| 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 | 40.5 | Very low | 54.2 | Low | 244 Ų | 244 | 149.6 Ų | 149.6 | 100% | 1.202 | 84% | 0.842 | S | S | * | * | 0 | 162.1 | 0 | -77.5 | -175.4 | 172.1 | 0 | 0 | 108.8 | |||||
| 2 | A | 42.9 | Very low | 55.3 | Low | 110 Ų | 110 | 150.9 Ų | 150.9 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | trans | 61.4 | 144.6 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 3 | G | 42.9 | Very low | 55.7 | Low | 68 Ų | 68 | 148.5 Ų | 148.5 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | cis | 165.7 | 66.2 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K5 | G3-K5 PolarHBondContact O-N 3.39Š| ||
| 4 | V | 49.3 | Very low | 56.4 | Low | 133 Ų | 133 | 149.4 Ų | 149.4 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | trans | -70.4 | 119.1 | -171 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | K6 | V4-K6 HydrophobicContact CG1-CG 4.37Š| ||
| 5 | K | 56.9 | Low | 56.4 | Low | 183 Ų | 183 | 151.3 Ų | 151.3 | 80% | 0.796 | 82% | 0.819 | S | S | * | * | trans | -114.3 | 115.2 | 160.2 | -78 | -176.2 | 175.3 | 178.9 | 0 | 109.2 | G3 | G3-K5 PolarHBondContact O-N 3.39Š| ||
| 6 | K | 58 | Low | 56.7 | Low | 195 Ų | 195 | 152.1 Ų | 152.1 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | -98.6 | 130.3 | 162.6 | -73.5 | -171.8 | 176 | -175 | 0 | 108.2 | V4 S8 | V4-K6 HydrophobicContact CG1-CG 4.37Å; K6-S8 PolarHBondContact O-N 3.33Å | ||
| 7 | H | 57.2 | Low | 56.8 | Low | 175 Ų | 175 | 152.1 Ų | 152.1 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -83.5 | 109.6 | 178.1 | -57.8 | -76.6 | 0 | 0 | 0 | 109.8 | G9 | H7-G9 PolarHBondContact O-N 3.46Š| ||
| 8 | S | 50.4 | Low | 56.9 | Low | 119 Ų | 119 | 148.9 Ų | 148.9 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -86.5 | 88.6 | 169.7 | -166.1 | 0 | 0 | 0 | 0 | 109.1 | K6 I10 | K6-S8 PolarHBondContact O-N 3.33Å; S8-I10 PolarHBondContact O-N 3.02Å | ||
| 9 | G | 61.4 | Low | 56.9 | Low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -81.2 | 102.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | H7 K11 | H7-G9 PolarHBondContact O-N 3.46Å; G9-K11 PolarHBondContact O-N 3.34Å | ||
| 10 | I | 64.6 | Low | 57.1 | Low | 151 Ų | 151 | 141.9 Ų | 141.9 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 116.7 | 168.2 | -56.5 | 174.7 | 0 | 0 | 0 | 107.4 | S8 L12 | S8-I10 PolarHBondContact O-N 3.02Å; I10-L12 PolarHBondContact O-N 2.93Å |
| 11 | K | 71.7 | Confident | 57.1 | Low | 198 Ų | 198 | 144.5 Ų | 144.5 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 118.6 | 169.5 | -69.4 | -172.9 | 176.8 | -173.7 | 0 | 108.6 | G9 | G9-K11 PolarHBondContact O-N 3.34Š|
| 12 | L | 67.8 | Low | 58.7 | Low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129.5 | 161.5 | -66.5 | 169.2 | 0 | 0 | 0 | 107.6 | I10 | I10-L12 PolarHBondContact O-N 2.93Š|
| 13 | L | 61.1 | Low | 60.3 | Low | 119 Ų | 119 | 135.3 Ų | 135.3 | 62% | 0.623 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -74 | 142.9 | 166.2 | -76 | 155.6 | 0 | 0 | 0 | 108.4 | E17 | L13-E17 WeakPolarHBondContact CD2-OE2 3.38Š|
| 14 | E | 64.4 | Low | 61.8 | Low | 161 Ų | 161 | 140.5 Ų | 140.5 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 140.7 | 172.1 | -69.3 | -179.7 | 128.1 | 0 | 0 | 109.4 | D16 E17 | E14-D16 PolarHBondContact O-N 3.38Å; E14-E17 PolarHBondContact O-N 3.13Å; E14-E17 VanDerWaalsContact O-N 3.13Å |
| 15 | F | 56.4 | Low | 63 | Low | 178 Ų | 178 | 135.3 Ų | 135.3 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -64.5 | -16.9 | -167.9 | -78.8 | -91.2 | 0 | 0 | 0 | 113.9 | L18 | F15-L18 HydrophobicContact CD1-CD1 3.9Å; F15-L18 HydrophobicContact CE1-CD1 4.47Å; F15-L18 PolarHBondContact O-N 3.49Å |
| 16 | D | 61.5 | Low | 64.2 | Low | 165 Ų | 165 | 134.7 Ų | 134.7 | 88% | 0.882 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -77.2 | -16.1 | 178.5 | -62 | -51.2 | 0 | 0 | 0 | 114 | E14 | E14-D16 PolarHBondContact O-N 3.38Š|
| 17 | E | 59 | Low | 65.3 | Low | 152 Ų | 152 | 131.6 Ų | 131.6 | 71% | 0.71 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -84.6 | -7.8 | 172.1 | -72.5 | -157.8 | 130.5 | 0 | 0 | 113.5 | L13 E14 | L13-E17 WeakPolarHBondContact CD2-OE2 3.38Å; E14-E17 PolarHBondContact O-N 3.13Å; E14-E17 VanDerWaalsContact O-N 3.13Å |
| 18 | L | 58.1 | Low | 66.5 | Low | 95 Ų | 95 | 128.5 Ų | 128.5 | 50% | 0.497 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -72.2 | 134.6 | 178.5 | -67.4 | 176.6 | 0 | 0 | 0 | 110.8 | F15 A20 | F15-L18 HydrophobicContact CD1-CD1 3.9Å; F15-L18 HydrophobicContact CE1-CD1 4.47Å; F15-L18 PolarHBondContact O-N 3.49Å; L18-A20 PolarHBondContact O-N 3.29Å |
| 19 | P | 57.5 | Low | 68.1 | Low | 96 Ų | 96 | 132.2 Ų | 132.2 | 62% | 0.623 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 116.8 | 177 | 25.6 | -33.6 | 0 | 0 | 0 | 109.3 | F21 | P19-F21 HydrophobicContact CG-CE2 4.08Å; P19-F21 WeakPolarHBondContact O-CD2 3.49Å; P19-F21 PolarHBondContact O-N 3.04Å |
| 20 | A | 59.7 | Low | 69.3 | Low | 61 Ų | 61 | 134.8 Ų | 134.8 | 50% | 0.504 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -53.9 | 130.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L18 A25 | L18-A20 PolarHBondContact O-N 3.29Å; A20-A25 HydrophobicContact CB-CB 3.95Å; A20-A25 WeakPolarHBondContact O-CB 3.48Å |
| 21 | F | 57.2 | Low | 70.4 | Confident | 196 Ų | 196 | 132.7 Ų | 132.7 | 86% | 0.86 | 66% | 0.66 | S | S | * | * | trans | -113.7 | 142.9 | 169.7 | -80.6 | -85.9 | 0 | 0 | 0 | 109.5 | P19 | P19-F21 HydrophobicContact CG-CE2 4.08Å; P19-F21 WeakPolarHBondContact O-CD2 3.49Å; P19-F21 PolarHBondContact O-N 3.04Å | ||
| 22 | G | 75.3 | Confident | 71.1 | Confident | 44 Ų | 44 | 130 Ų | 130 | 45% | 0.454 | 65% | 0.647 | S | S | . | * | S | Bend | trans | 104.2 | -166.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K24 A25 K26 | G22-K24 PolarHBondContact O-N 2.96Å; G22-A25 VanDerWaalsContact O-CB 3.28Å; G22-A25 WeakPolarHBondContact O-CB 3.47Å; G22-A25 PolarHBondContact O-N 3.17Å; G22-K26 PolarHBondContact O-N 3.1Å |
| 23 | P | 76 | Confident | 72 | Confident | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -58.1 | -41.1 | -169.3 | -28.4 | 36.4 | 0 | 0 | 0 | 115 | A25 K26 Q27 | P23-A25 VanDerWaalsContact C-N 3.25Å; P23-A25 PolarHBondContact O-N 2.88Å; P23-K26 WeakPolarHBondContact O-CB 3.49Å; P23-K26 PolarHBondContact O-N 3.48Å; P23-K26 VanDerWaalsContact O-N 3.11Å; P23-Q27 PolarHBondContact O-N 3.08Å; P23-Q27 VanDerWaalsContact O-N 3.09Å |
| 24 | K | 74.2 | Confident | 73.4 | Confident | 176 Ų | 176 | 129.7 Ų | 129.7 | 77% | 0.765 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -57.9 | -36.2 | 175.7 | -78.6 | -170 | 173.2 | -174.5 | 0 | 112.6 | G22 Q27 L28 | G22-K24 PolarHBondContact O-N 2.96Å; K24-Q27 PolarHBondContact O-N 3.13Å; K24-L28 WeakPolarHBondContact O-CB 3.28Å; K24-L28 PolarHBondContact O-N 3.46Å |
| 25 | A | 75.7 | Confident | 74.7 | Confident | 24 Ų | 24 | 128 Ų | 128 | 20% | 0.198 | 62% | 0.624 | C | S | . | * | H | α-helix | trans | -66.9 | -38 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A20 G22 P23 Q27 L28 R29 | A20-A25 HydrophobicContact CB-CB 3.95Å; A20-A25 WeakPolarHBondContact O-CB 3.48Å; G22-A25 VanDerWaalsContact O-CB 3.28Å; G22-A25 WeakPolarHBondContact O-CB 3.47Å; G22-A25 PolarHBondContact O-N 3.17Å; P23-A25 VanDerWaalsContact C-N 3.25Å; P23-A25 PolarHBondContact O-N 2.88Å; A25-Q27 VanDerWaalsContact C-N 3.33Å; A25-L28 PolarHBondContact O-N 2.84Å; A25-R29 WeakPolarHBondContact O-CB 3.25Å; A25-R29 PolarHBondContact O-N 2.95Å |
| 26 | K | 80.4 | Confident | 76.3 | Confident | 171 Ų | 171 | 123.4 Ų | 123.4 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.5 | -36.8 | 175.1 | -169 | 177.1 | -178.2 | 179.9 | 0 | 111.3 | G22 P23 K30 | G22-K26 PolarHBondContact O-N 3.1Å; P23-K26 WeakPolarHBondContact O-CB 3.49Å; P23-K26 PolarHBondContact O-N 3.48Å; P23-K26 VanDerWaalsContact O-N 3.11Å; K26-K30 WeakPolarHBondContact O-CB 3.28Å; K26-K30 PolarHBondContact O-N 3.4Å; K26-K30 VanDerWaalsContact O-N 3.16Å |
| 27 | Q | 82.3 | Confident | 77.8 | Confident | 130 Ų | 130 | 123.2 Ų | 123.2 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.2 | -54 | 172.3 | -179.1 | 171.6 | -10.1 | 0 | 0 | 111.4 | P23 K24 A25 R29 K30 E31 | P23-Q27 PolarHBondContact O-N 3.08Å; P23-Q27 VanDerWaalsContact O-N 3.09Å; K24-Q27 PolarHBondContact O-N 3.13Å; A25-Q27 VanDerWaalsContact C-N 3.33Å; Q27-R29 VanDerWaalsContact C-N 3.29Å; Q27-R29 PolarHBondContact O-N 2.97Å; Q27-K30 CarbonylContact O-C 3.57Å; Q27-K30 PolarHBondContact O-N 2.79Å; Q27-E31 WeakPolarHBondContact O-CB 3.49Å; Q27-E31 PolarHBondContact O-N 3.29Å |
| 28 | L | 82.1 | Confident | 79.3 | Confident | 109 Ų | 109 | 122.6 Ų | 122.6 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -58.1 | -38.7 | -180 | -175.1 | 65 | 0 | 0 | 0 | 112.4 | K24 A25 E31 K32 | K24-L28 WeakPolarHBondContact O-CB 3.28Å; K24-L28 PolarHBondContact O-N 3.46Å; A25-L28 PolarHBondContact O-N 2.84Å; L28-E31 PolarHBondContact O-N 2.98Å; L28-K32 WeakPolarHBondContact O-CB 3.42Å; L28-K32 PolarHBondContact O-N 3.34Å |
| 29 | R | 82.8 | Confident | 81 | Confident | 198 Ų | 198 | 124.8 Ų | 124.8 | 75% | 0.747 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.7 | -45.4 | 173.3 | -177.3 | 173.6 | 174.5 | 167.4 | -0.4 | 112.1 | A25 Q27 E31 E33 | A25-R29 WeakPolarHBondContact O-CB 3.25Å; A25-R29 PolarHBondContact O-N 2.95Å; Q27-R29 VanDerWaalsContact C-N 3.29Å; Q27-R29 PolarHBondContact O-N 2.97Å; R29-E31 VanDerWaalsContact C-N 3.28Å; R29-E31 PolarHBondContact O-N 3.3Å; R29-E33 WeakPolarHBondContact O-CB 3.43Å; R29-E33 PolarHBondContact O-N 2.93Å |
| 30 | K | 88.5 | Confident | 82.7 | Confident | 123 Ų | 123 | 125.5 Ų | 125.5 | 54% | 0.535 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.4 | -27.6 | 178 | -169.9 | 177.4 | -177.6 | 177.8 | 0 | 112.4 | K26 Q27 R34 | K26-K30 WeakPolarHBondContact O-CB 3.28Å; K26-K30 PolarHBondContact O-N 3.4Å; K26-K30 VanDerWaalsContact O-N 3.16Å; Q27-K30 CarbonylContact O-C 3.57Å; Q27-K30 PolarHBondContact O-N 2.79Å; K30-R34 WeakPolarHBondContact O-CG 3.33Å; K30-R34 PolarHBondContact O-N 2.97Å |
| 31 | E | 86.6 | Confident | 84.4 | Confident | 108 Ų | 108 | 130.1 Ų | 130.1 | 51% | 0.505 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.2 | -51.8 | 174.5 | -174.5 | 157.4 | -145.4 | 0 | 0 | 111.3 | Q27 L28 R29 E33 R34 E35 | Q27-E31 WeakPolarHBondContact O-CB 3.49Å; Q27-E31 PolarHBondContact O-N 3.29Å; L28-E31 PolarHBondContact O-N 2.98Å; R29-E31 VanDerWaalsContact C-N 3.28Å; R29-E31 PolarHBondContact O-N 3.3Å; E31-E33 PolarHBondContact O-N 3.15Å; E31-R34 WeakPolarHBondContact O-CA 3.38Å; E31-R34 WeakPolarHBondContact O-CB 3.36Å; E31-R34 PolarHBondContact O-N 3.26Å; E31-E35 PolarHBondContact O-N 3.49Å |
| 32 | K | 85.7 | Confident | 86.2 | Confident | 140 Ų | 140 | 126.8 Ų | 126.8 | 61% | 0.609 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.3 | -32.5 | 173.8 | -169 | 167.7 | -173.7 | 167.3 | 0 | 113.1 | L28 T36 | L28-K32 WeakPolarHBondContact O-CB 3.42Å; L28-K32 PolarHBondContact O-N 3.34Å; K32-T36 WeakPolarHBondContact O-CG2 3.4Å; K32-T36 PolarHBondContact O-N 3.04Å; K32-T36 PolarHBondContact O-OG1 2.86Å |
| 33 | E | 88.2 | Confident | 87 | Confident | 124 Ų | 124 | 128.6 Ų | 128.6 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.1 | -37 | 173 | -172.2 | -179.4 | 164.5 | 0 | 0 | 113 | R29 E31 T36 K37 | R29-E33 WeakPolarHBondContact O-CB 3.43Å; R29-E33 PolarHBondContact O-N 2.93Å; E31-E33 PolarHBondContact O-N 3.15Å; E33-T36 PolarHBondContact O-OG1 3.34Å; E33-K37 VanDerWaalsContact O-CB 3.29Å; E33-K37 WeakPolarHBondContact O-CB 3.45Å; E33-K37 PolarHBondContact O-N 3.25Å; E33-K37 VanDerWaalsContact O-N 3.09Å |
| 34 | R | 90.8 | Very high | 87.9 | Confident | 154 Ų | 154 | 130.6 Ų | 130.6 | 58% | 0.581 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.3 | -41.4 | 171.5 | -73.1 | -173.3 | -168 | 107.7 | -23.3 | 111.6 | K30 E31 K37 M38 | K30-R34 WeakPolarHBondContact O-CG 3.33Å; K30-R34 PolarHBondContact O-N 2.97Å; E31-R34 WeakPolarHBondContact O-CA 3.38Å; E31-R34 WeakPolarHBondContact O-CB 3.36Å; E31-R34 PolarHBondContact O-N 3.26Å; R34-K37 PolarHBondContact O-N 3.45Å; R34-M38 WeakPolarHBondContact O-CB 3.43Å; R34-M38 PolarHBondContact O-N 3.4Å |
| 35 | E | 90.2 | Very high | 88.8 | Confident | 125 Ų | 125 | 127.1 Ų | 127.1 | 58% | 0.584 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.5 | -50.4 | 177.9 | -169.7 | -162.4 | 169 | 0 | 0 | 111 | E31 K37 M38 K39 | E31-E35 PolarHBondContact O-N 3.49Å; E35-K37 PolarHBondContact O-N 2.86Å; E35-M38 PolarHBondContact O-N 3.34Å; E35-K39 WeakPolarHBondContact O-CB 3.35Å; E35-K39 PolarHBondContact O-N 2.99Å |
| 36 | T | 90.2 | Very high | 89.7 | Confident | 82 Ų | 82 | 131.4 Ų | 131.4 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.1 | -37.7 | 177.5 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | K32 E33 K39 L40 | K32-T36 WeakPolarHBondContact O-CG2 3.4Å; K32-T36 PolarHBondContact O-N 3.04Å; K32-T36 PolarHBondContact O-OG1 2.86Å; E33-T36 PolarHBondContact O-OG1 3.34Å; T36-K39 PolarHBondContact O-N 3.42Å; T36-L40 VanDerWaalsContact O-CB 3.28Å; T36-L40 WeakPolarHBondContact O-CB 3.39Å; T36-L40 PolarHBondContact O-N 3.44Å |
| 37 | K | 92.7 | Very high | 90.3 | Very high | 162 Ų | 162 | 129.5 Ų | 129.5 | 70% | 0.704 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.9 | -39 | 174.7 | -170.9 | 174.7 | -177.7 | 178.9 | 0 | 112.5 | E33 R34 E35 K41 | E33-K37 VanDerWaalsContact O-CB 3.29Å; E33-K37 WeakPolarHBondContact O-CB 3.45Å; E33-K37 PolarHBondContact O-N 3.25Å; E33-K37 VanDerWaalsContact O-N 3.09Å; R34-K37 PolarHBondContact O-N 3.45Å; E35-K37 PolarHBondContact O-N 2.86Å; K37-K41 PolarHBondContact O-N 3.43Å |
| 38 | M | 92.3 | Very high | 90.9 | Very high | 139 Ų | 139 | 126.1 Ų | 126.1 | 69% | 0.685 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.2 | -47.7 | 175.6 | -174.4 | -177.9 | -68.6 | 0 | 0 | 110.9 | R34 E35 L40 K41 Q42 | R34-M38 WeakPolarHBondContact O-CB 3.43Å; R34-M38 PolarHBondContact O-N 3.4Å; E35-M38 PolarHBondContact O-N 3.34Å; M38-L40 VanDerWaalsContact C-N 3.32Å; M38-L40 PolarHBondContact O-N 3.18Å; M38-K41 WeakPolarHBondContact O-CB 3.44Å; M38-K41 PolarHBondContact O-N 2.86Å; M38-K41 VanDerWaalsContact O-N 3.13Å; M38-Q42 PolarHBondContact O-N 2.88Å |
| 39 | K | 93.5 | Very high | 91.5 | Very high | 141 Ų | 141 | 128.1 Ų | 128.1 | 61% | 0.613 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.4 | -39.9 | 176.6 | -171.7 | 168.4 | -175.6 | 167.6 | 0 | 112.4 | E35 T36 Q42 E43 | E35-K39 WeakPolarHBondContact O-CB 3.35Å; E35-K39 PolarHBondContact O-N 2.99Å; T36-K39 PolarHBondContact O-N 3.42Å; K39-Q42 PolarHBondContact O-N 3.41Å; K39-E43 WeakPolarHBondContact O-CB 3.33Å; K39-E43 PolarHBondContact O-N 3.07Å |
| 40 | L | 93.4 | Very high | 92 | Very high | 110 Ų | 110 | 124.2 Ų | 124.2 | 58% | 0.576 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.8 | -35.1 | 174.9 | -176.2 | 62.8 | 0 | 0 | 0 | 112.7 | T36 M38 K44 | T36-L40 VanDerWaalsContact O-CB 3.28Å; T36-L40 WeakPolarHBondContact O-CB 3.39Å; T36-L40 PolarHBondContact O-N 3.44Å; M38-L40 VanDerWaalsContact C-N 3.32Å; M38-L40 PolarHBondContact O-N 3.18Å; L40-K44 WeakPolarHBondContact O-CB 3.27Å; L40-K44 PolarHBondContact O-N 3.16Å |
| 41 | K | 94.3 | Very high | 92.2 | Very high | 158 Ų | 158 | 122.1 Ų | 122.1 | 69% | 0.687 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.2 | -47.2 | 171.2 | -173.9 | -176.7 | 176.3 | -175.4 | 0 | 110.4 | K37 M38 K44 E45 | K37-K41 PolarHBondContact O-N 3.43Å; M38-K41 WeakPolarHBondContact O-CB 3.44Å; M38-K41 PolarHBondContact O-N 2.86Å; M38-K41 VanDerWaalsContact O-N 3.13Å; K41-K44 PolarHBondContact O-N 3.21Å; K41-E45 PolarHBondContact O-N 2.81Å |
| 42 | Q | 94.4 | Very high | 92.6 | Very high | 127 Ų | 127 | 124.7 Ų | 124.7 | 59% | 0.593 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61 | -47.4 | 179 | -172.7 | 177.3 | 4 | 0 | 0 | 112 | M38 K39 K44 E45 E46 | M38-Q42 PolarHBondContact O-N 2.88Å; K39-Q42 PolarHBondContact O-N 3.41Å; Q42-K44 VanDerWaalsContact C-N 3.32Å; Q42-K44 PolarHBondContact O-N 2.87Å; Q42-E45 PolarHBondContact O-N 2.98Å; Q42-E46 WeakPolarHBondContact O-CB 3.45Å; Q42-E46 PolarHBondContact O-N 3.06Å |
| 43 | E | 93.2 | Very high | 93.1 | Very high | 81 Ų | 81 | 120.6 Ų | 120.6 | 38% | 0.379 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62 | -37.7 | 176.7 | -167.6 | -160.7 | 124.1 | 0 | 0 | 112.1 | K39 R47 | K39-E43 WeakPolarHBondContact O-CB 3.33Å; K39-E43 PolarHBondContact O-N 3.07Å; E43-R47 WeakPolarHBondContact O-CB 3.49Å; E43-R47 PolarHBondContact O-N 3.1Å; E43-R47 IonicContact OE1-CZ 3.52Å; E43-R47 IonicContact OE1-NH1 3.18Å; E43-R47 PolarHBondContact OE1-NH1 3.48Å; E43-R47 IonicContact OE1-NH2 2.62Å; E43-R47 PolarHBondContact OE1-NH2 3.21Å |
| 44 | K | 94.5 | Very high | 93.4 | Very high | 160 Ų | 160 | 117.1 Ų | 117.1 | 70% | 0.696 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.2 | -40.5 | 175.7 | -172.5 | -175.3 | 177.3 | -170.2 | 0 | 111.7 | L40 K41 Q42 A48 | L40-K44 WeakPolarHBondContact O-CB 3.27Å; L40-K44 PolarHBondContact O-N 3.16Å; K41-K44 PolarHBondContact O-N 3.21Å; Q42-K44 VanDerWaalsContact C-N 3.32Å; Q42-K44 PolarHBondContact O-N 2.87Å; K44-A48 WeakPolarHBondContact O-CB 3.49Å; K44-A48 PolarHBondContact O-N 3.28Å |
| 45 | E | 93.2 | Very high | 93.7 | Very high | 103 Ų | 103 | 118.1 Ų | 118.1 | 48% | 0.481 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.2 | -44.4 | 177.6 | -164.1 | -162.2 | 126.6 | 0 | 0 | 111.7 | K41 Q42 R47 A48 R49 | K41-E45 PolarHBondContact O-N 2.81Å; Q42-E45 PolarHBondContact O-N 2.98Å; E45-R47 PolarHBondContact O-N 3.22Å; E45-A48 WeakPolarHBondContact O-CB 3.32Å; E45-A48 PolarHBondContact O-N 3.21Å; E45-A48 VanDerWaalsContact O-N 3.13Å; E45-R49 WeakPolarHBondContact O-CB 3.41Å; E45-R49 PolarHBondContact O-N 3.32Å; E45-R49 IonicContact OE1-CZ 3.41Å; E45-R49 IonicContact OE1-NH2 3.79Å; E45-R49 PolarHBondContact OE1-NH2 3.41Å |
| 46 | E | 93.6 | Very high | 93.9 | Very high | 114 Ų | 114 | 117.9 Ų | 117.9 | 53% | 0.533 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.4 | -47.3 | 175.6 | -176 | 170.4 | -155.7 | 0 | 0 | 111.4 | Q42 A48 R49 E50 | Q42-E46 WeakPolarHBondContact O-CB 3.45Å; Q42-E46 PolarHBondContact O-N 3.06Å; E46-A48 VanDerWaalsContact C-N 3.29Å; E46-A48 PolarHBondContact O-N 3.32Å; E46-R49 WeakPolarHBondContact O-CB 3.29Å; E46-R49 PolarHBondContact O-N 3.42Å; E46-R49 VanDerWaalsContact O-N 3.13Å; E46-E50 WeakPolarHBondContact O-CB 3.41Å; E46-E50 PolarHBondContact O-N 2.77Å |
| 47 | R | 93.7 | Very high | 94.1 | Very high | 131 Ų | 131 | 116.7 Ų | 116.7 | 49% | 0.494 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.4 | -33.4 | 174 | -177.8 | 175.4 | -69.7 | 120.6 | 2.6 | 113 | E43 E45 N51 | E43-R47 WeakPolarHBondContact O-CB 3.49Å; E43-R47 PolarHBondContact O-N 3.1Å; E43-R47 IonicContact OE1-CZ 3.52Å; E43-R47 IonicContact OE1-NH1 3.18Å; E43-R47 PolarHBondContact OE1-NH1 3.48Å; E43-R47 IonicContact OE1-NH2 2.62Å; E43-R47 PolarHBondContact OE1-NH2 3.21Å; E45-R47 PolarHBondContact O-N 3.22Å; R47-N51 WeakPolarHBondContact O-CB 3.31Å; R47-N51 PolarHBondContact O-N 2.89Å |
| 48 | A | 94.5 | Very high | 94.1 | Very high | 60 Ų | 60 | 112.1 Ų | 112.1 | 50% | 0.496 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.3 | -40.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K44 E45 E46 N51 K52 | K44-A48 WeakPolarHBondContact O-CB 3.49Å; K44-A48 PolarHBondContact O-N 3.28Å; E45-A48 WeakPolarHBondContact O-CB 3.32Å; E45-A48 PolarHBondContact O-N 3.21Å; E45-A48 VanDerWaalsContact O-N 3.13Å; E46-A48 VanDerWaalsContact C-N 3.29Å; E46-A48 PolarHBondContact O-N 3.32Å; A48-N51 PolarHBondContact O-N 3.46Å; A48-K52 PolarHBondContact O-N 3.15Å |
| 49 | R | 95 | Very high | 94.3 | Very high | 150 Ų | 150 | 113.4 Ų | 113.4 | 57% | 0.566 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 176.3 | -156.9 | -174.4 | -59 | 146.4 | -2.2 | 111.6 | E45 E46 K52 A53 | E45-R49 WeakPolarHBondContact O-CB 3.41Å; E45-R49 PolarHBondContact O-N 3.32Å; E45-R49 IonicContact OE1-CZ 3.41Å; E45-R49 IonicContact OE1-NH2 3.79Å; E45-R49 PolarHBondContact OE1-NH2 3.41Å; E46-R49 WeakPolarHBondContact O-CB 3.29Å; E46-R49 PolarHBondContact O-N 3.42Å; E46-R49 VanDerWaalsContact O-N 3.13Å; R49-K52 PolarHBondContact O-N 3.17Å; R49-A53 PolarHBondContact O-N 3.02Å |
| 50 | E | 93.7 | Very high | 94.4 | Very high | 116 Ų | 116 | 111 Ų | 111 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 172.9 | -174.7 | -171.6 | -161.1 | 0 | 0 | 111.3 | E46 K52 A53 A54 | E46-E50 WeakPolarHBondContact O-CB 3.41Å; E46-E50 PolarHBondContact O-N 2.77Å; E50-K52 VanDerWaalsContact C-N 3.33Å; E50-K52 PolarHBondContact O-N 2.79Å; E50-A53 PolarHBondContact O-N 2.92Å; E50-A54 WeakPolarHBondContact O-CB 3.39Å; E50-A54 PolarHBondContact O-N 3.33Å |
| 51 | N | 92.9 | Very high | 94.5 | Very high | 79 Ų | 79 | 108.3 Ų | 108.3 | 42% | 0.422 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 178.2 | -158.2 | -55.5 | 0 | 0 | 0 | 112 | R47 A48 R55 | R47-N51 WeakPolarHBondContact O-CB 3.31Å; R47-N51 PolarHBondContact O-N 2.89Å; A48-N51 PolarHBondContact O-N 3.46Å; N51-R55 VanDerWaalsContact O-CG 3.25Å; N51-R55 WeakPolarHBondContact O-CG 3.32Å; N51-R55 PolarHBondContact O-N 2.89Å; N51-R55 VanDerWaalsContact O-N 3.16Å; N51-R55 PolarHBondContact OD1-NE 2.83Å; N51-R55 PolarHBondContact OD1-NH2 3Å |
| 52 | K | 95.5 | Very high | 94.5 | Very high | 163 Ų | 163 | 109.5 Ų | 109.5 | 71% | 0.709 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64 | -48.2 | 173.2 | -170.3 | 175.4 | -179.6 | 177.6 | 0 | 111.2 | A48 R49 E50 R55 E56 | A48-K52 PolarHBondContact O-N 3.15Å; R49-K52 PolarHBondContact O-N 3.17Å; E50-K52 VanDerWaalsContact C-N 3.33Å; E50-K52 PolarHBondContact O-N 2.79Å; K52-R55 PolarHBondContact O-N 3.31Å; K52-E56 PolarHBondContact O-N 2.76Å; K52-E56 VanDerWaalsContact O-N 3.1Å |
| 53 | A | 95.7 | Very high | 94.6 | Very high | 53 Ų | 53 | 108.3 Ų | 108.3 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R49 E50 R55 E56 A57 | R49-A53 PolarHBondContact O-N 3.02Å; E50-A53 PolarHBondContact O-N 2.92Å; A53-R55 VanDerWaalsContact C-N 3.32Å; A53-R55 PolarHBondContact O-N 2.97Å; A53-E56 PolarHBondContact O-N 3.25Å; A53-A57 WeakPolarHBondContact O-CB 3.26Å; A53-A57 PolarHBondContact O-N 3.39Å |
| 54 | A | 94.8 | Very high | 94.6 | Very high | 52 Ų | 52 | 107.8 Ų | 107.8 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -35 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E50 S58 | E50-A54 WeakPolarHBondContact O-CB 3.39Å; E50-A54 PolarHBondContact O-N 3.33Å; A54-S58 VanDerWaalsContact O-CB 3.27Å; A54-S58 WeakPolarHBondContact O-CB 3.49Å; A54-S58 PolarHBondContact O-N 2.89Å; A54-S58 PolarHBondContact O-OG 3.37Å |
| 55 | R | 96.2 | Very high | 94.6 | Very high | 175 Ų | 175 | 106.7 Ų | 106.7 | 66% | 0.66 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68 | -41.4 | 172.5 | -70.8 | 170.7 | -165 | -153.1 | 2.9 | 112 | N51 K52 A53 S58 R59 | N51-R55 VanDerWaalsContact O-CG 3.25Å; N51-R55 WeakPolarHBondContact O-CG 3.32Å; N51-R55 PolarHBondContact O-N 2.89Å; N51-R55 VanDerWaalsContact O-N 3.16Å; N51-R55 PolarHBondContact OD1-NE 2.83Å; N51-R55 PolarHBondContact OD1-NH2 3Å; K52-R55 PolarHBondContact O-N 3.31Å; A53-R55 VanDerWaalsContact C-N 3.32Å; A53-R55 PolarHBondContact O-N 2.97Å; R55-S58 PolarHBondContact O-N 3.03Å; R55-R59 PolarHBondContact O-N 3.44Å |
| 56 | E | 94.6 | Very high | 94.7 | Very high | 120 Ų | 120 | 111 Ų | 111 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.6 | -50.6 | 176.3 | -170.9 | -173.3 | 171.8 | 0 | 0 | 111.3 | K52 A53 S58 R59 L60 | K52-E56 PolarHBondContact O-N 2.76Å; K52-E56 VanDerWaalsContact O-N 3.1Å; A53-E56 PolarHBondContact O-N 3.25Å; E56-S58 VanDerWaalsContact C-N 3.26Å; E56-S58 PolarHBondContact O-N 3.29Å; E56-R59 WeakPolarHBondContact O-CA 3.34Å; E56-R59 VanDerWaalsContact O-CB 3.31Å; E56-R59 WeakPolarHBondContact O-CB 3.47Å; E56-R59 PolarHBondContact O-N 2.99Å; E56-L60 HydrophobicContact CG-CD1 4.28Å; E56-L60 PolarHBondContact O-N 3.47Å |
| 57 | A | 94 | Very high | 94.6 | Very high | 57 Ų | 57 | 110.9 Ų | 110.9 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -56.7 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A53 R59 L60 A61 | A53-A57 WeakPolarHBondContact O-CB 3.26Å; A53-A57 PolarHBondContact O-N 3.39Å; A57-R59 VanDerWaalsContact C-N 3.3Å; A57-R59 PolarHBondContact O-N 2.86Å; A57-L60 PolarHBondContact O-N 3.32Å; A57-A61 VanDerWaalsContact O-CB 3.29Å; A57-A61 WeakPolarHBondContact O-CB 3.32Å; A57-A61 PolarHBondContact O-N 3.41Å |
| 58 | S | 93.8 | Very high | 94.6 | Very high | 66 Ų | 66 | 107.2 Ų | 107.2 | 46% | 0.462 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -30.1 | 173.2 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | A54 R55 E56 R62 | A54-S58 VanDerWaalsContact O-CB 3.27Å; A54-S58 WeakPolarHBondContact O-CB 3.49Å; A54-S58 PolarHBondContact O-N 2.89Å; A54-S58 PolarHBondContact O-OG 3.37Å; R55-S58 PolarHBondContact O-N 3.03Å; E56-S58 VanDerWaalsContact C-N 3.26Å; E56-S58 PolarHBondContact O-N 3.29Å; S58-R62 WeakPolarHBondContact O-CD 3.5Å; S58-R62 VanDerWaalsContact O-CG 3.32Å; S58-R62 WeakPolarHBondContact O-CG 3.36Å; S58-R62 PolarHBondContact O-N 3.22Å |
| 59 | R | 96.3 | Very high | 94.5 | Very high | 165 Ų | 165 | 110.4 Ų | 110.4 | 62% | 0.623 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.7 | -46.3 | 174.2 | -161.4 | -176.6 | 87.7 | 161.7 | 1.3 | 110.8 | R55 E56 A57 R62 Q63 | R55-R59 PolarHBondContact O-N 3.44Å; E56-R59 WeakPolarHBondContact O-CA 3.34Å; E56-R59 VanDerWaalsContact O-CB 3.31Å; E56-R59 WeakPolarHBondContact O-CB 3.47Å; E56-R59 PolarHBondContact O-N 2.99Å; A57-R59 VanDerWaalsContact C-N 3.3Å; A57-R59 PolarHBondContact O-N 2.86Å; R59-R62 PolarHBondContact O-N 2.85Å; R59-Q63 WeakPolarHBondContact O-CG 3.34Å; R59-Q63 PolarHBondContact O-N 3.11Å |
| 60 | L | 95.1 | Very high | 94.2 | Very high | 90 Ų | 90 | 108.3 Ų | 108.3 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 178.1 | -67 | 173.1 | 0 | 0 | 0 | 111.5 | E56 A57 R62 Q63 S64 | E56-L60 HydrophobicContact CG-CD1 4.28Å; E56-L60 PolarHBondContact O-N 3.47Å; A57-L60 PolarHBondContact O-N 3.32Å; L60-R62 VanDerWaalsContact C-N 3.32Å; L60-R62 PolarHBondContact O-N 3.33Å; L60-Q63 CarbonylContact O-C 3.58Å; L60-Q63 WeakPolarHBondContact O-CA 3.41Å; L60-Q63 WeakPolarHBondContact O-CB 3.37Å; L60-Q63 PolarHBondContact O-N 3.14Å; L60-S64 PolarHBondContact O-N 3.38Å; L60-S64 PolarHBondContact O-OG 3.23Å |
| 61 | A | 94.8 | Very high | 94 | Very high | 54 Ų | 54 | 107.5 Ų | 107.5 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56.6 | -43.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A57 Q63 S64 E65 | A57-A61 VanDerWaalsContact O-CB 3.29Å; A57-A61 WeakPolarHBondContact O-CB 3.32Å; A57-A61 PolarHBondContact O-N 3.41Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; A61-S64 WeakPolarHBondContact CA-OG 3.47Å; A61-S64 PolarHBondContact O-N 2.89Å; A61-S64 PolarHBondContact O-OG 3.29Å; A61-E65 WeakPolarHBondContact O-CB 3.23Å; A61-E65 PolarHBondContact O-N 3.41Å |
| 62 | R | 95.3 | Very high | 93.8 | Very high | 184 Ų | 184 | 106 Ų | 106 | 69% | 0.694 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.5 | -29.8 | 174.9 | -71.2 | 174.6 | -179.6 | -173.1 | 1.3 | 113.1 | S58 R59 L60 R66 | S58-R62 WeakPolarHBondContact O-CD 3.5Å; S58-R62 VanDerWaalsContact O-CG 3.32Å; S58-R62 WeakPolarHBondContact O-CG 3.36Å; S58-R62 PolarHBondContact O-N 3.22Å; R59-R62 PolarHBondContact O-N 2.85Å; L60-R62 VanDerWaalsContact C-N 3.32Å; L60-R62 PolarHBondContact O-N 3.33Å; R62-R66 WeakPolarHBondContact O-CB 3.47Å; R62-R66 PolarHBondContact O-N 3.08Å; R62-R66 VanDerWaalsContact O-N 3.16Å |
| 63 | Q | 95.8 | Very high | 93.4 | Very high | 101 Ų | 101 | 106.7 Ų | 106.7 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.8 | -44 | 173.4 | -72.3 | 178 | -63.5 | 0 | 0 | 111 | R59 L60 A61 R66 Q67 | R59-Q63 WeakPolarHBondContact O-CG 3.34Å; R59-Q63 PolarHBondContact O-N 3.11Å; L60-Q63 CarbonylContact O-C 3.58Å; L60-Q63 WeakPolarHBondContact O-CA 3.41Å; L60-Q63 WeakPolarHBondContact O-CB 3.37Å; L60-Q63 PolarHBondContact O-N 3.14Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-R66 PolarHBondContact O-N 3.43Å; Q63-Q67 PolarHBondContact O-N 3.24Å |
| 64 | S | 94.9 | Very high | 92.9 | Very high | 70 Ų | 70 | 113.3 Ų | 113.3 | 49% | 0.49 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -38 | 174.9 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | L60 A61 R66 Q67 A68 | L60-S64 PolarHBondContact O-N 3.38Å; L60-S64 PolarHBondContact O-OG 3.23Å; A61-S64 WeakPolarHBondContact CA-OG 3.47Å; A61-S64 PolarHBondContact O-N 2.89Å; A61-S64 PolarHBondContact O-OG 3.29Å; S64-R66 VanDerWaalsContact C-N 3.35Å; S64-R66 PolarHBondContact O-N 2.87Å; S64-Q67 PolarHBondContact O-N 3.14Å; S64-A68 WeakPolarHBondContact O-CB 3.45Å; S64-A68 PolarHBondContact O-N 2.92Å |
| 65 | E | 93.7 | Very high | 92.1 | Very high | 138 Ų | 138 | 117.3 Ų | 117.3 | 65% | 0.645 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.6 | -44.7 | 173.3 | -178.5 | -178.2 | -160 | 0 | 0 | 111.1 | A61 Q67 A68 L69 | A61-E65 WeakPolarHBondContact O-CB 3.23Å; A61-E65 PolarHBondContact O-N 3.41Å; E65-Q67 VanDerWaalsContact C-N 3.34Å; E65-Q67 PolarHBondContact O-N 3.28Å; E65-A68 PolarHBondContact O-N 2.95Å; E65-L69 WeakPolarHBondContact O-CB 3.37Å; E65-L69 PolarHBondContact O-N 3.3Å |
| 66 | R | 94.7 | Very high | 91 | Very high | 192 Ų | 192 | 114.8 Ų | 114.8 | 73% | 0.725 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.5 | -35.8 | 175.8 | -173.7 | 176.8 | -180 | -176.1 | -0.6 | 112.6 | R62 Q63 S64 L70 | R62-R66 WeakPolarHBondContact O-CB 3.47Å; R62-R66 PolarHBondContact O-N 3.08Å; R62-R66 VanDerWaalsContact O-N 3.16Å; Q63-R66 PolarHBondContact O-N 3.43Å; S64-R66 VanDerWaalsContact C-N 3.35Å; S64-R66 PolarHBondContact O-N 2.87Å; R66-L70 WeakPolarHBondContact O-CG 3.27Å; R66-L70 PolarHBondContact O-N 3.21Å |
| 67 | Q | 92.8 | Very high | 89.3 | Confident | 113 Ų | 113 | 115.6 Ų | 115.6 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.7 | -49.9 | 174.1 | 178.8 | 175.6 | -17 | 0 | 0 | 111.3 | Q63 S64 E65 L69 L70 E71 | Q63-Q67 PolarHBondContact O-N 3.24Å; S64-Q67 PolarHBondContact O-N 3.14Å; E65-Q67 VanDerWaalsContact C-N 3.34Å; E65-Q67 PolarHBondContact O-N 3.28Å; Q67-L69 PolarHBondContact O-N 3.09Å; Q67-L70 WeakPolarHBondContact O-CA 3.46Å; Q67-L70 WeakPolarHBondContact O-CB 3.29Å; Q67-L70 PolarHBondContact O-N 2.89Å; Q67-E71 VanDerWaalsContact CG-OE1 3.28Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.4Å; Q67-E71 PolarHBondContact NE2-OE1 2.73Å; Q67-E71 PolarHBondContact O-N 3.29Å |
| 68 | A | 92.3 | Very high | 87.6 | Confident | 54 Ų | 54 | 117.4 Ų | 117.4 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -57.9 | -37.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S64 E65 E71 A72 | S64-A68 WeakPolarHBondContact O-CB 3.45Å; S64-A68 PolarHBondContact O-N 2.92Å; E65-A68 PolarHBondContact O-N 2.95Å; A68-E71 PolarHBondContact O-N 3.03Å; A68-A72 VanDerWaalsContact O-CB 3.28Å; A68-A72 WeakPolarHBondContact O-CB 3.37Å; A68-A72 PolarHBondContact O-N 3.03Å |
| 69 | L | 92.2 | Very high | 85.7 | Confident | 126 Ų | 126 | 121.3 Ų | 121.3 | 66% | 0.66 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.2 | -36.6 | 174.3 | -174.7 | 64.1 | 0 | 0 | 0 | 113 | E65 Q67 R73 | E65-L69 WeakPolarHBondContact O-CB 3.37Å; E65-L69 PolarHBondContact O-N 3.3Å; Q67-L69 PolarHBondContact O-N 3.09Å; L69-R73 WeakPolarHBondContact O-CB 3.47Å; L69-R73 PolarHBondContact O-N 2.92Å |
| 70 | L | 90.1 | Very high | 83.3 | Confident | 106 Ų | 106 | 117.7 Ų | 117.7 | 56% | 0.555 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70 | -41 | 174.8 | -71.2 | 169.2 | 0 | 0 | 0 | 111.5 | R66 Q67 R73 R74 | R66-L70 WeakPolarHBondContact O-CG 3.27Å; R66-L70 PolarHBondContact O-N 3.21Å; Q67-L70 WeakPolarHBondContact O-CA 3.46Å; Q67-L70 WeakPolarHBondContact O-CB 3.29Å; Q67-L70 PolarHBondContact O-N 2.89Å; L70-R73 PolarHBondContact O-N 3.42Å; L70-R74 WeakPolarHBondContact O-CG 3.31Å; L70-R74 PolarHBondContact O-N 2.97Å |
| 71 | E | 89 | Confident | 80.8 | Confident | 99 Ų | 99 | 119.2 Ų | 119.2 | 46% | 0.463 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.8 | -45.3 | 176.5 | -70.7 | 173 | -166.5 | 0 | 0 | 111.6 | Q67 A68 R73 R74 Q75 | Q67-E71 VanDerWaalsContact CG-OE1 3.28Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.4Å; Q67-E71 PolarHBondContact NE2-OE1 2.73Å; Q67-E71 PolarHBondContact O-N 3.29Å; A68-E71 PolarHBondContact O-N 3.03Å; E71-R73 VanDerWaalsContact C-N 3.27Å; E71-R73 PolarHBondContact O-N 3.08Å; E71-R74 WeakPolarHBondContact O-CB 3.31Å; E71-R74 PolarHBondContact O-N 3.04Å; E71-R74 VanDerWaalsContact O-N 3.08Å; E71-Q75 WeakPolarHBondContact O-CG 3.5Å; E71-Q75 PolarHBondContact O-N 3.4Å |
| 72 | A | 87.6 | Confident | 78.5 | Confident | 47 Ų | 47 | 121.6 Ų | 121.6 | 39% | 0.388 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -59.9 | -36.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A68 Q75 N76 | A68-A72 VanDerWaalsContact O-CB 3.28Å; A68-A72 WeakPolarHBondContact O-CB 3.37Å; A68-A72 PolarHBondContact O-N 3.03Å; A72-Q75 PolarHBondContact O-N 2.97Å; A72-N76 PolarHBondContact O-N 3.16Å; A72-N76 PolarHBondContact O-ND2 2.71Å |
| 73 | R | 88.2 | Confident | 75.6 | Confident | 178 Ų | 178 | 125.9 Ų | 125.9 | 67% | 0.672 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.6 | -38 | 173.4 | -171.8 | 174.7 | -178.2 | 175.6 | 1 | 112.2 | L69 L70 E71 N76 M77 | L69-R73 WeakPolarHBondContact O-CB 3.47Å; L69-R73 PolarHBondContact O-N 2.92Å; L70-R73 PolarHBondContact O-N 3.42Å; E71-R73 VanDerWaalsContact C-N 3.27Å; E71-R73 PolarHBondContact O-N 3.08Å; R73-N76 PolarHBondContact O-N 3.18Å; R73-M77 VanDerWaalsContact O-CG 3.25Å; R73-M77 WeakPolarHBondContact O-CG 3.45Å; R73-M77 PolarHBondContact O-N 2.84Å; R73-M77 VanDerWaalsContact O-N 3.13Å |
| 74 | R | 85.4 | Confident | 73.2 | Confident | 192 Ų | 192 | 125.7 Ų | 125.7 | 73% | 0.725 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -61.9 | -44.6 | 174.3 | -72.2 | -176.6 | 70.4 | -130.9 | -1.4 | 111.5 | L70 E71 N76 M77 S78 | L70-R74 WeakPolarHBondContact O-CG 3.31Å; L70-R74 PolarHBondContact O-N 2.97Å; E71-R74 WeakPolarHBondContact O-CB 3.31Å; E71-R74 PolarHBondContact O-N 3.04Å; E71-R74 VanDerWaalsContact O-N 3.08Å; R74-N76 PolarHBondContact O-N 3.27Å; R74-M77 PolarHBondContact O-N 3.19Å; R74-S78 PolarHBondContact O-OG 3.45Å |
| 75 | Q | 78.2 | Confident | 70.5 | Confident | 136 Ų | 136 | 129.8 Ų | 129.8 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -59.6 | -46.2 | 177.2 | -64.2 | -66.9 | -5.6 | 0 | 0 | 112.2 | E71 A72 M77 S78 | E71-Q75 WeakPolarHBondContact O-CG 3.5Å; E71-Q75 PolarHBondContact O-N 3.4Å; A72-Q75 PolarHBondContact O-N 2.97Å; Q75-M77 VanDerWaalsContact C-N 3.31Å; Q75-M77 PolarHBondContact O-N 3.1Å; Q75-S78 WeakPolarHBondContact O-CB 3.29Å; Q75-S78 PolarHBondContact O-N 3.31Å; Q75-S78 VanDerWaalsContact O-N 3.13Å |
| 76 | N | 72.4 | Confident | 68 | Low | 123 Ų | 123 | 130.7 Ų | 130.7 | 66% | 0.658 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68.8 | -26.6 | -179.9 | -77.6 | -86.2 | 0 | 0 | 0 | 113.7 | A72 R73 R74 S78 | A72-N76 PolarHBondContact O-N 3.16Å; A72-N76 PolarHBondContact O-ND2 2.71Å; R73-N76 PolarHBondContact O-N 3.18Å; R74-N76 PolarHBondContact O-N 3.27Å; N76-S78 PolarHBondContact O-N 3.07Å |
| 77 | M | 59.7 | Low | 65.4 | Low | 136 Ų | 136 | 131 Ų | 131 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -8.1 | 173.4 | -70.7 | -72.9 | -60.9 | 0 | 0 | 113.5 | R73 R74 Q75 | R73-M77 VanDerWaalsContact O-CG 3.25Å; R73-M77 WeakPolarHBondContact O-CG 3.45Å; R73-M77 PolarHBondContact O-N 2.84Å; R73-M77 VanDerWaalsContact O-N 3.13Å; R74-M77 PolarHBondContact O-N 3.19Å; Q75-M77 VanDerWaalsContact C-N 3.31Å; Q75-M77 PolarHBondContact O-N 3.1Å |
| 78 | S | 57.2 | Low | 62.8 | Low | 96 Ų | 96 | 134.9 Ų | 134.9 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 2.9 | -179.4 | -60 | 0 | 0 | 0 | 0 | 114.5 | R74 Q75 N76 | R74-S78 PolarHBondContact O-OG 3.45Å; Q75-S78 WeakPolarHBondContact O-CB 3.29Å; Q75-S78 PolarHBondContact O-N 3.31Å; Q75-S78 VanDerWaalsContact O-N 3.13Å; N76-S78 PolarHBondContact O-N 3.07Å |
| 79 | I | 54.2 | Low | 60.4 | Low | 148 Ų | 148 | 141.4 Ų | 141.4 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | -123.6 | 45.6 | -173.6 | -38.2 | -179.9 | 0 | 0 | 0 | 111.1 | ||||
| 80 | S | 45.5 | Very low | 57.7 | Low | 89 Ų | 89 | 143.2 Ų | 143.2 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | trans | -117.3 | 117.6 | -178.9 | 60 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 81 | S | 44.1 | Very low | 55.3 | Low | 121 Ų | 121 | 146.2 Ų | 146.2 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | 72.2 | 156.3 | 173.2 | -60.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 82 | P | 44.8 | Very low | 53 | Low | 105 Ų | 105 | 150 Ų | 150 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | cis | -115.7 | 147.7 | -4.3 | 37.2 | -24.6 | 0 | 0 | 0 | 114.3 | ||||
| 83 | W | 35.4 | Very low | 50.9 | Low | 274 Ų | 274 | 156.2 Ų | 156.2 | 100% | 1.038 | 79% | 0.789 | S | S | * | * | trans | -87.1 | 121.3 | 151.3 | -83 | -10.3 | 0 | 0 | 0 | 108.3 | ||||
| 84 | S | 44 | Very low | 48.7 | Very low | 97 Ų | 97 | 157.2 Ų | 157.2 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -127.2 | 120.7 | 178.5 | 51.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 85 | N | 38.5 | Very low | 46.6 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | 18.2 | 111.1 | 158.2 | -56.2 | -12.6 | 0 | 0 | 0 | 118.3 | ||||
| 86 | N | 41.4 | Very low | 44.7 | Very low | 157 Ų | 157 | 154.4 Ų | 154.4 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -162.8 | 107.3 | 143.5 | -101.5 | -37.8 | 0 | 0 | 0 | 110.9 | ||||
| 87 | H | 41.2 | Very low | 43.3 | Very low | 200 Ų | 200 | 155.3 Ų | 155.3 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | trans | -169.1 | 89.3 | 154.5 | -101.3 | -60.7 | 0 | 0 | 0 | 108.8 | ||||
| 88 | Q | 36.8 | Very low | 42.3 | Very low | 194 Ų | 194 | 156.1 Ų | 156.1 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -129.5 | 81.8 | 170.8 | -177.3 | -179.3 | -12.3 | 0 | 0 | 108.7 | ||||
| 89 | E | 42.4 | Very low | 41.5 | Very low | 190 Ų | 190 | 156 Ų | 156 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -158.2 | 160.7 | 166.1 | -125 | 178.4 | 163.3 | 0 | 0 | 110.2 | ||||
| 90 | L | 36.4 | Very low | 40.8 | Very low | 165 Ų | 165 | 157.2 Ų | 157.2 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | 80.4 | 53.6 | -177.2 | -147.5 | 78 | 0 | 0 | 0 | 117.5 | ||||
| 91 | L | 38.6 | Very low | 40.3 | Very low | 169 Ų | 169 | 157.4 Ų | 157.4 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -96 | 108.2 | 141.5 | -87.3 | 76.8 | 0 | 0 | 0 | 108.1 | ||||
| 92 | E | 42.2 | Very low | 40 | Very low | 178 Ų | 178 | 159 Ų | 159 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | 177.2 | 106.9 | 142.4 | -104.1 | 171.9 | -168.1 | 0 | 0 | 111.2 | ||||
| 93 | N | 43.4 | Very low | 39.6 | Very low | 177 Ų | 177 | 160.8 Ų | 160.8 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | trans | -173.6 | 144.4 | 134.8 | -99.5 | -61.2 | 0 | 0 | 0 | 108.8 | ||||
| 94 | K | 40.7 | Very low | 39.7 | Very low | 199 Ų | 199 | 151.6 Ų | 151.6 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -147.5 | 104.4 | -152 | 173.3 | -163.1 | 171.6 | -173.3 | 0 | 111.8 | ||||
| 95 | T | 41.3 | Very low | 39.3 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -145.4 | 115.4 | 172.9 | -31.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 96 | E | 38.7 | Very low | 39.3 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | 44.7 | 118.2 | 146.6 | -63.4 | 179.7 | 101.6 | 0 | 0 | 123.9 | ||||
| 97 | M | 43.7 | Very low | 39.3 | Very low | 142 Ų | 142 | 154.2 Ų | 154.2 | 70% | 0.7 | 80% | 0.797 | S | S | * | * | 70.7 | 152.1 | 127.2 | -61.4 | -160.2 | -61.8 | 0 | 0 | 119.7 | |||||
| 98 | Q | 38.6 | Very low | 39 | Very low | 152 Ų | 152 | 153.9 Ų | 153.9 | 71% | 0.71 | 79% | 0.793 | S | S | * | * | cis | -153.1 | 166.6 | 5.5 | -134.7 | 167 | 53.9 | 0 | 0 | 111.5 | ||||
| 99 | S | 38.8 | Very low | 39.3 | Very low | 93 Ų | 93 | 151.2 Ų | 151.2 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | 35.7 | 111 | 158.1 | 57.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 100 | M | 39.5 | Very low | 39 | Very low | 175 Ų | 175 | 145 Ų | 145 | 86% | 0.862 | 77% | 0.769 | S | S | * | * | 87.7 | 124.2 | 66.8 | -80.1 | -147.6 | -58.5 | 0 | 0 | 117.5 | |||||
| 101 | S | 36.3 | Very low | 39.1 | Very low | 93 Ų | 93 | 147 Ų | 147 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | 87.7 | 107.9 | 136.4 | -65.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 102 | L | 38 | Very low | 39.1 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | 80.2 | 133.1 | 118.1 | -63.9 | 172.3 | 0 | 0 | 0 | 124.3 | |||||
| 103 | N | 36.3 | Very low | 38.9 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 86.5 | 105.5 | 136.6 | -101.1 | 3.8 | 0 | 0 | 0 | 125.2 | ||||
| 104 | S | 36.5 | Very low | 38.6 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 57% | 0.566 | 75% | 0.751 | S | S | * | * | 66.1 | 122.6 | 114.2 | 74 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 105 | N | 36 | Very low | 38.3 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | 58.7 | 125.8 | 131.3 | -64.8 | -17.8 | 0 | 0 | 0 | 122.7 | ||||
| 106 | S | 39.3 | Very low | 38.1 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | -160.8 | 137.1 | 115.6 | 52.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 107 | K | 41.7 | Very low | 37.9 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | 24.9 | 138.9 | 135.5 | -53.8 | 177.5 | -177.8 | 178.8 | 0 | 119.2 | ||||
| 108 | F | 34.2 | Very low | 37.6 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | -156.5 | -179.1 | 75.7 | -150.2 | -106.9 | 0 | 0 | 0 | 115.7 | |||||
| 109 | M | 43.1 | Very low | 37.7 | Very low | 138 Ų | 138 | 139 Ų | 139 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | trans | -86.7 | 169.9 | -174.6 | -60.4 | 177.5 | 68.8 | 0 | 0 | 113.3 | Y111 | M109-Y111 HydrophobicContact CE-CE2 4.33Š| ||
| 110 | G | 35.3 | Very low | 37.9 | Very low | 59 Ų | 59 | 140.8 Ų | 140.8 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | cis | 160.5 | -175.5 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 111 | Y | 38.4 | Very low | 37.4 | Very low | 209 Ų | 209 | 137.3 Ų | 137.3 | 82% | 0.82 | 77% | 0.768 | S | S | * | * | trans | 67.8 | 156.6 | 177.8 | -56.3 | -84.5 | 0 | 0 | 0 | 117.5 | M109 | M109-Y111 HydrophobicContact CE-CE2 4.33Š| ||
| 112 | D | 38.7 | Very low | 37.4 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | cis | -163.6 | 141.2 | -42 | -156 | 23 | 0 | 0 | 0 | 107.9 | ||||
| 113 | P | 38.9 | Very low | 37 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -107.5 | 132.7 | -169.8 | 36.4 | -28.4 | 0 | 0 | 0 | 115.2 | ||||
| 114 | G | 36 | Very low | 37 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -172.6 | 131 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 115 | A | 35.8 | Very low | 36.9 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | 59.9 | 146.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 116 | F | 37.4 | Very low | 36.6 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | cis | -134.2 | 155.6 | 23.9 | -97.6 | -91.7 | 0 | 0 | 0 | 114 | ||||
| 117 | E | 33 | Very low | 36.6 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | -91.6 | 137.5 | 172.8 | 175.6 | 177.5 | -147.4 | 0 | 0 | 111.2 | ||||
| 118 | T | 38.9 | Very low | 36.4 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -165.7 | 123 | 151.3 | 0.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 119 | K | 39.7 | Very low | 36.3 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | trans | -110.2 | 150.3 | 162.6 | -65.8 | 174 | -177.4 | 167.2 | 0 | 108.9 | ||||
| 120 | P | 42.5 | Very low | 36.1 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | trans | -114.1 | 107.9 | 149.1 | 32.5 | -22.9 | 0 | 0 | 0 | 110.3 | ||||
| 121 | S | 29.9 | Very low | 36 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -72.7 | 149.4 | 158.5 | -59.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 122 | F | 35.3 | Very low | 36 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -135.7 | 109 | 159.5 | -144 | -90.5 | 0 | 0 | 0 | 112.7 | V124 | F122-V124 HydrophobicContact CD1-CG2 3.93Å; F122-V124 HydrophobicContact CE1-CG2 4.16Å | ||
| 123 | T | 30.7 | Very low | 35.9 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -84 | 137.7 | 168.3 | 48.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 124 | V | 36.8 | Very low | 35.8 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -117.9 | 128.5 | 167.3 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | F122 | F122-V124 HydrophobicContact CD1-CG2 3.93Å; F122-V124 HydrophobicContact CE1-CG2 4.16Å | ||
| 125 | S | 32.9 | Very low | 36 | Very low | 88 Ų | 88 | 146.1 Ų | 146.1 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | trans | -86.3 | 131 | -174.9 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 126 | S | 29.2 | Very low | 36 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -70.1 | 130.4 | 162.9 | -49.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 127 | K | 40.4 | Very low | 36.1 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -141.6 | 117.3 | 165.9 | -70.5 | -166.7 | 178.4 | -177 | 0 | 112.3 | ||||
| 128 | N | 36.8 | Very low | 36.3 | Very low | 155 Ų | 155 | 148.8 Ų | 148.8 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | 63.7 | 108.6 | 143.7 | -54.3 | 1.5 | 0 | 0 | 0 | 119.8 | ||||
| 129 | F | 32.2 | Very low | 36.4 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -60.1 | 165.1 | 140.8 | -94 | -99.2 | 0 | 0 | 0 | 110.7 | Q131 | F129-Q131 HydrophobicContact CD1-CG 4.27Š| ||
| 130 | P | 40 | Very low | 36.4 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | -116.7 | 154.8 | 98.3 | -7.4 | 26.4 | 0 | 0 | 0 | 113.6 | |||||
| 131 | Q | 32 | Very low | 36 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -81.7 | 155 | 161.6 | -64.8 | 155.2 | -102.7 | 0 | 0 | 109.1 | F129 | F129-Q131 HydrophobicContact CD1-CG 4.27Š| ||
| 132 | D | 38.5 | Very low | 36.5 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | -157.2 | 174.2 | 128 | -125.2 | -40 | 0 | 0 | 0 | 113.1 | |||||
| 133 | L | 37 | Very low | 36.5 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | -72.3 | 159 | -157.2 | -95.9 | 61 | 0 | 0 | 0 | 117.9 | ||||
| 134 | P | 37.3 | Very low | 36.9 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | -93.1 | 157.7 | 180 | 37.8 | -34.7 | 0 | 0 | 0 | 113.6 | ||||
| 135 | H | 39.9 | Very low | 36.8 | Very low | 193 Ų | 193 | 152.6 Ų | 152.6 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -140.1 | 147.8 | 162.6 | -103.2 | -91.5 | 0 | 0 | 0 | 112.9 | ||||
| 136 | K | 35.4 | Very low | 37.1 | Very low | 197 Ų | 197 | 153.6 Ų | 153.6 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -61.5 | 151.6 | 173.4 | -63.8 | 171 | 174.5 | 174.7 | 0 | 111.5 | ||||
| 137 | T | 39 | Very low | 37.4 | Very low | 140 Ų | 140 | 155.1 Ų | 155.1 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | -172.1 | 154.9 | 116.2 | -74.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 138 | E | 38.8 | Very low | 37.1 | Very low | 177 Ų | 177 | 154.2 Ų | 154.2 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -47.8 | 165.9 | -179.6 | -82.1 | -105.9 | 95.4 | 0 | 0 | 118.8 | ||||
| 139 | P | 40.5 | Very low | 37.1 | Very low | 99 Ų | 99 | 153.1 Ų | 153.1 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -93.8 | 157.8 | -175.4 | 37.8 | -34.9 | 0 | 0 | 0 | 114.3 | ||||
| 140 | N | 38.4 | Very low | 37.1 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -156.5 | 167.2 | 146.5 | -127.6 | -58.5 | 0 | 0 | 0 | 115.8 | ||||
| 141 | N | 35.3 | Very low | 37.1 | Very low | 124 Ų | 124 | 153.3 Ų | 153.3 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | -71.1 | 150.4 | -174.2 | -62.7 | -94.9 | 0 | 0 | 0 | 113.6 | ||||
| 142 | H | 40.6 | Very low | 37.4 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | 176.2 | 147.7 | 102.7 | -92.5 | -40.5 | 0 | 0 | 0 | 117 | |||||
| 143 | R | 35.7 | Very low | 37.3 | Very low | 197 Ų | 197 | 150.2 Ų | 150.2 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 65.4 | 120.7 | 142.6 | -74 | 177.4 | 175.6 | -107 | 6 | 122.7 | ||||
| 144 | Q | 38.2 | Very low | 37.3 | Very low | 149 Ų | 149 | 148.6 Ų | 148.6 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | 80.3 | 102.6 | 126.8 | -68.9 | 178.3 | -100 | 0 | 0 | 122.4 | |||||
| 145 | F | 34.5 | Very low | 37.7 | Very low | 196 Ų | 196 | 149.1 Ų | 149.1 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -32.9 | 156.1 | 130.3 | -67.1 | -69.5 | 0 | 0 | 0 | 114.6 | ||||
| 146 | P | 40.6 | Very low | 37.4 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | -158.1 | 150.9 | 56.2 | 41.8 | -19.4 | 0 | 0 | 0 | 122.5 | |||||
| 147 | L | 34.2 | Very low | 37.6 | Very low | 152 Ų | 152 | 149.2 Ų | 149.2 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | 61 | 153.8 | 130.2 | -63.7 | 174.1 | 0 | 0 | 0 | 125.3 | ||||
| 148 | H | 34.8 | Very low | 37.5 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | trans | 70.7 | 155.8 | 163.9 | -89.9 | -96.4 | 0 | 0 | 0 | 117.7 | ||||
| 149 | L | 36.4 | Very low | 37.5 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | cis | -135.3 | -172.2 | 10.5 | -153 | 121.2 | 0 | 0 | 0 | 113.4 | Y151 | L149-Y151 HydrophobicContact CD2-CD2 4.04Å; L149-Y151 HydrophobicContact CD2-CE2 3.77Å | ||
| 150 | T | 33 | Very low | 37.1 | Very low | 104 Ų | 104 | 150.1 Ų | 150.1 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | trans | -110.7 | -160.4 | -160 | 48.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 151 | Y | 38.2 | Very low | 37.3 | Very low | 205 Ų | 205 | 148 Ų | 148 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 94.6 | 137.5 | 174.3 | -59.8 | -79.6 | 0 | 0 | 0 | 116.9 | L149 | L149-Y151 HydrophobicContact CD2-CD2 4.04Å; L149-Y151 HydrophobicContact CD2-CE2 3.77Å | ||
| 152 | S | 39.6 | Very low | 37.2 | Very low | 98 Ų | 98 | 150.3 Ų | 150.3 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | cis | -165.7 | 137.1 | -10.9 | 52.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 153 | N | 36.6 | Very low | 37.2 | Very low | 151 Ų | 151 | 148.2 Ų | 148.2 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | 43.2 | 121.6 | 142.2 | -74.8 | -10 | 0 | 0 | 0 | 126 | ||||
| 154 | V | 37.2 | Very low | 37 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | 17.4 | 152.7 | 121.4 | -77.9 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 155 | P | 44.7 | Very low | 37.3 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | cis | -149.9 | -179 | 45.4 | 43.2 | -21.5 | 0 | 0 | 0 | 121 | ||||
| 156 | N | 33.1 | Very low | 37.4 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | -73.5 | 160.5 | -175 | -48.9 | -58.6 | 0 | 0 | 0 | 115.7 | ||||
| 157 | R | 40.3 | Very low | 37.4 | Very low | 247 Ų | 247 | 145.3 Ų | 145.3 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | trans | -149.1 | 153.7 | 136.8 | -115 | 176.8 | -170.1 | -119.6 | 0.4 | 112.3 | ||||
| 158 | L | 35.9 | Very low | 37.8 | Very low | 155 Ų | 155 | 147 Ų | 147 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -82.9 | 153.8 | -178 | -67.8 | 71.1 | 0 | 0 | 0 | 111.4 | ||||
| 159 | I | 40.7 | Very low | 38.3 | Very low | 174 Ų | 174 | 145.1 Ų | 145.1 | 89% | 0.892 | 77% | 0.77 | S | S | * | * | -170.5 | 154.1 | 124.8 | -95.2 | 151.6 | 0 | 0 | 0 | 109.4 | |||||
| 160 | S | 32.2 | Very low | 38.4 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -138.7 | 161.3 | 177.4 | -150.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 161 | P | 41.1 | Very low | 38.9 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | cis | -143.5 | -166.7 | 18.4 | 40.7 | -19 | 0 | 0 | 0 | 116.8 | ||||
| 162 | Q | 32.9 | Very low | 38.8 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | 102.8 | 158.8 | 144 | -135.9 | 168.9 | 88.2 | 0 | 0 | 119.9 | ||||
| 163 | T | 41.1 | Very low | 38.9 | Very low | 123 Ų | 123 | 148 Ų | 148 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 61.9 | 70.7 | 174.8 | 59.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 164 | N | 32.5 | Very low | 38.9 | Very low | 143 Ų | 143 | 146 Ų | 146 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | 18.3 | 114.6 | 122.7 | -177.9 | 13.1 | 0 | 0 | 0 | 119.2 | |||||
| 165 | I | 43 | Very low | 39.1 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | -149 | 134.3 | 138.7 | -88 | 129.2 | 0 | 0 | 0 | 107.8 | I167 | I165-I167 HydrophobicContact CG2-CG1 4.03Š| ||
| 166 | D | 36.8 | Very low | 38.9 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -75.9 | 117.6 | 175.3 | -103.9 | -47.3 | 0 | 0 | 0 | 111.4 | ||||
| 167 | I | 42.3 | Very low | 39 | Very low | 145 Ų | 145 | 150 Ų | 150 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -119.3 | 111.1 | 169.6 | -56.1 | -177.5 | 0 | 0 | 0 | 109 | I165 | I165-I167 HydrophobicContact CG2-CG1 4.03Š| ||
| 168 | K | 41.5 | Very low | 38.6 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 132 | 171.5 | -76.6 | 179.3 | 176.8 | 173.4 | 0 | 110.2 | I170 | K168-I170 PolarHBondContact O-N 3.33Š|
| 169 | P | 45.6 | Very low | 38.9 | Very low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 129.9 | 173.6 | 28.5 | -33.6 | 0 | 0 | 0 | 110.6 | ||
| 170 | I | 38 | Very low | 38.8 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 121 | 171.1 | -60 | 172.6 | 0 | 0 | 0 | 107.9 | K168 | K168-I170 PolarHBondContact O-N 3.33Š|
| 171 | I | 44.6 | Very low | 39.1 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | trans | -103.5 | 109.6 | 169.9 | -62.2 | 178.1 | 0 | 0 | 0 | 107.8 | ||||
| 172 | H | 36.2 | Very low | 39.1 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 123.2 | 172.5 | -73 | -102.5 | 0 | 0 | 0 | 109.9 | ||
| 173 | H | 40.8 | Very low | 39.3 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 117.8 | 163.2 | -72.4 | -74.1 | 0 | 0 | 0 | 108.8 | ||
| 174 | P | 37.5 | Very low | 39.4 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77 | 168.6 | 170 | 34 | -34.8 | 0 | 0 | 0 | 110.8 | ||
| 175 | L | 41.5 | Very low | 39.9 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | 69.1 | 92.7 | 175.2 | -46.2 | 179.6 | 0 | 0 | 0 | 115.2 | ||||
| 176 | L | 38.9 | Very low | 39.9 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | 166.6 | 84.9 | 110.6 | -85.2 | 174.5 | 0 | 0 | 0 | 110.4 | |||||
| 177 | S | 35.7 | Very low | 39.7 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -97.1 | 122.5 | 166.3 | -69.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 178 | S | 33 | Very low | 39.7 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -75 | 144.3 | 171.3 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 179 | S | 40.4 | Very low | 39.6 | Very low | 122 Ų | 122 | 135 Ų | 135 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -160.8 | 142.2 | 152.5 | -82.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 180 | V | 38.7 | Very low | 39.6 | Very low | 138 Ų | 138 | 139 Ų | 139 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -134.1 | 135.8 | 173.7 | 173.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 181 | P | 39.3 | Very low | 40.4 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | trans | -144.2 | 123 | 137.7 | 32 | -14.4 | 0 | 0 | 0 | 115.4 | ||||
| 182 | V | 40.3 | Very low | 40.4 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | 40.3 | 120.9 | 127.9 | -171.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 183 | G | 38.2 | Very low | 41.3 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | 109.6 | 145 | 148.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 184 | S | 42.2 | Very low | 41.8 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | cis | -163 | 148.5 | -8.7 | 71 | 0 | 0 | 0 | 0 | 112 | ||||
| 185 | K | 43.3 | Very low | 42.7 | Very low | 187 Ų | 187 | 143.4 Ų | 143.4 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | 55.6 | 110 | 157 | -57.7 | 167.8 | -175.6 | 176.7 | 0 | 118 | ||||
| 186 | N | 43 | Very low | 43.3 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | -163.8 | 159.5 | 104.5 | -94 | -12.9 | 0 | 0 | 0 | 110.8 | |||||
| 187 | S | 33.1 | Very low | 44.4 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -109 | 132.4 | -173.4 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 188 | T | 43 | Very low | 45.6 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | trans | -145.6 | 139.1 | 153.5 | -60.5 | 0 | 0 | 0 | 0 | 107.1 | Y190 | T188-Y190 HydrophobicContact CG2-CD2 4.04Å; T188-Y190 HydrophobicContact CG2-CE2 3.67Å | ||
| 189 | M | 38 | Very low | 46.5 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | -98.3 | 129.5 | 176.4 | -53 | -151.8 | -46.8 | 0 | 0 | 111.2 | ||||
| 190 | Y | 46.8 | Very low | 47.5 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -137 | 110.1 | 151.5 | -72.6 | -77.7 | 0 | 0 | 0 | 104.6 | T188 | T188-Y190 HydrophobicContact CG2-CD2 4.04Å; T188-Y190 HydrophobicContact CG2-CE2 3.67Å | ||
| 191 | V | 54.5 | Low | 48.4 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 64% | 0.642 | 79% | 0.789 | S | S | * | * | 71.3 | 121.4 | 79.5 | 173.9 | 0 | 0 | 0 | 0 | 109.7 | E193 | V191-E193 HydrophobicContact CG1-CG 4.22Š| |||
| 192 | E | 44.6 | Very low | 49.2 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | trans | -79.3 | 124.9 | 172.3 | -58.6 | -177.4 | 150.7 | 0 | 0 | 107.1 | ||||
| 193 | E | 53.9 | Low | 49.7 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -112.5 | 132.1 | 171 | -67.6 | -177.5 | 164.9 | 0 | 0 | 107.4 | V191 | V191-E193 HydrophobicContact CG1-CG 4.22Š| ||
| 194 | E | 51.4 | Low | 49.7 | Very low | 181 Ų | 181 | 153.8 Ų | 153.8 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -93.4 | 118.8 | -176.5 | -65.4 | 174.7 | 113.8 | 0 | 0 | 108.4 | D196 | E194-D196 PolarHBondContact O-N 3.12Š| ||
| 195 | D | 57.2 | Low | 49.7 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -72.3 | 68.3 | 176.3 | -65.3 | -33.1 | 0 | 0 | 0 | 111 | D197 | D195-D197 PolarHBondContact O-N 3.42Š| ||
| 196 | D | 53.5 | Low | 49.7 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -86 | 84.4 | 165.4 | -97.5 | -19.6 | 0 | 0 | 0 | 109.2 | E194 | E194-D196 PolarHBondContact O-N 3.12Š| ||
| 197 | D | 61.7 | Low | 49.6 | Very low | 137 Ų | 137 | 150.9 Ų | 150.9 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -97.8 | 135.6 | 178.7 | -85.6 | -31.6 | 0 | 0 | 0 | 113.5 | D195 | D195-D197 PolarHBondContact O-N 3.42Š| ||
| 198 | D | 61.6 | Low | 49.8 | Very low | 150 Ų | 150 | 149.5 Ų | 149.5 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | 67.2 | 78.3 | 158.2 | -61.1 | -24.6 | 0 | 0 | 0 | 119.9 | ||||
| 199 | D | 52.8 | Low | 49.4 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -63.9 | 119.4 | 143 | -102.7 | -43.5 | 0 | 0 | 0 | 110.6 | ||||
| 200 | D | 61.5 | Low | 49.4 | Very low | 151 Ų | 151 | 153.1 Ų | 153.1 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | -144.7 | 88.4 | 161 | -126.4 | -8.3 | 0 | 0 | 0 | 108.6 | ||||
| 201 | M | 56.4 | Low | 48.9 | Very low | 140 Ų | 140 | 148.8 Ų | 148.8 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | 81.2 | 111.5 | 88.6 | -79 | -75.7 | -153.2 | 0 | 0 | 115.2 | |||||
| 202 | L | 56.5 | Low | 48.2 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 72% | 0.723 | 82% | 0.819 | S | S | * | * | trans | 67.5 | 153 | 147.9 | -51.8 | 175.1 | 0 | 0 | 0 | 117.9 | ||||
| 203 | Q | 51.1 | Low | 47.8 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | cis | -155.7 | 153 | -39.8 | -125.2 | 172.5 | 10.7 | 0 | 0 | 106.8 | G205 | Q203-G205 PolarHBondContact O-N 2.95Š| ||
| 204 | N | 38.3 | Very low | 47.2 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | -75.8 | 124.9 | 171.4 | -63.6 | -58.3 | 0 | 0 | 0 | 109.5 | ||||
| 205 | G | 41.4 | Very low | 47 | Very low | 77 Ų | 77 | 143.2 Ų | 143.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -140.1 | 112.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q203 | Q203-G205 PolarHBondContact O-N 2.95Š| ||
| 206 | E | 43.1 | Very low | 46.2 | Very low | 188 Ų | 188 | 145 Ų | 145 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -91.7 | 152.7 | 173.5 | -72.2 | -177.8 | 84 | 0 | 0 | 112 | ||||
| 207 | S | 41.7 | Very low | 45.8 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | trans | 66.5 | 170.4 | 168.4 | 82.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 208 | G | 37.7 | Very low | 44.7 | Very low | 75 Ų | 75 | 144.1 Ų | 144.1 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 115.9 | 68.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 209 | V | 33 | Very low | 43.8 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -75.3 | 137.4 | 160.6 | -169.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 210 | Y | 38.7 | Very low | 43 | Very low | 233 Ų | 233 | 144.7 Ų | 144.7 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | -171.5 | 150.6 | 134.2 | -90.8 | -53.5 | 0 | 0 | 0 | 113.4 | ||||
| 211 | T | 36.4 | Very low | 42.1 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -87.6 | 144.6 | -165.6 | -54 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 212 | L | 38.7 | Very low | 41.6 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | 170.1 | 131.6 | 139.6 | -93 | 155 | 0 | 0 | 0 | 110.4 | ||||
| 213 | G | 37.7 | Very low | 41.1 | Very low | 53 Ų | 53 | 145.4 Ų | 145.4 | 55% | 0.546 | 80% | 0.797 | S | S | . | * | cis | 175.7 | 131 | -15.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 214 | F | 41.2 | Very low | 40.4 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | 60.7 | 163.8 | 149.6 | -62.7 | -60.9 | 0 | 0 | 0 | 121.8 | ||||
| 215 | P | 46.6 | Very low | 40.5 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | cis | -138.9 | 162.7 | -39.5 | 36.9 | -22.1 | 0 | 0 | 0 | 114.8 | ||||
| 216 | K | 40.8 | Very low | 40.3 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | -172.2 | 111.9 | 129.2 | -104.7 | 157.2 | -174.6 | 173.2 | 0 | 113.5 | |||||
| 217 | T | 44.5 | Very low | 40 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 64% | 0.644 | 78% | 0.776 | S | S | * | * | trans | 31 | 129.2 | 137.2 | 58.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 218 | F | 40.1 | Very low | 39.8 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | -165.5 | 158.4 | 60.6 | -98.9 | -76.1 | 0 | 0 | 0 | 114.8 | |||||
| 219 | F | 41.7 | Very low | 39.9 | Very low | 174 Ų | 174 | 138 Ų | 138 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | trans | 49.3 | 104.1 | 167.6 | -65.8 | -74.9 | 0 | 0 | 0 | 118.6 | ||||
| 220 | N | 36.4 | Very low | 40.3 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | 78.4 | 96.9 | 70.6 | -82.1 | 7.7 | 0 | 0 | 0 | 116.5 | |||||
| 221 | S | 41.9 | Very low | 40.3 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | 167.2 | 117.2 | 120 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 222 | P | 47 | Very low | 40.3 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | trans | -131.4 | 154.2 | 159.7 | 37.8 | -25.1 | 0 | 0 | 0 | 113.5 | ||||
| 223 | F | 44.6 | Very low | 40.3 | Very low | 215 Ų | 215 | 132.3 Ų | 132.3 | 94% | 0.943 | 75% | 0.752 | S | S | * | * | trans | -130 | 147 | 159.7 | -114.1 | -90 | 0 | 0 | 0 | 109.4 | ||||
| 224 | S | 36.7 | Very low | 40.4 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -126 | -176.8 | -164 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 225 | A | 40.7 | Very low | 40.4 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 82.8 | 148.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 226 | N | 36.3 | Very low | 40.5 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | cis | -166.1 | 173.3 | -32.6 | -145.7 | -9.8 | 0 | 0 | 0 | 112 | ||||
| 227 | L | 38.1 | Very low | 40.5 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | 55 | 105.3 | 145.8 | -76.1 | 159.6 | 0 | 0 | 0 | 122.5 | ||||
| 228 | T | 36.6 | Very low | 40.3 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | 46.8 | 130.5 | 122 | 59.8 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 229 | G | 39.1 | Very low | 40.8 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -179.6 | 123.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 230 | I | 41.6 | Very low | 40.9 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | cis | 115.3 | 104.2 | 35.2 | -80.4 | 172.1 | 0 | 0 | 0 | 110.3 | ||||
| 231 | Q | 39.3 | Very low | 41.4 | Very low | 170 Ų | 170 | 127 Ų | 127 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 73.7 | 129.3 | 143.2 | -74.2 | -174.8 | 32.4 | 0 | 0 | 125.6 | ||||
| 232 | S | 37.5 | Very low | 41.3 | Very low | 91 Ų | 91 | 125.2 Ų | 125.2 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | 91.2 | 127.2 | 125.7 | -66.9 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 233 | S | 38.8 | Very low | 41 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | 64.3 | 151.9 | 140.8 | 55.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 234 | S | 39.4 | Very low | 40.7 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | cis | -175.6 | 151.5 | -21.5 | 55.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 235 | F | 41.4 | Very low | 40.7 | Very low | 203 Ų | 203 | 122.7 Ų | 122.7 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | 69.2 | 164 | 154.2 | -69.2 | -52.7 | 0 | 0 | 0 | 121.1 | ||||
| 236 | P | 48.7 | Very low | 40.7 | Very low | 109 Ų | 109 | 125 Ų | 125 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | trans | -131.4 | 178.7 | -154.4 | 44.7 | -29.3 | 0 | 0 | 0 | 116.3 | ||||
| 237 | S | 40.3 | Very low | 40.8 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -173.9 | 164.5 | 147.9 | -85.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 238 | G | 39.9 | Very low | 40.8 | Very low | 70 Ų | 70 | 125.1 Ų | 125.1 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -82.9 | -162.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 239 | P | 51.3 | Low | 40.7 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | -149.3 | -178.8 | 57.1 | 42.2 | -22.4 | 0 | 0 | 0 | 118.5 | |||||
| 240 | M | 42.4 | Very low | 40.6 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -18.1 | 149 | 166.1 | -56.1 | 177.2 | 74.1 | 0 | 0 | 121.8 | ||||
| 241 | T | 48.4 | Very low | 40.1 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 92% | 0.92 | 77% | 0.767 | S | S | * | * | -139.1 | 160.5 | 118.6 | 46.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 242 | S | 38 | Very low | 40.1 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 56% | 0.559 | 77% | 0.767 | S | S | * | * | trans | -157.9 | 156.1 | -175.3 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 243 | F | 40.6 | Very low | 40 | Very low | 217 Ų | 217 | 126.3 Ų | 126.3 | 95% | 0.952 | 77% | 0.768 | S | S | * | * | trans | -165.1 | 169.1 | 147.2 | -102.7 | -60.9 | 0 | 0 | 0 | 113.4 | ||||
| 244 | A | 40.3 | Very low | 40 | Very low | 90 Ų | 90 | 128 Ų | 128 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | -62.8 | 169.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 245 | G | 36.2 | Very low | 39.9 | Very low | 70 Ų | 70 | 127.9 Ų | 127.9 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | cis | 123 | -175.6 | 7.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 246 | I | 39.3 | Very low | 39.7 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | 86.3 | 111.6 | 171.7 | -61 | 175.5 | 0 | 0 | 0 | 118 | ||||
| 247 | H | 40 | Very low | 39.1 | Very low | 167 Ų | 167 | 127.8 Ų | 127.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | 35.5 | 152.8 | 128.8 | -55.8 | -68.1 | 0 | 0 | 0 | 122.2 | |||||
| 248 | S | 37.1 | Very low | 39 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | cis | -166.6 | 176.2 | -6.7 | -105.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 249 | S | 36 | Very low | 38.6 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -59.8 | 148.7 | 175.2 | 53.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 250 | N | 35.2 | Very low | 38 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | -161.9 | 172.7 | 121.3 | -131.2 | -21.6 | 0 | 0 | 0 | 115.1 | |||||
| 251 | S | 32.2 | Very low | 37.6 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -122.3 | 148.7 | -177.4 | 179.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 252 | Q | 38.8 | Very low | 37 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | 169.3 | 123.6 | 157.2 | -93.6 | 154.5 | 44.7 | 0 | 0 | 107.1 | ||||
| 253 | S | 34.9 | Very low | 36.9 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | cis | 91.8 | 160.8 | 49.1 | 77.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 254 | I | 39.2 | Very low | 36.6 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | 87.7 | 89.1 | 177.9 | -55.2 | 162.5 | 0 | 0 | 0 | 113.7 | ||||
| 255 | S | 36.8 | Very low | 36.3 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | 92.2 | 151.8 | 96.1 | 92.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 256 | N | 38.3 | Very low | 36.4 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | cis | -147.2 | 170.5 | 18.2 | -112.6 | -35.6 | 0 | 0 | 0 | 114.3 | ||||
| 257 | I | 35.8 | Very low | 35.9 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -98.7 | 168.5 | 178.9 | -85 | 164 | 0 | 0 | 0 | 108.4 | ||||
| 258 | P | 38 | Very low | 35.7 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | cis | -139.3 | 179.2 | 29 | 22.8 | 5.2 | 0 | 0 | 0 | 119.8 | ||||
| 259 | V | 31 | Very low | 35.3 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -91.6 | 142.4 | 160.5 | -119.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 260 | S | 38.6 | Very low | 35.1 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -151.7 | 123.7 | 156.9 | -77 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 261 | N | 35.6 | Very low | 35.1 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | cis | 104.6 | 114.5 | 29.3 | -165.7 | 29.4 | 0 | 0 | 0 | 112.5 | ||||
| 262 | L | 34.3 | Very low | 35.6 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | 57 | 116.3 | 158.3 | -155.3 | 67.2 | 0 | 0 | 0 | 120.7 | ||||
| 263 | G | 36.3 | Very low | 36 | Very low | 77 Ų | 77 | 137.8 Ų | 137.8 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -172.1 | 125 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 264 | Q | 34.6 | Very low | 35.9 | Very low | 173 Ų | 173 | 141 Ų | 141 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -93.9 | 147.2 | -178.6 | -58.4 | 172.1 | 5.6 | 0 | 0 | 111.1 | ||||
| 265 | T | 34.2 | Very low | 35.8 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | 168.3 | 142.4 | 113.4 | 34.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 266 | H | 37.7 | Very low | 35.7 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | 53.5 | 144.1 | 153.8 | -66.7 | -65.5 | 0 | 0 | 0 | 124.3 | ||||
| 267 | F | 29.9 | Very low | 35.3 | Very low | 198 Ų | 198 | 144.7 Ų | 144.7 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -83.8 | 148.1 | 179.4 | -74.3 | -120.9 | 0 | 0 | 0 | 112.6 | ||||
| 268 | V | 34.5 | Very low | 35.1 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -135.1 | 143.2 | 134.3 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 269 | Q | 29.4 | Very low | 34.7 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -105.9 | 132 | -169.9 | 169 | -177.4 | -13.2 | 0 | 0 | 111.7 | ||||
| 270 | C | 31.2 | Very low | 34.8 | Very low | 116 Ų | 116 | 144 Ų | 144 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -150 | 107.1 | 168.2 | -107 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 271 | L | 36.1 | Very low | 34.4 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 44.3 | 123.8 | 140.9 | -66 | 155.3 | 0 | 0 | 0 | 121.4 | ||||
| 272 | P | 42.4 | Very low | 34.1 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -71.7 | 157.3 | 155.9 | 33.5 | -33.9 | 0 | 0 | 0 | 111.3 | ||||
| 273 | P | 48.1 | Very low | 34 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | -72.4 | 139.4 | -172.1 | 28.8 | -35.6 | 0 | 0 | 0 | 113.3 | Y275 | P273-Y275 HydrophobicContact CB-CD2 4.29Å; P273-Y275 HydrophobicContact CB-CE2 4.4Å | ||
| 274 | N | 32.1 | Very low | 33.7 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | -106.1 | 100.2 | -175 | -152.4 | -11 | 0 | 0 | 0 | 110.3 | ||||
| 275 | Y | 37.4 | Very low | 33.6 | Very low | 207 Ų | 207 | 139.1 Ų | 139.1 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | -149.2 | 131.9 | 176.4 | -68 | -71 | 0 | 0 | 0 | 109.3 | P273 | P273-Y275 HydrophobicContact CB-CD2 4.29Å; P273-Y275 HydrophobicContact CB-CE2 4.4Å | ||
| 276 | S | 34.4 | Very low | 33.3 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | cis | -151.9 | 153.3 | -8.6 | -77.6 | 0 | 0 | 0 | 0 | 109.4 | V278 | S276-V278 PolarHBondContact O-N 3.44Š| ||
| 277 | N | 28.8 | Very low | 33 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -60.3 | 117.1 | 175.6 | -76.5 | -32.4 | 0 | 0 | 0 | 112.3 | S279 | N277-S279 PolarHBondContact O-N 3.45Š| ||
| 278 | V | 32.7 | Very low | 32.9 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | trans | -90.7 | 83.8 | 162.1 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | S276 F280 | S276-V278 PolarHBondContact O-N 3.44Å; V278-F280 HydrophobicContact CG1-CD2 4.24Å; V278-F280 HydrophobicContact CG1-CE2 3.75Å; V278-F280 HydrophobicContact CG1-CZ 4.07Å; V278-F280 PolarHBondContact O-N 3.21Å | ||
| 279 | S | 28.7 | Very low | 33 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | trans | -70.7 | 109.1 | 175.4 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | N277 S281 | N277-S279 PolarHBondContact O-N 3.45Å; S279-S281 VanDerWaalsContact C-N 3.26Å; S279-S281 PolarHBondContact O-N 2.98Å | ||
| 280 | F | 34.2 | Very low | 33 | Very low | 188 Ų | 188 | 132.2 Ų | 132.2 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -78.7 | 76.1 | 169.9 | -77.6 | -81.8 | 0 | 0 | 0 | 110.6 | V278 | V278-F280 HydrophobicContact CG1-CD2 4.24Å; V278-F280 HydrophobicContact CG1-CE2 3.75Å; V278-F280 HydrophobicContact CG1-CZ 4.07Å; V278-F280 PolarHBondContact O-N 3.21Å | ||
| 281 | S | 29.1 | Very low | 33.2 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 57% | 0.573 | 76% | 0.757 | S | S | * | * | trans | -56.8 | 133.5 | 167.8 | -65.1 | 0 | 0 | 0 | 0 | 110.4 | S279 V283 | S279-S281 VanDerWaalsContact C-N 3.26Å; S279-S281 PolarHBondContact O-N 2.98Å; S281-V283 PolarHBondContact O-N 3.43Å | ||
| 282 | P | 30.1 | Very low | 33.2 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -73.1 | 90.5 | 179 | 29.3 | -34.3 | 0 | 0 | 0 | 110.6 | S284 | P282-S284 PolarHBondContact O-N 3Š| ||
| 283 | V | 33 | Very low | 32.6 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | trans | -76.6 | 88.2 | 177.3 | 178.1 | 0 | 0 | 0 | 0 | 110 | S281 Q285 | S281-V283 PolarHBondContact O-N 3.43Å; V283-Q285 VanDerWaalsContact C-N 3.27Å; V283-Q285 HydrophobicContact CG1-CB 4.34Å; V283-Q285 HydrophobicContact CG1-CG 3.72Å; V283-Q285 PolarHBondContact O-N 2.94Å | ||
| 284 | S | 28.7 | Very low | 31.8 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -68.1 | 78.8 | 168.6 | -64.8 | 0 | 0 | 0 | 0 | 111.3 | P282 | P282-S284 PolarHBondContact O-N 3Š| ||
| 285 | Q | 33.2 | Very low | 31.7 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | -97.1 | 95.9 | 169.2 | -83.5 | -177.2 | 42.7 | 0 | 0 | 111.1 | V283 L287 | V283-Q285 VanDerWaalsContact C-N 3.27Å; V283-Q285 HydrophobicContact CG1-CB 4.34Å; V283-Q285 HydrophobicContact CG1-CG 3.72Å; V283-Q285 PolarHBondContact O-N 2.94Å; Q285-L287 PolarHBondContact O-N 3.25Å; Q285-L287 VanDerWaalsContact O-N 3.17Å | ||
| 286 | T | 27.3 | Very low | 31.4 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -69 | 101 | 164.8 | 49.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 287 | L | 32 | Very low | 31.2 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -119.2 | 107 | 172.1 | -158.6 | 73.1 | 0 | 0 | 0 | 110.6 | Q285 T289 | Q285-L287 PolarHBondContact O-N 3.25Å; Q285-L287 VanDerWaalsContact O-N 3.17Å; L287-T289 PolarHBondContact O-N 3.31Å | ||
| 288 | N | 27.8 | Very low | 31.4 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -75.3 | 110.9 | -179.9 | -70.4 | -24.9 | 0 | 0 | 0 | 110.9 | ||||
| 289 | T | 36.5 | Very low | 31.5 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | -134.2 | 136.4 | 162.8 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | L287 | L287-T289 PolarHBondContact O-N 3.31Š| ||
| 290 | P | 30.3 | Very low | 31.5 | Very low | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -73.6 | 131.5 | -168.9 | 28.8 | -35.1 | 0 | 0 | 0 | 112.9 | N292 | P290-N292 PolarHBondContact O-N 2.89Š| ||
| 291 | V | 34.7 | Very low | 31.8 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -79.1 | 107.4 | 173.5 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | H293 | V291-H293 PolarHBondContact O-N 3.43Š| ||
| 292 | N | 35.3 | Very low | 31.9 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -68.1 | 123 | 170.7 | -83.3 | -44.2 | 0 | 0 | 0 | 110.6 | P290 I294 | P290-N292 PolarHBondContact O-N 2.89Å; N292-I294 PolarHBondContact O-N 3.23Å; N292-I294 VanDerWaalsContact O-N 3.09Å | ||
| 293 | H | 29.3 | Very low | 32.3 | Very low | 186 Ų | 186 | 147 Ų | 147 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -72.2 | 99 | 179.1 | -70.5 | -71.5 | 0 | 0 | 0 | 112.1 | V291 | V291-H293 PolarHBondContact O-N 3.43Š| ||
| 294 | I | 31.4 | Very low | 32.2 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -92.8 | 119.3 | 165.5 | -59.7 | 179.6 | 0 | 0 | 0 | 108.7 | N292 L296 | N292-I294 PolarHBondContact O-N 3.23Å; N292-I294 VanDerWaalsContact O-N 3.09Å; I294-L296 PolarHBondContact O-N 3.32Å | ||
| 295 | R | 30.8 | Very low | 32.2 | Very low | 230 Ų | 230 | 150.2 Ų | 150.2 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -72.7 | 121.3 | 176.2 | -68.4 | -177.2 | 175.7 | -162.4 | -0.8 | 110 | I297 | R295-I297 PolarHBondContact O-N 3.05Š| ||
| 296 | L | 30.7 | Very low | 32.3 | Very low | 166 Ų | 166 | 149.6 Ų | 149.6 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -69.1 | 114.8 | 163.5 | -99 | 80.2 | 0 | 0 | 0 | 109.7 | I294 | I294-L296 PolarHBondContact O-N 3.32Š| ||
| 297 | I | 31.5 | Very low | 32.6 | Very low | 156 Ų | 156 | 147 Ų | 147 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -81.6 | 119.6 | 162.5 | -60.2 | 175.8 | 0 | 0 | 0 | 106.9 | R295 P299 | R295-I297 PolarHBondContact O-N 3.05Å; I297-P299 WeakPolarHBondContact O-CD 3.4Å | ||
| 298 | R | 32.6 | Very low | 32.6 | Very low | 216 Ų | 216 | 142.4 Ų | 142.4 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | -77.6 | 124.7 | 171.6 | -82.2 | -176.1 | 171.3 | -176.5 | -2.7 | 109.9 | S300 | R298-S300 PolarHBondContact O-N 3.35Š| ||
| 299 | P | 33.8 | Very low | 33 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -75.2 | 115.2 | 156 | 30.4 | -29.6 | 0 | 0 | 0 | 108.7 | I297 I301 | I297-P299 WeakPolarHBondContact O-CD 3.4Å; P299-I301 PolarHBondContact O-N 3.06Å | ||
| 300 | S | 30.4 | Very low | 32.9 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -88 | 103.7 | 177.6 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | R298 | R298-S300 PolarHBondContact O-N 3.35Š| ||
| 301 | I | 40.1 | Very low | 33.4 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -126.3 | 117.9 | 169.9 | -56.8 | 179.2 | 0 | 0 | 0 | 108.5 | P299 Q303 | P299-I301 PolarHBondContact O-N 3.06Å; I301-Q303 HydrophobicContact CG2-CG 4.48Å | ||
| 302 | P | 30.1 | Very low | 33.5 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -81.7 | 125.6 | 170.3 | 31.9 | -30.5 | 0 | 0 | 0 | 110.1 | ||||
| 303 | Q | 38.4 | Very low | 34 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | trans | -128.6 | 151.9 | 163.8 | -82.9 | -155.6 | -14.6 | 0 | 0 | 110.5 | I301 | I301-Q303 HydrophobicContact CG2-CG 4.48Š| ||
| 304 | P | 31.6 | Very low | 34.2 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | trans | -76.3 | 163 | -165.6 | 30.5 | -36.5 | 0 | 0 | 0 | 114.2 | T306 | P304-T306 PolarHBondContact O-N 3.03Š| ||
| 305 | N | 29.4 | Very low | 34.7 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 90% | 0.898 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -72.5 | 88.6 | -167.3 | -61.5 | -39.1 | 0 | 0 | 0 | 114.5 | ||
| 306 | T | 35.1 | Very low | 34.9 | Very low | 145 Ų | 145 | 117.3 Ų | 117.3 | 89% | 0.89 | 68% | 0.678 | S | S | * | * | trans | -155.2 | 130.7 | 154 | 6.4 | 0 | 0 | 0 | 0 | 110.9 | P304 | P304-T306 PolarHBondContact O-N 3.03Š| ||
| 307 | G | 31.8 | Very low | 35.6 | Very low | 79 Ų | 79 | 115 Ų | 115 | 81% | 0.814 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 107.3 | 149.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 308 | G | 33.2 | Very low | 36.3 | Very low | 47 Ų | 47 | 115.4 Ų | 115.4 | 49% | 0.485 | 68% | 0.679 | S | S | . | * | trans | -74.7 | 148.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V310 V326 | G308-V310 PolarHBondContact O-N 3.46Å; G308-V326 WeakPolarHBondContact CA-O 3.32Å | ||
| 309 | V | 35.6 | Very low | 37 | Very low | 100 Ų | 100 | 107.5 Ų | 107.5 | 61% | 0.606 | 66% | 0.657 | S | S | * | * | trans | -71 | 113.6 | 178.2 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 310 | V | 34.8 | Very low | 37.8 | Very low | 77 Ų | 77 | 104.4 Ų | 104.4 | 47% | 0.467 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78 | 122.7 | 173.3 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | G308 V312 I323 I324 | G308-V310 PolarHBondContact O-N 3.46Å; V310-V312 HydrophobicContact CG1-CG2 4.44Å; V310-I323 HydrophobicContact CG1-CG2 3.58Å; V310-I324 WeakPolarHBondContact CA-O 3.46Å |
| 311 | K | 40.1 | Very low | 39 | Very low | 119 Ų | 119 | 101.3 Ų | 101.3 | 52% | 0.517 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.5 | 166.6 | -67.2 | 175.2 | -176.1 | 167.6 | 0 | 109.7 | I324 | K311-I324 HydrophobicContact CB-CB 4.23Å; K311-I324 PolarHBondContact N-O 2.67Å; K311-I324 WeakPolarHBondContact O-CB 3.34Å; K311-I324 PolarHBondContact O-N 3.36Å |
| 312 | V | 36.8 | Very low | 39.5 | Very low | 81 Ų | 81 | 99.1 Ų | 99.1 | 49% | 0.491 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 127.1 | 168.7 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | V310 V321 | V310-V312 HydrophobicContact CG1-CG2 4.44Å; V312-V321 HydrophobicContact CG1-CG1 4.47Å |
| 313 | I | 45.7 | Very low | 40.6 | Very low | 78 Ų | 78 | 93.9 Ų | 93.9 | 40% | 0.4 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.8 | 106.6 | 173.2 | -56 | -176.3 | 0 | 0 | 0 | 108.3 | R322 I324 | I313-R322 PolarHBondContact N-O 3.48Å; I313-R322 VanDerWaalsContact N-O 3.16Å; I313-I324 HydrophobicContact CD1-CD1 3.63Å; I313-I324 HydrophobicContact CG1-CD1 4.13Å |
| 314 | N | 35.3 | Very low | 41.1 | Very low | 114 Ų | 114 | 86.9 Ų | 86.9 | 61% | 0.61 | 53% | 0.528 | S | S | * | . | trans | -67 | 140.5 | 172.5 | -68.5 | 15.1 | 0 | 0 | 0 | 109.7 | ||||
| 315 | A | 40.4 | Very low | 41.6 | Very low | 30 Ų | 30 | 83.6 Ų | 83.6 | 25% | 0.248 | 51% | 0.508 | C | S | . | . | trans | -122.1 | 159.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 316 | P | 36.1 | Very low | 42.2 | Very low | 109 Ų | 109 | 78.1 Ų | 78.1 | 71% | 0.708 | 48% | 0.48 | S | S | * | . | trans | -62.1 | 164.7 | 176 | 26 | -34.5 | 0 | 0 | 0 | 112.2 | D318 S319 | P316-D318 PolarHBondContact O-N 3.4Å; P316-S319 PolarHBondContact O-N 2.94Å; P316-S319 VanDerWaalsContact O-N 3.13Å | ||
| 317 | S | 44.3 | Very low | 42.7 | Very low | 117 Ų | 117 | 76.2 Ų | 76.2 | 82% | 0.818 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 3.8 | -154.4 | 56.6 | 0 | 0 | 0 | 0 | 119.4 | ||
| 318 | D | 47.2 | Very low | 43.1 | Very low | 164 Ų | 164 | 76.1 Ų | 76.1 | 88% | 0.877 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | 24.9 | -178.4 | -160.8 | 33.3 | 0 | 0 | 0 | 111.6 | P316 | P316-D318 PolarHBondContact O-N 3.4Š|
| 319 | S | 46.8 | Very low | 43.8 | Very low | 50 Ų | 50 | 77 Ų | 77 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -135.3 | 134 | -175.7 | -159.8 | 0 | 0 | 0 | 0 | 110.9 | P316 | P316-S319 PolarHBondContact O-N 2.94Å; P316-S319 VanDerWaalsContact O-N 3.13Å |
| 320 | P | 50.3 | Low | 44 | Very low | 53 Ų | 53 | 78.3 Ų | 78.3 | 34% | 0.344 | 44% | 0.444 | S | S | . | . | trans | -64.6 | 143.1 | -170.9 | 25 | -35 | 0 | 0 | 0 | 112.7 | R322 C756 Y757 R758 | P320-R322 PolarHBondContact O-N 2.81Å; P320-C756 HydrophobicContact CB-CB 4.48Å; P320-Y757 CarbonylContact C-O 3.54Å; P320-Y757 WeakPolarHBondContact CA-O 3.5Å; P320-Y757 WeakPolarHBondContact CB-O 3.48Å; P320-R758 HydrophobicContact CB-CB 4.09Å | ||
| 321 | V | 55.2 | Low | 44.3 | Very low | 45 Ų | 45 | 79.4 Ų | 79.4 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 118.3 | 177.8 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | V312 I323 C756 Y757 | V312-V321 HydrophobicContact CG1-CG1 4.47Å; V321-I323 HydrophobicContact CG1-CG1 4.5Å; V321-C756 WeakPolarHBondContact O-CA 3.45Å; V321-Y757 PolarHBondContact N-O 3.31Å; V321-Y757 PolarHBondContact O-N 3.04Å |
| 322 | R | 50.6 | Low | 44.1 | Very low | 94 Ų | 94 | 78.3 Ų | 78.3 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112.9 | -179.4 | -68.7 | -172.6 | -76.8 | -101.1 | 2.6 | 110.2 | I313 P320 | I313-R322 PolarHBondContact N-O 3.48Å; I313-R322 VanDerWaalsContact N-O 3.16Å; P320-R322 PolarHBondContact O-N 2.81Å |
| 323 | I | 54.4 | Low | 44 | Very low | 16 Ų | 16 | 84 Ų | 84 | 8% | 0.082 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.6 | 166.8 | -54.5 | -161 | 0 | 0 | 0 | 107.8 | V310 V321 K755 Y757 | V310-I323 HydrophobicContact CG1-CG2 3.58Å; V321-I323 HydrophobicContact CG1-CG1 4.5Å; I323-K755 PolarHBondContact N-O 2.91Å; I323-K755 PolarHBondContact O-N 3.04Å; I323-K755 VanDerWaalsContact O-O 3.1Å; I323-Y757 HydrophobicContact CB-CE2 4.43Å; I323-Y757 HydrophobicContact CD1-CD2 4.2Å; I323-Y757 HydrophobicContact CD1-CE2 3.6Å; I323-Y757 HydrophobicContact CG1-CD2 4.2Å; I323-Y757 HydrophobicContact CG1-CE2 3.9Å |
| 324 | I | 48.2 | Very low | 43.3 | Very low | 22 Ų | 22 | 86.5 Ų | 86.5 | 11% | 0.113 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.2 | -173.4 | -60 | 174.6 | 0 | 0 | 0 | 108.7 | V310 K311 I313 V326 E752 V754 | V310-I324 WeakPolarHBondContact CA-O 3.46Å; K311-I324 HydrophobicContact CB-CB 4.23Å; K311-I324 PolarHBondContact N-O 2.67Å; K311-I324 WeakPolarHBondContact O-CB 3.34Å; K311-I324 PolarHBondContact O-N 3.36Å; I313-I324 HydrophobicContact CD1-CD1 3.63Å; I313-I324 HydrophobicContact CG1-CD1 4.13Å; I324-V326 HydrophobicContact CG2-CG2 4.42Å; I324-E752 HydrophobicContact CG2-CG 4.19Å; I324-E752 WeakPolarHBondContact CG2-OE1 3.25Å; I324-E752 WeakPolarHBondContact CG2-OE2 3.36Å; I324-V754 HydrophobicContact CG1-CG1 4.3Å |
| 325 | C | 42.8 | Very low | 43.2 | Very low | 48 Ų | 48 | 84.4 Ų | 84.4 | 32% | 0.324 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 98.2 | 178.2 | -64.8 | 0 | 0 | 0 | 0 | 109.9 | M327 K753 | C325-M327 PolarHBondContact O-N 3.4Å; C325-K753 WeakPolarHBondContact CB-O 3.42Å |
| 326 | V | 41.4 | Very low | 42.7 | Very low | 52 Ų | 52 | 89.3 Ų | 89.3 | 32% | 0.315 | 53% | 0.528 | S | S | . | . | trans | -73 | 122.3 | 177.6 | -168.8 | 0 | 0 | 0 | 0 | 109.8 | G308 I324 | G308-V326 WeakPolarHBondContact CA-O 3.32Å; I324-V326 HydrophobicContact CG2-CG2 4.42Å | ||
| 327 | M | 44.9 | Very low | 42.5 | Very low | 106 Ų | 106 | 91.3 Ų | 91.3 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | trans | -117.4 | 115.5 | 168.3 | -64.8 | 179.7 | 76 | 0 | 0 | 108.2 | C325 | C325-M327 PolarHBondContact O-N 3.4Š| ||
| 328 | D | 41.1 | Very low | 41.9 | Very low | 77 Ų | 77 | 90.7 Ų | 90.7 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | trans | -93.1 | 118.6 | 175.1 | -162.9 | -53.4 | 0 | 0 | 0 | 109.8 | N330 S331 | D328-N330 PolarHBondContact O-N 2.82Å; D328-N330 WeakPolarHBondContact OD1-CB 3.34Å; D328-N330 PolarHBondContact OD1-N 3.25Å; D328-N330 PolarHBondContact OD1-ND2 2.83Å; D328-S331 WeakPolarHBondContact O-CB 3.38Å; D328-S331 PolarHBondContact O-N 3.01Å | ||
| 329 | P | 46.9 | Very low | 41.2 | Very low | 66 Ų | 66 | 87.3 Ų | 87.3 | 43% | 0.429 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -10.3 | -178.5 | 24.9 | -33.9 | 0 | 0 | 0 | 114.2 | Y751 | P329-Y751 HydrophobicContact CB-CE1 4.19Å; P329-Y751 HydrophobicContact CG-CE1 3.97Å |
| 330 | N | 41.3 | Very low | 40.6 | Very low | 126 Ų | 126 | 92.6 Ų | 92.6 | 67% | 0.674 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -0.2 | 179.6 | -53.3 | -83.1 | 0 | 0 | 0 | 113.5 | D328 S332 | D328-N330 PolarHBondContact O-N 2.82Å; D328-N330 WeakPolarHBondContact OD1-CB 3.34Å; D328-N330 PolarHBondContact OD1-N 3.25Å; D328-N330 PolarHBondContact OD1-ND2 2.83Å; N330-S332 PolarHBondContact O-N 2.96Å; N330-S332 VanDerWaalsContact O-N 3.08Å |
| 331 | S | 41 | Very low | 39.7 | Very low | 100 Ų | 100 | 98.9 Ų | 98.9 | 70% | 0.699 | 58% | 0.578 | S | S | * | * | trans | -67.8 | -8 | -174.3 | -169.5 | 0 | 0 | 0 | 0 | 114.9 | D328 | D328-S331 WeakPolarHBondContact O-CB 3.38Å; D328-S331 PolarHBondContact O-N 3.01Å | ||
| 332 | S | 34.8 | Very low | 38.6 | Very low | 97 Ų | 97 | 103 Ų | 103 | 68% | 0.678 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -100.7 | 34.3 | -171 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | N330 | N330-S332 PolarHBondContact O-N 2.96Å; N330-S332 VanDerWaalsContact O-N 3.08Å |
| 333 | K | 36 | Very low | 37.8 | Very low | 199 Ų | 199 | 101.6 Ų | 101.6 | 87% | 0.865 | 62% | 0.623 | S | S | * | * | trans | -150.5 | 36.6 | 178.1 | -125.5 | 166.7 | -169.9 | 172.7 | 0 | 116.9 | ||||
| 334 | T | 31.3 | Very low | 36.9 | Very low | 132 Ų | 132 | 110.4 Ų | 110.4 | 81% | 0.81 | 66% | 0.661 | S | S | * | * | trans | -110.4 | 93.6 | 173.6 | -49.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 335 | A | 32.4 | Very low | 36.4 | Very low | 70 Ų | 70 | 114.8 Ų | 114.8 | 58% | 0.579 | 69% | 0.691 | S | S | * | * | trans | -69.6 | 149.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N337 | A335-N337 PolarHBondContact O-N 2.89Š| ||
| 336 | P | 29.8 | Very low | 36 | Very low | 133 Ų | 133 | 118.5 Ų | 118.5 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -77.8 | 61 | -177.4 | 33.3 | -37 | 0 | 0 | 0 | 112.5 | ||
| 337 | N | 31.8 | Very low | 35.4 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -125.7 | 74.5 | 178.3 | -88.6 | -37.4 | 0 | 0 | 0 | 111 | A335 | A335-N337 PolarHBondContact O-N 2.89Š| ||
| 338 | A | 32.6 | Very low | 34.7 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -121.1 | 57.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 339 | A | 32.5 | Very low | 34.2 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | -67.3 | 142.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | Q341 | A339-Q341 PolarHBondContact O-N 3.28Š| ||
| 340 | L | 33.1 | Very low | 33.5 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -37.1 | 122.9 | 174.2 | -64 | 152.9 | 0 | 0 | 0 | 114.5 | ||||
| 341 | Q | 31.6 | Very low | 33 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | 171 | 132.1 | 125.1 | -94.7 | 157.5 | 91.2 | 0 | 0 | 114.4 | A339 | A339-Q341 PolarHBondContact O-N 3.28Š| |||
| 342 | S | 32 | Very low | 32.6 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | 161.6 | 151.7 | 109.5 | 56 | 0 | 0 | 0 | 0 | 113 | |||||
| 343 | G | 34.9 | Very low | 32.6 | Very low | 65 Ų | 65 | 135.9 Ų | 135.9 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | trans | 121.9 | 71.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 344 | K | 35.2 | Very low | 32.5 | Very low | 202 Ų | 202 | 135.3 Ų | 135.3 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | 78 | 149.1 | 84.7 | -81.3 | -167.9 | 171.5 | -174.8 | 0 | 114.2 | |||||
| 345 | P | 37.3 | Very low | 32.6 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | cis | -145.7 | 137.4 | -46.5 | 36.3 | -17.3 | 0 | 0 | 0 | 114.7 | ||||
| 346 | S | 34.3 | Very low | 32.5 | Very low | 126 Ų | 126 | 138 Ų | 138 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | trans | -159.6 | 104.2 | 162.7 | 38.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 347 | N | 27.9 | Very low | 32.7 | Very low | 156 Ų | 156 | 140 Ų | 140 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -5.5 | 129.4 | 141.3 | -122.7 | -2.1 | 0 | 0 | 0 | 118.4 | ||||
| 348 | I | 32.3 | Very low | 32.6 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | -178.6 | 160 | 109.6 | -93.7 | 160.8 | 0 | 0 | 0 | 111.6 | |||||
| 349 | N | 29.7 | Very low | 32.7 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -100.5 | 160.6 | -166.6 | -148.6 | -8.9 | 0 | 0 | 0 | 113.2 | ||||
| 350 | M | 32.3 | Very low | 32.6 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | trans | 156.8 | 120.7 | 147.1 | -86.8 | -168.7 | -76.2 | 0 | 0 | 107.8 | ||||
| 351 | S | 30.7 | Very low | 32.7 | Very low | 90 Ų | 90 | 142 Ų | 142 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | 64.1 | 139.3 | 60.7 | 82.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 352 | Q | 32.4 | Very low | 32.6 | Very low | 196 Ų | 196 | 139.7 Ų | 139.7 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | cis | -160.1 | 167 | 8.3 | -147.3 | 173.5 | 5.9 | 0 | 0 | 108.7 | ||||
| 353 | G | 34.5 | Very low | 32.9 | Very low | 78 Ų | 78 | 142 Ų | 142 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 159.5 | 85 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 354 | Q | 33.5 | Very low | 32.7 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -103.9 | 141.9 | 163.9 | -67 | 177.5 | -77.2 | 0 | 0 | 109.8 | ||||
| 355 | N | 33.8 | Very low | 32.9 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | 162.1 | 144 | 148.3 | -89.6 | -12.5 | 0 | 0 | 0 | 107.6 | ||||
| 356 | T | 30.2 | Very low | 32.7 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | cis | 166.9 | 167.9 | -19.8 | 26.8 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 357 | Q | 34.9 | Very low | 32.8 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | 71.4 | 122.8 | -178.8 | -60.9 | 173.4 | -12.4 | 0 | 0 | 112.3 | ||||
| 358 | S | 28.7 | Very low | 33.1 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | 76.6 | 138.4 | 50.8 | 82.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 359 | E | 34.4 | Very low | 33.3 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | cis | -139.1 | -170.3 | 22.2 | -69.6 | -178.9 | 91.7 | 0 | 0 | 114.6 | ||||
| 360 | N | 30.3 | Very low | 33.7 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -57.2 | 161.9 | 176.6 | -42.4 | -74.4 | 0 | 0 | 0 | 114.9 | ||||
| 361 | T | 35.4 | Very low | 33.9 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | 180 | 159.4 | 107.6 | -72.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 362 | N | 31.1 | Very low | 34.2 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -79.5 | -174.1 | -178.1 | -71.2 | -65.3 | 0 | 0 | 0 | 114.1 | ||||
| 363 | H | 37.3 | Very low | 34.4 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | 75.3 | 124.4 | 172.9 | -39.1 | -77.8 | 0 | 0 | 0 | 113.8 | ||||
| 364 | G | 30.1 | Very low | 34.5 | Very low | 76 Ų | 76 | 143.9 Ų | 143.9 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | cis | 115.7 | 111.2 | 2.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 365 | L | 39 | Very low | 34.7 | Very low | 182 Ų | 182 | 144 Ų | 144 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | trans | -152.9 | 145.1 | 170.1 | -103.3 | 175 | 0 | 0 | 0 | 110.6 | ||||
| 366 | S | 33.3 | Very low | 34.6 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | -97.1 | 164.1 | -179.7 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 367 | N | 37.9 | Very low | 34.8 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -159.1 | 138.6 | 139.3 | -97.2 | -30.1 | 0 | 0 | 0 | 111.8 | ||||
| 368 | N | 32.9 | Very low | 35 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -118.3 | 136.2 | 177.8 | -73.3 | -52.7 | 0 | 0 | 0 | 110.2 | ||||
| 369 | F | 37.5 | Very low | 35.5 | Very low | 203 Ų | 203 | 145.6 Ų | 145.6 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -168.6 | 139.9 | 161 | -99 | -84.4 | 0 | 0 | 0 | 107.2 | ||||
| 370 | S | 37.8 | Very low | 35.3 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | -159.5 | 177.8 | -20.3 | -109.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 371 | Q | 35.4 | Very low | 35.7 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -95.7 | 149.5 | -168.7 | -59.6 | 168.5 | -10.7 | 0 | 0 | 115.6 | ||||
| 372 | S | 37.7 | Very low | 35.8 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -168.9 | 112.4 | 149 | 34 | 0 | 0 | 0 | 0 | 108 | ||||
| 373 | S | 37.6 | Very low | 35.9 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | 62.3 | 136.8 | 89 | 72 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 374 | E | 36.6 | Very low | 35.9 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | cis | -177.6 | 146.2 | -8.8 | 171.3 | 172.1 | -178 | 0 | 0 | 107.1 | ||||
| 375 | F | 37.2 | Very low | 36.1 | Very low | 189 Ų | 189 | 143 Ų | 143 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | 178.9 | 146.5 | 140.1 | -108.3 | -71.3 | 0 | 0 | 0 | 111.9 | ||||
| 376 | T | 32 | Very low | 36 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 61% | 0.607 | 78% | 0.78 | S | S | * | * | trans | -136.6 | 144.4 | -167.2 | -66.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 377 | Y | 33.8 | Very low | 36.1 | Very low | 212 Ų | 212 | 145.1 Ų | 145.1 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -167.9 | 122.1 | 146.1 | -83.7 | -54 | 0 | 0 | 0 | 113.3 | ||||
| 378 | P | 39.1 | Very low | 35.7 | Very low | 110 Ų | 110 | 142 Ų | 142 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | trans | -132.7 | 139.6 | 159.9 | 37.1 | -23.6 | 0 | 0 | 0 | 114.2 | ||||
| 379 | I | 38.3 | Very low | 36.1 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -148.3 | 119.4 | 173.8 | -47.7 | -179.7 | 0 | 0 | 0 | 104.8 | ||||
| 380 | S | 31.7 | Very low | 36.1 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | 65.7 | 144 | 67.6 | -46.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 381 | T | 38.4 | Very low | 36 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | cis | -152 | 167.5 | 20.5 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 382 | T | 37.6 | Very low | 36.1 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | 58.6 | 112 | 142.8 | 51.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 383 | D | 31.9 | Very low | 35.8 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | 39.7 | 124.8 | 118.3 | -57.1 | -66.6 | 0 | 0 | 0 | 123.4 | |||||
| 384 | A | 38.1 | Very low | 35.7 | Very low | 104 Ų | 104 | 138 Ų | 138 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -155.6 | 132.2 | 135 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 385 | Q | 33.3 | Very low | 35.6 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -87.7 | 151.2 | 165.5 | -63.5 | -175.5 | 5.7 | 0 | 0 | 110.3 | ||||
| 386 | L | 37 | Very low | 35.9 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | -165.1 | 136.3 | 131.6 | -131 | 74.6 | 0 | 0 | 0 | 114.4 | ||||
| 387 | L | 36.5 | Very low | 36.1 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 52 | 132.2 | 155.4 | -100.3 | 70.4 | 0 | 0 | 0 | 123 | ||||
| 388 | S | 30.3 | Very low | 36.5 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -118.5 | 151.3 | 156.7 | 174.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 389 | P | 40.7 | Very low | 36.5 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | -134.1 | 142.8 | 107.3 | 35 | -24.3 | 0 | 0 | 0 | 111.8 | |||||
| 390 | Q | 37.4 | Very low | 36.9 | Very low | 159 Ų | 159 | 132 Ų | 132 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | cis | 83.8 | 137.7 | 44.2 | -157 | -166 | 13.8 | 0 | 0 | 113.6 | ||||
| 391 | Q | 36.3 | Very low | 37.3 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 81 | 142.2 | 174.1 | -49.2 | -168.5 | 7.9 | 0 | 0 | 115.7 | ||||
| 392 | V | 36.1 | Very low | 37.2 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | -145.2 | 162.1 | -5.8 | 106.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 393 | A | 31.7 | Very low | 37.1 | Very low | 85 Ų | 85 | 135.7 Ų | 135.7 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | -94 | 164.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 394 | S | 35.3 | Very low | 37.3 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -159.1 | 124.8 | 155.5 | -79.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 395 | I | 34.2 | Very low | 37.3 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -144.4 | 129 | 166.8 | -49.3 | 175.3 | 0 | 0 | 0 | 106.8 | ||||
| 396 | P | 43.9 | Very low | 37.3 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | -129.1 | 147.5 | 126.4 | 35.2 | -27.2 | 0 | 0 | 0 | 111 | |||||
| 397 | S | 36 | Very low | 37.3 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | 90.1 | 60 | 29.4 | -56.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 398 | E | 41.6 | Very low | 37.2 | Very low | 191 Ų | 191 | 126.7 Ų | 126.7 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | -140.9 | 166.3 | 152.8 | -72.2 | -167 | 132.8 | 0 | 0 | 109.4 | ||||
| 399 | S | 40.4 | Very low | 37.6 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | 177.4 | 148.1 | -77 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 400 | V | 46.2 | Very low | 37.5 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 66.9 | 157.6 | 168 | -130.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 401 | P | 40.6 | Very low | 37.4 | Very low | 104 Ų | 104 | 128 Ų | 128 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | -128.7 | 169.8 | -70.4 | 42.6 | -32.3 | 0 | 0 | 0 | 116.4 | |||||
| 402 | S | 35.3 | Very low | 37.5 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | 29.1 | 111.6 | 138.7 | -54.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 403 | K | 36.7 | Very low | 37.6 | Very low | 202 Ų | 202 | 131.6 Ų | 131.6 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | trans | -139.5 | 96.6 | 140.6 | -115.2 | 179.4 | -175.8 | 176.5 | 0 | 111.5 | V405 | K403-V405 PolarHBondContact O-N 3Š| ||
| 404 | V | 36.3 | Very low | 38.1 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | trans | -78.2 | 109.9 | 170.9 | 176.4 | 0 | 0 | 0 | 0 | 108.6 | N406 | V404-N406 WeakPolarHBondContact CG1-OD1 3.27Å; V404-N406 PolarHBondContact O-N 3.39Å | ||
| 405 | V | 37.8 | Very low | 38.1 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -95.9 | 85.5 | 173.3 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | K403 S407 | K403-V405 PolarHBondContact O-N 3Å; V405-S407 VanDerWaalsContact C-N 3.31Å; V405-S407 PolarHBondContact O-N 3.07Å | ||
| 406 | N | 33.4 | Very low | 38.3 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -75.7 | 82.7 | 169.5 | -76.6 | -16.4 | 0 | 0 | 0 | 109.8 | V404 S408 | V404-N406 WeakPolarHBondContact CG1-OD1 3.27Å; V404-N406 PolarHBondContact O-N 3.39Å; N406-S408 PolarHBondContact O-N 2.81Å | ||
| 407 | S | 36.2 | Very low | 38 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -76.3 | 72.5 | 171.4 | 62 | 0 | 0 | 0 | 0 | 110.8 | V405 I409 | V405-S407 VanDerWaalsContact C-N 3.31Å; V405-S407 PolarHBondContact O-N 3.07Å; S407-I409 VanDerWaalsContact C-N 3.32Å; S407-I409 PolarHBondContact O-N 3.02Å | ||
| 408 | S | 35.3 | Very low | 38.1 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -68 | 82.9 | 177.2 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | N406 | N406-S408 PolarHBondContact O-N 2.81Š| ||
| 409 | I | 39.3 | Very low | 37.8 | Very low | 143 Ų | 143 | 134 Ų | 134 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | -68.3 | 125 | 167.7 | -62.3 | 179.5 | 0 | 0 | 0 | 108.1 | S407 I411 | S407-I409 VanDerWaalsContact C-N 3.32Å; S407-I409 PolarHBondContact O-N 3.02Å; I409-I411 PolarHBondContact O-N 2.83Å; I409-I411 VanDerWaalsContact O-N 3.1Å | ||
| 410 | P | 38.3 | Very low | 37.7 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -69.8 | 110.1 | -176.5 | 27 | -33.9 | 0 | 0 | 0 | 111 | L412 | P410-L412 PolarHBondContact O-N 2.89Š| ||
| 411 | I | 35.5 | Very low | 37.3 | Very low | 145 Ų | 145 | 136 Ų | 136 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | -69.5 | 94.7 | 168.8 | -57.9 | 177.1 | 0 | 0 | 0 | 108.2 | I409 R413 | I409-I411 PolarHBondContact O-N 2.83Å; I409-I411 VanDerWaalsContact O-N 3.1Å; I411-R413 HydrophobicContact CG2-CG 4.09Å; I411-R413 PolarHBondContact O-N 3.12Å | ||
| 412 | L | 38.4 | Very low | 37.1 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -61 | 101.7 | 166.2 | -75.2 | 170.4 | 0 | 0 | 0 | 108.9 | P410 P414 | P410-L412 PolarHBondContact O-N 2.89Å; L412-P414 WeakPolarHBondContact O-CD 3.5Å | ||
| 413 | R | 37 | Very low | 37.2 | Very low | 216 Ų | 216 | 139.5 Ų | 139.5 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | trans | -90.7 | 111.2 | 171.2 | -70.2 | 179.9 | 174.6 | 166.8 | -2.6 | 109.8 | I411 K415 | I411-R413 HydrophobicContact CG2-CG 4.09Å; I411-R413 PolarHBondContact O-N 3.12Å; R413-K415 PolarHBondContact O-N 2.97Å; R413-K415 VanDerWaalsContact O-N 3.15Å | ||
| 414 | P | 43.5 | Very low | 37.2 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -71 | 107 | 162.3 | -9.3 | 26.9 | 0 | 0 | 0 | 108 | L412 L416 | L412-P414 WeakPolarHBondContact O-CD 3.5Å; P414-L416 PolarHBondContact O-N 3.42Å | ||
| 415 | K | 35.3 | Very low | 37.3 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -88 | 93.6 | 177.3 | -157.9 | -176.2 | -171.1 | -175 | 0 | 108.4 | R413 | R413-K415 PolarHBondContact O-N 2.97Å; R413-K415 VanDerWaalsContact O-N 3.15Å | ||
| 416 | L | 38.4 | Very low | 37.4 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -132 | 98.9 | 178.3 | -108.8 | 158.1 | 0 | 0 | 0 | 110.6 | P414 | P414-L416 PolarHBondContact O-N 3.42Š| ||
| 417 | N | 36.5 | Very low | 38.1 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -87 | 172.9 | 171.6 | -68 | 0.1 | 0 | 0 | 0 | 110.1 | ||||
| 418 | S | 38.8 | Very low | 38.6 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 84.2 | 86.5 | 167.4 | -144.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 419 | S | 35.7 | Very low | 39.1 | Very low | 98 Ų | 98 | 142 Ų | 142 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | 26.9 | 116.4 | 138.3 | 57.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 420 | N | 38 | Very low | 39.3 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | -157.9 | 141.1 | 128.6 | -100.9 | -41.3 | 0 | 0 | 0 | 111.2 | L422 | N420-L422 PolarHBondContact O-N 2.63Š| |||
| 421 | P | 37 | Very low | 39.4 | Very low | 118 Ų | 118 | 149.1 Ų | 149.1 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -88.3 | 92.4 | -178.1 | 34.1 | -32.5 | 0 | 0 | 0 | 111.5 | ||||
| 422 | L | 36.3 | Very low | 39.5 | Very low | 158 Ų | 158 | 150.8 Ų | 150.8 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -84.1 | 124.9 | 173.7 | -70.6 | 179 | 0 | 0 | 0 | 111.7 | N420 C424 | N420-L422 PolarHBondContact O-N 2.63Å; L422-C424 PolarHBondContact O-N 3.46Å | ||
| 423 | V | 37.3 | Very low | 39.6 | Very low | 125 Ų | 125 | 150 Ų | 150 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | trans | -74.7 | 108.4 | -178.3 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | I425 | V423-I425 HydrophobicContact CG1-CG1 4.16Å; V423-I425 PolarHBondContact O-N 3.5Å | ||
| 424 | C | 37.2 | Very low | 39.2 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -72.8 | 88.5 | 172.3 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | L422 A426 | L422-C424 PolarHBondContact O-N 3.46Å; C424-A426 PolarHBondContact O-N 2.92Å | ||
| 425 | I | 38.5 | Very low | 38.9 | Very low | 148 Ų | 148 | 149.1 Ų | 149.1 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 119 | 170.4 | -59 | 176.9 | 0 | 0 | 0 | 108.4 | V423 | V423-I425 HydrophobicContact CG1-CG1 4.16Å; V423-I425 PolarHBondContact O-N 3.5Å |
| 426 | A | 40.2 | Very low | 38.8 | Very low | 77 Ų | 77 | 145.8 Ų | 145.8 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 140.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C424 R428 | C424-A426 PolarHBondContact O-N 2.92Å; A426-R428 PolarHBondContact O-N 3.44Å |
| 427 | P | 47.7 | Very low | 38.6 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 124.3 | 174.7 | -23.8 | 33.8 | 0 | 0 | 0 | 111 | ||
| 428 | R | 46.8 | Very low | 38.5 | Very low | 224 Ų | 224 | 141.6 Ų | 141.6 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 138.7 | 172.1 | -71.6 | 179.7 | 174.2 | 166.4 | -1.8 | 109 | A426 N430 | A426-R428 PolarHBondContact O-N 3.44Å; R428-N430 PolarHBondContact O-N 3.22Å |
| 429 | P | 46.2 | Very low | 38.3 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63 | 127.9 | 173 | 26.8 | -33.5 | 0 | 0 | 0 | 109.4 | R431 | P429-R431 PolarHBondContact O-N 2.91Š|
| 430 | N | 43.2 | Very low | 38.3 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 132.9 | 177.7 | -87.3 | -24.6 | 0 | 0 | 0 | 110.3 | R428 L432 | R428-N430 PolarHBondContact O-N 3.22Å; N430-L432 PolarHBondContact O-N 3.28Å |
| 431 | R | 41.1 | Very low | 38.1 | Very low | 237 Ų | 237 | 142.7 Ų | 142.7 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 128.3 | 169.3 | -76 | -176.3 | 169.7 | -168.9 | -3.4 | 108.7 | P429 I433 | P429-R431 PolarHBondContact O-N 2.91Å; R431-I433 PolarHBondContact O-N 3.01Å |
| 432 | L | 36.6 | Very low | 38 | Very low | 181 Ų | 181 | 144.6 Ų | 144.6 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 118.8 | 165.4 | -77.8 | 156.4 | 0 | 0 | 0 | 109 | N430 | N430-L432 PolarHBondContact O-N 3.28Š|
| 433 | I | 39.8 | Very low | 37.6 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 125.2 | 162.8 | -64.1 | 179.1 | 0 | 0 | 0 | 106.4 | R431 I435 | R431-I433 PolarHBondContact O-N 3.01Å; I433-I435 HydrophobicContact CG2-CG1 4.37Å |
| 434 | Q | 29.4 | Very low | 37.4 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 121.3 | -178.1 | -178.1 | 178.2 | 4.8 | 0 | 0 | 109.9 | ||
| 435 | I | 37.7 | Very low | 37.1 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -136.8 | 122.6 | 167.8 | -18.8 | 177.8 | 0 | 0 | 0 | 107.6 | I433 | I433-I435 HydrophobicContact CG2-CG1 4.37Š| ||
| 436 | N | 33.5 | Very low | 37 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | trans | -93.8 | 150.6 | -178.9 | -69.7 | -8.8 | 0 | 0 | 0 | 110.7 | ||||
| 437 | S | 32.7 | Very low | 36.9 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 68.1 | 145.6 | 148.8 | -95.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 438 | T | 34.2 | Very low | 36.3 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | cis | -162.3 | 156.8 | -22.9 | 1.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 439 | N | 34.4 | Very low | 35.9 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 70.6 | 124.4 | 149.2 | -64.4 | -2.7 | 0 | 0 | 0 | 120.7 | ||||
| 440 | N | 35.9 | Very low | 35.5 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | 84.5 | 105.1 | 132.5 | -64.5 | 10.1 | 0 | 0 | 0 | 120.7 | ||||
| 441 | N | 35.5 | Very low | 35.3 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | 103.8 | 119.3 | 115.2 | -72.7 | 4.5 | 0 | 0 | 0 | 120.2 | |||||
| 442 | I | 33.9 | Very low | 35.2 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | 83.5 | 134.8 | 137.3 | -66.2 | 167.4 | 0 | 0 | 0 | 116.8 | ||||
| 443 | C | 28.3 | Very low | 35.1 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | -63.1 | 162.7 | 174.7 | -47.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 444 | E | 33.5 | Very low | 34.8 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | -164.2 | 160.7 | 50.8 | -76.5 | -167.3 | 177.1 | 0 | 0 | 113 | |||||
| 445 | N | 30.3 | Very low | 35.1 | Very low | 130 Ų | 130 | 128 Ų | 128 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | trans | 49.6 | 134.5 | 135.2 | -62 | -30 | 0 | 0 | 0 | 123.4 | ||||
| 446 | T | 35.5 | Very low | 35.2 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | trans | 90.1 | 97.7 | 141.4 | -55.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 447 | V | 37.9 | Very low | 35.4 | Very low | 123 Ų | 123 | 128 Ų | 128 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | 45.5 | 96.8 | 124.1 | -172.5 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 448 | T | 36.6 | Very low | 35.9 | Very low | 125 Ų | 125 | 127 Ų | 127 | 77% | 0.767 | 73% | 0.725 | S | S | * | * | trans | 32.9 | 138.4 | 136.5 | 34.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 449 | S | 38.7 | Very low | 36.1 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | trans | 107.3 | 86.7 | 150 | -57.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 450 | Q | 37.3 | Very low | 36 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | trans | -33.8 | 170.4 | 147.7 | -67.3 | -86.1 | 25.5 | 0 | 0 | 116.4 | ||||
| 451 | P | 39.2 | Very low | 36.1 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | cis | -135.8 | -178.9 | -19.3 | 27.1 | -4.4 | 0 | 0 | 0 | 114.2 | ||||
| 452 | V | 37.4 | Very low | 35.9 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | 159.1 | 105.9 | 122.6 | 162.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 453 | I | 34.6 | Very low | 36.1 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | 42.5 | 138.9 | 136 | -30.9 | 174.5 | 0 | 0 | 0 | 123.2 | ||||
| 454 | N | 35 | Very low | 36.1 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | 102.7 | 107.5 | 161.4 | -57.5 | -51 | 0 | 0 | 0 | 114.6 | ||||
| 455 | S | 34.1 | Very low | 36.3 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | 70 | 130.3 | 61.3 | 78 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 456 | S | 40.5 | Very low | 36.6 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | cis | -135.5 | -150.3 | 22 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 457 | E | 39.1 | Very low | 36.3 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | cis | -153.6 | -101.9 | 8.5 | -163.2 | 112.7 | -78 | 0 | 0 | 115.9 | ||||
| 458 | S | 41.4 | Very low | 36.3 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | trans | -132.1 | 164 | -157.5 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 459 | N | 38.5 | Very low | 36.1 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | cis | -133.4 | 147 | 1.8 | -64.1 | -88.8 | 0 | 0 | 0 | 107.7 | ||||
| 460 | Q | 33.4 | Very low | 35.9 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 67% | 0.673 | 76% | 0.756 | S | S | * | * | cis | 67.5 | 88.7 | 48 | -76.3 | -74.7 | 32.8 | 0 | 0 | 116.7 | ||||
| 461 | I | 38.5 | Very low | 35.9 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -136.5 | 121.1 | 134.3 | -62.3 | -172.9 | 0 | 0 | 0 | 108.2 | ||||
| 462 | Y | 30 | Very low | 35.6 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | trans | -92.8 | 156.6 | 171.2 | -120.7 | -106.8 | 0 | 0 | 0 | 110 | ||||
| 463 | L | 37.6 | Very low | 35.4 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | trans | -167.2 | 140.5 | 134.5 | -105 | 161.8 | 0 | 0 | 0 | 113.4 | ||||
| 464 | S | 29.3 | Very low | 35.6 | Very low | 91 Ų | 91 | 140.3 Ų | 140.3 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -82.8 | 170.7 | -159.5 | -55.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 465 | P | 38.3 | Very low | 35.5 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -93.1 | 170.5 | -172.3 | 37.6 | -36.2 | 0 | 0 | 0 | 114.8 | ||||
| 466 | S | 35.9 | Very low | 35.3 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -149 | 146.6 | 174.3 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 467 | Y | 29.5 | Very low | 34.9 | Very low | 229 Ų | 229 | 143.3 Ų | 143.3 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | trans | -109.6 | 155.9 | 173.7 | -78.1 | -96.7 | 0 | 0 | 0 | 111.1 | ||||
| 468 | S | 38.3 | Very low | 34.5 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -150.1 | 160.6 | 152.6 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 469 | I | 31.1 | Very low | 34.1 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -138.9 | 167.9 | -172.9 | -56.6 | 174.8 | 0 | 0 | 0 | 107.5 | ||||
| 470 | Q | 36 | Very low | 33.9 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 86.3 | 144.7 | 171.2 | -54.1 | -174.1 | -58.9 | 0 | 0 | 115.5 | ||||
| 471 | H | 36.1 | Very low | 34.3 | Very low | 151 Ų | 151 | 145 Ų | 145 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | cis | -159.3 | 172 | -10.1 | -115.3 | -38 | 0 | 0 | 0 | 112.6 | ||||
| 472 | Q | 34.1 | Very low | 34.1 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 69.7 | 93.2 | 155.9 | -76.4 | 174.9 | -1.5 | 0 | 0 | 122.6 | ||||
| 473 | T | 32.7 | Very low | 34.6 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | 9.2 | 159.1 | 113 | 56.2 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 474 | P | 38 | Very low | 34.6 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -142.1 | -178.3 | 15 | 27.3 | -1.1 | 0 | 0 | 0 | 118.6 | ||||
| 475 | V | 32.9 | Very low | 35 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | trans | 68.5 | 132.2 | 151.6 | -76.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 476 | N | 30.7 | Very low | 35.1 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | 75.3 | 140.8 | 141.9 | -70.5 | -10.2 | 0 | 0 | 0 | 119.4 | ||||
| 477 | L | 31.1 | Very low | 35.6 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 71% | 0.707 | 76% | 0.763 | S | S | * | * | cis | -163.4 | 141 | -5.2 | -172.3 | 65.1 | 0 | 0 | 0 | 112.6 | ||||
| 478 | I | 30.5 | Very low | 36.2 | Very low | 140 Ų | 140 | 137 Ų | 137 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | 40.9 | 121.9 | 155.9 | -62.7 | 166.3 | 0 | 0 | 0 | 120.6 | ||||
| 479 | R | 33.9 | Very low | 36.6 | Very low | 224 Ų | 224 | 138.9 Ų | 138.9 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | -175.9 | 134.1 | 110.1 | 176.9 | 165.1 | -82 | 177.8 | -4.9 | 112 | |||||
| 480 | P | 34.3 | Very low | 37.2 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | trans | -85.5 | 153.9 | 171.6 | 34.5 | -34.8 | 0 | 0 | 0 | 112.6 | ||||
| 481 | S | 40.9 | Very low | 37.4 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -110.7 | 131 | 173 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 482 | N | 35.8 | Very low | 37.6 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 119.9 | -174.9 | -56.3 | -28.9 | 0 | 0 | 0 | 111 | ||
| 483 | S | 40.3 | Very low | 37.9 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 120.2 | 172.1 | -65.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 484 | T | 37.3 | Very low | 38.3 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -94 | 133.6 | 176.6 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 485 | V | 38.3 | Very low | 38.3 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 137.8 | 168.2 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 486 | V | 40.1 | Very low | 38.6 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | trans | -109.5 | 133.2 | -173.6 | 178 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 487 | I | 44.8 | Very low | 39 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | trans | -138.1 | 142.9 | 165.8 | -56.7 | -179 | 0 | 0 | 0 | 107.1 | N489 | I487-N489 PolarHBondContact O-N 3.32Š| ||
| 488 | D | 43.9 | Very low | 39.1 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.1 | 47.3 | 170.5 | -62.9 | -11.6 | 0 | 0 | 0 | 119 | K490 | D488-K490 PolarHBondContact O-N 3.08Š|
| 489 | N | 45 | Very low | 39.4 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.9 | 22.9 | 149.7 | -72.8 | -11.9 | 0 | 0 | 0 | 118.6 | I487 | I487-N489 PolarHBondContact O-N 3.32Š|
| 490 | K | 45.5 | Very low | 39.5 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -132.2 | 115.9 | 174.6 | -70.3 | -170.4 | 178.1 | -179.8 | 0 | 112 | D488 V492 | D488-K490 PolarHBondContact O-N 3.08Å; K490-V492 PolarHBondContact O-N 3.25Å | ||
| 491 | P | 38.6 | Very low | 39.3 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -74.8 | 119.9 | 177.3 | 29.8 | -32.9 | 0 | 0 | 0 | 110.6 | ||||
| 492 | V | 41.7 | Very low | 39.1 | Very low | 107 Ų | 107 | 136 Ų | 136 | 65% | 0.648 | 78% | 0.78 | S | S | * | * | trans | -115.2 | 103.5 | 172.3 | -177.1 | 0 | 0 | 0 | 0 | 109 | K490 F494 | K490-V492 PolarHBondContact O-N 3.25Å; V492-F494 HydrophobicContact CG1-CD2 4.04Å; V492-F494 HydrophobicContact CG1-CE2 3.56Å; V492-F494 HydrophobicContact CG1-CZ 4.09Å | ||
| 493 | V | 40.4 | Very low | 39.1 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -89.9 | 112.3 | 179.5 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 494 | F | 39.5 | Very low | 39.1 | Very low | 190 Ų | 190 | 133.6 Ų | 133.6 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | trans | -92.3 | 95.8 | 167.4 | -77.9 | -75.3 | 0 | 0 | 0 | 110.3 | V492 | V492-F494 HydrophobicContact CG1-CD2 4.04Å; V492-F494 HydrophobicContact CG1-CE2 3.56Å; V492-F494 HydrophobicContact CG1-CZ 4.09Å | ||
| 495 | A | 38.6 | Very low | 39.2 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | trans | -78.7 | 122.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 496 | S | 38.7 | Very low | 39.2 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -100.2 | 107.4 | 173.3 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | P498 | S496-P498 WeakPolarHBondContact O-CD 3.19Š| ||
| 497 | N | 39.2 | Very low | 39.2 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -90.3 | 125.5 | 178.1 | -74.4 | -11.7 | 0 | 0 | 0 | 111.9 | ||||
| 498 | P | 33.7 | Very low | 39.1 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -104.7 | 125.4 | 168 | 35.2 | -26.8 | 0 | 0 | 0 | 112.1 | S496 | S496-P498 WeakPolarHBondContact O-CD 3.19Š| ||
| 499 | T | 37.7 | Very low | 38.9 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -153.8 | 101.3 | 168.5 | -48.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 500 | I | 35.6 | Very low | 38.5 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | 73.5 | 133.3 | 74.7 | -63.1 | 178.7 | 0 | 0 | 0 | 112.9 | |||||
| 501 | L | 30.4 | Very low | 38.5 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -53.7 | 153.3 | -166.5 | -75.8 | 59.6 | 0 | 0 | 0 | 116.2 | ||||
| 502 | T | 37.1 | Very low | 38.6 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | -157.1 | 157.8 | 113.1 | 21.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 503 | S | 35.5 | Very low | 38.4 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -149.2 | 163.4 | 170.6 | 65.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 504 | P | 40.4 | Very low | 38.3 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | -153.7 | 159.6 | 108 | 38 | -20.3 | 0 | 0 | 0 | 117.8 | |||||
| 505 | Q | 37.8 | Very low | 38.4 | Very low | 183 Ų | 183 | 137 Ų | 137 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | 49.3 | 135.2 | 142.6 | -69.2 | -174.7 | -42.7 | 0 | 0 | 124.2 | ||||
| 506 | V | 39.2 | Very low | 38.5 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | 165.6 | 139.9 | 115.3 | 152.1 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 507 | Q | 40 | Very low | 38.3 | Very low | 169 Ų | 169 | 146 Ų | 146 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | cis | -169 | 167.9 | -21.1 | -177.7 | 173.7 | 9.1 | 0 | 0 | 107.8 | ||||
| 508 | S | 42.2 | Very low | 38.3 | Very low | 93 Ų | 93 | 144.4 Ų | 144.4 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | 73.3 | 166 | 173.3 | -78.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 509 | Q | 39.7 | Very low | 38.2 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | cis | -171.9 | 158.3 | -35.6 | -100.4 | -164.5 | 95.8 | 0 | 0 | 106 | ||||
| 510 | R | 37.2 | Very low | 38.3 | Very low | 211 Ų | 211 | 147 Ų | 147 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | cis | -147.6 | -167.6 | -8.4 | -129.4 | -163.9 | 170.4 | 145.6 | -7.9 | 107.8 | ||||
| 511 | P | 44.8 | Very low | 38.4 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | trans | -137.9 | -153.8 | -138.9 | 42.4 | -17.9 | 0 | 0 | 0 | 116.3 | ||||
| 512 | Q | 41 | Very low | 38.7 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | 94 | 141.6 | 171 | -47.5 | -60.4 | 11.9 | 0 | 0 | 115.7 | ||||
| 513 | L | 38.1 | Very low | 38.7 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | cis | -143.8 | 123.1 | 5.4 | -159.8 | 133.9 | 0 | 0 | 0 | 115.5 | ||||
| 514 | V | 38.5 | Very low | 38.7 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 63% | 0.63 | 76% | 0.763 | S | S | * | * | trans | 2.6 | 125.6 | 153.7 | -167.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 515 | Q | 41.4 | Very low | 38.5 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | 168.3 | 148.5 | 125.2 | -93 | -179.8 | 18.9 | 0 | 0 | 110.6 | |||||
| 516 | R | 39.7 | Very low | 38.3 | Very low | 198 Ų | 198 | 143 Ų | 143 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | cis | -169.7 | 109.7 | -28.9 | -126.2 | -164.5 | 178.7 | -168.1 | 0.3 | 109.4 | ||||
| 517 | F | 35.9 | Very low | 37.8 | Very low | 184 Ų | 184 | 144.8 Ų | 144.8 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | 57.4 | 150.7 | 165.5 | -48.4 | -69.7 | 0 | 0 | 0 | 118.4 | ||||
| 518 | S | 37.7 | Very low | 37.3 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | cis | -140.5 | 165.3 | 21.9 | -71.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 519 | V | 32.8 | Very low | 36.7 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | -55 | 134.7 | -175.3 | -171.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 520 | I | 38.3 | Very low | 36.3 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | -174.8 | 144.1 | 122.3 | -92.8 | 159.3 | 0 | 0 | 0 | 109.7 | |||||
| 521 | A | 38 | Very low | 35.9 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -92.7 | 158 | -171 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 522 | P | 36.7 | Very low | 35.1 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 84% | 0.844 | 75% | 0.753 | S | S | * | * | trans | -90.6 | 159.9 | -163.6 | 35.8 | -36.9 | 0 | 0 | 0 | 115.2 | ||||
| 523 | K | 37 | Very low | 34.7 | Very low | 186 Ų | 186 | 135 Ų | 135 | 81% | 0.809 | 75% | 0.746 | S | S | * | * | trans | -107.5 | 133.1 | 165.4 | -171.3 | 175.1 | -176.8 | 177.2 | 0 | 109.3 | T525 | K523-T525 PolarHBondContact O-N 2.93Š| ||
| 524 | P | 35.7 | Very low | 34.5 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | trans | -77.1 | 96.5 | -176.6 | 30.1 | -34.4 | 0 | 0 | 0 | 111.4 | V526 | P524-V526 PolarHBondContact O-N 2.87Š| ||
| 525 | T | 36 | Very low | 34.7 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -76.6 | 100.6 | 167.7 | -48.6 | 0 | 0 | 0 | 0 | 108.7 | K523 Q527 | K523-T525 PolarHBondContact O-N 2.93Å; T525-Q527 PolarHBondContact O-N 2.91Å | ||
| 526 | V | 34.3 | Very low | 35 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -71.7 | 84.4 | 171.7 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | P524 S528 | P524-V526 PolarHBondContact O-N 2.87Å; V526-S528 VanDerWaalsContact C-N 3.31Å; V526-S528 PolarHBondContact O-N 2.88Å | ||
| 527 | Q | 28.2 | Very low | 35.5 | Very low | 173 Ų | 173 | 121.2 Ų | 121.2 | 81% | 0.808 | 68% | 0.677 | S | S | * | * | trans | -78.6 | 81.3 | -179.6 | -169.4 | 171.4 | 6.1 | 0 | 0 | 109.6 | T525 S529 | T525-Q527 PolarHBondContact O-N 2.91Å; Q527-S529 PolarHBondContact O-N 3.31Å; Q527-S529 VanDerWaalsContact O-N 3.07Å | ||
| 528 | S | 29.4 | Very low | 36.1 | Very low | 93 Ų | 93 | 118.5 Ų | 118.5 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | trans | -58.3 | 110.8 | 171.9 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | V526 V530 | V526-S528 VanDerWaalsContact C-N 3.31Å; V526-S528 PolarHBondContact O-N 2.88Å; S528-V530 VanDerWaalsContact C-N 3.31Å; S528-V530 WeakPolarHBondContact O-CG2 3.42Å; S528-V530 PolarHBondContact O-N 2.6Å | ||
| 529 | S | 31.3 | Very low | 36.4 | Very low | 99 Ų | 99 | 117.2 Ų | 117.2 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | trans | -77.1 | 81.4 | 176.6 | 42.5 | 0 | 0 | 0 | 0 | 110.1 | Q527 N531 | Q527-S529 PolarHBondContact O-N 3.31Å; Q527-S529 VanDerWaalsContact O-N 3.07Å; S529-N531 PolarHBondContact O-N 2.85Å | ||
| 530 | V | 30.1 | Very low | 37.2 | Very low | 105 Ų | 105 | 121.1 Ų | 121.1 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | trans | -67.3 | 90.7 | 179.6 | -159.8 | 0 | 0 | 0 | 0 | 110.1 | S528 Q532 | S528-V530 VanDerWaalsContact C-N 3.31Å; S528-V530 WeakPolarHBondContact O-CG2 3.42Å; S528-V530 PolarHBondContact O-N 2.6Å; V530-Q532 PolarHBondContact O-N 3.42Å | ||
| 531 | N | 28.4 | Very low | 37.1 | Very low | 142 Ų | 142 | 118.9 Ų | 118.9 | 76% | 0.759 | 66% | 0.655 | S | S | * | * | trans | -65.6 | 105.5 | 177.5 | -85.6 | -51.3 | 0 | 0 | 0 | 110.4 | S529 T533 | S529-N531 PolarHBondContact O-N 2.85Å; N531-T533 PolarHBondContact O-N 3.39Å | ||
| 532 | Q | 27.7 | Very low | 37.2 | Very low | 128 Ų | 128 | 121 Ų | 121 | 60% | 0.598 | 66% | 0.66 | S | S | * | * | trans | -75.5 | 90.3 | -177.8 | -62.2 | -179.5 | 3.3 | 0 | 0 | 111 | V530 Y534 | V530-Q532 PolarHBondContact O-N 3.42Å; Q532-Y534 HydrophobicContact CB-CD2 4.11Å; Q532-Y534 HydrophobicContact CB-CE2 3.61Å; Q532-Y534 WeakPolarHBondContact O-CD2 3.48Å; Q532-Y534 PolarHBondContact O-N 3.48Å; Q532-Y534 PolarHBondContact OE1-OH 3.47Å | ||
| 533 | T | 34 | Very low | 37.2 | Very low | 91 Ų | 91 | 119.4 Ų | 119.4 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | trans | -77.9 | 85.9 | 175.1 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | N531 V535 | N531-T533 PolarHBondContact O-N 3.39Å; T533-V535 HydrophobicContact CG2-CG2 4.18Å; T533-V535 PolarHBondContact O-N 2.59Å | ||
| 534 | Y | 33.9 | Very low | 37.3 | Very low | 147 Ų | 147 | 116.2 Ų | 116.2 | 58% | 0.576 | 64% | 0.643 | S | S | * | * | trans | -68.7 | 107.5 | 170.8 | -69.1 | -86.4 | 0 | 0 | 0 | 110.8 | Q532 Q536 N729 | Q532-Y534 HydrophobicContact CB-CD2 4.11Å; Q532-Y534 HydrophobicContact CB-CE2 3.61Å; Q532-Y534 WeakPolarHBondContact O-CD2 3.48Å; Q532-Y534 PolarHBondContact O-N 3.48Å; Q532-Y534 PolarHBondContact OE1-OH 3.47Å; Y534-Q536 PolarHBondContact O-N 3.41Å; Y534-N729 PolarHBondContact O-ND2 3.2Å | ||
| 535 | V | 42.6 | Very low | 37.5 | Very low | 34 Ų | 34 | 116.2 Ų | 116.2 | 21% | 0.206 | 64% | 0.641 | C | S | . | * | trans | -91.9 | 101.1 | 175.3 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | T533 I537 M734 | T533-V535 HydrophobicContact CG2-CG2 4.18Å; T533-V535 PolarHBondContact O-N 2.59Å; V535-I537 HydrophobicContact CG1-CD1 4.49Å; V535-I537 HydrophobicContact CG1-CG1 3.91Å; V535-I537 PolarHBondContact O-N 3.33Å; V535-M734 HydrophobicContact CG2-CE 4.11Å | ||
| 536 | Q | 47.7 | Very low | 37.5 | Very low | 136 Ų | 136 | 116.3 Ų | 116.3 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | trans | -80.9 | 102.3 | 174.1 | -177.1 | 165.4 | -16.8 | 0 | 0 | 110.2 | Y534 L538 Q728 | Y534-Q536 PolarHBondContact O-N 3.41Å; Q536-L538 PolarHBondContact O-N 3.22Å; Q536-Q728 VanDerWaalsContact O-CD 3.25Å; Q536-Q728 PolarHBondContact O-NE2 3.45Å | ||
| 537 | I | 49.8 | Very low | 37.6 | Very low | 23 Ų | 23 | 118.9 Ų | 118.9 | 12% | 0.118 | 65% | 0.645 | C | S | . | * | trans | -89.9 | 103.8 | -179.2 | -49.2 | -176.7 | 0 | 0 | 0 | 109.3 | V535 V725 L736 Y757 | V535-I537 HydrophobicContact CG1-CD1 4.49Å; V535-I537 HydrophobicContact CG1-CG1 3.91Å; V535-I537 PolarHBondContact O-N 3.33Å; I537-V725 HydrophobicContact CB-CG1 4.5Å; I537-V725 HydrophobicContact CD1-CG1 4.23Å; I537-V725 HydrophobicContact CG1-CG1 4Å; I537-V725 HydrophobicContact CG2-CG1 4Å; I537-L736 HydrophobicContact CD1-CD1 3.77Å; I537-Y757 HydrophobicContact CD1-CD1 3.52Å; I537-Y757 HydrophobicContact CD1-CD2 3.96Å; I537-Y757 HydrophobicContact CD1-CE1 3.99Å; I537-Y757 HydrophobicContact CD1-CE2 4.38Å; I537-Y757 HydrophobicContact CD1-CG 3.51Å; I537-Y757 HydrophobicContact CG2-CE1 4.26Å | ||
| 538 | L | 48.5 | Very low | 38 | Very low | 127 Ų | 127 | 115.2 Ų | 115.2 | 67% | 0.665 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 131.3 | 168.6 | -165.9 | 73.9 | 0 | 0 | 0 | 108.7 | Q536 R540 | Q536-L538 PolarHBondContact O-N 3.22Å; L538-R540 PolarHBondContact O-N 3.4Å |
| 539 | P | 44.8 | Very low | 38.5 | Very low | 92 Ų | 92 | 115.4 Ų | 115.4 | 60% | 0.597 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -63 | 127.6 | 176.9 | 25.7 | -33.5 | 0 | 0 | 0 | 110.3 | ||
| 540 | R | 48 | Very low | 38.7 | Very low | 214 Ų | 214 | 121.3 Ų | 121.3 | 81% | 0.808 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -68 | 136.4 | 171.8 | -167.5 | 176.7 | -175.3 | -168.3 | -2.7 | 108.6 | L538 T542 | L538-R540 PolarHBondContact O-N 3.4Å; R540-T542 PolarHBondContact O-N 3.21Å |
| 541 | P | 36.9 | Very low | 39.5 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 76% | 0.76 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -64 | 127.2 | 177.5 | 25.8 | -34.1 | 0 | 0 | 0 | 110.4 | ||
| 542 | T | 39.5 | Very low | 40.2 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 81% | 0.81 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 123.9 | 171.5 | -48.8 | 0 | 0 | 0 | 0 | 109.1 | R540 T544 | R540-T542 PolarHBondContact O-N 3.21Å; T542-T544 PolarHBondContact O-N 2.86Å |
| 543 | V | 38.5 | Very low | 40.5 | Very low | 95 Ų | 95 | 121 Ų | 121 | 58% | 0.576 | 67% | 0.669 | S | S | * | * | trans | -79.7 | 111.1 | 172.8 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | T545 | V543-T545 VanDerWaalsContact C-N 3.33Å; V543-T545 PolarHBondContact O-N 2.97Å | ||
| 544 | T | 37.6 | Very low | 40.7 | Very low | 120 Ų | 120 | 125 Ų | 125 | 74% | 0.736 | 69% | 0.686 | S | S | * | * | trans | -73.1 | 87.1 | 174.6 | -55.5 | 0 | 0 | 0 | 0 | 110 | T542 V546 | T542-T544 PolarHBondContact O-N 2.86Å; T544-V546 PolarHBondContact O-N 3.5Å | ||
| 545 | T | 40.5 | Very low | 40.7 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 71% | 0.712 | 70% | 0.696 | S | S | * | * | trans | -65.8 | 102.9 | 171.5 | -60.8 | 0 | 0 | 0 | 0 | 109.7 | V543 Q547 | V543-T545 VanDerWaalsContact C-N 3.33Å; V543-T545 PolarHBondContact O-N 2.97Å; T545-Q547 PolarHBondContact O-N 3.35Å | ||
| 546 | V | 36.9 | Very low | 40.3 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | trans | -67 | 116.8 | 172.7 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | T544 A548 | T544-V546 PolarHBondContact O-N 3.5Å; V546-A548 PolarHBondContact O-N 3.13Å | ||
| 547 | Q | 35.3 | Very low | 39.9 | Very low | 190 Ų | 190 | 128.9 Ų | 128.9 | 89% | 0.888 | 73% | 0.728 | S | S | * | * | trans | -68.3 | 98.7 | 173.7 | -75.6 | -175.6 | -24 | 0 | 0 | 109.9 | T545 | T545-Q547 PolarHBondContact O-N 3.35Š| ||
| 548 | A | 36.3 | Very low | 39 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 134 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | V546 R550 | V546-A548 PolarHBondContact O-N 3.13Å; A548-R550 PolarHBondContact O-N 3.29Å |
| 549 | A | 39.7 | Very low | 38.8 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 132.1 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | P551 | A549-P551 WeakPolarHBondContact O-CD 3.44Š|
| 550 | R | 35.3 | Very low | 38.3 | Very low | 224 Ų | 224 | 142.1 Ų | 142.1 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 117.4 | 175.8 | 172.3 | 179.2 | 172.9 | -179.3 | -2 | 110.2 | A548 | A548-R550 PolarHBondContact O-N 3.29Š|
| 551 | P | 48.5 | Very low | 37.8 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 153.2 | 169.3 | 30.1 | -34.2 | 0 | 0 | 0 | 111 | A549 | A549-P551 WeakPolarHBondContact O-CD 3.44Š|
| 552 | P | 41.9 | Very low | 37.7 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 172.1 | 179.7 | 32.1 | -35.9 | 0 | 0 | 0 | 113.1 | ||
| 553 | N | 34.7 | Very low | 37.6 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 134 | -171.4 | -63.7 | -46 | 0 | 0 | 0 | 115.7 | ||
| 554 | L | 37.4 | Very low | 37.5 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -125.2 | 102.2 | 148 | -81.1 | 175.1 | 0 | 0 | 0 | 109.7 | ||||
| 555 | T | 34.2 | Very low | 37.5 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -73.5 | 127.8 | 160.5 | -56.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 556 | V | 35.2 | Very low | 37.1 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | -172.4 | 128.2 | 149.6 | 130.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 557 | I | 38.1 | Very low | 37.4 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | 52.3 | 120.4 | 150.5 | -57.2 | 172.8 | 0 | 0 | 0 | 120.3 | ||||
| 558 | R | 32.1 | Very low | 37.8 | Very low | 238 Ų | 238 | 144 Ų | 144 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -82.6 | 137.6 | 151.7 | -79.1 | -176.8 | 173.8 | -176 | -1.7 | 110.5 | ||||
| 559 | P | 44.2 | Very low | 38 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -81.3 | 144.8 | 156.1 | -2.5 | 20.9 | 0 | 0 | 0 | 111 | ||||
| 560 | L | 33.5 | Very low | 38.3 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -132.5 | 118.2 | 167 | 178.5 | 74.7 | 0 | 0 | 0 | 109.1 | ||||
| 561 | N | 37 | Very low | 38.4 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -155.5 | 116.8 | 156.1 | -94.1 | -36 | 0 | 0 | 0 | 106.9 | ||||
| 562 | Q | 34.7 | Very low | 38 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | 69.3 | 110.8 | 76.7 | -73 | -164 | 82.9 | 0 | 0 | 113.8 | |||||
| 563 | S | 38 | Very low | 37.8 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | -178.5 | 144 | 104 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 564 | K | 36.6 | Very low | 37.9 | Very low | 199 Ų | 199 | 142.1 Ų | 142.1 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | 58.7 | 140.3 | 151.9 | -86.6 | 178.9 | 174.3 | 178.5 | 0 | 118.8 | ||||
| 565 | I | 37.3 | Very low | 38.1 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | cis | -143.7 | 142 | 0.4 | -38 | 173.4 | 0 | 0 | 0 | 105 | ||||
| 566 | H | 33.3 | Very low | 38.2 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | 174.7 | 143.2 | 78.7 | -144.2 | 39.9 | 0 | 0 | 0 | 106.8 | |||||
| 567 | V | 41.4 | Very low | 38.4 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 61% | 0.612 | 75% | 0.748 | S | S | * | * | 41.9 | 114.3 | 84.4 | -167.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 568 | D | 43.7 | Very low | 38.5 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | cis | -161.2 | 177.5 | -6.2 | -123.3 | -57.5 | 0 | 0 | 0 | 108.6 | ||||
| 569 | S | 41.7 | Very low | 38.6 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | cis | -159.5 | 174.6 | 2.6 | -134.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 570 | P | 46.2 | Very low | 38.4 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | trans | -125.1 | 179.5 | -162.7 | 42.5 | -30.5 | 0 | 0 | 0 | 117.9 | ||||
| 571 | N | 37 | Very low | 38.5 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | 146.9 | 172.4 | 123.5 | -155.1 | 8.6 | 0 | 0 | 0 | 116 | |||||
| 572 | L | 40.1 | Very low | 38.4 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | trans | 89.8 | 85 | -174.7 | -73.1 | 78.8 | 0 | 0 | 0 | 115 | ||||
| 573 | T | 36.5 | Very low | 38.4 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | 45.9 | 127.6 | 74.7 | 47.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 574 | T | 38.7 | Very low | 38.2 | Very low | 129 Ų | 129 | 131 Ų | 131 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | -162.2 | 158.2 | 77.4 | -64.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 575 | Q | 41.5 | Very low | 38.1 | Very low | 157 Ų | 157 | 126.4 Ų | 126.4 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -50 | 177.3 | 177.7 | -56 | 163.8 | -4.8 | 0 | 0 | 116.8 | ||||
| 576 | N | 35.9 | Very low | 38 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 65% | 0.652 | 73% | 0.73 | S | S | * | * | cis | -164.4 | 154.9 | 32.5 | -130.8 | -11.5 | 0 | 0 | 0 | 116.7 | ||||
| 577 | T | 39.9 | Very low | 38 | Very low | 109 Ų | 109 | 124 Ų | 124 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | trans | 5.3 | 162.3 | 143.6 | 55 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 578 | T | 38.5 | Very low | 37.5 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | cis | -170.2 | 145.2 | -8.6 | -92.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 579 | S | 34.8 | Very low | 37.2 | Very low | 88 Ų | 88 | 123.1 Ų | 123.1 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | trans | 11.5 | 161.8 | 154.3 | -50.2 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 580 | H | 39.2 | Very low | 37.1 | Very low | 162 Ų | 162 | 125 Ų | 125 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | trans | 85.9 | 145.9 | 157 | -51.1 | -69.2 | 0 | 0 | 0 | 118.8 | ||||
| 581 | Q | 36.8 | Very low | 36.6 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | cis | -166.4 | 150.9 | -30 | -126.1 | -167 | 9.7 | 0 | 0 | 111.3 | ||||
| 582 | V | 34.1 | Very low | 36.8 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | 72.4 | 151.6 | 149.2 | 170.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 583 | A | 35.5 | Very low | 36.8 | Very low | 82 Ų | 82 | 125 Ų | 125 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | 92 | 89 | 158.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 584 | V | 32.8 | Very low | 36.8 | Very low | 139 Ų | 139 | 122.5 Ų | 122.5 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | trans | 46.9 | 143.4 | 132.9 | -121.9 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 585 | S | 35.8 | Very low | 36.9 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | 89.5 | 97.5 | 144.4 | -64.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 586 | N | 33.6 | Very low | 36.6 | Very low | 165 Ų | 165 | 121.2 Ų | 121.2 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | 52 | 141 | 129.4 | -70.1 | 4.9 | 0 | 0 | 0 | 124.6 | |||||
| 587 | A | 35.3 | Very low | 36.5 | Very low | 88 Ų | 88 | 123.5 Ų | 123.5 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 89 | 101.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 588 | C | 29.2 | Very low | 36.3 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | 51.9 | 107.7 | 129 | -54.8 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 589 | A | 38.4 | Very low | 36 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | -170.3 | 121.8 | 126 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 590 | N | 38.4 | Very low | 35.9 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | 54.6 | 115.7 | 132 | -53.4 | -11.4 | 0 | 0 | 0 | 123.3 | ||||
| 591 | N | 37.4 | Very low | 35.7 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | 90.9 | 109.7 | 124.3 | -70.6 | -4.3 | 0 | 0 | 0 | 124.4 | |||||
| 592 | V | 40.2 | Very low | 35.4 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | 88.1 | 135.4 | 121.8 | 175.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 593 | T | 40.6 | Very low | 35.8 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | trans | 64 | 139.5 | 175.3 | 30.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 594 | G | 37.3 | Very low | 35.7 | Very low | 62 Ų | 62 | 129.5 Ų | 129.5 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | cis | 174.4 | 143.7 | -9.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 595 | I | 39.5 | Very low | 35.7 | Very low | 165 Ų | 165 | 130 Ų | 130 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | 55.3 | 109.9 | 161.1 | 7.9 | 178.8 | 0 | 0 | 0 | 121.3 | ||||
| 596 | S | 35.1 | Very low | 35.9 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | 51.1 | 119.9 | 135.9 | 62.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 597 | N | 35.1 | Very low | 36 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | -156.8 | 148.7 | 106.1 | -98.5 | -33.5 | 0 | 0 | 0 | 111.6 | |||||
| 598 | L | 35.3 | Very low | 36 | Very low | 178 Ų | 178 | 131.8 Ų | 131.8 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | -98.1 | 132.2 | -177.5 | -85 | 154.6 | 0 | 0 | 0 | 111.3 | ||||
| 599 | N | 32.3 | Very low | 36.3 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | -148.8 | 156.7 | 155.6 | -155 | 1.2 | 0 | 0 | 0 | 112.1 | ||||
| 600 | I | 31.4 | Very low | 36 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | -55.6 | 135 | -166.3 | -62.8 | 153.1 | 0 | 0 | 0 | 115.1 | ||||
| 601 | S | 36.5 | Very low | 35.8 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -168.9 | 148.8 | 140.3 | -83.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 602 | N | 28.8 | Very low | 35.6 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -82.1 | 179.8 | 164.2 | -76 | -20.9 | 0 | 0 | 0 | 110.3 | ||||
| 603 | P | 44.1 | Very low | 35.3 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -133 | -163.2 | -6.9 | 35 | -13.3 | 0 | 0 | 0 | 114.2 | ||||
| 604 | C | 33.6 | Very low | 34.9 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | trans | 88.5 | 138.8 | 150.5 | -76.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 605 | D | 32.9 | Very low | 34.9 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 44.1 | 108.8 | 147.9 | -54.4 | -30.4 | 0 | 0 | 0 | 121.4 | ||||
| 606 | I | 39 | Very low | 34.9 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | trans | -129.6 | 127.7 | 154.3 | -58.5 | 180 | 0 | 0 | 0 | 108.2 | ||||
| 607 | S | 34.9 | Very low | 34.9 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -67.9 | 157.9 | -180 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | V609 | S607-V609 PolarHBondContact O-N 3.07Š| ||
| 608 | P | 35.5 | Very low | 34.8 | Very low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -64.8 | 116.9 | 177.7 | 26.5 | -35.1 | 0 | 0 | 0 | 111.9 | S610 | P608-S610 PolarHBondContact O-N 3.13Š| ||
| 609 | V | 35.7 | Very low | 34.7 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -78.5 | 114.4 | 172.8 | 176.2 | 0 | 0 | 0 | 0 | 109.6 | S607 I611 | S607-V609 PolarHBondContact O-N 3.07Å; V609-I611 PolarHBondContact O-N 3.04Å | ||
| 610 | S | 31.9 | Very low | 34.8 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -67.6 | 109.9 | 171.8 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | P608 T612 | P608-S610 PolarHBondContact O-N 3.13Å; S610-T612 PolarHBondContact O-N 3.42Å; S610-T612 VanDerWaalsContact O-N 3.07Å | ||
| 611 | I | 34.4 | Very low | 34.9 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 82% | 0.821 | 78% | 0.777 | S | S | * | * | trans | -80.4 | 88.5 | 174.9 | -54.2 | 178.6 | 0 | 0 | 0 | 109.1 | V609 T613 | V609-I611 PolarHBondContact O-N 3.04Å; I611-T613 PolarHBondContact O-N 2.97Å | ||
| 612 | T | 33 | Very low | 34.8 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -73.3 | 121.4 | 172 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | S610 S614 | S610-T612 PolarHBondContact O-N 3.42Å; S610-T612 VanDerWaalsContact O-N 3.07Å; T612-S614 PolarHBondContact O-N 3.03Å | ||
| 613 | T | 33.9 | Very low | 35.1 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -76.9 | 102.5 | 178.6 | 48.4 | 0 | 0 | 0 | 0 | 112 | I611 | I611-T613 PolarHBondContact O-N 2.97Š| ||
| 614 | S | 33.8 | Very low | 34.6 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -86.6 | 121.8 | 164.4 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | T612 | T612-S614 PolarHBondContact O-N 3.03Š| ||
| 615 | L | 36.5 | Very low | 34.7 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -78.9 | 138.7 | 169.1 | -74.7 | 78.8 | 0 | 0 | 0 | 109.9 | N617 | L615-N617 PolarHBondContact O-N 3.21Å; L615-N617 VanDerWaalsContact O-N 3.1Å | ||
| 616 | P | 39.8 | Very low | 35 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -73.3 | 99.6 | 167.5 | 30.1 | -32.1 | 0 | 0 | 0 | 109.4 | Y618 | P616-Y618 HydrophobicContact CB-CE2 4.4Å; P616-Y618 PolarHBondContact O-N 3.29Å | ||
| 617 | N | 33.9 | Very low | 34.9 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -83.3 | 94.9 | -177.9 | -152.9 | 26.1 | 0 | 0 | 0 | 110.4 | L615 N619 | L615-N617 PolarHBondContact O-N 3.21Å; L615-N617 VanDerWaalsContact O-N 3.1Å; N617-N619 PolarHBondContact O-N 2.96Å; N617-N619 VanDerWaalsContact O-N 3.08Å | ||
| 618 | Y | 33.8 | Very low | 35 | Very low | 214 Ų | 214 | 137.6 Ų | 137.6 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -79.3 | 84.3 | 177.8 | -88.2 | -84.1 | 0 | 0 | 0 | 111.4 | P616 | P616-Y618 HydrophobicContact CB-CE2 4.4Å; P616-Y618 PolarHBondContact O-N 3.29Å | ||
| 619 | N | 33.6 | Very low | 34.9 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | -75 | 127.3 | 163.5 | -83.1 | 3.4 | 0 | 0 | 0 | 109.9 | N617 H621 | N617-N619 PolarHBondContact O-N 2.96Å; N617-N619 VanDerWaalsContact O-N 3.08Å; N619-H621 PolarHBondContact O-N 3.48Å | ||
| 620 | I | 34.2 | Very low | 35.6 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -70.6 | 117.2 | 169.4 | -61.4 | 172.1 | 0 | 0 | 0 | 107.7 | ||||
| 621 | H | 33.5 | Very low | 36.3 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | trans | -104.2 | 102.7 | 169.5 | -159 | 125.6 | 0 | 0 | 0 | 108.5 | N619 | N619-H621 PolarHBondContact O-N 3.48Š| ||
| 622 | L | 33.3 | Very low | 36.4 | Very low | 151 Ų | 151 | 138 Ų | 138 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -84.3 | 113.8 | 168.7 | -172.1 | 70.8 | 0 | 0 | 0 | 107.7 | ||||
| 623 | A | 35.6 | Very low | 36.9 | Very low | 81 Ų | 81 | 139 Ų | 139 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -114.9 | 108.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 624 | E | 33 | Very low | 37.4 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -79.7 | 147.7 | 169.6 | -57.4 | 175.6 | 123.2 | 0 | 0 | 110 | ||||
| 625 | T | 36 | Very low | 37.6 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 176.9 | 111.6 | 133.5 | 22.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 626 | S | 40.1 | Very low | 37.7 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | -157.4 | 106.7 | 150.6 | 48.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 627 | N | 37.4 | Very low | 37.7 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | -80.8 | 149.2 | -168.3 | -58.8 | -36.4 | 0 | 0 | 0 | 113 | ||||
| 628 | T | 35.5 | Very low | 38.1 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | trans | -151.8 | 106 | 148.7 | -65.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 629 | M | 35.2 | Very low | 38 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | trans | 67.1 | 105.3 | 158.1 | -56.3 | -177.9 | 70.9 | 0 | 0 | 120.6 | ||||
| 630 | V | 48.4 | Very low | 38.3 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | 76.2 | 133.3 | 85.4 | -166.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 631 | P | 46.8 | Very low | 38.3 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | cis | -136.5 | 166.4 | -31.3 | 39.9 | -23.3 | 0 | 0 | 0 | 115.5 | ||||
| 632 | N | 37.5 | Very low | 38.5 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | 166 | 137.2 | 114.5 | -105 | 23.3 | 0 | 0 | 0 | 113.1 | |||||
| 633 | E | 43.3 | Very low | 38.6 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | trans | 31.8 | 130.8 | 138.4 | -43 | -41.5 | 95.5 | 0 | 0 | 120 | ||||
| 634 | T | 43.5 | Very low | 38.3 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | cis | -166.5 | 151.1 | 9.1 | 5.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 635 | N | 39.4 | Very low | 38.4 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | 60.2 | 121.2 | 150.5 | -57.4 | -25.3 | 0 | 0 | 0 | 120.3 | ||||
| 636 | L | 37.2 | Very low | 38.2 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | 72.6 | 132.4 | 63.8 | -68.5 | 162 | 0 | 0 | 0 | 112.4 | |||||
| 637 | I | 40.8 | Very low | 38.1 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | cis | -150.2 | 159.3 | 40.3 | -75.3 | -177 | 0 | 0 | 0 | 113.2 | ||||
| 638 | H | 41.8 | Very low | 38 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | trans | -14.4 | 138.1 | 159.4 | -56.7 | 90.2 | 0 | 0 | 0 | 118.6 | ||||
| 639 | S | 32.8 | Very low | 38.1 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | cis | 82.7 | 100.6 | 49.1 | -170.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 640 | S | 38.4 | Very low | 38.1 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -168.9 | 151.8 | 149.6 | 42.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 641 | Q | 34.8 | Very low | 37.7 | Very low | 184 Ų | 184 | 133.3 Ų | 133.3 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -66.3 | 155.6 | 174.6 | -110.2 | 175.5 | -53.1 | 0 | 0 | 112.2 | ||||
| 642 | P | 37.5 | Very low | 37.3 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | -152.9 | -179.1 | 82.5 | 42 | -22.5 | 0 | 0 | 0 | 118.1 | |||||
| 643 | S | 34.6 | Very low | 37.2 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -32 | 135.2 | 174.6 | -47.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 644 | L | 29.3 | Very low | 36.6 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | 22.6 | 114.4 | 134.2 | -67.8 | 164.8 | 0 | 0 | 0 | 119.2 | ||||
| 645 | T | 35.7 | Very low | 36.4 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | -158 | 148.4 | 122.2 | -5.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 646 | T | 31.7 | Very low | 36 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -60.9 | 138.3 | 178.6 | -48.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 647 | V | 38.2 | Very low | 35.8 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -155.3 | 134 | 131.2 | 164.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 648 | T | 36.4 | Very low | 35.4 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -27.4 | 138.9 | 165.3 | -43 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 649 | G | 37.1 | Very low | 34.8 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | -174.5 | 107.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 650 | N | 34.9 | Very low | 34.7 | Very low | 161 Ų | 161 | 135 Ų | 135 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -90.3 | 120.5 | 179.6 | -69.4 | 1.7 | 0 | 0 | 0 | 111.4 | ||||
| 651 | I | 40 | Very low | 34.5 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -131.5 | 131 | 158.4 | -62.3 | -177.1 | 0 | 0 | 0 | 108.6 | ||||
| 652 | V | 38.9 | Very low | 34.5 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -80.7 | 131.6 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 109.2 | T654 | V652-T654 HydrophobicContact CG1-CG2 4.44Š| ||
| 653 | N | 35.5 | Very low | 34.6 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -139.5 | 119 | 159.2 | -109.2 | -14.3 | 0 | 0 | 0 | 109.6 | ||||
| 654 | T | 30.7 | Very low | 35 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -86.1 | 116.5 | 178.9 | 47.5 | 0 | 0 | 0 | 0 | 110.3 | V652 | V652-T654 HydrophobicContact CG1-CG2 4.44Š| ||
| 655 | S | 38 | Very low | 35.8 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -151.4 | 137.9 | 167.4 | -76.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 656 | T | 30.7 | Very low | 36.8 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -76.6 | 128.5 | -170.9 | 40.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 657 | N | 34.3 | Very low | 38.5 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | -151 | 146.4 | 157.5 | -133.1 | -91.3 | 0 | 0 | 0 | 112.1 | S659 | N657-S659 VanDerWaalsContact C-N 3.29Å; N657-S659 PolarHBondContact O-N 2.89Å | ||
| 658 | L | 31.9 | Very low | 40.3 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 96% | 0.963 | 76% | 0.759 | S | S | * | * | trans | -84.7 | 72.6 | -180 | -77.1 | 159.2 | 0 | 0 | 0 | 109.5 | ||||
| 659 | S | 29.6 | Very low | 42.8 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -105.8 | 148 | -176.8 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | N657 | N657-S659 VanDerWaalsContact C-N 3.29Å; N657-S659 PolarHBondContact O-N 2.89Å | ||
| 660 | S | 30.6 | Very low | 45.4 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | trans | -16.3 | 137.8 | 174.6 | -166.9 | 0 | 0 | 0 | 0 | 117.5 | K662 | S660-K662 PolarHBondContact O-N 2.84Å; S660-K662 VanDerWaalsContact O-N 3.14Å | ||
| 661 | V | 33.7 | Very low | 48.1 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | trans | -39.2 | 121.1 | 168.6 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | I663 | V661-I663 PolarHBondContact O-N 3.43Å; V661-I663 VanDerWaalsContact O-N 3.11Å | ||
| 662 | K | 35.5 | Very low | 50.7 | Low | 161 Ų | 161 | 123.4 Ų | 123.4 | 70% | 0.7 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 119.6 | 179.3 | -166.3 | -169.2 | 177.2 | -133.2 | 0 | 108.3 | S660 Q664 D665 | S660-K662 PolarHBondContact O-N 2.84Å; S660-K662 VanDerWaalsContact O-N 3.14Å; K662-Q664 PolarHBondContact O-N 2.83Å; K662-D665 IonicContact NZ-OD2 2.69Å; K662-D665 PolarHBondContact NZ-OD2 2.74Å |
| 663 | I | 39.4 | Very low | 53.3 | Low | 157 Ų | 157 | 119.5 Ų | 119.5 | 81% | 0.805 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 134.7 | -176.7 | -65.5 | 175.6 | 0 | 0 | 0 | 107.9 | V661 D665 | V661-I663 PolarHBondContact O-N 3.43Å; V661-I663 VanDerWaalsContact O-N 3.11Å; I663-D665 PolarHBondContact O-N 3.29Å |
| 664 | Q | 42.9 | Very low | 56.2 | Low | 122 Ų | 122 | 115.8 Ų | 115.8 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 125.4 | -166 | -66.6 | 166.9 | -54 | 0 | 0 | 110.1 | K662 D666 L667 | K662-Q664 PolarHBondContact O-N 2.83Å; Q664-D666 PolarHBondContact O-N 2.94Å; Q664-L667 HydrophobicContact CB-CD1 4.12Å; Q664-L667 HydrophobicContact CG-CD1 4Å |
| 665 | D | 46 | Very low | 59.2 | Low | 124 Ų | 124 | 113 Ų | 113 | 66% | 0.663 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 120.1 | 150.2 | -61.9 | -72.1 | 0 | 0 | 0 | 105.5 | K662 I663 L667 | K662-D665 IonicContact NZ-OD2 2.69Å; K662-D665 PolarHBondContact NZ-OD2 2.74Å; I663-D665 PolarHBondContact O-N 3.29Å; D665-L667 PolarHBondContact O-N 2.86Å |
| 666 | D | 56.8 | Low | 61.9 | Low | 148 Ų | 148 | 109 Ų | 109 | 79% | 0.791 | 61% | 0.609 | S | S | * | * | trans | -52.3 | 110.2 | -167 | -82.4 | -54.4 | 0 | 0 | 0 | 111 | Q664 C668 | Q664-D666 PolarHBondContact O-N 2.94Å; D666-C668 PolarHBondContact O-N 2.81Å; D666-C668 PolarHBondContact O-SG 3Å | ||
| 667 | L | 67 | Low | 65 | Low | 65 Ų | 65 | 102.8 Ų | 102.8 | 34% | 0.34 | 57% | 0.571 | S | S | . | * | trans | -75.7 | 75.3 | -172.4 | -76.1 | 141.2 | 0 | 0 | 0 | 109.6 | Q664 D665 L669 A700 | Q664-L667 HydrophobicContact CB-CD1 4.12Å; Q664-L667 HydrophobicContact CG-CD1 4Å; D665-L667 PolarHBondContact O-N 2.86Å; L667-L669 VanDerWaalsContact C-N 3.26Å; L667-L669 PolarHBondContact O-N 2.91Å; L667-A700 HydrophobicContact CB-CB 4.37Å; L667-A700 HydrophobicContact CD2-CB 3.52Å | ||
| 668 | C | 77.6 | Confident | 67.9 | Low | 112 Ų | 112 | 101.4 Ų | 101.4 | 76% | 0.757 | 56% | 0.56 | S | S | * | * | trans | -64.1 | 79.9 | 179.6 | -71.3 | 0 | 0 | 0 | 0 | 111.3 | D666 T670 | D666-C668 PolarHBondContact O-N 2.81Å; D666-C668 PolarHBondContact O-SG 3Å; C668-T670 PolarHBondContact O-N 2.9Å | ||
| 669 | L | 87 | Confident | 70.9 | Confident | 46 Ų | 46 | 95.4 Ų | 95.4 | 24% | 0.241 | 53% | 0.533 | C | S | . | . | trans | -56.5 | 126.8 | 171 | -62 | 175.5 | 0 | 0 | 0 | 109.5 | L667 Q673 L674 V677 I696 A700 | L667-L669 VanDerWaalsContact C-N 3.26Å; L667-L669 PolarHBondContact O-N 2.91Å; L669-Q673 HydrophobicContact CB-CB 4.11Å; L669-Q673 HydrophobicContact CD2-CB 3.99Å; L669-L674 HydrophobicContact CB-CB 4.35Å; L669-L674 HydrophobicContact CD1-CD1 4.14Å; L669-V677 HydrophobicContact CD1-CG2 4.4Å; L669-I696 HydrophobicContact CD1-CG2 4.31Å; L669-I696 HydrophobicContact CD2-CG2 4.39Å; L669-A700 HydrophobicContact CD2-CB 3.68Å | ||
| 670 | T | 92.1 | Very high | 74 | Confident | 70 Ų | 70 | 91 Ų | 91 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | trans | -61.7 | 158.7 | 163.8 | 66.8 | 0 | 0 | 0 | 0 | 110.1 | C668 S672 Q673 L674 | C668-T670 PolarHBondContact O-N 2.9Å; T670-S672 PolarHBondContact O-N 2.88Å; T670-S672 PolarHBondContact OG1-OG 2.9Å; T670-Q673 WeakPolarHBondContact O-CA 3.18Å; T670-Q673 WeakPolarHBondContact O-CB 3.25Å; T670-Q673 PolarHBondContact O-N 2.95Å; T670-Q673 WeakPolarHBondContact OG1-CB 3.47Å; T670-Q673 VanDerWaalsContact OG1-CG 3.32Å; T670-Q673 WeakPolarHBondContact OG1-CG 3.39Å; T670-Q673 PolarHBondContact OG1-N 2.93Å; T670-Q673 VanDerWaalsContact OG1-N 3.15Å; T670-Q673 PolarHBondContact OG1-OE1 2.82Å; T670-L674 PolarHBondContact O-N 2.86Å | ||
| 671 | E | 92.9 | Very high | 77.1 | Confident | 176 Ų | 176 | 87.7 Ų | 87.7 | 82% | 0.822 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -53.1 | -37.8 | 175.4 | -172.4 | -179.1 | -173.6 | 0 | 0 | 112.5 | L674 S675 | E671-L674 PolarHBondContact O-N 3.1Å; E671-S675 VanDerWaalsContact O-CB 3.27Å; E671-S675 WeakPolarHBondContact O-CB 3.12Å; E671-S675 PolarHBondContact O-N 2.87Å |
| 672 | S | 93.8 | Very high | 79.9 | Confident | 72 Ų | 72 | 88.8 Ų | 88.8 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.5 | -36.8 | 175.6 | 57.2 | 0 | 0 | 0 | 0 | 113.4 | T670 T676 | T670-S672 PolarHBondContact O-N 2.88Å; T670-S672 PolarHBondContact OG1-OG 2.9Å; S672-T676 WeakPolarHBondContact O-CB 3.35Å; S672-T676 PolarHBondContact O-N 2.93Å; S672-T676 PolarHBondContact O-OG1 2.9Å |
| 673 | Q | 94.3 | Very high | 82.4 | Confident | 41 Ų | 41 | 84.8 Ų | 84.8 | 19% | 0.192 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 171.9 | -75.3 | 169 | -33.3 | 0 | 0 | 111 | L669 T670 T676 V677 I699 A700 | L669-Q673 HydrophobicContact CB-CB 4.11Å; L669-Q673 HydrophobicContact CD2-CB 3.99Å; T670-Q673 WeakPolarHBondContact O-CA 3.18Å; T670-Q673 WeakPolarHBondContact O-CB 3.25Å; T670-Q673 PolarHBondContact O-N 2.95Å; T670-Q673 WeakPolarHBondContact OG1-CB 3.47Å; T670-Q673 VanDerWaalsContact OG1-CG 3.32Å; T670-Q673 WeakPolarHBondContact OG1-CG 3.39Å; T670-Q673 PolarHBondContact OG1-N 2.93Å; T670-Q673 VanDerWaalsContact OG1-N 3.15Å; T670-Q673 PolarHBondContact OG1-OE1 2.82Å; Q673-T676 WeakPolarHBondContact O-CB 3.44Å; Q673-T676 PolarHBondContact O-N 2.62Å; Q673-V677 WeakPolarHBondContact O-CG2 3.19Å; Q673-V677 PolarHBondContact O-N 3.03Å; Q673-I699 HydrophobicContact CB-CG2 3.86Å; Q673-I699 HydrophobicContact CG-CG2 3.92Å; Q673-I699 PolarHBondContact NE2-O 3.43Å; Q673-A700 PolarHBondContact NE2-O 3.5Å; Q673-A700 VanDerWaalsContact NE2-O 3.09Å |
| 674 | L | 94.8 | Very high | 85 | Confident | 79 Ų | 79 | 78 Ų | 78 | 41% | 0.414 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 178 | -178.8 | 61.8 | 0 | 0 | 0 | 111.9 | L669 T670 E671 T676 V677 Q678 | L669-L674 HydrophobicContact CB-CB 4.35Å; L669-L674 HydrophobicContact CD1-CD1 4.14Å; T670-L674 PolarHBondContact O-N 2.86Å; E671-L674 PolarHBondContact O-N 3.1Å; L674-T676 VanDerWaalsContact C-N 3.3Å; L674-T676 PolarHBondContact O-N 2.99Å; L674-V677 PolarHBondContact O-N 3.31Å; L674-Q678 WeakPolarHBondContact O-CG 3.36Å; L674-Q678 PolarHBondContact O-N 3.34Å |
| 675 | S | 95.3 | Very high | 87.5 | Confident | 68 Ų | 68 | 75.3 Ų | 75.3 | 48% | 0.476 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 173.8 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | E671 Q678 S679 | E671-S675 VanDerWaalsContact O-CB 3.27Å; E671-S675 WeakPolarHBondContact O-CB 3.12Å; E671-S675 PolarHBondContact O-N 2.87Å; S675-Q678 PolarHBondContact O-N 2.95Å; S675-S679 WeakPolarHBondContact O-CB 3.42Å; S675-S679 PolarHBondContact O-N 3.03Å |
| 676 | T | 94.5 | Very high | 89.8 | Confident | 38 Ų | 38 | 74.8 Ų | 74.8 | 23% | 0.233 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 173.4 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | S672 Q673 L674 Q678 S679 L680 I699 Y751 | S672-T676 WeakPolarHBondContact O-CB 3.35Å; S672-T676 PolarHBondContact O-N 2.93Å; S672-T676 PolarHBondContact O-OG1 2.9Å; Q673-T676 WeakPolarHBondContact O-CB 3.44Å; Q673-T676 PolarHBondContact O-N 2.62Å; L674-T676 VanDerWaalsContact C-N 3.3Å; L674-T676 PolarHBondContact O-N 2.99Å; T676-Q678 VanDerWaalsContact C-N 3.32Å; T676-Q678 PolarHBondContact O-N 2.99Å; T676-S679 PolarHBondContact O-N 2.89Å; T676-L680 HydrophobicContact CG2-CD1 4.04Å; T676-L680 HydrophobicContact CG2-CG 4.48Å; T676-L680 WeakPolarHBondContact O-CB 3.35Å; T676-L680 VanDerWaalsContact O-CG 3.31Å; T676-L680 WeakPolarHBondContact O-CG 3.36Å; T676-L680 PolarHBondContact O-N 3.06Å; T676-I699 HydrophobicContact CG2-CD1 4.16Å; T676-Y751 HydrophobicContact CG2-CE2 4.27Å; T676-Y751 WeakPolarHBondContact CG2-OH 3.44Å |
| 677 | V | 95.8 | Very high | 91.7 | Very high | 9 Ų | 9 | 68.4 Ų | 68.4 | 6% | 0.055 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59 | -43.4 | 177.2 | 167 | 0 | 0 | 0 | 0 | 111.1 | L669 Q673 L674 L680 F681 I696 I699 | L669-V677 HydrophobicContact CD1-CG2 4.4Å; Q673-V677 WeakPolarHBondContact O-CG2 3.19Å; Q673-V677 PolarHBondContact O-N 3.03Å; L674-V677 PolarHBondContact O-N 3.31Å; V677-L680 PolarHBondContact O-N 3.23Å; V677-F681 HydrophobicContact CG1-CD2 3.7Å; V677-F681 HydrophobicContact CG1-CE2 3.49Å; V677-F681 VanDerWaalsContact CG1-CE2 3.49Å; V677-F681 HydrophobicContact CG1-CZ 4.25Å; V677-F681 WeakPolarHBondContact O-CB 3.22Å; V677-F681 WeakPolarHBondContact O-CG 3.46Å; V677-F681 PolarHBondContact O-N 2.71Å; V677-I696 HydrophobicContact CG1-CD1 4.49Å; V677-I696 HydrophobicContact CG1-CG1 3.92Å; V677-I696 HydrophobicContact CG2-CG1 4.25Å; V677-I699 HydrophobicContact CG2-CB 4.3Å; V677-I699 HydrophobicContact CG2-CD1 3.89Å; V677-I699 HydrophobicContact CG2-CG2 4.07Å |
| 678 | Q | 95.1 | Very high | 93.1 | Very high | 117 Ų | 117 | 68.6 Ų | 68.6 | 55% | 0.547 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 176.3 | -72.2 | 172.5 | -6 | 0 | 0 | 111.6 | L674 S675 T676 L680 F681 Q682 | L674-Q678 WeakPolarHBondContact O-CG 3.36Å; L674-Q678 PolarHBondContact O-N 3.34Å; S675-Q678 PolarHBondContact O-N 2.95Å; T676-Q678 VanDerWaalsContact C-N 3.32Å; T676-Q678 PolarHBondContact O-N 2.99Å; Q678-L680 VanDerWaalsContact C-N 3.27Å; Q678-L680 PolarHBondContact O-N 3.28Å; Q678-F681 PolarHBondContact O-N 3.13Å; Q678-Q682 PolarHBondContact O-N 3.48Å |
| 679 | S | 94.3 | Very high | 94 | Very high | 57 Ų | 57 | 74 Ų | 74 | 40% | 0.399 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.3 | -25.9 | 177.9 | -175.2 | 0 | 0 | 0 | 0 | 113.9 | S675 T676 K753 | S675-S679 WeakPolarHBondContact O-CB 3.42Å; S675-S679 PolarHBondContact O-N 3.03Å; T676-S679 PolarHBondContact O-N 2.89Å; S679-K753 PolarHBondContact O-NZ 3.41Å |
| 680 | L | 95.1 | Very high | 94.5 | Very high | 9 Ų | 9 | 75.7 Ų | 75.7 | 5% | 0.047 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -78.6 | -26.2 | 171.9 | -70.9 | 174.5 | 0 | 0 | 0 | 113.1 | T676 V677 Q678 I695 I699 L718 L742 K753 | T676-L680 HydrophobicContact CG2-CD1 4.04Å; T676-L680 HydrophobicContact CG2-CG 4.48Å; T676-L680 WeakPolarHBondContact O-CB 3.35Å; T676-L680 VanDerWaalsContact O-CG 3.31Å; T676-L680 WeakPolarHBondContact O-CG 3.36Å; T676-L680 PolarHBondContact O-N 3.06Å; V677-L680 PolarHBondContact O-N 3.23Å; Q678-L680 VanDerWaalsContact C-N 3.27Å; Q678-L680 PolarHBondContact O-N 3.28Å; L680-I695 HydrophobicContact CD1-CG2 4.26Å; L680-I699 HydrophobicContact CD1-CD1 3.44Å; L680-I699 VanDerWaalsContact CD1-CD1 3.44Å; L680-L718 HydrophobicContact CD2-CD1 3.89Å; L680-L742 HydrophobicContact CD1-CD1 4.25Å; L680-L742 HydrophobicContact CD1-CD2 4.23Å; L680-L742 HydrophobicContact CD2-CD1 4Å; L680-K753 HydrophobicContact CD2-CD 4.01Å; L680-K753 HydrophobicContact CD2-CG 4.49Å |
| 681 | F | 95.8 | Very high | 94.7 | Very high | 38 Ų | 38 | 74 Ų | 74 | 17% | 0.167 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -100.8 | -13.6 | -177 | -66.1 | -16.4 | 0 | 0 | 0 | 115.3 | V677 Q678 D683 A684 K692 I695 I696 | V677-F681 HydrophobicContact CG1-CD2 3.7Å; V677-F681 HydrophobicContact CG1-CE2 3.49Å; V677-F681 VanDerWaalsContact CG1-CE2 3.49Å; V677-F681 HydrophobicContact CG1-CZ 4.25Å; V677-F681 WeakPolarHBondContact O-CB 3.22Å; V677-F681 WeakPolarHBondContact O-CG 3.46Å; V677-F681 PolarHBondContact O-N 2.71Å; Q678-F681 PolarHBondContact O-N 3.13Å; F681-D683 PolarHBondContact O-N 3.45Å; F681-A684 HydrophobicContact CD1-CB 4.46Å; F681-A684 WeakPolarHBondContact O-CB 3.44Å; F681-A684 PolarHBondContact O-N 2.74Å; F681-K692 HydrophobicContact CD1-CG 4.37Å; F681-K692 HydrophobicContact CD2-CD 4.19Å; F681-K692 HydrophobicContact CE1-CB 4.29Å; F681-K692 HydrophobicContact CE1-CD 4.46Å; F681-K692 HydrophobicContact CE1-CG 3.9Å; F681-K692 HydrophobicContact CE2-CB 3.92Å; F681-K692 HydrophobicContact CE2-CD 4.12Å; F681-K692 HydrophobicContact CE2-CG 4.03Å; F681-K692 HydrophobicContact CG-CD 4.4Å; F681-K692 HydrophobicContact CZ-CB 3.65Å; F681-K692 HydrophobicContact CZ-CD 4.29Å; F681-K692 HydrophobicContact CZ-CG 3.73Å; F681-I695 HydrophobicContact CE1-CB 4.21Å; F681-I695 HydrophobicContact CE1-CD1 4Å; F681-I695 HydrophobicContact CE1-CG2 3.94Å; F681-I695 HydrophobicContact CZ-CB 4.09Å; F681-I695 HydrophobicContact CZ-CG2 3.97Å; F681-I696 HydrophobicContact CE2-CD1 4.09Å; F681-I696 HydrophobicContact CE2-CG1 4.1Å; F681-I696 HydrophobicContact CZ-CG1 4.32Å |
| 682 | Q | 92.8 | Very high | 94.8 | Very high | 155 Ų | 155 | 69 Ų | 69 | 72% | 0.724 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -49.8 | -179.6 | -174.9 | 169.6 | 5.4 | 0 | 0 | 112.8 | Q678 | Q678-Q682 PolarHBondContact O-N 3.48Š|
| 683 | D | 87.4 | Confident | 94.9 | Very high | 78 Ų | 78 | 67.8 Ų | 67.8 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 9.1 | -178.6 | -40.4 | -51.2 | 0 | 0 | 0 | 113 | F681 N685 S719 | F681-D683 PolarHBondContact O-N 3.45Å; D683-N685 PolarHBondContact O-N 2.86Å; D683-S719 VanDerWaalsContact O-CB 3.25Å; D683-S719 WeakPolarHBondContact O-CB 3.4Å |
| 684 | A | 94.2 | Very high | 95 | Very high | 15 Ų | 15 | 66.7 Ų | 66.7 | 12% | 0.124 | 34% | 0.343 | C | S | . | . | trans | -86.4 | 77.3 | -160.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F681 R686 V687 L718 | F681-A684 HydrophobicContact CD1-CB 4.46Å; F681-A684 WeakPolarHBondContact O-CB 3.44Å; F681-A684 PolarHBondContact O-N 2.74Å; A684-R686 VanDerWaalsContact C-N 3.34Å; A684-R686 PolarHBondContact O-N 3.42Å; A684-V687 HydrophobicContact CB-CG2 3.91Å; A684-L718 CarbonylContact C-O 3.58Å; A684-L718 VanDerWaalsContact C-O 3.29Å; A684-L718 WeakPolarHBondContact CA-O 3.23Å | ||
| 685 | N | 94.2 | Very high | 95.1 | Very high | 65 Ų | 65 | 62.9 Ų | 62.9 | 35% | 0.348 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -85.2 | 9.3 | 179.7 | 76.1 | -13.4 | 0 | 0 | 0 | 115.5 | D683 L718 S719 E720 P769 | D683-N685 PolarHBondContact O-N 2.86Å; N685-L718 PolarHBondContact N-O 2.71Å; N685-S719 WeakPolarHBondContact OD1-CA 3.46Å; N685-E720 PolarHBondContact ND2-O 3.18Å; N685-E720 PolarHBondContact OD1-N 3.42Å; N685-E720 PolarHBondContact OD1-O 3.29Å; N685-P769 WeakPolarHBondContact ND2-CG 3.48Å |
| 686 | R | 96.1 | Very high | 95.1 | Very high | 112 Ų | 112 | 62.1 Ų | 62.1 | 42% | 0.423 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -122.9 | -15 | 176.5 | -64.9 | -70 | 97.3 | 143.1 | -4 | 115.1 | A684 T688 R717 L718 E720 | A684-R686 VanDerWaalsContact C-N 3.34Å; A684-R686 PolarHBondContact O-N 3.42Å; R686-T688 PolarHBondContact O-N 3.19Å; R686-R717 HydrophobicContact CB-CB 4.35Å; R686-R717 HydrophobicContact CB-CG 4.33Å; R686-R717 WeakPolarHBondContact CB-O 3.44Å; R686-R717 HydrophobicContact CG-CG 4.28Å; R686-L718 PolarHBondContact N-O 3.44Å; R686-E720 WeakPolarHBondContact CD-OE2 3.4Å; R686-E720 HydrophobicContact CG-CB 3.64Å; R686-E720 IonicContact CZ-OE2 3.27Å; R686-E720 IonicContact NE-OE2 2.67Å; R686-E720 IonicContact NH1-OE2 2.87Å; R686-E720 PolarHBondContact NH1-OE2 3.14Å |
| 687 | V | 96.5 | Very high | 95.2 | Very high | 14 Ų | 14 | 61.8 Ų | 61.8 | 9% | 0.085 | 31% | 0.312 | C | S | . | . | trans | -80.9 | 119.8 | -173.3 | -167.7 | 0 | 0 | 0 | 0 | 112.3 | A684 E691 K692 I695 I716 L718 | A684-V687 HydrophobicContact CB-CG2 3.91Å; V687-E691 HydrophobicContact CG1-CB 3.55Å; V687-K692 HydrophobicContact CB-CG 4.11Å; V687-K692 HydrophobicContact CG1-CB 4.43Å; V687-K692 HydrophobicContact CG1-CG 3.5Å; V687-K692 WeakPolarHBondContact O-CE 3.45Å; V687-I695 HydrophobicContact CG1-CD1 4.08Å; V687-I716 HydrophobicContact CG1-CG2 4.29Å; V687-I716 HydrophobicContact CG2-CG2 4.35Å; V687-L718 HydrophobicContact CG2-CB 4.38Å; V687-L718 HydrophobicContact CG2-CD2 3.67Å | ||
| 688 | T | 96.6 | Very high | 95.2 | Very high | 69 Ų | 69 | 61.6 Ų | 61.6 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | trans | -76.5 | 163.7 | 176.9 | 66.5 | 0 | 0 | 0 | 0 | 112.9 | R686 E691 K692 | R686-T688 PolarHBondContact O-N 3.19Å; T688-E691 WeakPolarHBondContact CB-OE2 3.19Å; T688-E691 WeakPolarHBondContact CG2-OE2 3.39Å; T688-E691 PolarHBondContact N-OE2 2.87Å; T688-E691 PolarHBondContact O-N 3.11Å; T688-E691 VanDerWaalsContact O-N 3.12Å; T688-E691 VanDerWaalsContact OG1-CD 3.29Å; T688-E691 WeakPolarHBondContact OG1-CG 3.42Å; T688-E691 PolarHBondContact OG1-OE2 2.97Å; T688-K692 PolarHBondContact O-N 3.41Å | ||
| 689 | R | 96.2 | Very high | 95.3 | Very high | 227 Ų | 227 | 56.8 Ų | 56.8 | 86% | 0.857 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -51.4 | -49 | 177.6 | -173.1 | 179.8 | 178.9 | -162.4 | -0.8 | 114.4 | E691 K692 A693 | R689-E691 VanDerWaalsContact C-N 3.31Å; R689-E691 PolarHBondContact O-N 3.03Å; R689-K692 PolarHBondContact O-N 3.05Å; R689-A693 PolarHBondContact O-N 2.69Å; R689-A693 VanDerWaalsContact O-N 3.12Å |
| 690 | P | 96 | Very high | 95.3 | Very high | 80 Ų | 80 | 55.3 Ų | 55.3 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.8 | -30.8 | 177.8 | 26.1 | -35.1 | 0 | 0 | 0 | 113 | A693 M694 | P690-A693 PolarHBondContact O-N 2.87Å; P690-M694 PolarHBondContact O-N 2.73Å |
| 691 | E | 96.4 | Very high | 95.3 | Very high | 34 Ų | 34 | 56.4 Ų | 56.4 | 16% | 0.159 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.5 | -37.3 | 174.7 | -69.4 | 169.3 | 133.5 | 0 | 0 | 111.9 | V687 T688 R689 A693 M694 I695 I716 | V687-E691 HydrophobicContact CG1-CB 3.55Å; T688-E691 WeakPolarHBondContact CB-OE2 3.19Å; T688-E691 WeakPolarHBondContact CG2-OE2 3.39Å; T688-E691 PolarHBondContact N-OE2 2.87Å; T688-E691 PolarHBondContact O-N 3.11Å; T688-E691 VanDerWaalsContact O-N 3.12Å; T688-E691 VanDerWaalsContact OG1-CD 3.29Å; T688-E691 WeakPolarHBondContact OG1-CG 3.42Å; T688-E691 PolarHBondContact OG1-OE2 2.97Å; R689-E691 VanDerWaalsContact C-N 3.31Å; R689-E691 PolarHBondContact O-N 3.03Å; E691-A693 VanDerWaalsContact C-N 3.31Å; E691-A693 PolarHBondContact O-N 2.75Å; E691-M694 WeakPolarHBondContact O-CB 3.43Å; E691-M694 PolarHBondContact O-N 2.79Å; E691-I695 VanDerWaalsContact O-CG1 3.27Å; E691-I695 WeakPolarHBondContact O-CG1 3.35Å; E691-I695 PolarHBondContact O-N 2.93Å; E691-I716 HydrophobicContact CB-CD1 4.11Å; E691-I716 HydrophobicContact CB-CG2 4.16Å; E691-I716 HydrophobicContact CG-CD1 4.29Å; E691-I716 HydrophobicContact CG-CG1 4.45Å; E691-I716 HydrophobicContact CG-CG2 4.34Å |
| 692 | K | 96.8 | Very high | 95.1 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 32% | 0.317 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 171.3 | -67.3 | -166.5 | -179.6 | -172.1 | 0 | 111.3 | F681 V687 T688 R689 I695 I696 | F681-K692 HydrophobicContact CD1-CG 4.37Å; F681-K692 HydrophobicContact CD2-CD 4.19Å; F681-K692 HydrophobicContact CE1-CB 4.29Å; F681-K692 HydrophobicContact CE1-CD 4.46Å; F681-K692 HydrophobicContact CE1-CG 3.9Å; F681-K692 HydrophobicContact CE2-CB 3.92Å; F681-K692 HydrophobicContact CE2-CD 4.12Å; F681-K692 HydrophobicContact CE2-CG 4.03Å; F681-K692 HydrophobicContact CG-CD 4.4Å; F681-K692 HydrophobicContact CZ-CB 3.65Å; F681-K692 HydrophobicContact CZ-CD 4.29Å; F681-K692 HydrophobicContact CZ-CG 3.73Å; V687-K692 HydrophobicContact CB-CG 4.11Å; V687-K692 HydrophobicContact CG1-CB 4.43Å; V687-K692 HydrophobicContact CG1-CG 3.5Å; V687-K692 WeakPolarHBondContact O-CE 3.45Å; T688-K692 PolarHBondContact O-N 3.41Å; R689-K692 PolarHBondContact O-N 3.05Å; K692-I695 PolarHBondContact O-N 3.07Å; K692-I696 WeakPolarHBondContact O-CB 3.36Å; K692-I696 WeakPolarHBondContact O-CD1 3.47Å; K692-I696 VanDerWaalsContact O-CG1 3.26Å; K692-I696 WeakPolarHBondContact O-CG1 3.2Å; K692-I696 PolarHBondContact O-N 2.91Å |
| 693 | A | 95.4 | Very high | 95.2 | Very high | 46 Ų | 46 | 54.9 Ų | 54.9 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R689 P690 E691 I695 I696 S697 | R689-A693 PolarHBondContact O-N 2.69Å; R689-A693 VanDerWaalsContact O-N 3.12Å; P690-A693 PolarHBondContact O-N 2.87Å; E691-A693 VanDerWaalsContact C-N 3.31Å; E691-A693 PolarHBondContact O-N 2.75Å; A693-I695 PolarHBondContact O-N 2.97Å; A693-I696 PolarHBondContact O-N 2.93Å; A693-S697 PolarHBondContact O-N 2.89Å; A693-S697 PolarHBondContact O-OG 3.41Å |
| 694 | M | 95.4 | Very high | 95.5 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 176.1 | -171.5 | -175.3 | -52.7 | 0 | 0 | 112.3 | P690 E691 S697 F698 P706 R707 T714 I716 M744 Y746 | P690-M694 PolarHBondContact O-N 2.73Å; E691-M694 WeakPolarHBondContact O-CB 3.43Å; E691-M694 PolarHBondContact O-N 2.79Å; M694-S697 PolarHBondContact O-N 3.29Å; M694-F698 WeakPolarHBondContact O-CB 3.41Å; M694-F698 PolarHBondContact O-N 2.96Å; M694-P706 HydrophobicContact CE-CG 3.77Å; M694-P706 HydrophobicContact CG-CG 3.89Å; M694-P706 HydrophobicContact SD-CG 4.04Å; M694-R707 HydrophobicContact CE-CG 4.43Å; M694-T714 HydrophobicContact SD-CG2 3.93Å; M694-I716 HydrophobicContact SD-CD1 3.99Å; M694-M744 HydrophobicContact CG-CE 4.02Å; M694-M744 HydrophobicContact SD-CE 3.97Å; M694-Y746 WeakPolarHBondContact CG-OH 3.21Å; M694-Y746 PolarHBondContact SD-OH 2.84Å |
| 695 | I | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 178.6 | -67.4 | 170.9 | 0 | 0 | 0 | 111.1 | L680 F681 V687 E691 K692 A693 F698 I699 I716 L718 L742 M744 | L680-I695 HydrophobicContact CD1-CG2 4.26Å; F681-I695 HydrophobicContact CE1-CB 4.21Å; F681-I695 HydrophobicContact CE1-CD1 4Å; F681-I695 HydrophobicContact CE1-CG2 3.94Å; F681-I695 HydrophobicContact CZ-CB 4.09Å; F681-I695 HydrophobicContact CZ-CG2 3.97Å; V687-I695 HydrophobicContact CG1-CD1 4.08Å; E691-I695 VanDerWaalsContact O-CG1 3.27Å; E691-I695 WeakPolarHBondContact O-CG1 3.35Å; E691-I695 PolarHBondContact O-N 2.93Å; K692-I695 PolarHBondContact O-N 3.07Å; A693-I695 PolarHBondContact O-N 2.97Å; I695-F698 PolarHBondContact O-N 2.84Å; I695-I699 HydrophobicContact CG2-CD1 3.67Å; I695-I699 WeakPolarHBondContact O-CB 3.26Å; I695-I699 VanDerWaalsContact O-CG1 3.31Å; I695-I699 WeakPolarHBondContact O-CG1 3.37Å; I695-I699 PolarHBondContact O-N 3.35Å; I695-I716 HydrophobicContact CD1-CB 4.49Å; I695-I716 HydrophobicContact CD1-CD1 3.86Å; I695-I716 HydrophobicContact CD1-CG2 4.2Å; I695-I716 HydrophobicContact CG1-CD1 3.73Å; I695-L718 HydrophobicContact CD1-CD2 4.02Å; I695-L742 HydrophobicContact CB-CD2 4.42Å; I695-L742 HydrophobicContact CD1-CD2 3.89Å; I695-L742 HydrophobicContact CG1-CD2 3.79Å; I695-L742 HydrophobicContact CG2-CD2 3.83Å; I695-M744 HydrophobicContact CG1-CE 4.22Å; I695-M744 HydrophobicContact CG1-SD 3.96Å |
| 696 | I | 96.8 | Very high | 95.2 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.1 | -50.4 | 175.1 | -72.4 | 164.3 | 0 | 0 | 0 | 110.6 | L669 V677 F681 K692 A693 F698 I699 A700 | L669-I696 HydrophobicContact CD1-CG2 4.31Å; L669-I696 HydrophobicContact CD2-CG2 4.39Å; V677-I696 HydrophobicContact CG1-CD1 4.49Å; V677-I696 HydrophobicContact CG1-CG1 3.92Å; V677-I696 HydrophobicContact CG2-CG1 4.25Å; F681-I696 HydrophobicContact CE2-CD1 4.09Å; F681-I696 HydrophobicContact CE2-CG1 4.1Å; F681-I696 HydrophobicContact CZ-CG1 4.32Å; K692-I696 WeakPolarHBondContact O-CB 3.36Å; K692-I696 WeakPolarHBondContact O-CD1 3.47Å; K692-I696 VanDerWaalsContact O-CG1 3.26Å; K692-I696 WeakPolarHBondContact O-CG1 3.2Å; K692-I696 PolarHBondContact O-N 2.91Å; A693-I696 PolarHBondContact O-N 2.93Å; I696-F698 VanDerWaalsContact C-N 3.35Å; I696-F698 PolarHBondContact O-N 3.16Å; I696-I699 PolarHBondContact O-N 3.45Å; I696-A700 VanDerWaalsContact O-CB 3.32Å; I696-A700 WeakPolarHBondContact O-CB 3.37Å; I696-A700 PolarHBondContact O-N 2.91Å |
| 697 | S | 95.4 | Very high | 94.9 | Very high | 32 Ų | 32 | 57.7 Ų | 57.7 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 179.7 | -64.2 | 0 | 0 | 0 | 0 | 112.6 | A693 M694 G701 S702 | A693-S697 PolarHBondContact O-N 2.89Å; A693-S697 PolarHBondContact O-OG 3.41Å; M694-S697 PolarHBondContact O-N 3.29Å; S697-G701 PolarHBondContact O-N 3.46Å; S697-S702 VanDerWaalsContact O-CB 3.23Å; S697-S702 WeakPolarHBondContact O-CB 3.41Å; S697-S702 PolarHBondContact O-N 3.31Å |
| 698 | F | 96.6 | Very high | 94.6 | Very high | 5 Ų | 5 | 61.1 Ų | 61.1 | 2% | 0.022 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 176.8 | -172.2 | -88.2 | 0 | 0 | 0 | 111.8 | M694 I695 I696 G701 M744 D745 Y746 K750 Y751 | M694-F698 WeakPolarHBondContact O-CB 3.41Å; M694-F698 PolarHBondContact O-N 2.96Å; I695-F698 PolarHBondContact O-N 2.84Å; I696-F698 VanDerWaalsContact C-N 3.35Å; I696-F698 PolarHBondContact O-N 3.16Å; F698-G701 PolarHBondContact O-N 3.45Å; F698-G701 VanDerWaalsContact O-N 3.14Å; F698-M744 HydrophobicContact CB-SD 3.81Å; F698-M744 HydrophobicContact CD1-CB 4.29Å; F698-M744 HydrophobicContact CD1-CG 4.15Å; F698-M744 HydrophobicContact CD1-SD 4.05Å; F698-M744 HydrophobicContact CD2-CB 4.01Å; F698-M744 HydrophobicContact CD2-SD 4.31Å; F698-M744 HydrophobicContact CE1-CB 4.14Å; F698-M744 HydrophobicContact CE1-CG 4.31Å; F698-M744 HydrophobicContact CE2-CB 3.82Å; F698-M744 HydrophobicContact CG-CB 4.23Å; F698-M744 HydrophobicContact CG-CG 4.27Å; F698-M744 HydrophobicContact CG-SD 3.79Å; F698-M744 HydrophobicContact CZ-CB 3.89Å; F698-D745 WeakPolarHBondContact CZ-O 3.21Å; F698-Y746 AromaticContact CD2-CD1 3.78Å; F698-Y746 HydrophobicContact CD2-CD1 3.78Å; F698-Y746 AromaticContact CD2-CE1 3.59Å; F698-Y746 HydrophobicContact CD2-CE1 3.59Å; F698-Y746 HydrophobicContact CD2-CE2 4.42Å; F698-Y746 HydrophobicContact CD2-CG 4.28Å; F698-Y746 AromaticContact CD2-CZ 3.93Å; F698-Y746 AromaticContact CE2-CD1 3.94Å; F698-Y746 HydrophobicContact CE2-CD1 3.94Å; F698-Y746 HydrophobicContact CE2-CD2 4.36Å; F698-Y746 HydrophobicContact CE2-CE1 4.18Å; F698-Y746 HydrophobicContact CE2-CG 4.03Å; F698-K750 WeakPolarHBondContact CZ-O 3.43Å; F698-Y751 HydrophobicContact CD1-CD1 4.44Å; F698-Y751 HydrophobicContact CE1-CD1 4.04Å; F698-Y751 HydrophobicContact CE1-CG 4.45Å |
| 699 | I | 96.2 | Very high | 94.3 | Very high | 15 Ų | 15 | 64.6 Ų | 64.6 | 8% | 0.077 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.4 | -36.8 | -178.3 | -68.8 | 169.5 | 0 | 0 | 0 | 111.4 | Q673 T676 V677 L680 I695 I696 G701 | Q673-I699 HydrophobicContact CB-CG2 3.86Å; Q673-I699 HydrophobicContact CG-CG2 3.92Å; Q673-I699 PolarHBondContact NE2-O 3.43Å; T676-I699 HydrophobicContact CG2-CD1 4.16Å; V677-I699 HydrophobicContact CG2-CB 4.3Å; V677-I699 HydrophobicContact CG2-CD1 3.89Å; V677-I699 HydrophobicContact CG2-CG2 4.07Å; L680-I699 HydrophobicContact CD1-CD1 3.44Å; L680-I699 VanDerWaalsContact CD1-CD1 3.44Å; I695-I699 HydrophobicContact CG2-CD1 3.67Å; I695-I699 WeakPolarHBondContact O-CB 3.26Å; I695-I699 VanDerWaalsContact O-CG1 3.31Å; I695-I699 WeakPolarHBondContact O-CG1 3.37Å; I695-I699 PolarHBondContact O-N 3.35Å; I696-I699 PolarHBondContact O-N 3.45Å; I699-G701 PolarHBondContact O-N 3.08Å |
| 700 | A | 94.9 | Very high | 93.9 | Very high | 26 Ų | 26 | 57.8 Ų | 57.8 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.6 | -29.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L667 L669 Q673 I696 | L667-A700 HydrophobicContact CB-CB 4.37Å; L667-A700 HydrophobicContact CD2-CB 3.52Å; L669-A700 HydrophobicContact CD2-CB 3.68Å; Q673-A700 PolarHBondContact NE2-O 3.5Å; Q673-A700 VanDerWaalsContact NE2-O 3.09Å; I696-A700 VanDerWaalsContact O-CB 3.32Å; I696-A700 WeakPolarHBondContact O-CB 3.37Å; I696-A700 PolarHBondContact O-N 2.91Å |
| 701 | G | 94.1 | Very high | 93.7 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 34% | 0.34 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 134.8 | -4.3 | 172 | 0 | 0 | 0 | 0 | 0 | 115.1 | S697 F698 I699 R703 | S697-G701 PolarHBondContact O-N 3.46Å; F698-G701 PolarHBondContact O-N 3.45Å; F698-G701 VanDerWaalsContact O-N 3.14Å; I699-G701 PolarHBondContact O-N 3.08Å; G701-R703 PolarHBondContact O-NE 3.38Å |
| 702 | S | 92.7 | Very high | 93.6 | Very high | 38 Ų | 38 | 58.4 Ų | 58.4 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | trans | -60.8 | 141 | -180 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | S697 | S697-S702 VanDerWaalsContact O-CB 3.23Å; S697-S702 WeakPolarHBondContact O-CB 3.41Å; S697-S702 PolarHBondContact O-N 3.31Å | ||
| 703 | R | 94.1 | Very high | 93.6 | Very high | 122 Ų | 122 | 59.5 Ų | 59.5 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | trans | -120.9 | 2.1 | 177.7 | -55.3 | -61.5 | 151.8 | 76.9 | -0.5 | 113 | G701 N705 G749 | G701-R703 PolarHBondContact O-NE 3.38Å; R703-N705 PolarHBondContact O-N 3.39Å; R703-G749 VanDerWaalsContact CZ-CA 3.44Å | ||
| 704 | D | 93.5 | Very high | 93.5 | Very high | 135 Ų | 135 | 57.5 Ų | 57.5 | 72% | 0.722 | 32% | 0.318 | S | S | * | . | trans | -76.6 | 109.9 | 171.8 | -57.1 | -53.3 | 0 | 0 | 0 | 108.4 | P706 | D704-P706 VanDerWaalsContact O-CD 3.29Å; D704-P706 WeakPolarHBondContact O-CD 3.27Å | ||
| 705 | N | 92.1 | Very high | 93.6 | Very high | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | trans | -73 | 117.8 | 176.5 | -178.5 | 6.3 | 0 | 0 | 0 | 109.5 | R703 R707 P708 G711 Y746 | R703-N705 PolarHBondContact O-N 3.39Å; N705-R707 PolarHBondContact ND2-O 3.39Å; N705-R707 PolarHBondContact O-N 3.11Å; N705-R707 PolarHBondContact OD1-N 2.96Å; N705-P708 WeakPolarHBondContact O-CD 3.36Å; N705-G711 PolarHBondContact ND2-O 2.75Å; N705-Y746 HydrophobicContact CB-CD1 3.91Å; N705-Y746 HydrophobicContact CB-CD2 3.74Å; N705-Y746 HydrophobicContact CB-CE1 4.19Å; N705-Y746 HydrophobicContact CB-CE2 4.02Å; N705-Y746 HydrophobicContact CB-CG 3.68Å; N705-Y746 WeakPolarHBondContact OD1-CE2 3.45Å | ||
| 706 | P | 91.1 | Very high | 93.5 | Very high | 82 Ų | 82 | 63 Ų | 63 | 53% | 0.532 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -74.9 | -1 | 176.6 | 33.9 | -37.8 | 0 | 0 | 0 | 113.5 | M694 D704 Y746 | M694-P706 HydrophobicContact CE-CG 3.77Å; M694-P706 HydrophobicContact CG-CG 3.89Å; M694-P706 HydrophobicContact SD-CG 4.04Å; D704-P706 VanDerWaalsContact O-CD 3.29Å; D704-P706 WeakPolarHBondContact O-CD 3.27Å; P706-Y746 WeakPolarHBondContact CD-OH 3.49Å |
| 707 | R | 89.4 | Confident | 93.5 | Very high | 92 Ų | 92 | 64.9 Ų | 64.9 | 35% | 0.347 | 34% | 0.341 | S | S | . | . | trans | -132.4 | 59.7 | 176.7 | -73.5 | -171.2 | -171.9 | 156.7 | 2.6 | 111.2 | M694 N705 E709 T710 | M694-R707 HydrophobicContact CE-CG 4.43Å; N705-R707 PolarHBondContact ND2-O 3.39Å; N705-R707 PolarHBondContact O-N 3.11Å; N705-R707 PolarHBondContact OD1-N 2.96Å; R707-E709 WeakPolarHBondContact CA-OE1 3.42Å; R707-E709 VanDerWaalsContact CA-OE2 3.23Å; R707-E709 WeakPolarHBondContact CA-OE2 3.36Å; R707-E709 WeakPolarHBondContact CB-OE1 3.12Å; R707-E709 PolarHBondContact O-N 2.89Å; R707-T710 WeakPolarHBondContact O-CB 3.44Å; R707-T710 PolarHBondContact O-N 3.43Å | ||
| 708 | P | 89.2 | Confident | 93.6 | Very high | 86 Ų | 86 | 63.5 Ų | 63.5 | 56% | 0.558 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -62.5 | -24.9 | -175.3 | 29 | -35.8 | 0 | 0 | 0 | 112.8 | N705 T710 G711 | N705-P708 WeakPolarHBondContact O-CD 3.36Å; P708-T710 PolarHBondContact O-N 2.75Å; P708-G711 PolarHBondContact O-N 2.84Å |
| 709 | E | 91 | Very high | 93.6 | Very high | 142 Ų | 142 | 63.3 Ų | 63.3 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -64.5 | -21.3 | 174 | 76.6 | -59.6 | 144.3 | 0 | 0 | 113.7 | R707 G711 | R707-E709 WeakPolarHBondContact CA-OE1 3.42Å; R707-E709 VanDerWaalsContact CA-OE2 3.23Å; R707-E709 WeakPolarHBondContact CA-OE2 3.36Å; R707-E709 WeakPolarHBondContact CB-OE1 3.12Å; R707-E709 PolarHBondContact O-N 2.89Å; E709-G711 VanDerWaalsContact C-N 3.3Å |
| 710 | T | 88.2 | Confident | 93.6 | Very high | 83 Ų | 83 | 63.6 Ų | 63.6 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -83.4 | -7.6 | 172.7 | -54.4 | 0 | 0 | 0 | 0 | 112 | R707 P708 | R707-T710 WeakPolarHBondContact O-CB 3.44Å; R707-T710 PolarHBondContact O-N 3.43Å; P708-T710 PolarHBondContact O-N 2.75Å |
| 711 | G | 92.6 | Very high | 93.6 | Very high | 29 Ų | 29 | 63 Ų | 63 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | trans | 80.2 | 176.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N705 P708 E709 I713 | N705-G711 PolarHBondContact ND2-O 2.75Å; P708-G711 PolarHBondContact O-N 2.84Å; E709-G711 VanDerWaalsContact C-N 3.3Å; G711-I713 PolarHBondContact O-N 3.4Å | ||
| 712 | Q | 94 | Very high | 93.6 | Very high | 98 Ų | 98 | 63.4 Ų | 63.4 | 46% | 0.458 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -66.4 | -7.9 | -168.9 | -62.1 | -57.9 | 85.7 | 0 | 0 | 115.7 | Y746 | Q712-Y746 PolarHBondContact O-N 2.93Š|
| 713 | I | 95.1 | Very high | 93.6 | Very high | 97 Ų | 97 | 63.8 Ų | 63.8 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 108.2 | -179.7 | -57.2 | 178.1 | 0 | 0 | 0 | 109.2 | G711 T743 M744 D745 | G711-I713 PolarHBondContact O-N 3.4Å; I713-T743 HydrophobicContact CG2-CG2 3.45Å; I713-T743 VanDerWaalsContact CG2-CG2 3.45Å; I713-M744 CarbonylContact C-O 3.57Å; I713-M744 WeakPolarHBondContact CA-O 3.28Å; I713-D745 HydrophobicContact CG1-CB 4.14Å |
| 714 | T | 95.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 142.5 | 174 | -67.2 | 0 | 0 | 0 | 0 | 110.5 | M694 I716 M744 | M694-T714 HydrophobicContact SD-CG2 3.93Å; T714-I716 HydrophobicContact CG2-CG1 4.2Å; T714-M744 HydrophobicContact CG2-CE 4.27Å; T714-M744 PolarHBondContact N-O 3.04Å; T714-M744 PolarHBondContact O-N 2.9Å |
| 715 | R | 95.7 | Very high | 93.1 | Very high | 131 Ų | 131 | 59.5 Ų | 59.5 | 49% | 0.494 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 116.3 | 178.8 | -176.7 | 173.1 | 174.3 | -109.4 | 6.5 | 111 | F741 L742 | R715-F741 HydrophobicContact CG-CB 4.13Å; R715-F741 HydrophobicContact CG-CD1 3.98Å; R715-F741 HydrophobicContact CG-CG 4.37Å; R715-F741 VanDerWaalsContact CZ-CD1 3.48Å; R715-L742 WeakPolarHBondContact CA-O 3.48Å |
| 716 | I | 96.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 140.4 | -179.1 | -64.2 | 166.1 | 0 | 0 | 0 | 108.8 | V687 E691 M694 I695 T714 F741 L742 M744 | V687-I716 HydrophobicContact CG1-CG2 4.29Å; V687-I716 HydrophobicContact CG2-CG2 4.35Å; E691-I716 HydrophobicContact CB-CD1 4.11Å; E691-I716 HydrophobicContact CB-CG2 4.16Å; E691-I716 HydrophobicContact CG-CD1 4.29Å; E691-I716 HydrophobicContact CG-CG1 4.45Å; E691-I716 HydrophobicContact CG-CG2 4.34Å; M694-I716 HydrophobicContact SD-CD1 3.99Å; I695-I716 HydrophobicContact CD1-CB 4.49Å; I695-I716 HydrophobicContact CD1-CD1 3.86Å; I695-I716 HydrophobicContact CD1-CG2 4.2Å; I695-I716 HydrophobicContact CG1-CD1 3.73Å; T714-I716 HydrophobicContact CG2-CG1 4.2Å; I716-F741 CarbonylContact O-C 3.29Å; I716-F741 VanDerWaalsContact O-CA 3.26Å; I716-F741 WeakPolarHBondContact O-CA 3.45Å; I716-L742 PolarHBondContact N-O 2.86Å; I716-L742 PolarHBondContact O-N 2.88Å; I716-M744 HydrophobicContact CD1-CE 3.63Å |
| 717 | R | 97 | Very high | 92.5 | Very high | 89 Ų | 89 | 59.6 Ų | 59.6 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 117.3 | 171.8 | -162.7 | -176.2 | -62.2 | -167.6 | 14.6 | 108.9 | R686 E720 D739 T740 F741 | R686-R717 HydrophobicContact CB-CB 4.35Å; R686-R717 HydrophobicContact CB-CG 4.33Å; R686-R717 WeakPolarHBondContact CB-O 3.44Å; R686-R717 HydrophobicContact CG-CG 4.28Å; R717-E720 VanDerWaalsContact NH1-CD 3.28Å; R717-E720 IonicContact NH1-OE1 3.81Å; R717-E720 PolarHBondContact NH1-OE1 2.9Å; R717-E720 IonicContact NH1-OE2 2.73Å; R717-D739 WeakPolarHBondContact CD-OD1 3.28Å; R717-D739 IonicContact CZ-OD1 3.62Å; R717-D739 IonicContact NE-OD1 2.75Å; R717-D739 IonicContact NH1-OD1 3.53Å; R717-D739 PolarHBondContact NH1-OD1 3.07Å; R717-D739 IonicContact NH1-OD2 2.74Å; R717-T740 CarbonylContact C-O 3.56Å; R717-F741 HydrophobicContact CB-CD1 3.88Å; R717-F741 HydrophobicContact CB-CE1 3.76Å; R717-F741 HydrophobicContact CG-CD1 4.05Å; R717-F741 HydrophobicContact CG-CE1 3.77Å; R717-F741 HydrophobicContact CG-CZ 4.1Å |
| 718 | L | 97.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -55.2 | 177.5 | -64 | -177 | 0 | 0 | 0 | 111.3 | L680 A684 N685 R686 V687 I695 T740 L742 K753 | L680-L718 HydrophobicContact CD2-CD1 3.89Å; A684-L718 CarbonylContact C-O 3.58Å; A684-L718 VanDerWaalsContact C-O 3.29Å; A684-L718 WeakPolarHBondContact CA-O 3.23Å; N685-L718 PolarHBondContact N-O 2.71Å; R686-L718 PolarHBondContact N-O 3.44Å; V687-L718 HydrophobicContact CG2-CB 4.38Å; V687-L718 HydrophobicContact CG2-CD2 3.67Å; I695-L718 HydrophobicContact CD1-CD2 4.02Å; L718-T740 HydrophobicContact CB-CG2 4.3Å; L718-T740 HydrophobicContact CD1-CG2 4.11Å; L718-T740 PolarHBondContact N-O 3.01Å; L718-L742 HydrophobicContact CD1-CB 4.08Å; L718-L742 HydrophobicContact CD2-CB 3.92Å; L718-L742 HydrophobicContact CG-CB 3.96Å; L718-K753 HydrophobicContact CD1-CD 4.41Å; L718-K753 HydrophobicContact CD1-CG 4.18Å |
| 719 | S | 95.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156 | -174.6 | 79.3 | 0 | 0 | 0 | 0 | 112 | D683 N685 D739 T740 | D683-S719 VanDerWaalsContact O-CB 3.25Å; D683-S719 WeakPolarHBondContact O-CB 3.4Å; N685-S719 WeakPolarHBondContact OD1-CA 3.46Å; S719-D739 WeakPolarHBondContact O-CA 3.36Å; S719-T740 PolarHBondContact N-O 3.22Å; S719-T740 PolarHBondContact O-N 2.89Å; S719-T740 WeakPolarHBondContact OG-CB 3.41Å; S719-T740 PolarHBondContact OG-OG1 3.21Å |
| 720 | E | 95.2 | Very high | 91.7 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 9% | 0.093 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 116.7 | 168.9 | -177 | 173.7 | -143.4 | 0 | 0 | 108.2 | N685 R686 R717 V738 D739 R758 L768 | N685-E720 PolarHBondContact ND2-O 3.18Å; N685-E720 PolarHBondContact OD1-N 3.42Å; N685-E720 PolarHBondContact OD1-O 3.29Å; R686-E720 WeakPolarHBondContact CD-OE2 3.4Å; R686-E720 HydrophobicContact CG-CB 3.64Å; R686-E720 IonicContact CZ-OE2 3.27Å; R686-E720 IonicContact NE-OE2 2.67Å; R686-E720 IonicContact NH1-OE2 2.87Å; R686-E720 PolarHBondContact NH1-OE2 3.14Å; R717-E720 VanDerWaalsContact NH1-CD 3.28Å; R717-E720 IonicContact NH1-OE1 3.81Å; R717-E720 PolarHBondContact NH1-OE1 2.9Å; R717-E720 IonicContact NH1-OE2 2.73Å; E720-V738 WeakPolarHBondContact CA-O 3.32Å; E720-D739 WeakPolarHBondContact CG-OD1 3.41Å; E720-R758 IonicContact OE1-CZ 3.22Å; E720-R758 VanDerWaalsContact OE1-CZ 3.27Å; E720-R758 IonicContact OE1-NH1 2.84Å; E720-R758 PolarHBondContact OE1-NH1 3.23Å; E720-R758 IonicContact OE1-NH2 2.75Å; E720-R758 PolarHBondContact OE1-NH2 2.98Å; E720-L768 HydrophobicContact CG-CD1 4.11Å; E720-L768 HydrophobicContact CG-CD2 3.8Å |
| 721 | H | 94.5 | Very high | 91.6 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 6% | 0.06 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 170.2 | -178.6 | 54.7 | -120.2 | 0 | 0 | 0 | 110.5 | V738 P769 H771 | H721-V738 PolarHBondContact N-O 3.03Å; H721-V738 WeakPolarHBondContact NE2-CG1 3.38Å; H721-V738 PolarHBondContact O-N 2.94Å; H721-P769 WeakPolarHBondContact CA-O 3.16Å; H721-P769 HydrophobicContact CB-CG 4.17Å; H721-P769 WeakPolarHBondContact CB-O 3.49Å; H721-H771 HydrophobicContact CB-CB 4.29Å; H721-H771 AromaticContact CD2-CG 3.97Å; H721-H771 AromaticContact CE1-CD2 3.43Å; H721-H771 PolarHBondContact CE1-CD2 3.37Å; H721-H771 VanDerWaalsContact CE1-CD2 3.43Å; H721-H771 AromaticContact CE1-CG 3.88Å; H721-H771 AromaticContact CE1-NE2 3.93Å; H721-H771 AromaticContact CG-CD2 3.95Å; H721-H771 AromaticContact ND1-CD2 3.52Å; H721-H771 AromaticContact NE2-CD2 3.83Å; H721-H771 AromaticContact NE2-CG 3.8Å |
| 722 | R | 94.2 | Very high | 91.2 | Very high | 43 Ų | 43 | 61.6 Ų | 61.6 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 146.3 | 167 | 64.8 | 175.1 | 136 | 164.9 | -6.6 | 111.6 | D735 L736 L765 V766 L768 P769 L770 H771 | R722-D735 VanDerWaalsContact CD-OD2 3.29Å; R722-D735 WeakPolarHBondContact CD-OD2 3.29Å; R722-D735 IonicContact NH1-OD2 2.71Å; R722-D735 PolarHBondContact NH1-OD2 3.2Å; R722-L736 CarbonylContact C-O 3.57Å; R722-L736 VanDerWaalsContact CA-O 3.22Å; R722-L736 WeakPolarHBondContact CA-O 3.33Å; R722-L765 HydrophobicContact CB-CD2 4.48Å; R722-L765 WeakPolarHBondContact CD-O 2.97Å; R722-L765 PolarHBondContact NE-O 2.98Å; R722-V766 PolarHBondContact NH2-O 3.27Å; R722-L768 HydrophobicContact CB-CB 4.21Å; R722-L768 HydrophobicContact CG-CB 4.42Å; R722-L768 PolarHBondContact NE-O 3.3Å; R722-L768 PolarHBondContact NH2-O 3.36Å; R722-P769 PolarHBondContact N-O 3.3Å; R722-L770 HydrophobicContact CG-CB 4.27Å; R722-L770 HydrophobicContact CG-CD1 3.97Å; R722-H771 PolarHBondContact O-N 3.07Å |
| 723 | E | 92.9 | Very high | 90.9 | Very high | 45 Ų | 45 | 62.7 Ų | 62.7 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.3 | 177.9 | -174.3 | 174.8 | 171.2 | 0 | 0 | 110.1 | V725 L736 V738 K755 Y757 | E723-V725 HydrophobicContact CG-CG2 4.18Å; E723-L736 PolarHBondContact N-O 2.77Å; E723-L736 PolarHBondContact O-N 3.13Å; E723-V738 HydrophobicContact CB-CG2 3.71Å; E723-K755 IonicContact OE1-NZ 3.53Å; E723-K755 WeakPolarHBondContact OE2-CE 3.2Å; E723-K755 IonicContact OE2-NZ 3.92Å; E723-K755 PolarHBondContact OE2-NZ 3.44Å; E723-Y757 WeakPolarHBondContact OE2-CE1 3.22Å |
| 724 | R | 90.3 | Very high | 90.5 | Very high | 155 Ų | 155 | 61.1 Ų | 61.1 | 59% | 0.585 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 105.7 | 177 | -84.8 | -178.9 | 172 | -179.7 | -0.4 | 110.7 | D735 | R724-D735 WeakPolarHBondContact CG-OD1 3.37Å; R724-D735 IonicContact CZ-OD1 3.67Å; R724-D735 IonicContact NE-OD1 2.71Å; R724-D735 PolarHBondContact NE-OD1 3.5Å; R724-D735 IonicContact NH2-OD1 3.36Å; R724-D735 PolarHBondContact NH2-OD1 3.42Å; R724-D735 IonicContact NH2-OD2 3.05Å |
| 725 | V | 87.7 | Confident | 90.3 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.9 | -177.2 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | I537 E723 N727 M734 L736 Y757 | I537-V725 HydrophobicContact CB-CG1 4.5Å; I537-V725 HydrophobicContact CD1-CG1 4.23Å; I537-V725 HydrophobicContact CG1-CG1 4Å; I537-V725 HydrophobicContact CG2-CG1 4Å; E723-V725 HydrophobicContact CG-CG2 4.18Å; V725-N727 PolarHBondContact O-N 3.2Å; V725-M734 PolarHBondContact N-O 3.23Å; V725-M734 PolarHBondContact O-N 2.8Å; V725-L736 HydrophobicContact CB-CD1 4.1Å; V725-L736 HydrophobicContact CG1-CD1 4.48Å; V725-L736 HydrophobicContact CG2-CD1 4.06Å; V725-Y757 HydrophobicContact CG2-CE1 4.41Å |
| 726 | L | 87.7 | Confident | 90.1 | Very high | 94 Ų | 94 | 56.7 Ų | 56.7 | 49% | 0.492 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 115.6 | 172.4 | -175 | 67.5 | 0 | 0 | 0 | 109.6 | Q728 G731 L733 | L726-Q728 PolarHBondContact O-N 3.09Å; L726-G731 WeakPolarHBondContact CD1-O 3.48Å; L726-L733 HydrophobicContact CB-CD2 4.24Å; L726-L733 HydrophobicContact CD1-CD2 4.2Å; L726-L733 HydrophobicContact CD1-CG 4.49Å |
| 727 | N | 82.8 | Confident | 90 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | trans | -73 | 107.8 | 173.1 | -179.8 | -19.3 | 0 | 0 | 0 | 109.2 | V725 N729 T730 G731 Q732 | V725-N727 PolarHBondContact O-N 3.2Å; N727-N729 PolarHBondContact O-N 3.48Å; N727-N729 VanDerWaalsContact O-N 3.1Å; N727-N729 WeakPolarHBondContact OD1-CB 3.43Å; N727-N729 PolarHBondContact OD1-N 3.25Å; N727-N729 VanDerWaalsContact OD1-N 3.07Å; N727-T730 WeakPolarHBondContact CB-OG1 3.48Å; N727-T730 VanDerWaalsContact CG-OG1 3.31Å; N727-T730 PolarHBondContact O-N 3.2Å; N727-T730 VanDerWaalsContact O-N 3.16Å; N727-G731 PolarHBondContact O-N 2.99Å; N727-Q732 PolarHBondContact N-O 3.3Å | ||
| 728 | Q | 82.5 | Confident | 89.9 | Confident | 103 Ų | 103 | 52.3 Ų | 52.3 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.9 | -175.3 | -61.7 | -170.6 | -7.7 | 0 | 0 | 113.7 | Q536 L726 | Q536-Q728 VanDerWaalsContact O-CD 3.25Å; Q536-Q728 PolarHBondContact O-NE2 3.45Å; L726-Q728 PolarHBondContact O-N 3.09Å |
| 729 | N | 84 | Confident | 89.7 | Confident | 105 Ų | 105 | 52.7 Ų | 52.7 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -23.1 | -177.1 | -52.8 | -21.9 | 0 | 0 | 0 | 113 | Y534 N727 | Y534-N729 PolarHBondContact O-ND2 3.2Å; N727-N729 PolarHBondContact O-N 3.48Å; N727-N729 VanDerWaalsContact O-N 3.1Å; N727-N729 WeakPolarHBondContact OD1-CB 3.43Å; N727-N729 PolarHBondContact OD1-N 3.25Å; N727-N729 VanDerWaalsContact OD1-N 3.07Å |
| 730 | T | 85.4 | Confident | 89.7 | Confident | 77 Ų | 77 | 53.2 Ų | 53.2 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -14.4 | -174.3 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | N727 Q732 | N727-T730 WeakPolarHBondContact CB-OG1 3.48Å; N727-T730 VanDerWaalsContact CG-OG1 3.31Å; N727-T730 PolarHBondContact O-N 3.2Å; N727-T730 VanDerWaalsContact O-N 3.16Å; T730-Q732 PolarHBondContact O-N 3.5Å; T730-Q732 PolarHBondContact OG1-N 3.21Å |
| 731 | G | 86.3 | Confident | 89.8 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 56% | 0.557 | 27% | 0.273 | S | S | * | . | trans | 68.1 | 8.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114 | L726 N727 | L726-G731 WeakPolarHBondContact CD1-O 3.48Å; N727-G731 PolarHBondContact O-N 2.99Å | ||
| 732 | Q | 85.2 | Confident | 90 | Very high | 135 Ų | 135 | 52.5 Ų | 52.5 | 63% | 0.631 | 27% | 0.27 | S | S | * | . | trans | -94.3 | 142.1 | -178.4 | -60.8 | -174.6 | 10.3 | 0 | 0 | 111.3 | N727 T730 | N727-Q732 PolarHBondContact N-O 3.3Å; T730-Q732 PolarHBondContact O-N 3.5Å; T730-Q732 PolarHBondContact OG1-N 3.21Å | ||
| 733 | L | 86.6 | Confident | 90.1 | Very high | 122 Ų | 122 | 52 Ų | 52 | 64% | 0.639 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 131.1 | 167.5 | -70.2 | 171.2 | 0 | 0 | 0 | 109.2 | L726 | L726-L733 HydrophobicContact CB-CD2 4.24Å; L726-L733 HydrophobicContact CD1-CD2 4.2Å; L726-L733 HydrophobicContact CD1-CG 4.49Å |
| 734 | M | 87 | Confident | 90.3 | Very high | 63 Ų | 63 | 49.9 Ų | 49.9 | 31% | 0.31 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.4 | 179.1 | -169.4 | 171.3 | 68 | 0 | 0 | 108.8 | V535 V725 L736 | V535-M734 HydrophobicContact CG2-CE 4.11Å; V725-M734 PolarHBondContact N-O 3.23Å; V725-M734 PolarHBondContact O-N 2.8Å; M734-L736 HydrophobicContact CE-CD1 4.18Å; M734-L736 HydrophobicContact CE-CD2 3.77Å; M734-L736 HydrophobicContact CE-CG 3.94Å |
| 735 | D | 90.7 | Very high | 90.6 | Very high | 34 Ų | 34 | 43.8 Ų | 43.8 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 127.6 | 167.6 | -75.1 | 28.8 | 0 | 0 | 0 | 107.6 | R722 R724 L765 | R722-D735 VanDerWaalsContact CD-OD2 3.29Å; R722-D735 WeakPolarHBondContact CD-OD2 3.29Å; R722-D735 IonicContact NH1-OD2 2.71Å; R722-D735 PolarHBondContact NH1-OD2 3.2Å; R724-D735 WeakPolarHBondContact CG-OD1 3.37Å; R724-D735 IonicContact CZ-OD1 3.67Å; R724-D735 IonicContact NE-OD1 2.71Å; R724-D735 PolarHBondContact NE-OD1 3.5Å; R724-D735 IonicContact NH2-OD1 3.36Å; R724-D735 PolarHBondContact NH2-OD1 3.42Å; R724-D735 IonicContact NH2-OD2 3.05Å; D735-L765 HydrophobicContact CB-CD1 4.05Å; D735-L765 VanDerWaalsContact O-CD1 3.31Å; D735-L765 WeakPolarHBondContact O-CD1 3.47Å |
| 736 | L | 92 | Very high | 91 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 145.2 | 172.4 | -80.6 | 174.9 | 0 | 0 | 0 | 110 | I537 R722 E723 V725 M734 Y757 | I537-L736 HydrophobicContact CD1-CD1 3.77Å; R722-L736 CarbonylContact C-O 3.57Å; R722-L736 VanDerWaalsContact CA-O 3.22Å; R722-L736 WeakPolarHBondContact CA-O 3.33Å; E723-L736 PolarHBondContact N-O 2.77Å; E723-L736 PolarHBondContact O-N 3.13Å; V725-L736 HydrophobicContact CB-CD1 4.1Å; V725-L736 HydrophobicContact CG1-CD1 4.48Å; V725-L736 HydrophobicContact CG2-CD1 4.06Å; M734-L736 HydrophobicContact CE-CD1 4.18Å; M734-L736 HydrophobicContact CE-CD2 3.77Å; M734-L736 HydrophobicContact CE-CG 3.94Å; L736-Y757 HydrophobicContact CD1-CD1 4.42Å |
| 737 | A | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 135.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | R758 D760 L765 L768 | A737-R758 HydrophobicContact CB-CG 3.55Å; A737-R758 PolarHBondContact N-O 3.25Å; A737-R758 PolarHBondContact O-N 3.05Å; A737-D760 HydrophobicContact CB-CB 3.92Å; A737-L765 HydrophobicContact CB-CD2 3.72Å; A737-L765 VanDerWaalsContact N-CD2 3.29Å; A737-L768 HydrophobicContact CB-CD1 3.65Å |
| 738 | V | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 113.9 | -171.5 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | E720 H721 E723 K755 C756 Y757 | E720-V738 WeakPolarHBondContact CA-O 3.32Å; H721-V738 PolarHBondContact N-O 3.03Å; H721-V738 WeakPolarHBondContact NE2-CG1 3.38Å; H721-V738 PolarHBondContact O-N 2.94Å; E723-V738 HydrophobicContact CB-CG2 3.71Å; V738-K755 HydrophobicContact CG1-CD 4.17Å; V738-K755 HydrophobicContact CG1-CG 3.82Å; V738-C756 WeakPolarHBondContact CA-O 3.4Å; V738-Y757 HydrophobicContact CG2-CD1 3.6Å; V738-Y757 HydrophobicContact CG2-CE1 3.8Å; V738-Y757 HydrophobicContact CG2-CG 4.48Å |
| 739 | D | 95.2 | Very high | 92.5 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 125.2 | 173.1 | -67.6 | -55.2 | 0 | 0 | 0 | 109.7 | R717 S719 E720 F741 C756 R758 | R717-D739 WeakPolarHBondContact CD-OD1 3.28Å; R717-D739 IonicContact CZ-OD1 3.62Å; R717-D739 IonicContact NE-OD1 2.75Å; R717-D739 IonicContact NH1-OD1 3.53Å; R717-D739 PolarHBondContact NH1-OD1 3.07Å; R717-D739 IonicContact NH1-OD2 2.74Å; S719-D739 WeakPolarHBondContact O-CA 3.36Å; E720-D739 WeakPolarHBondContact CG-OD1 3.41Å; D739-F741 HydrophobicContact CB-CD2 3.98Å; D739-F741 HydrophobicContact CB-CE2 3.25Å; D739-F741 HydrophobicContact CB-CZ 3.8Å; D739-C756 HydrophobicContact CB-CB 4.42Å; D739-C756 PolarHBondContact N-O 2.9Å; D739-C756 PolarHBondContact O-N 3.38Å; D739-R758 IonicContact OD1-NH1 2.91Å; D739-R758 PolarHBondContact OD1-NH1 3.2Å; D739-R758 IonicContact OD2-CZ 3.63Å; D739-R758 IonicContact OD2-NH1 3.44Å; D739-R758 PolarHBondContact OD2-NH1 3.29Å |
| 740 | T | 96.1 | Very high | 93.1 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.5 | 165.7 | -50.6 | 0 | 0 | 0 | 0 | 108.8 | R717 L718 S719 K753 V754 | R717-T740 CarbonylContact C-O 3.56Å; L718-T740 HydrophobicContact CB-CG2 4.3Å; L718-T740 HydrophobicContact CD1-CG2 4.11Å; L718-T740 PolarHBondContact N-O 3.01Å; S719-T740 PolarHBondContact N-O 3.22Å; S719-T740 PolarHBondContact O-N 2.89Å; S719-T740 WeakPolarHBondContact OG-CB 3.41Å; S719-T740 PolarHBondContact OG-OG1 3.21Å; T740-K753 HydrophobicContact CG2-CD 4.33Å; T740-K753 HydrophobicContact CG2-CG 3.73Å; T740-V754 WeakPolarHBondContact CA-O 3.29Å |
| 741 | F | 97 | Very high | 93.6 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 148.2 | 175.6 | -63.8 | -94.5 | 0 | 0 | 0 | 111.3 | R715 I716 R717 D739 K753 V754 C756 | R715-F741 HydrophobicContact CG-CB 4.13Å; R715-F741 HydrophobicContact CG-CD1 3.98Å; R715-F741 HydrophobicContact CG-CG 4.37Å; R715-F741 VanDerWaalsContact CZ-CD1 3.48Å; I716-F741 CarbonylContact O-C 3.29Å; I716-F741 VanDerWaalsContact O-CA 3.26Å; I716-F741 WeakPolarHBondContact O-CA 3.45Å; R717-F741 HydrophobicContact CB-CD1 3.88Å; R717-F741 HydrophobicContact CB-CE1 3.76Å; R717-F741 HydrophobicContact CG-CD1 4.05Å; R717-F741 HydrophobicContact CG-CE1 3.77Å; R717-F741 HydrophobicContact CG-CZ 4.1Å; D739-F741 HydrophobicContact CB-CD2 3.98Å; D739-F741 HydrophobicContact CB-CE2 3.25Å; D739-F741 HydrophobicContact CB-CZ 3.8Å; F741-K753 CarbonylContact O-C 3.48Å; F741-K753 WeakPolarHBondContact O-CA 3.46Å; F741-V754 PolarHBondContact N-O 3.13Å; F741-V754 PolarHBondContact O-N 2.85Å; F741-C756 HydrophobicContact CD2-CB 4.48Å; F741-C756 HydrophobicContact CE2-CB 4.19Å |
| 742 | L | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.8 | 161.5 | -171.6 | 71.6 | 0 | 0 | 0 | 108.3 | L680 I695 R715 I716 L718 M744 Y751 E752 | L680-L742 HydrophobicContact CD1-CD1 4.25Å; L680-L742 HydrophobicContact CD1-CD2 4.23Å; L680-L742 HydrophobicContact CD2-CD1 4Å; I695-L742 HydrophobicContact CB-CD2 4.42Å; I695-L742 HydrophobicContact CD1-CD2 3.89Å; I695-L742 HydrophobicContact CG1-CD2 3.79Å; I695-L742 HydrophobicContact CG2-CD2 3.83Å; R715-L742 WeakPolarHBondContact CA-O 3.48Å; I716-L742 PolarHBondContact N-O 2.86Å; I716-L742 PolarHBondContact O-N 2.88Å; L718-L742 HydrophobicContact CD1-CB 4.08Å; L718-L742 HydrophobicContact CD2-CB 3.92Å; L718-L742 HydrophobicContact CG-CB 3.96Å; L742-M744 HydrophobicContact CD2-CG 3.82Å; L742-M744 HydrophobicContact CD2-SD 3.74Å; L742-M744 HydrophobicContact CG-CG 3.92Å; L742-M744 HydrophobicContact CG-SD 4.48Å; L742-Y751 HydrophobicContact CD1-CD2 3.85Å; L742-Y751 HydrophobicContact CD1-CG 4.4Å; L742-E752 WeakPolarHBondContact CA-O 3.49Å |
| 743 | T | 96.7 | Very high | 94.6 | Very high | 33 Ų | 33 | 36.1 Ų | 36.1 | 20% | 0.202 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 133.2 | 167.3 | -52.7 | 0 | 0 | 0 | 0 | 107.9 | I713 Y751 E752 | I713-T743 HydrophobicContact CG2-CG2 3.45Å; I713-T743 VanDerWaalsContact CG2-CG2 3.45Å; T743-Y751 CarbonylContact O-C 3.59Å; T743-Y751 WeakPolarHBondContact O-CA 3.39Å; T743-Y751 WeakPolarHBondContact O-CB 3.46Å; T743-E752 PolarHBondContact N-O 3.01Å; T743-E752 PolarHBondContact O-N 3.45Å |
| 744 | M | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 119.9 | 179.7 | -60.7 | -176.5 | -56.9 | 0 | 0 | 109.2 | M694 I695 F698 I713 T714 I716 L742 | M694-M744 HydrophobicContact CG-CE 4.02Å; M694-M744 HydrophobicContact SD-CE 3.97Å; I695-M744 HydrophobicContact CG1-CE 4.22Å; I695-M744 HydrophobicContact CG1-SD 3.96Å; F698-M744 HydrophobicContact CB-SD 3.81Å; F698-M744 HydrophobicContact CD1-CB 4.29Å; F698-M744 HydrophobicContact CD1-CG 4.15Å; F698-M744 HydrophobicContact CD1-SD 4.05Å; F698-M744 HydrophobicContact CD2-CB 4.01Å; F698-M744 HydrophobicContact CD2-SD 4.31Å; F698-M744 HydrophobicContact CE1-CB 4.14Å; F698-M744 HydrophobicContact CE1-CG 4.31Å; F698-M744 HydrophobicContact CE2-CB 3.82Å; F698-M744 HydrophobicContact CG-CB 4.23Å; F698-M744 HydrophobicContact CG-CG 4.27Å; F698-M744 HydrophobicContact CG-SD 3.79Å; F698-M744 HydrophobicContact CZ-CB 3.89Å; I713-M744 CarbonylContact C-O 3.57Å; I713-M744 WeakPolarHBondContact CA-O 3.28Å; T714-M744 HydrophobicContact CG2-CE 4.27Å; T714-M744 PolarHBondContact N-O 3.04Å; T714-M744 PolarHBondContact O-N 2.9Å; I716-M744 HydrophobicContact CD1-CE 3.63Å; L742-M744 HydrophobicContact CD2-CG 3.82Å; L742-M744 HydrophobicContact CD2-SD 3.74Å; L742-M744 HydrophobicContact CG-CG 3.92Å; L742-M744 HydrophobicContact CG-SD 4.48Å |
| 745 | D | 96.5 | Very high | 95.4 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 14% | 0.144 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 106.4 | 176.8 | 173 | 8.1 | 0 | 0 | 0 | 109.7 | F698 I713 S747 T748 G749 K750 | F698-D745 WeakPolarHBondContact CZ-O 3.21Å; I713-D745 HydrophobicContact CG1-CB 4.14Å; D745-S747 VanDerWaalsContact C-N 3.26Å; D745-S747 PolarHBondContact O-N 3.42Å; D745-S747 WeakPolarHBondContact OD1-CA 3.31Å; D745-S747 WeakPolarHBondContact OD1-CB 3.44Å; D745-S747 PolarHBondContact OD1-N 3.03Å; D745-S747 PolarHBondContact OD1-OG 3.29Å; D745-S747 PolarHBondContact OD2-OG 2.87Å; D745-T748 PolarHBondContact OD1-N 3.16Å; D745-T748 WeakPolarHBondContact OD2-CB 3.16Å; D745-T748 WeakPolarHBondContact OD2-CG2 3.21Å; D745-T748 PolarHBondContact OD2-OG1 3.1Å; D745-G749 VanDerWaalsContact O-CA 3.29Å; D745-G749 WeakPolarHBondContact O-CA 3.32Å; D745-G749 PolarHBondContact O-N 2.81Å; D745-K750 PolarHBondContact N-O 2.64Å; D745-K750 PolarHBondContact O-N 3.49Å |
| 746 | Y | 96.7 | Very high | 95.5 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -22.8 | 179.6 | -70.3 | -91.2 | 0 | 0 | 0 | 112.8 | M694 F698 N705 P706 Q712 | M694-Y746 WeakPolarHBondContact CG-OH 3.21Å; M694-Y746 PolarHBondContact SD-OH 2.84Å; F698-Y746 AromaticContact CD2-CD1 3.78Å; F698-Y746 HydrophobicContact CD2-CD1 3.78Å; F698-Y746 AromaticContact CD2-CE1 3.59Å; F698-Y746 HydrophobicContact CD2-CE1 3.59Å; F698-Y746 HydrophobicContact CD2-CE2 4.42Å; F698-Y746 HydrophobicContact CD2-CG 4.28Å; F698-Y746 AromaticContact CD2-CZ 3.93Å; F698-Y746 AromaticContact CE2-CD1 3.94Å; F698-Y746 HydrophobicContact CE2-CD1 3.94Å; F698-Y746 HydrophobicContact CE2-CD2 4.36Å; F698-Y746 HydrophobicContact CE2-CE1 4.18Å; F698-Y746 HydrophobicContact CE2-CG 4.03Å; N705-Y746 HydrophobicContact CB-CD1 3.91Å; N705-Y746 HydrophobicContact CB-CD2 3.74Å; N705-Y746 HydrophobicContact CB-CE1 4.19Å; N705-Y746 HydrophobicContact CB-CE2 4.02Å; N705-Y746 HydrophobicContact CB-CG 3.68Å; N705-Y746 WeakPolarHBondContact OD1-CE2 3.45Å; P706-Y746 WeakPolarHBondContact CD-OH 3.49Å; Q712-Y746 PolarHBondContact O-N 2.93Å |
| 747 | S | 94.4 | Very high | 95.6 | Very high | 82 Ų | 82 | 29.1 Ų | 29.1 | 57% | 0.573 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -33.9 | 178.8 | 74.6 | 0 | 0 | 0 | 0 | 113.2 | D745 | D745-S747 VanDerWaalsContact C-N 3.26Å; D745-S747 PolarHBondContact O-N 3.42Å; D745-S747 WeakPolarHBondContact OD1-CA 3.31Å; D745-S747 WeakPolarHBondContact OD1-CB 3.44Å; D745-S747 PolarHBondContact OD1-N 3.03Å; D745-S747 PolarHBondContact OD1-OG 3.29Å; D745-S747 PolarHBondContact OD2-OG 2.87Å |
| 748 | T | 95.3 | Very high | 95.5 | Very high | 75 Ų | 75 | 31.7 Ų | 31.7 | 46% | 0.46 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -13.9 | 177.1 | 66.3 | 0 | 0 | 0 | 0 | 114.1 | D745 K750 | D745-T748 PolarHBondContact OD1-N 3.16Å; D745-T748 WeakPolarHBondContact OD2-CB 3.16Å; D745-T748 WeakPolarHBondContact OD2-CG2 3.21Å; D745-T748 PolarHBondContact OD2-OG1 3.1Å; T748-K750 VanDerWaalsContact C-N 3.26Å; T748-K750 PolarHBondContact O-N 3.16Å; T748-K750 PolarHBondContact OG1-N 3.36Å |
| 749 | G | 95.1 | Very high | 95.2 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 12% | 0.124 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 15.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R703 D745 | R703-G749 VanDerWaalsContact CZ-CA 3.44Å; D745-G749 VanDerWaalsContact O-CA 3.29Å; D745-G749 WeakPolarHBondContact O-CA 3.32Å; D745-G749 PolarHBondContact O-N 2.81Å |
| 750 | K | 95.9 | Very high | 94.9 | Very high | 123 Ų | 123 | 38 Ų | 38 | 54% | 0.535 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 148.3 | -179 | -62.6 | -166.4 | 176.7 | -149 | 0 | 111.5 | F698 D745 T748 | F698-K750 WeakPolarHBondContact CZ-O 3.43Å; D745-K750 PolarHBondContact N-O 2.64Å; D745-K750 PolarHBondContact O-N 3.49Å; T748-K750 VanDerWaalsContact C-N 3.26Å; T748-K750 PolarHBondContact O-N 3.16Å; T748-K750 PolarHBondContact OG1-N 3.36Å |
| 751 | Y | 96.5 | Very high | 94.6 | Very high | 30 Ų | 30 | 40 Ų | 40 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 159.4 | 172.7 | 64.1 | -89.4 | 0 | 0 | 0 | 111.4 | P329 T676 F698 L742 T743 | P329-Y751 HydrophobicContact CB-CE1 4.19Å; P329-Y751 HydrophobicContact CG-CE1 3.97Å; T676-Y751 HydrophobicContact CG2-CE2 4.27Å; T676-Y751 WeakPolarHBondContact CG2-OH 3.44Å; F698-Y751 HydrophobicContact CD1-CD1 4.44Å; F698-Y751 HydrophobicContact CE1-CD1 4.04Å; F698-Y751 HydrophobicContact CE1-CG 4.45Å; L742-Y751 HydrophobicContact CD1-CD2 3.85Å; L742-Y751 HydrophobicContact CD1-CG 4.4Å; T743-Y751 CarbonylContact O-C 3.59Å; T743-Y751 WeakPolarHBondContact O-CA 3.39Å; T743-Y751 WeakPolarHBondContact O-CB 3.46Å |
| 752 | E | 95.6 | Very high | 94.1 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 132.1 | -177 | -169.6 | 176 | -112 | 0 | 0 | 111 | I324 L742 T743 V754 | I324-E752 HydrophobicContact CG2-CG 4.19Å; I324-E752 WeakPolarHBondContact CG2-OE1 3.25Å; I324-E752 WeakPolarHBondContact CG2-OE2 3.36Å; L742-E752 WeakPolarHBondContact CA-O 3.49Å; T743-E752 PolarHBondContact N-O 3.01Å; T743-E752 PolarHBondContact O-N 3.45Å; E752-V754 HydrophobicContact CB-CG2 4.49Å; E752-V754 HydrophobicContact CG-CG2 3.92Å; E752-V754 WeakPolarHBondContact OE2-CG2 3.47Å |
| 753 | K | 95.9 | Very high | 93.7 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 107.3 | 175.7 | -167.1 | 176.3 | -175.3 | 176.9 | 0 | 108.2 | C325 S679 L680 L718 T740 F741 | C325-K753 WeakPolarHBondContact CB-O 3.42Å; S679-K753 PolarHBondContact O-NZ 3.41Å; L680-K753 HydrophobicContact CD2-CD 4.01Å; L680-K753 HydrophobicContact CD2-CG 4.49Å; L718-K753 HydrophobicContact CD1-CD 4.41Å; L718-K753 HydrophobicContact CD1-CG 4.18Å; T740-K753 HydrophobicContact CG2-CD 4.33Å; T740-K753 HydrophobicContact CG2-CG 3.73Å; F741-K753 CarbonylContact O-C 3.48Å; F741-K753 WeakPolarHBondContact O-CA 3.46Å |
| 754 | V | 95.1 | Very high | 93.3 | Very high | 10 Ų | 10 | 51 Ų | 51 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.8 | -175 | -176.5 | 0 | 0 | 0 | 0 | 110 | I324 T740 F741 E752 | I324-V754 HydrophobicContact CG1-CG1 4.3Å; T740-V754 WeakPolarHBondContact CA-O 3.29Å; F741-V754 PolarHBondContact N-O 3.13Å; F741-V754 PolarHBondContact O-N 2.85Å; E752-V754 HydrophobicContact CB-CG2 4.49Å; E752-V754 HydrophobicContact CG-CG2 3.92Å; E752-V754 WeakPolarHBondContact OE2-CG2 3.47Å |
| 755 | K | 95.1 | Very high | 93 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.9 | 175.6 | -166 | 178.8 | -178.5 | -167 | 0 | 109.3 | I323 E723 V738 Y757 | I323-K755 PolarHBondContact N-O 2.91Å; I323-K755 PolarHBondContact O-N 3.04Å; I323-K755 VanDerWaalsContact O-O 3.1Å; E723-K755 IonicContact OE1-NZ 3.53Å; E723-K755 WeakPolarHBondContact OE2-CE 3.2Å; E723-K755 IonicContact OE2-NZ 3.92Å; E723-K755 PolarHBondContact OE2-NZ 3.44Å; V738-K755 HydrophobicContact CG1-CD 4.17Å; V738-K755 HydrophobicContact CG1-CG 3.82Å; K755-Y757 HydrophobicContact CD-CE2 4.08Å; K755-Y757 WeakPolarHBondContact CD-OH 3.47Å; K755-Y757 VanDerWaalsContact CE-OH 3.27Å; K755-Y757 WeakPolarHBondContact CE-OH 3.4Å; K755-Y757 HydrophobicContact CG-CE2 4.09Å; K755-Y757 PolarHBondContact NZ-OH 2.99Å |
| 756 | C | 93.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.02 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.9 | 179.6 | -66.1 | 0 | 0 | 0 | 0 | 109.9 | P320 V321 V738 D739 F741 | P320-C756 HydrophobicContact CB-CB 4.48Å; V321-C756 WeakPolarHBondContact O-CA 3.45Å; V738-C756 WeakPolarHBondContact CA-O 3.4Å; D739-C756 HydrophobicContact CB-CB 4.42Å; D739-C756 PolarHBondContact N-O 2.9Å; D739-C756 PolarHBondContact O-N 3.38Å; F741-C756 HydrophobicContact CD2-CB 4.48Å; F741-C756 HydrophobicContact CE2-CB 4.19Å |
| 757 | Y | 93.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 60.5 Ų | 60.5 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127 | 172.2 | -60.2 | -100.5 | 0 | 0 | 0 | 108.9 | P320 V321 I323 I537 E723 V725 L736 V738 K755 | P320-Y757 CarbonylContact C-O 3.54Å; P320-Y757 WeakPolarHBondContact CA-O 3.5Å; P320-Y757 WeakPolarHBondContact CB-O 3.48Å; V321-Y757 PolarHBondContact N-O 3.31Å; V321-Y757 PolarHBondContact O-N 3.04Å; I323-Y757 HydrophobicContact CB-CE2 4.43Å; I323-Y757 HydrophobicContact CD1-CD2 4.2Å; I323-Y757 HydrophobicContact CD1-CE2 3.6Å; I323-Y757 HydrophobicContact CG1-CD2 4.2Å; I323-Y757 HydrophobicContact CG1-CE2 3.9Å; I537-Y757 HydrophobicContact CD1-CD1 3.52Å; I537-Y757 HydrophobicContact CD1-CD2 3.96Å; I537-Y757 HydrophobicContact CD1-CE1 3.99Å; I537-Y757 HydrophobicContact CD1-CE2 4.38Å; I537-Y757 HydrophobicContact CD1-CG 3.51Å; I537-Y757 HydrophobicContact CG2-CE1 4.26Å; E723-Y757 WeakPolarHBondContact OE2-CE1 3.22Å; V725-Y757 HydrophobicContact CG2-CE1 4.41Å; L736-Y757 HydrophobicContact CD1-CD1 4.42Å; V738-Y757 HydrophobicContact CG2-CD1 3.6Å; V738-Y757 HydrophobicContact CG2-CE1 3.8Å; V738-Y757 HydrophobicContact CG2-CG 4.48Å; K755-Y757 HydrophobicContact CD-CE2 4.08Å; K755-Y757 WeakPolarHBondContact CD-OH 3.47Å; K755-Y757 VanDerWaalsContact CE-OH 3.27Å; K755-Y757 WeakPolarHBondContact CE-OH 3.4Å; K755-Y757 HydrophobicContact CG-CE2 4.09Å; K755-Y757 PolarHBondContact NZ-OH 2.99Å |
| 758 | R | 91.9 | Very high | 92.3 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139 | 173.2 | 76.6 | -175.3 | -164 | -121.7 | 2 | 109.8 | P320 E720 A737 D739 D760 | P320-R758 HydrophobicContact CB-CB 4.09Å; E720-R758 IonicContact OE1-CZ 3.22Å; E720-R758 VanDerWaalsContact OE1-CZ 3.27Å; E720-R758 IonicContact OE1-NH1 2.84Å; E720-R758 PolarHBondContact OE1-NH1 3.23Å; E720-R758 IonicContact OE1-NH2 2.75Å; E720-R758 PolarHBondContact OE1-NH2 2.98Å; A737-R758 HydrophobicContact CB-CG 3.55Å; A737-R758 PolarHBondContact N-O 3.25Å; A737-R758 PolarHBondContact O-N 3.05Å; D739-R758 IonicContact OD1-NH1 2.91Å; D739-R758 PolarHBondContact OD1-NH1 3.2Å; D739-R758 IonicContact OD2-CZ 3.63Å; D739-R758 IonicContact OD2-NH1 3.44Å; D739-R758 PolarHBondContact OD2-NH1 3.29Å; R758-D760 IonicContact CZ-OD2 2.75Å; R758-D760 IonicContact NE-OD2 3.4Å; R758-D760 PolarHBondContact NE-OD2 3.3Å; R758-D760 IonicContact NH2-OD2 3.89Å; R758-D760 PolarHBondContact NH2-OD2 2.89Å |
| 759 | S | 89.3 | Confident | 92 | Very high | 102 Ų | 102 | 56.8 Ų | 56.8 | 71% | 0.713 | 31% | 0.306 | S | S | * | . | trans | -67.4 | 139.2 | 158.8 | -57.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 760 | D | 88.5 | Confident | 91.6 | Very high | 41 Ų | 41 | 60.2 Ų | 60.2 | 22% | 0.219 | 32% | 0.321 | C | S | . | . | trans | -141.5 | 164.6 | 176.4 | -145.9 | -35.4 | 0 | 0 | 0 | 107.8 | A737 R758 N764 L765 | A737-D760 HydrophobicContact CB-CB 3.92Å; R758-D760 IonicContact CZ-OD2 2.75Å; R758-D760 IonicContact NE-OD2 3.4Å; R758-D760 PolarHBondContact NE-OD2 3.3Å; R758-D760 IonicContact NH2-OD2 3.89Å; R758-D760 PolarHBondContact NH2-OD2 2.89Å; D760-N764 HydrophobicContact CB-CB 4.45Å; D760-N764 WeakPolarHBondContact OD1-CB 3.43Å; D760-N764 PolarHBondContact OD1-ND2 3.42Å; D760-L765 HydrophobicContact CB-CD2 3.93Å; D760-L765 HydrophobicContact CB-CG 4.07Å; D760-L765 WeakPolarHBondContact O-CD1 3.42Å | ||
| 761 | T | 89.6 | Confident | 90.8 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 34% | 0.344 | 31% | 0.31 | S | S | . | . | trans | -71.6 | 150.7 | -178.6 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | E763 N764 L765 | T761-E763 VanDerWaalsContact CB-CD 3.44Å; T761-E763 WeakPolarHBondContact CB-OE1 3.33Å; T761-E763 WeakPolarHBondContact CB-OE2 3.06Å; T761-E763 PolarHBondContact O-N 3.04Å; T761-E763 PolarHBondContact OG1-OE1 3.02Å; T761-E763 PolarHBondContact OG1-OE2 3.09Å; T761-N764 WeakPolarHBondContact O-CB 3.28Å; T761-N764 PolarHBondContact O-N 3.11Å; T761-N764 PolarHBondContact OG1-ND2 2.79Å; T761-L765 WeakPolarHBondContact O-CG 3.34Å; T761-L765 PolarHBondContact O-N 3.09Å | ||
| 762 | P | 86.1 | Confident | 89.1 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 62% | 0.617 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.2 | -34.2 | -174.7 | 22.3 | -32.9 | 0 | 0 | 0 | 112.9 | L765 V766 | P762-L765 PolarHBondContact O-N 3.32Å; P762-V766 VanDerWaalsContact O-CG2 3.28Å; P762-V766 WeakPolarHBondContact O-CG2 3.34Å; P762-V766 PolarHBondContact O-N 3.38Å |
| 763 | E | 89 | Confident | 87.3 | Confident | 114 Ų | 114 | 62 Ų | 62 | 53% | 0.533 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.5 | -37.5 | 173.7 | 67.4 | -75.6 | 177 | 0 | 0 | 112.9 | T761 N767 | T761-E763 VanDerWaalsContact CB-CD 3.44Å; T761-E763 WeakPolarHBondContact CB-OE1 3.33Å; T761-E763 WeakPolarHBondContact CB-OE2 3.06Å; T761-E763 PolarHBondContact O-N 3.04Å; T761-E763 PolarHBondContact OG1-OE1 3.02Å; T761-E763 PolarHBondContact OG1-OE2 3.09Å; E763-N767 PolarHBondContact O-N 3.07Å; E763-N767 PolarHBondContact O-ND2 2.83Å; E763-N767 VanDerWaalsContact O-ND2 3.08Å |
| 764 | N | 89.6 | Confident | 84.3 | Confident | 72 Ų | 72 | 70.1 Ų | 70.1 | 39% | 0.385 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 172.7 | -75.3 | -13.9 | 0 | 0 | 0 | 111.6 | D760 T761 V766 N767 L768 | D760-N764 HydrophobicContact CB-CB 4.45Å; D760-N764 WeakPolarHBondContact OD1-CB 3.43Å; D760-N764 PolarHBondContact OD1-ND2 3.42Å; T761-N764 WeakPolarHBondContact O-CB 3.28Å; T761-N764 PolarHBondContact O-N 3.11Å; T761-N764 PolarHBondContact OG1-ND2 2.79Å; N764-V766 VanDerWaalsContact C-N 3.3Å; N764-V766 PolarHBondContact O-N 3.37Å; N764-N767 WeakPolarHBondContact O-CB 3.36Å; N764-N767 PolarHBondContact O-N 2.85Å; N764-N767 VanDerWaalsContact O-N 3.11Å; N764-L768 PolarHBondContact O-N 3.49Å |
| 765 | L | 90.3 | Very high | 83.7 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 7% | 0.073 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 176.5 | -68 | 169.9 | 0 | 0 | 0 | 111.8 | R722 D735 A737 D760 T761 P762 N767 L768 | R722-L765 HydrophobicContact CB-CD2 4.48Å; R722-L765 WeakPolarHBondContact CD-O 2.97Å; R722-L765 PolarHBondContact NE-O 2.98Å; D735-L765 HydrophobicContact CB-CD1 4.05Å; D735-L765 VanDerWaalsContact O-CD1 3.31Å; D735-L765 WeakPolarHBondContact O-CD1 3.47Å; A737-L765 HydrophobicContact CB-CD2 3.72Å; A737-L765 VanDerWaalsContact N-CD2 3.29Å; D760-L765 HydrophobicContact CB-CD2 3.93Å; D760-L765 HydrophobicContact CB-CG 4.07Å; D760-L765 WeakPolarHBondContact O-CD1 3.42Å; T761-L765 WeakPolarHBondContact O-CG 3.34Å; T761-L765 PolarHBondContact O-N 3.09Å; P762-L765 PolarHBondContact O-N 3.32Å; L765-N767 VanDerWaalsContact C-N 3.27Å; L765-N767 PolarHBondContact O-N 3.32Å; L765-L768 PolarHBondContact O-N 3.42Å; L765-L768 VanDerWaalsContact O-N 3.11Å |
| 766 | V | 89.1 | Confident | 83.2 | Confident | 91 Ų | 91 | 74.2 Ų | 74.2 | 55% | 0.552 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.5 | -31.9 | 176.1 | 166.9 | 0 | 0 | 0 | 0 | 112.5 | R722 P762 N764 L768 | R722-V766 PolarHBondContact NH2-O 3.27Å; P762-V766 VanDerWaalsContact O-CG2 3.28Å; P762-V766 WeakPolarHBondContact O-CG2 3.34Å; P762-V766 PolarHBondContact O-N 3.38Å; N764-V766 VanDerWaalsContact C-N 3.3Å; N764-V766 PolarHBondContact O-N 3.37Å; V766-L768 VanDerWaalsContact C-N 3.27Å; V766-L768 PolarHBondContact O-N 3.17Å |
| 767 | N | 91.2 | Very high | 82.6 | Confident | 130 Ų | 130 | 78.1 Ų | 78.1 | 70% | 0.695 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -74.7 | -13.1 | 175.5 | -64.8 | -35.2 | 0 | 0 | 0 | 113.7 | E763 N764 L765 | E763-N767 PolarHBondContact O-N 3.07Å; E763-N767 PolarHBondContact O-ND2 2.83Å; E763-N767 VanDerWaalsContact O-ND2 3.08Å; N764-N767 WeakPolarHBondContact O-CB 3.36Å; N764-N767 PolarHBondContact O-N 2.85Å; N764-N767 VanDerWaalsContact O-N 3.11Å; L765-N767 VanDerWaalsContact C-N 3.27Å; L765-N767 PolarHBondContact O-N 3.32Å |
| 768 | L | 91.7 | Very high | 81.9 | Confident | 15 Ų | 15 | 81.9 Ų | 81.9 | 8% | 0.079 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -86.4 | 143.7 | 175.4 | -60.8 | -170.7 | 0 | 0 | 0 | 111.8 | E720 R722 A737 N764 L765 V766 L770 | E720-L768 HydrophobicContact CG-CD1 4.11Å; E720-L768 HydrophobicContact CG-CD2 3.8Å; R722-L768 HydrophobicContact CB-CB 4.21Å; R722-L768 HydrophobicContact CG-CB 4.42Å; R722-L768 PolarHBondContact NE-O 3.3Å; R722-L768 PolarHBondContact NH2-O 3.36Å; A737-L768 HydrophobicContact CB-CD1 3.65Å; N764-L768 PolarHBondContact O-N 3.49Å; L765-L768 PolarHBondContact O-N 3.42Å; L765-L768 VanDerWaalsContact O-N 3.11Å; V766-L768 VanDerWaalsContact C-N 3.27Å; V766-L768 PolarHBondContact O-N 3.17Å; L768-L770 PolarHBondContact O-N 2.98Å |
| 769 | P | 90.5 | Very high | 81.3 | Confident | 64 Ų | 64 | 83.6 Ų | 83.6 | 42% | 0.416 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 136.8 | 172.1 | 26.8 | -32.6 | 0 | 0 | 0 | 109.8 | N685 H721 R722 | N685-P769 WeakPolarHBondContact ND2-CG 3.48Å; H721-P769 WeakPolarHBondContact CA-O 3.16Å; H721-P769 HydrophobicContact CB-CG 4.17Å; H721-P769 WeakPolarHBondContact CB-O 3.49Å; R722-P769 PolarHBondContact N-O 3.3Å |
| 770 | L | 86.4 | Confident | 80.8 | Confident | 83 Ų | 83 | 82.4 Ų | 82.4 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | B | Isolated β-bridge | trans | -74.2 | 125.4 | 173.6 | 179.6 | 62.9 | 0 | 0 | 0 | 109.3 | R722 L768 S772 | R722-L770 HydrophobicContact CG-CB 4.27Å; R722-L770 HydrophobicContact CG-CD1 3.97Å; L768-L770 PolarHBondContact O-N 2.98Å; L770-S772 PolarHBondContact O-N 3.23Å; L770-S772 VanDerWaalsContact O-N 3.1Å |
| 771 | H | 79.3 | Confident | 80.2 | Confident | 69 Ų | 69 | 85.4 Ų | 85.4 | 32% | 0.319 | 49% | 0.485 | S | S | . | . | trans | -75.7 | 100.3 | 177.2 | -164.9 | -100 | 0 | 0 | 0 | 110.4 | H721 R722 S773 | H721-H771 HydrophobicContact CB-CB 4.29Å; H721-H771 AromaticContact CD2-CG 3.97Å; H721-H771 AromaticContact CE1-CD2 3.43Å; H721-H771 PolarHBondContact CE1-CD2 3.37Å; H721-H771 VanDerWaalsContact CE1-CD2 3.43Å; H721-H771 AromaticContact CE1-CG 3.88Å; H721-H771 AromaticContact CE1-NE2 3.93Å; H721-H771 AromaticContact CG-CD2 3.95Å; H721-H771 AromaticContact ND1-CD2 3.52Å; H721-H771 AromaticContact NE2-CD2 3.83Å; H721-H771 AromaticContact NE2-CG 3.8Å; R722-H771 PolarHBondContact O-N 3.07Å; H771-S773 PolarHBondContact CE1-OG 2.85Å; H771-S773 VanDerWaalsContact CE1-OG 3.25Å; H771-S773 PolarHBondContact ND1-OG 2.98Å; H771-S773 PolarHBondContact O-N 3.3Å | ||
| 772 | S | 60.8 | Low | 79.5 | Confident | 97 Ų | 97 | 87.6 Ų | 87.6 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | trans | -75.4 | 65.7 | -179.9 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | L770 I774 | L770-S772 PolarHBondContact O-N 3.23Å; L770-S772 VanDerWaalsContact O-N 3.1Å; S772-I774 PolarHBondContact O-N 3.06Å; S772-I774 VanDerWaalsContact O-N 3.08Å | ||
| 773 | S | 57.3 | Low | 79 | Confident | 81 Ų | 81 | 87 Ų | 87 | 57% | 0.566 | 49% | 0.486 | S | S | * | . | trans | -71.5 | 94.9 | 163.2 | -66.2 | 0 | 0 | 0 | 0 | 109.7 | H771 | H771-S773 PolarHBondContact CE1-OG 2.85Å; H771-S773 VanDerWaalsContact CE1-OG 3.25Å; H771-S773 PolarHBondContact ND1-OG 2.98Å; H771-S773 PolarHBondContact O-N 3.3Å | ||
| 774 | I | 32.5 | Very low | 78.1 | Confident | 214 Ų | 214 | 84.5 Ų | 84.5 | 100% | 1.097 | 48% | 0.481 | S | S | * | . | trans | -81.7 | 0 | 164 | -57.4 | 178.9 | 0 | 0 | 0 | 107.8 | S772 | S772-I774 PolarHBondContact O-N 3.06Å; S772-I774 VanDerWaalsContact O-N 3.08Å |
Retrieved 774 of 774 residues in 219.5 ms
(Link to these results)