| 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 | 37.7 | Very low | 50.5 | Low | 248 Ų | 248 | 140.6 Ų | 140.6 | 100% | 1.222 | 76% | 0.761 | S | S | * | * | 0 | 151.7 | 0 | -74.5 | 169.8 | 168.5 | 0 | 0 | 107.7 | |||||
| 2 | A | 38.2 | Very low | 51.4 | Low | 98 Ų | 98 | 139.2 Ų | 139.2 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 158 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 3 | T | 45.6 | Very low | 52.2 | Low | 136 Ų | 136 | 138.5 Ų | 138.5 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 134.5 | 165.8 | 43 | 0 | 0 | 0 | 0 | 110 | ||
| 4 | V | 47.8 | Very low | 53 | Low | 145 Ų | 145 | 137.9 Ų | 137.9 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 125.8 | 163 | 176.8 | 0 | 0 | 0 | 0 | 107.3 | ||
| 5 | E | 47.9 | Very low | 53.5 | Low | 170 Ų | 170 | 134.5 Ų | 134.5 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 153.3 | 178.5 | -158.1 | 156.1 | -177.1 | 0 | 0 | 109.8 | ||
| 6 | N | 50.4 | Low | 54.1 | Low | 151 Ų | 151 | 133.7 Ų | 133.7 | 81% | 0.807 | 71% | 0.712 | S | S | * | * | trans | -96.8 | 100.8 | -170.8 | -170.7 | 59.6 | 0 | 0 | 0 | 110.1 | K8 | N6-K8 PolarHBondContact O-N 3.32Š| ||
| 7 | D | 53.2 | Low | 54.5 | Low | 114 Ų | 114 | 130.9 Ų | 130.9 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | trans | -58.9 | 89.7 | -171.8 | -70.4 | -31.2 | 0 | 0 | 0 | 113.3 | E9 L10 | D7-E9 PolarHBondContact O-N 3.45Å; D7-L10 HydrophobicContact CB-CD1 3.91Å; D7-L10 HydrophobicContact CB-CG 4.07Å; D7-L10 PolarHBondContact O-N 2.81Å | ||
| 8 | K | 59.1 | Low | 54.8 | Low | 159 Ų | 159 | 128.7 Ų | 128.7 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -20 | -175.7 | -159.1 | 171.8 | -177.6 | -178.6 | 0 | 113.4 | N6 L10 S11 | N6-K8 PolarHBondContact O-N 3.32Å; K8-L10 VanDerWaalsContact C-N 3.26Å; K8-L10 PolarHBondContact O-N 3.14Å; K8-S11 PolarHBondContact O-N 3.45Å; K8-S11 PolarHBondContact O-OG 3.44Å |
| 9 | E | 58.2 | Low | 55.1 | Low | 161 Ų | 161 | 128.8 Ų | 128.8 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -68.1 | -26 | 175.3 | -56 | -174.7 | 167.6 | 0 | 0 | 112 | D7 D12 L13 | D7-E9 PolarHBondContact O-N 3.45Å; E9-D12 PolarHBondContact O-N 3.34Å; E9-L13 PolarHBondContact O-N 3.33Å |
| 10 | L | 58.1 | Low | 55.2 | Low | 103 Ų | 103 | 130.3 Ų | 130.3 | 54% | 0.539 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -74 | -27 | 175.6 | -63.8 | 178.2 | 0 | 0 | 0 | 112.9 | D7 K8 L14 | D7-L10 HydrophobicContact CB-CD1 3.91Å; D7-L10 HydrophobicContact CB-CG 4.07Å; D7-L10 PolarHBondContact O-N 2.81Å; K8-L10 VanDerWaalsContact C-N 3.26Å; K8-L10 PolarHBondContact O-N 3.14Å; L10-L14 WeakPolarHBondContact O-CG 3.46Å |
| 11 | S | 59.2 | Low | 55.5 | Low | 62 Ų | 62 | 132.8 Ų | 132.8 | 43% | 0.434 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -70.3 | -40.5 | 172.1 | 24.2 | 0 | 0 | 0 | 0 | 112.1 | K8 L13 L14 D15 | K8-S11 PolarHBondContact O-N 3.45Å; K8-S11 PolarHBondContact O-OG 3.44Å; S11-L13 VanDerWaalsContact C-N 3.31Å; S11-L13 PolarHBondContact O-N 3.04Å; S11-L14 CarbonylContact O-C 3.56Å; S11-L14 PolarHBondContact O-N 3.43Å; S11-D15 PolarHBondContact O-N 3.1Å; S11-D15 VanDerWaalsContact O-N 3.12Å |
| 12 | D | 61.7 | Low | 56.5 | Low | 123 Ų | 123 | 126 Ų | 126 | 66% | 0.658 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70.9 | -29.6 | -177.3 | -65.1 | 5.6 | 0 | 0 | 0 | 111.5 | E9 L14 | E9-D12 PolarHBondContact O-N 3.34Å; D12-L14 PolarHBondContact O-N 3.02Å |
| 13 | L | 62 | Low | 56.9 | Low | 130 Ų | 130 | 127.5 Ų | 127.5 | 68% | 0.681 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -12.9 | 168.7 | -85.2 | 163.6 | 0 | 0 | 0 | 114.5 | E9 S11 | E9-L13 PolarHBondContact O-N 3.33Å; S11-L13 VanDerWaalsContact C-N 3.31Å; S11-L13 PolarHBondContact O-N 3.04Å |
| 14 | L | 63.4 | Low | 57.1 | Low | 131 Ų | 131 | 127.4 Ų | 127.4 | 69% | 0.686 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -6 | -179.5 | -66.4 | 174.1 | 0 | 0 | 0 | 113.2 | L10 S11 D12 F16 | L10-L14 WeakPolarHBondContact O-CG 3.46Å; S11-L14 CarbonylContact O-C 3.56Å; S11-L14 PolarHBondContact O-N 3.43Å; D12-L14 PolarHBondContact O-N 3.02Å; L14-F16 VanDerWaalsContact O-CD2 3.28Å; L14-F16 WeakPolarHBondContact O-CD2 3.47Å; L14-F16 PolarHBondContact O-N 3.33Å |
| 15 | D | 60.2 | Low | 56.9 | Low | 87 Ų | 87 | 126.1 Ų | 126.1 | 47% | 0.465 | 68% | 0.684 | S | S | . | * | trans | -87.6 | 80.9 | 176.8 | -169.1 | 13.6 | 0 | 0 | 0 | 112.6 | S11 S17 | S11-D15 PolarHBondContact O-N 3.1Å; S11-D15 VanDerWaalsContact O-N 3.12Å; D15-S17 PolarHBondContact O-N 3.44Å; D15-S17 VanDerWaalsContact O-N 3.09Å; D15-S17 WeakPolarHBondContact OD1-CB 3.39Å; D15-S17 PolarHBondContact OD1-N 3.43Å; D15-S17 VanDerWaalsContact OD1-N 3.07Å; D15-S17 PolarHBondContact OD1-OG 3.31Å | ||
| 16 | F | 63.2 | Low | 56.3 | Low | 121 Ų | 121 | 125.6 Ų | 125.6 | 53% | 0.531 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -64.7 | -7.9 | 174.2 | -67.9 | -94.4 | 0 | 0 | 0 | 113.7 | L14 A18 M19 | L14-F16 VanDerWaalsContact O-CD2 3.28Å; L14-F16 WeakPolarHBondContact O-CD2 3.47Å; L14-F16 PolarHBondContact O-N 3.33Å; F16-A18 PolarHBondContact O-N 3.04Å; F16-M19 HydrophobicContact CD1-CE 3.41Å; F16-M19 VanDerWaalsContact CD1-CE 3.41Å; F16-M19 HydrophobicContact CE1-CE 3.77Å; F16-M19 HydrophobicContact CG-CE 4.26Å; F16-M19 PolarHBondContact O-N 3.26Å |
| 17 | S | 60.3 | Low | 55.8 | Low | 87 Ų | 87 | 121.2 Ų | 121.2 | 61% | 0.608 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -62.1 | -29.3 | -178.4 | -45.5 | 0 | 0 | 0 | 0 | 112.8 | D15 M19 | D15-S17 PolarHBondContact O-N 3.44Å; D15-S17 VanDerWaalsContact O-N 3.09Å; D15-S17 WeakPolarHBondContact OD1-CB 3.39Å; D15-S17 PolarHBondContact OD1-N 3.43Å; D15-S17 VanDerWaalsContact OD1-N 3.07Å; D15-S17 PolarHBondContact OD1-OG 3.31Å; S17-M19 VanDerWaalsContact C-N 3.3Å; S17-M19 PolarHBondContact O-N 3.02Å |
| 18 | A | 59.7 | Low | 55.1 | Low | 91 Ų | 91 | 125.4 Ų | 125.4 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -73.8 | -16.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | F16 | F16-A18 PolarHBondContact O-N 3.04Š|
| 19 | M | 61.7 | Low | 54.4 | Low | 130 Ų | 130 | 125.1 Ų | 125.1 | 64% | 0.64 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -12.3 | -179.9 | -69.4 | -167.9 | -73.7 | 0 | 0 | 113.9 | F16 S17 | F16-M19 HydrophobicContact CD1-CE 3.41Å; F16-M19 VanDerWaalsContact CD1-CE 3.41Å; F16-M19 HydrophobicContact CE1-CE 3.77Å; F16-M19 HydrophobicContact CG-CE 4.26Å; F16-M19 PolarHBondContact O-N 3.26Å; S17-M19 VanDerWaalsContact C-N 3.3Å; S17-M19 PolarHBondContact O-N 3.02Å |
| 20 | F | 56.6 | Low | 53.3 | Low | 158 Ų | 158 | 120.8 Ų | 120.8 | 69% | 0.693 | 69% | 0.694 | S | S | * | * | trans | -134.6 | 81.9 | 179.4 | -66.3 | -80.2 | 0 | 0 | 0 | 110.9 | P22 | F20-P22 WeakPolarHBondContact O-CD 3.2Š| ||
| 21 | E | 61.2 | Low | 52.9 | Low | 184 Ų | 184 | 122 Ų | 122 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | trans | -57.2 | 120.3 | 163 | -74.9 | -167.1 | 129.1 | 0 | 0 | 109 | ||||
| 22 | P | 58.3 | Low | 51.7 | Low | 104 Ų | 104 | 125.2 Ų | 125.2 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | trans | -64.8 | 139.4 | 171.9 | 27.9 | -33.3 | 0 | 0 | 0 | 108.6 | F20 V24 | F20-P22 WeakPolarHBondContact O-CD 3.2Å; P22-V24 PolarHBondContact O-N 3.17Å | ||
| 23 | P | 47.2 | Very low | 50.4 | Low | 131 Ų | 131 | 125.7 Ų | 125.7 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | trans | -64.6 | 100.3 | -171.6 | 24.9 | -34.5 | 0 | 0 | 0 | 111.2 | S25 | P23-S25 PolarHBondContact O-N 3.43Å; P23-S25 VanDerWaalsContact O-N 3.15Å | ||
| 24 | V | 50.3 | Low | 49.2 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -59.8 | 117 | 177.3 | -73.5 | 0 | 0 | 0 | 0 | 109.9 | P22 N26 | P22-V24 PolarHBondContact O-N 3.17Å; V24-N26 PolarHBondContact O-N 2.86Å; V24-N26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | S | 43.2 | Very low | 47.5 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -65.9 | 115.5 | 176.4 | 49.4 | 0 | 0 | 0 | 0 | 108.8 | P23 G27 | P23-S25 PolarHBondContact O-N 3.43Å; P23-S25 VanDerWaalsContact O-N 3.15Å; S25-G27 PolarHBondContact O-N 3.04Å | ||
| 26 | N | 35.1 | Very low | 46.1 | Very low | 160 Ų | 160 | 127 Ų | 127 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -74.4 | 66.4 | -171.9 | -168.7 | 4.9 | 0 | 0 | 0 | 112.1 | V24 | V24-N26 PolarHBondContact O-N 2.86Å; V24-N26 VanDerWaalsContact O-N 3.14Å | ||
| 27 | G | 39.1 | Very low | 44.6 | Very low | 58 Ų | 58 | 126.1 Ų | 126.1 | 60% | 0.598 | 77% | 0.771 | S | S | * | * | trans | -76.1 | 122.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | S25 N29 | S25-G27 PolarHBondContact O-N 3.04Å; G27-N29 PolarHBondContact O-N 3.21Å | ||
| 28 | K | 39.9 | Very low | 43.4 | Very low | 202 Ų | 202 | 129.9 Ų | 129.9 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -103.9 | 79.7 | -165.2 | -170.2 | 170.3 | -179.4 | 170.3 | 0 | 112.8 | ||||
| 29 | N | 42.8 | Very low | 42.2 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -148.8 | 155.1 | 172 | 38.2 | -51.7 | 0 | 0 | 0 | 112 | G27 | G27-N29 PolarHBondContact O-N 3.21Š| ||
| 30 | G | 36.2 | Very low | 40.6 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -85 | -179.2 | -160.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 31 | P | 50 | Low | 39.5 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -100.9 | 146.2 | -160.8 | 37.1 | -34.4 | 0 | 0 | 0 | 115.5 | ||||
| 32 | T | 34 | Very low | 38.9 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -156.9 | 151.9 | 157.8 | -1.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 33 | T | 34.3 | Very low | 37.8 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | 63.5 | 114.7 | 155.1 | 47.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 34 | L | 35.7 | Very low | 37.3 | Very low | 175 Ų | 175 | 125.7 Ų | 125.7 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -54.6 | 153.6 | 155.8 | -53.2 | 155.6 | 0 | 0 | 0 | 113.2 | ||||
| 35 | A | 29.5 | Very low | 36.7 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | -179 | 161.5 | 127.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 36 | S | 29.5 | Very low | 36.4 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -11.4 | 131.7 | 162.2 | 51.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 37 | S | 31.9 | Very low | 36.6 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 69.6 | 121.5 | 53 | -164.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 38 | Q | 36.1 | Very low | 36.3 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | trans | 88.4 | 143 | 149.1 | -121.3 | 172.2 | -15.9 | 0 | 0 | 122.1 | ||||
| 39 | F | 32.8 | Very low | 35.7 | Very low | 196 Ų | 196 | 128.5 Ų | 128.5 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | 74.2 | 122.8 | 164 | -88.2 | -83.5 | 0 | 0 | 0 | 122 | ||||
| 40 | G | 29.7 | Very low | 35.1 | Very low | 74 Ų | 74 | 127.3 Ų | 127.3 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | 123 | 92.3 | 135.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 41 | G | 32.2 | Very low | 35.2 | Very low | 74 Ų | 74 | 129.3 Ų | 129.3 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | -83.2 | 176.4 | 138.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 42 | P | 48.4 | Very low | 35 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | cis | -108 | -175 | 21 | 9.5 | 15.3 | 0 | 0 | 0 | 112.4 | ||||
| 43 | G | 36.1 | Very low | 34.9 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | 114.6 | 90.6 | 11.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 44 | V | 36.7 | Very low | 34.9 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 95% | 0.952 | 79% | 0.79 | S | S | * | * | trans | -158.5 | 160.2 | 173.3 | 57.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 45 | D | 38.3 | Very low | 35.1 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | -122.9 | 173.4 | -149 | -156.3 | -21.2 | 0 | 0 | 0 | 113.4 | ||||
| 46 | E | 35.6 | Very low | 35.2 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 61% | 0.612 | 79% | 0.789 | S | S | * | * | trans | 72.1 | 146.4 | 161.8 | -57.4 | -157.8 | 140.3 | 0 | 0 | 118.1 | ||||
| 47 | R | 40.9 | Very low | 35.4 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 63% | 0.63 | 80% | 0.796 | S | S | * | * | cis | -161.9 | 141.9 | 0.5 | -116.5 | 168 | -153.2 | -118.1 | -4.6 | 111.6 | ||||
| 48 | R | 30.8 | Very low | 35.3 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | 45.1 | 134.9 | 142.5 | -58 | 170 | -165.1 | -108.7 | -1.5 | 122.7 | ||||
| 49 | G | 29 | Very low | 35.1 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | 154.1 | 87.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 50 | S | 30.5 | Very low | 35.1 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | 91.8 | 131.3 | 86.9 | -68.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 51 | S | 37.3 | Very low | 35.2 | Very low | 112 Ų | 112 | 135 Ų | 135 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -64.9 | 169.4 | -177.3 | -22.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 52 | P | 46.3 | Very low | 35.1 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | -151.6 | 157.5 | 52.8 | 37.2 | -14 | 0 | 0 | 0 | 121 | |||||
| 53 | W | 32.3 | Very low | 34 | Very low | 257 Ų | 257 | 138.6 Ų | 138.6 | 97% | 0.973 | 81% | 0.805 | S | S | * | * | trans | 26 | 129.2 | 146.2 | -61.1 | 89.1 | 0 | 0 | 0 | 123.8 | ||||
| 54 | G | 33.3 | Very low | 33.7 | Very low | 74 Ų | 74 | 142.6 Ų | 142.6 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -171.9 | 140.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 55 | P | 40.8 | Very low | 33.5 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | trans | -111.2 | 161.8 | -164.5 | 40.5 | -35.2 | 0 | 0 | 0 | 117.3 | ||||
| 56 | G | 30.3 | Very low | 33.1 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 114.1 | 143.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 57 | E | 33.8 | Very low | 32.8 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | cis | -146.2 | 153.3 | -4.4 | -59.5 | 176.2 | 117.4 | 0 | 0 | 108.1 | ||||
| 58 | Q | 31.1 | Very low | 32.2 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -142.8 | 122.3 | 165.8 | -73.7 | -162.1 | 21 | 0 | 0 | 112.8 | ||||
| 59 | T | 31 | Very low | 32 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -129.2 | 118.1 | 163.1 | 54.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 60 | S | 31.7 | Very low | 32.1 | Very low | 117 Ų | 117 | 146 Ų | 146 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -71.1 | 155.1 | 178.7 | -41.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 61 | P | 33.7 | Very low | 31.9 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | trans | -123.8 | 137 | 132.1 | 34.7 | -28.6 | 0 | 0 | 0 | 111.2 | ||||
| 62 | S | 28.5 | Very low | 31.6 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -88.7 | 138.1 | 175.1 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 63 | F | 25.8 | Very low | 30.9 | Very low | 169 Ų | 169 | 150 Ų | 150 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | -107.3 | 132.3 | 173.4 | -174.1 | -94.6 | 0 | 0 | 0 | 108.8 | Q65 | F63-Q65 HydrophobicContact CE1-CB 3.74Å; F63-Q65 HydrophobicContact CZ-CB 4.18Å | ||
| 64 | N | 30.1 | Very low | 30.7 | Very low | 158 Ų | 158 | 149 Ų | 149 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | -146.4 | 122.2 | 171.6 | -130.6 | -47.5 | 0 | 0 | 0 | 109.8 | ||||
| 65 | Q | 32.9 | Very low | 30.5 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 66% | 0.664 | 81% | 0.814 | S | S | * | * | trans | -114.4 | 112.5 | -171.4 | 177.9 | 177.2 | 0.2 | 0 | 0 | 109.5 | F63 | F63-Q65 HydrophobicContact CE1-CB 3.74Å; F63-Q65 HydrophobicContact CZ-CB 4.18Å | ||
| 66 | G | 28.8 | Very low | 29.9 | Very low | 71 Ų | 71 | 151 Ų | 151 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 139.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 67 | R | 30.7 | Very low | 30.1 | Very low | 243 Ų | 243 | 156.3 Ų | 156.3 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 145.1 | 156.1 | -69.3 | -166.8 | -168.8 | -104.7 | 5.9 | 109.4 | ||
| 68 | V | 27.3 | Very low | 29.9 | Very low | 132 Ų | 132 | 155.8 Ų | 155.8 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 151.6 | 167.9 | 173.5 | 0 | 0 | 0 | 0 | 107.8 | ||
| 69 | F | 27.6 | Very low | 30.1 | Very low | 203 Ų | 203 | 151.7 Ų | 151.7 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -124 | 159.3 | 156.6 | -147.2 | -93.9 | 0 | 0 | 0 | 109.7 | ||||
| 70 | E | 29.3 | Very low | 30.3 | Very low | 169 Ų | 169 | 153 Ų | 153 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -125.8 | 135.4 | -161.3 | 170.6 | -172.8 | 168.5 | 0 | 0 | 109.7 | ||||
| 71 | E | 27.8 | Very low | 30.1 | Very low | 193 Ų | 193 | 152.1 Ų | 152.1 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -158.1 | 142.2 | 164.7 | -161.1 | 159.2 | -155 | 0 | 0 | 114 | ||||
| 72 | G | 29.5 | Very low | 29.9 | Very low | 71 Ų | 71 | 151.7 Ų | 151.7 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 78.6 | 100 | 136.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 73 | L | 32.2 | Very low | 30.1 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -100 | 133.4 | 143.7 | -88.9 | 78 | 0 | 0 | 0 | 109.2 | ||||
| 74 | Y | 28.5 | Very low | 30.6 | Very low | 235 Ų | 235 | 150.8 Ų | 150.8 | 92% | 0.922 | 81% | 0.806 | S | S | * | * | trans | -144.4 | 158.2 | 142.4 | -130.7 | -93.9 | 0 | 0 | 0 | 109.9 | ||||
| 75 | S | 29.3 | Very low | 30.7 | Very low | 72 Ų | 72 | 149.2 Ų | 149.2 | 50% | 0.503 | 80% | 0.802 | S | S | . | * | trans | -144.9 | 127.7 | -177.1 | 168.5 | 0 | 0 | 0 | 0 | 110.5 | R77 | S75-R77 PolarHBondContact O-NH1 3.2Å; S75-R77 PolarHBondContact OG-NH1 2.85Å | ||
| 76 | E | 27.7 | Very low | 30.9 | Very low | 185 Ų | 185 | 152.3 Ų | 152.3 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -123.7 | 162.2 | 159.6 | -165.6 | 139.4 | -132.7 | 0 | 0 | 109.3 | ||||
| 77 | R | 34.5 | Very low | 31 | Very low | 183 Ų | 183 | 152.2 Ų | 152.2 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | -165 | 100.1 | -151.9 | 48.3 | -169.7 | 163.3 | -75.8 | -19.5 | 110.8 | S75 | S75-R77 PolarHBondContact O-NH1 3.2Å; S75-R77 PolarHBondContact OG-NH1 2.85Å | ||
| 78 | E | 29.9 | Very low | 31.6 | Very low | 181 Ų | 181 | 147.1 Ų | 147.1 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -127.1 | 155.1 | 171 | -146.3 | 82.1 | -110.1 | 0 | 0 | 109.2 | ||||
| 79 | S | 34.8 | Very low | 31.7 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -150 | 160.7 | -179.7 | -74.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 80 | L | 35.1 | Very low | 32.3 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | 102.6 | 137.3 | 161.9 | -54 | 177.1 | 0 | 0 | 0 | 118.8 | ||||
| 81 | A | 28.8 | Very low | 32.4 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | 66.1 | 102 | 142.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 82 | S | 28.7 | Very low | 32.7 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -78.4 | 132.9 | 157.2 | -40.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 83 | T | 32 | Very low | 32.9 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -165.4 | 120.4 | 145.5 | 21.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 84 | P | 36.9 | Very low | 33.1 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -85.1 | 154.7 | 172.2 | 33.7 | -33.3 | 0 | 0 | 0 | 112.5 | ||||
| 85 | V | 33.1 | Very low | 33.3 | Very low | 126 Ų | 126 | 136 Ų | 136 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | trans | -115.6 | 126.2 | -173.2 | 170 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 86 | F | 35.4 | Very low | 33.7 | Very low | 206 Ų | 206 | 144.4 Ų | 144.4 | 90% | 0.904 | 84% | 0.835 | S | S | * | * | trans | 44 | 124.9 | 166.8 | -79.3 | -103.2 | 0 | 0 | 0 | 119.8 | ||||
| 87 | G | 32.6 | Very low | 33.9 | Very low | 69 Ų | 69 | 138.8 Ų | 138.8 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | -104.8 | 174.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 88 | P | 41.9 | Very low | 33.7 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -106.2 | 144.4 | 166.2 | 36.5 | -28.2 | 0 | 0 | 0 | 112 | ||||
| 89 | G | 31.1 | Very low | 33.8 | Very low | 75 Ų | 75 | 137.8 Ų | 137.8 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | -117 | 162.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 90 | I | 39.1 | Very low | 33.6 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 92% | 0.923 | 83% | 0.833 | S | S | * | * | trans | -136.1 | 155.7 | 168.1 | 53.3 | 171.7 | 0 | 0 | 0 | 110.8 | ||||
| 91 | A | 30.9 | Very low | 33.4 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | trans | -90.2 | 146.9 | -159 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 92 | G | 34.4 | Very low | 33.8 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | trans | -139.4 | 32 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 93 | K | 35.1 | Very low | 33.9 | Very low | 206 Ų | 206 | 137.2 Ų | 137.2 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | trans | 24.9 | 124.7 | 154.7 | 50 | -168 | 165.1 | -176.4 | 0 | 120.3 | ||||
| 94 | A | 35.6 | Very low | 33.9 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -91.4 | 167.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 95 | E | 33.1 | Very low | 33.8 | Very low | 202 Ų | 202 | 139.4 Ų | 139.4 | 94% | 0.944 | 82% | 0.82 | S | S | * | * | trans | -146 | 177.9 | 150 | -141.7 | 168.1 | -155.6 | 0 | 0 | 111.5 | ||||
| 96 | R | 36.6 | Very low | 34.6 | Very low | 249 Ų | 249 | 139.2 Ų | 139.2 | 94% | 0.94 | 82% | 0.822 | S | S | * | * | trans | -155.8 | 134.3 | -155.7 | -175.2 | -170.4 | -170 | -144.6 | 5.3 | 116.4 | ||||
| 97 | G | 31.9 | Very low | 34.5 | Very low | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | 128 | 164.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 98 | S | 31.3 | Very low | 34.5 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | cis | -167.2 | 121.4 | -11.7 | -81.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 99 | Y | 30.6 | Very low | 35 | Very low | 230 Ų | 230 | 140.3 Ų | 140.3 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | 41.3 | 119.9 | 145.6 | -79.6 | -76.2 | 0 | 0 | 0 | 125 | ||||
| 100 | S | 31 | Very low | 36.3 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | 90.6 | 131.8 | 116 | -151.8 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 101 | S | 31.6 | Very low | 35.9 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | 120 | 110.1 | 120.4 | -140.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 102 | F | 36.5 | Very low | 35.9 | Very low | 213 Ų | 213 | 141.3 Ų | 141.3 | 93% | 0.934 | 80% | 0.798 | S | S | * | * | trans | 49.1 | 133.4 | 132.8 | -89.2 | -86.9 | 0 | 0 | 0 | 127.4 | ||||
| 103 | G | 30.7 | Very low | 36 | Very low | 62 Ų | 62 | 144.9 Ų | 144.9 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | trans | 164.6 | 152.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 104 | T | 33 | Very low | 36.3 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | cis | -158.2 | -168.1 | -16.6 | -17.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 105 | Q | 34.5 | Very low | 36.3 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -130.2 | 178.4 | 176.7 | -80.7 | -71.1 | -35 | 0 | 0 | 110.4 | ||||
| 106 | P | 49.6 | Very low | 36.8 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | cis | -122.3 | -169.2 | 7 | 44.2 | -29.1 | 0 | 0 | 0 | 114.1 | ||||
| 107 | G | 33.5 | Very low | 36.4 | Very low | 55 Ų | 55 | 132.5 Ų | 132.5 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | cis | 124.5 | 119.4 | -8.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 108 | F | 32.2 | Very low | 37 | Very low | 211 Ų | 211 | 135 Ų | 135 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -155.5 | 171.1 | 170.4 | -113.1 | -83.5 | 0 | 0 | 0 | 111.7 | ||||
| 109 | M | 52.1 | Low | 36.9 | Very low | 168 Ų | 168 | 137 Ų | 137 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | -154.3 | -178 | -164.2 | -78.8 | -73.6 | -175.3 | 0 | 0 | 111.1 | ||||
| 110 | P | 59.7 | Low | 36.9 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | cis | -134 | -173 | -44.3 | 39.4 | -22.5 | 0 | 0 | 0 | 113.1 | ||||
| 111 | S | 29.7 | Very low | 36.9 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 172.4 | 171.4 | 148 | -96.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 112 | E | 31 | Very low | 36.8 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | -159.8 | 128.2 | -89.5 | -113.4 | -165.3 | 175.1 | 0 | 0 | 114.3 | |||||
| 113 | I | 37.3 | Very low | 37.8 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | 53.1 | -177.3 | 153.9 | 23.5 | 174.6 | 0 | 0 | 0 | 120.5 | ||||
| 114 | P | 40.6 | Very low | 38.5 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | cis | -138.6 | 146.7 | -27.1 | 27.7 | -5.9 | 0 | 0 | 0 | 118.7 | ||||
| 115 | L | 36.6 | Very low | 38.3 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | 59.3 | -176.5 | 135.1 | -58.5 | 174.1 | 0 | 0 | 0 | 120.7 | ||||
| 116 | P | 42.5 | Very low | 38.2 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | cis | -129.4 | 177.4 | -19.2 | 29.7 | -8.9 | 0 | 0 | 0 | 115.6 | ||||
| 117 | S | 29.4 | Very low | 37.4 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -166 | 135.6 | 149.5 | -168.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 118 | P | 43.8 | Very low | 37.1 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -128.1 | 168.5 | 171.6 | 40.3 | -27.1 | 0 | 0 | 0 | 115.7 | ||||
| 119 | D | 28.9 | Very low | 36.9 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -83.2 | 166.9 | -170.6 | -53.6 | -92.2 | 0 | 0 | 0 | 117.4 | ||||
| 120 | S | 31.1 | Very low | 35.9 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | 141.7 | 160.1 | 106.8 | 65.3 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 121 | L | 31.5 | Very low | 34.8 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | 87.1 | 131.4 | 160.2 | -51.7 | -175.7 | 0 | 0 | 0 | 122.2 | ||||
| 122 | S | 29.5 | Very low | 35 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -121.1 | 174.4 | 155.7 | -72 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 123 | P | 56.8 | Low | 35.1 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | cis | -134.9 | -131.4 | 22.7 | 32.4 | -4 | 0 | 0 | 0 | 109.9 | ||||
| 124 | P | 45.5 | Very low | 34.6 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | cis | -139.7 | 159.6 | -16.6 | 38.7 | -18.5 | 0 | 0 | 0 | 119.2 | ||||
| 125 | S | 28.7 | Very low | 34 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | 51.8 | 106.3 | 138.5 | 176.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 126 | A | 32.3 | Very low | 33.9 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -149.8 | 138 | 132.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 127 | K | 32.8 | Very low | 33.4 | Very low | 201 Ų | 201 | 143 Ų | 143 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -77.6 | 147.2 | -170.5 | -54.4 | 152.5 | -176 | 171.4 | 0 | 112.4 | ||||
| 128 | S | 27.2 | Very low | 33.5 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | 172.9 | 128.2 | 108.1 | -157.4 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 129 | N | 27.3 | Very low | 32.9 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | 74.3 | 160.5 | 145.3 | -140.8 | 3.9 | 0 | 0 | 0 | 123.2 | ||||
| 130 | S | 31.8 | Very low | 33.3 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | 79.7 | 150.4 | 176.5 | -147.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 131 | Q | 36.5 | Very low | 33.5 | Very low | 168 Ų | 168 | 156.3 Ų | 156.3 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -115.3 | 143.9 | -168 | -57.3 | 168.1 | -6.8 | 0 | 0 | 110.3 | ||||
| 132 | F | 34.3 | Very low | 33.4 | Very low | 212 Ų | 212 | 153.3 Ų | 153.3 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -168.6 | 147 | 133.9 | -91.2 | -58.3 | 0 | 0 | 0 | 109.8 | ||||
| 133 | Y | 32.2 | Very low | 33.6 | Very low | 226 Ų | 226 | 157.6 Ų | 157.6 | 89% | 0.886 | 83% | 0.826 | S | S | * | * | trans | -77.3 | 143.4 | 174.8 | -100.2 | -103.8 | 0 | 0 | 0 | 110.8 | ||||
| 134 | S | 27.9 | Very low | 32.2 | Very low | 116 Ų | 116 | 158.9 Ų | 158.9 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -114 | 165.2 | 161.9 | -164.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 135 | S | 27.6 | Very low | 31.5 | Very low | 109 Ų | 109 | 160.2 Ų | 160.2 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | -70.8 | 150.2 | -156.9 | -160.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 136 | Y | 34.8 | Very low | 31.5 | Very low | 197 Ų | 197 | 160.9 Ų | 160.9 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | -97.4 | 115.6 | 176.4 | 40.2 | -92.2 | 0 | 0 | 0 | 111.6 | ||||
| 137 | E | 31.3 | Very low | 31.5 | Very low | 172 Ų | 172 | 160.4 Ų | 160.4 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -72.4 | 122.6 | 158.9 | -93.5 | -68.3 | 145.4 | 0 | 0 | 109.5 | ||||
| 138 | R | 31.1 | Very low | 31.5 | Very low | 228 Ų | 228 | 158.7 Ų | 158.7 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -146.1 | 95.1 | 168.2 | -173.5 | 174.4 | -74.1 | -132.8 | 1.9 | 111.9 | ||||
| 139 | K | 31.9 | Very low | 31.9 | Very low | 187 Ų | 187 | 158.6 Ų | 158.6 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | -56.7 | 146.1 | 161 | -63.1 | 178.3 | -179.2 | 177.7 | 0 | 110.1 | ||||
| 140 | R | 38.2 | Very low | 32.1 | Very low | 234 Ų | 234 | 159.8 Ų | 159.8 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -116.5 | 133.6 | 175.6 | -168.6 | -174.5 | -62.5 | 164.2 | 0.8 | 108.5 | ||||
| 141 | P | 34.2 | Very low | 32.4 | Very low | 124 Ų | 124 | 160.1 Ų | 160.1 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | trans | -72.1 | 161.2 | 175.9 | 31.6 | -35.6 | 0 | 0 | 0 | 111.2 | ||||
| 142 | A | 29.1 | Very low | 32.5 | Very low | 102 Ų | 102 | 161.7 Ų | 161.7 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -110.2 | 137.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 143 | Q | 33.3 | Very low | 32.7 | Very low | 201 Ų | 201 | 161.9 Ų | 161.9 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | trans | -154.6 | 142.4 | 162.9 | -147.6 | 166.7 | 9.4 | 0 | 0 | 108.8 | ||||
| 144 | D | 27.4 | Very low | 33.3 | Very low | 145 Ų | 145 | 159.1 Ų | 159.1 | 78% | 0.775 | 82% | 0.822 | S | S | * | * | trans | -65.5 | 165.4 | 177.7 | -99.4 | -50.7 | 0 | 0 | 0 | 112.6 | ||||
| 145 | L | 32 | Very low | 34.1 | Very low | 142 Ų | 142 | 164.8 Ų | 164.8 | 74% | 0.743 | 83% | 0.826 | S | S | * | * | cis | -158.6 | -172.7 | 22.7 | -129.5 | 155.5 | 0 | 0 | 0 | 110.9 | ||||
| 146 | T | 29.2 | Very low | 35.2 | Very low | 124 Ų | 124 | 168.9 Ų | 168.9 | 76% | 0.761 | 83% | 0.83 | S | S | * | * | trans | 75.9 | 104.7 | 159.8 | 35.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 147 | A | 32 | Very low | 35.9 | Very low | 94 Ų | 94 | 165.3 Ų | 165.3 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | 82.3 | 114.2 | 120.9 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 148 | N | 31.4 | Very low | 36.6 | Very low | 165 Ų | 165 | 162.6 Ų | 162.6 | 88% | 0.882 | 83% | 0.826 | S | S | * | * | trans | 72 | 156.1 | 143.7 | -90.4 | 0.3 | 0 | 0 | 0 | 122.9 | ||||
| 149 | P | 36.9 | Very low | 37 | Very low | 112 Ų | 112 | 158.1 Ų | 158.1 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -120.6 | 167.2 | -152.1 | 39.6 | -25.1 | 0 | 0 | 0 | 116.3 | ||||
| 150 | Q | 30.5 | Very low | 37.4 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 138.6 | 175.4 | -72.5 | -163.4 | -6.6 | 0 | 0 | 114.2 | ||
| 151 | P | 38.6 | Very low | 37.4 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 144 | 171.3 | 32 | -34.2 | 0 | 0 | 0 | 112.7 | ||
| 152 | K | 39 | Very low | 37.8 | Very low | 201 Ų | 201 | 149.7 Ų | 149.7 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 143.3 | 179.2 | -65 | 173.6 | -177 | 171.3 | 0 | 111.4 | ||
| 153 | K | 38.6 | Very low | 38.1 | Very low | 216 Ų | 216 | 150.4 Ų | 150.4 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 119.8 | -177.7 | -63.6 | 176.8 | -178.6 | 176 | 0 | 111.5 | ||
| 154 | I | 44.6 | Very low | 38.3 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 142.4 | 172.1 | -65.4 | 176.8 | 0 | 0 | 0 | 110.2 | ||
| 155 | R | 44.6 | Very low | 38.5 | Very low | 236 Ų | 236 | 145 Ų | 145 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 132.9 | -177 | -171.3 | 169.6 | 178.7 | 146.1 | -3.5 | 110.9 | ||
| 156 | K | 51 | Low | 38.6 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 137.9 | -178.1 | -161.8 | 90.7 | 74.5 | 171.8 | 0 | 111.3 | ||
| 157 | V | 48.2 | Very low | 38.9 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 75% | 0.745 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 141 | 167.5 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | ||
| 158 | P | 46.1 | Very low | 39 | Very low | 115 Ų | 115 | 150 Ų | 150 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 142.7 | 177.4 | -16.5 | 31.5 | 0 | 0 | 0 | 112.7 | ||
| 159 | P | 39.5 | Very low | 38.8 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 134.3 | 176.6 | 33 | -33.1 | 0 | 0 | 0 | 112.4 | ||
| 160 | G | 40.8 | Very low | 38.7 | Very low | 65 Ų | 65 | 147.2 Ų | 147.2 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | trans | 170.9 | 143 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 161 | L | 38.5 | Very low | 38.8 | Very low | 180 Ų | 180 | 142.4 Ų | 142.4 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | trans | 78.9 | 152.4 | 179.7 | -64.8 | 137.6 | 0 | 0 | 0 | 116 | ||||
| 162 | P | 43.5 | Very low | 38.7 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | trans | -113.8 | -178.9 | -133.1 | 42.3 | -36.9 | 0 | 0 | 0 | 117.3 | ||||
| 163 | S | 34.6 | Very low | 38.6 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -83.4 | 166.4 | -174.8 | -174.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 164 | S | 38.1 | Very low | 38.2 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | 75.1 | 144.8 | 174 | -133.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 165 | V | 30.3 | Very low | 37.7 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 76% | 0.758 | 81% | 0.811 | S | S | * | * | cis | -142.1 | 144.3 | 33.3 | 168.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 166 | Y | 34.1 | Very low | 37.4 | Very low | 215 Ų | 215 | 140.2 Ų | 140.2 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -94.8 | 142.8 | 160.2 | -94.4 | -87.1 | 0 | 0 | 0 | 110.9 | ||||
| 167 | P | 36.3 | Very low | 36.4 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -109.2 | 117.7 | 148.8 | 32.3 | -22.2 | 0 | 0 | 0 | 110.4 | ||||
| 168 | T | 32.8 | Very low | 35.6 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -84.7 | 130.4 | 169.4 | 46.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 169 | A | 29 | Very low | 35.1 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -122.8 | 98 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 170 | T | 33.1 | Very low | 34.7 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | trans | 21.2 | 105.8 | 137.2 | 53 | 0 | 0 | 0 | 0 | 118 | ||||
| 171 | G | 32.9 | Very low | 34.4 | Very low | 84 Ų | 84 | 145.4 Ų | 145.4 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | -114.2 | 103.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 172 | E | 37.6 | Very low | 35.1 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -89.8 | 119.6 | 168.6 | -63.9 | -179.8 | 120.3 | 0 | 0 | 107.9 | ||||
| 173 | D | 36.1 | Very low | 34.4 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -155.1 | 154.9 | 160.4 | -123.9 | -38.9 | 0 | 0 | 0 | 113.5 | ||||
| 174 | F | 30.9 | Very low | 34.4 | Very low | 190 Ų | 190 | 141 Ų | 141 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | -72.6 | 139.3 | -156.8 | -75.4 | -107.4 | 0 | 0 | 0 | 115.6 | ||||
| 175 | N | 34.1 | Very low | 34.2 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -135.1 | 151.4 | 142.9 | -151 | -83.5 | 0 | 0 | 0 | 110.8 | ||||
| 176 | R | 37.1 | Very low | 34.2 | Very low | 203 Ų | 203 | 144.7 Ų | 144.7 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | trans | -112 | 138.5 | -163 | -117.7 | -170.6 | 162.8 | 143.7 | -1.2 | 112.2 | ||||
| 177 | D | 30 | Very low | 34 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 68% | 0.679 | 82% | 0.821 | S | S | * | * | trans | 51 | 88.7 | 144.9 | -53.7 | -36.4 | 0 | 0 | 0 | 118.7 | ||||
| 178 | T | 33.2 | Very low | 33.8 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 93% | 0.933 | 83% | 0.826 | S | S | * | * | -159 | 152.7 | 119.6 | 5.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 179 | T | 35.6 | Very low | 33.9 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | trans | -120 | 142.4 | -166.9 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 180 | C | 30.6 | Very low | 34 | Very low | 125 Ų | 125 | 146 Ų | 146 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | 158.5 | 161.1 | 123.8 | -155.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 181 | F | 34.8 | Very low | 33.8 | Very low | 194 Ų | 194 | 147.2 Ų | 147.2 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -106.9 | -172.8 | -170.8 | -73.4 | -86.7 | 0 | 0 | 0 | 111.7 | ||||
| 182 | P | 51.7 | Low | 34.2 | Very low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | cis | -135.8 | 174.4 | -50 | 37.4 | -21.4 | 0 | 0 | 0 | 115.3 | ||||
| 183 | A | 29.8 | Very low | 34 | Very low | 91 Ų | 91 | 143 Ų | 143 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -4.6 | 148.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 184 | S | 34 | Very low | 33.9 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | -164.6 | 118.9 | 129.1 | -88.9 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 185 | K | 33.4 | Very low | 34.3 | Very low | 207 Ų | 207 | 147.4 Ų | 147.4 | 90% | 0.9 | 81% | 0.806 | S | S | * | * | 51.4 | 134.1 | 127.8 | -153.6 | 170.7 | -175.4 | 177.4 | 0 | 122.6 | |||||
| 186 | A | 31.6 | Very low | 34.4 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -70.4 | 159.8 | 180 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 187 | G | 29.8 | Very low | 34.2 | Very low | 82 Ų | 82 | 143.5 Ų | 143.5 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -159.6 | 142.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 188 | N | 32.4 | Very low | 34.2 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -115.3 | -178.4 | -176.5 | -171 | 8.7 | 0 | 0 | 0 | 110.2 | ||||
| 189 | V | 34.5 | Very low | 34.2 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | trans | 119.8 | 109.3 | 156.2 | -178.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 190 | Y | 31.3 | Very low | 34.1 | Very low | 225 Ų | 225 | 143.7 Ų | 143.7 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | 89.1 | 155 | 153.7 | -87.3 | -129.8 | 0 | 0 | 0 | 122.2 | ||||
| 191 | Q | 29.3 | Very low | 35 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -125.4 | 154.4 | -169.2 | -85.3 | -89.4 | -21 | 0 | 0 | 108.9 | ||||
| 192 | P | 40.8 | Very low | 35.7 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | -143.1 | 166.4 | 91.9 | 35.8 | -19 | 0 | 0 | 0 | 115.1 | Y194 | P192-Y194 HydrophobicContact CB-CE2 4.43Å; P192-Y194 HydrophobicContact CG-CE2 4.19Å | |||
| 193 | A | 33.5 | Very low | 34.8 | Very low | 78 Ų | 78 | 140.3 Ų | 140.3 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | trans | -107.3 | 139.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 194 | Y | 33.4 | Very low | 35 | Very low | 206 Ų | 206 | 142.2 Ų | 142.2 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -148 | 148.3 | 168.8 | -55.5 | -77.2 | 0 | 0 | 0 | 112.1 | P192 | P192-Y194 HydrophobicContact CB-CE2 4.43Å; P192-Y194 HydrophobicContact CG-CE2 4.19Å | ||
| 195 | Y | 39 | Very low | 35 | Very low | 231 Ų | 231 | 141.9 Ų | 141.9 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | 73.4 | 166.6 | 171.2 | -119 | -101.1 | 0 | 0 | 0 | 119.4 | ||||
| 196 | M | 37.4 | Very low | 35.3 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -115.5 | 166.3 | -152.5 | -62.8 | -178.3 | 64.1 | 0 | 0 | 115.3 | ||||
| 197 | Q | 31.7 | Very low | 35.2 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 65% | 0.654 | 78% | 0.775 | S | S | * | * | trans | 109 | 127.3 | 136.5 | -153.9 | 62.2 | 45 | 0 | 0 | 118.2 | ||||
| 198 | D | 31.3 | Very low | 35.4 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | 69.9 | 161.5 | 162.7 | -65.6 | -23.1 | 0 | 0 | 0 | 122.8 | ||||
| 199 | A | 31.4 | Very low | 35.4 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | 85.9 | 128.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 200 | H | 33.7 | Very low | 35.4 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -116.5 | 177.2 | 159.8 | -51.5 | -67.7 | 0 | 0 | 0 | 107.7 | ||||
| 201 | P | 50.4 | Low | 35.4 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | cis | -126.5 | -134.6 | -0.1 | 44.3 | -24 | 0 | 0 | 0 | 111.4 | ||||
| 202 | P | 50 | Low | 35.6 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -122.8 | 171.7 | -136.6 | 36.3 | -14.1 | 0 | 0 | 0 | 117.4 | ||||
| 203 | S | 31.9 | Very low | 35.3 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -124.4 | 151 | 165 | -70.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 204 | D | 34.8 | Very low | 35.2 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -81.7 | 133 | -166.1 | -173 | 30 | 0 | 0 | 0 | 114.7 | W206 | D204-W206 VanDerWaalsContact OD2-CD1 3.28Š| ||
| 205 | P | 34.1 | Very low | 35.9 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -116.2 | 85.2 | 178.2 | 39.1 | -28.1 | 0 | 0 | 0 | 114.3 | G207 | P205-G207 PolarHBondContact O-N 3.33Š| ||
| 206 | W | 39.7 | Very low | 35.5 | Very low | 243 Ų | 243 | 128 Ų | 128 | 92% | 0.92 | 77% | 0.771 | S | S | * | * | trans | -74.1 | 102.8 | 161.1 | -82 | 77.2 | 0 | 0 | 0 | 110.3 | D204 | D204-W206 VanDerWaalsContact OD2-CD1 3.28Š| ||
| 207 | G | 29.6 | Very low | 35.3 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -149.5 | 84.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | P205 | P205-G207 PolarHBondContact O-N 3.33Š| ||
| 208 | S | 32.2 | Very low | 35.3 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 38.6 | 130.6 | 146.7 | -62.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 209 | A | 34.1 | Very low | 35.5 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | 64.4 | 143.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 210 | G | 34.7 | Very low | 35.8 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | cis | 106.6 | 81.9 | -2.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 211 | S | 30.3 | Very low | 36.1 | Very low | 91 Ų | 91 | 131.3 Ų | 131.3 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | trans | -166.9 | 119.9 | 159.6 | -167.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 212 | M | 34.1 | Very low | 35.1 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 84% | 0.837 | 80% | 0.799 | S | S | * | * | trans | 57.2 | 175 | 144 | -67.6 | -166.2 | -82.9 | 0 | 0 | 122.6 | ||||
| 213 | I | 34.2 | Very low | 34.2 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | 81.8 | 102.9 | 169.2 | -53.8 | 113.7 | 0 | 0 | 0 | 117.7 | ||||
| 214 | Q | 31.9 | Very low | 34.5 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 77% | 0.771 | 80% | 0.8 | S | S | * | * | trans | -75.9 | 152 | 156 | -86.6 | -81.6 | -17.7 | 0 | 0 | 110.1 | ||||
| 215 | P | 46.4 | Very low | 35.4 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | -147 | 145.5 | 91.7 | 36.6 | -19.7 | 0 | 0 | 0 | 116.6 | |||||
| 216 | G | 30.8 | Very low | 35.5 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | trans | -122.6 | 148.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 217 | Y | 33.9 | Very low | 35.3 | Very low | 241 Ų | 241 | 128.1 Ų | 128.1 | 95% | 0.945 | 80% | 0.796 | S | S | * | * | trans | -83.1 | 167.6 | -170.9 | -86.9 | -99.9 | 0 | 0 | 0 | 114.9 | ||||
| 218 | S | 32.5 | Very low | 35.5 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -84.7 | 174.4 | -168.1 | -160.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 219 | A | 34.7 | Very low | 35.4 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -104 | 170 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 220 | V | 37 | Very low | 35.2 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -135.3 | 103.5 | 162.6 | -169.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 221 | L | 40 | Very low | 35.2 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | 15.3 | 139.4 | 149 | -58.4 | 171.1 | 0 | 0 | 0 | 122.7 | ||||
| 222 | G | 29.5 | Very low | 36 | Very low | 75 Ų | 75 | 136.8 Ų | 136.8 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | 172 | 106.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 223 | N | 32 | Very low | 35.7 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -102.2 | 156.1 | -170 | -110.6 | 27.7 | 0 | 0 | 0 | 115.3 | ||||
| 224 | S | 37.1 | Very low | 35.8 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -86.5 | 175.6 | -179.7 | -169.9 | 0 | 0 | 0 | 0 | 113 | H226 | S224-H226 PolarHBondContact OG-N 3.24Š| ||
| 225 | P | 54 | Low | 35.9 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 68% | 0.682 | 81% | 0.811 | S | S | * | * | -146.4 | 145 | 98.2 | 37.8 | -22.7 | 0 | 0 | 0 | 117.6 | |||||
| 226 | H | 37.2 | Very low | 35.6 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 75% | 0.75 | 81% | 0.814 | S | S | * | * | trans | 61.5 | 155.6 | 144.5 | 95 | -29.5 | 0 | 0 | 0 | 120 | S224 | S224-H226 PolarHBondContact OG-N 3.24Š| ||
| 227 | L | 35.1 | Very low | 35.7 | Very low | 164 Ų | 164 | 139 Ų | 139 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | cis | -151.3 | 141.3 | -0.1 | -165.5 | 71.7 | 0 | 0 | 0 | 109.7 | ||||
| 228 | G | 33.3 | Very low | 36 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 168.4 | 110.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 229 | Q | 30.2 | Very low | 36.4 | Very low | 189 Ų | 189 | 135 Ų | 135 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -83.2 | 146.4 | -174.4 | -70.5 | -95.9 | -1.9 | 0 | 0 | 112.8 | ||||
| 230 | H | 29.9 | Very low | 36.5 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | -143.9 | 136.9 | 169.4 | -96.8 | -84.7 | 0 | 0 | 0 | 113.1 | ||||
| 231 | G | 34.9 | Very low | 36.7 | Very low | 73 Ų | 73 | 142.2 Ų | 142.2 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | 104.1 | 171.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 232 | P | 47.3 | Very low | 36.3 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | cis | -118.1 | 169.1 | -22.3 | 39 | -27.3 | 0 | 0 | 0 | 111.7 | ||||
| 233 | F | 28.9 | Very low | 36.6 | Very low | 207 Ų | 207 | 147.6 Ų | 147.6 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | trans | -131.6 | 138.1 | 165.1 | -105.2 | -80.2 | 0 | 0 | 0 | 112.3 | ||||
| 234 | T | 35.3 | Very low | 36.7 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 163.4 | -177 | 43.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 235 | A | 33.8 | Very low | 36.6 | Very low | 104 Ų | 104 | 153.7 Ų | 153.7 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 148.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 236 | I | 40.9 | Very low | 36 | Very low | 161 Ų | 161 | 154.7 Ų | 154.7 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 140.7 | -178.4 | -64.5 | 174.6 | 0 | 0 | 0 | 110.6 | ||
| 237 | N | 33.1 | Very low | 35.9 | Very low | 120 Ų | 120 | 154 Ų | 154 | 64% | 0.642 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 129.7 | -179.4 | 178.7 | 23.7 | 0 | 0 | 0 | 111.9 | Q239 | N237-Q239 VanDerWaalsContact C-N 3.28Å; N237-Q239 PolarHBondContact O-N 3.21Å |
| 238 | P | 40.1 | Very low | 37 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -81.8 | 57 | -178.8 | 35.2 | -38.7 | 0 | 0 | 0 | 113.9 | ||
| 239 | Q | 39.9 | Very low | 36.8 | Very low | 163 Ų | 163 | 156.7 Ų | 156.7 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -142.1 | 65 | 173.2 | -74.1 | -159.8 | -18.1 | 0 | 0 | 114 | N237 | N237-Q239 VanDerWaalsContact C-N 3.28Å; N237-Q239 PolarHBondContact O-N 3.21Å | ||
| 240 | D | 37.6 | Very low | 37.1 | Very low | 160 Ų | 160 | 152.7 Ų | 152.7 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -157.6 | 112.3 | 146.7 | -143.9 | -28.3 | 0 | 0 | 0 | 112.5 | ||||
| 241 | R | 41 | Very low | 38.2 | Very low | 223 Ų | 223 | 148.4 Ų | 148.4 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -157.4 | 139 | 163.4 | -145.5 | -172.7 | -178.2 | -155.1 | -1.2 | 111.5 | ||||
| 242 | M | 31.9 | Very low | 38.2 | Very low | 161 Ų | 161 | 152.7 Ų | 152.7 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | 73.1 | 74.1 | 169.1 | -51.5 | -161.8 | -64.8 | 0 | 0 | 117.2 | ||||
| 243 | K | 35.5 | Very low | 37.2 | Very low | 203 Ų | 203 | 153.6 Ų | 153.6 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -128.5 | 148.3 | 139.6 | -75 | -170.6 | 177.4 | 177.8 | 0 | 110.7 | ||||
| 244 | R | 34.2 | Very low | 37.5 | Very low | 243 Ų | 243 | 154.5 Ų | 154.5 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | 80.1 | 108.6 | 173.5 | -55.1 | -170.3 | -179.8 | -80.5 | 0.8 | 118.4 | ||||
| 245 | H | 33.7 | Very low | 38.1 | Very low | 161 Ų | 161 | 153.6 Ų | 153.6 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | -70.1 | 168.7 | 145.9 | -85.7 | -92.1 | 0 | 0 | 0 | 111.3 | ||||
| 246 | P | 41.9 | Very low | 38 | Very low | 126 Ų | 126 | 156.3 Ų | 156.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | -119.3 | 178.2 | 107.3 | -4.7 | 24.9 | 0 | 0 | 0 | 115.3 | |||||
| 247 | L | 35.6 | Very low | 38 | Very low | 146 Ų | 146 | 157.5 Ų | 157.5 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -144.7 | -179.8 | -176.6 | -79.1 | 172.8 | 0 | 0 | 0 | 107.7 | ||||
| 248 | P | 57.1 | Low | 37.8 | Very low | 113 Ų | 113 | 154.6 Ų | 154.6 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | -128.4 | -172.4 | -33.6 | 35.1 | -17.9 | 0 | 0 | 0 | 111.8 | ||||
| 249 | L | 31 | Very low | 37.5 | Very low | 179 Ų | 179 | 153.8 Ų | 153.8 | 94% | 0.937 | 79% | 0.789 | S | S | * | * | trans | -159.3 | 145.1 | 147.9 | -105.8 | 153.5 | 0 | 0 | 0 | 110.1 | ||||
| 250 | S | 35.1 | Very low | 37.3 | Very low | 105 Ų | 105 | 153.8 Ų | 153.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -161.8 | 155.7 | -179.3 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 251 | P | 54.4 | Low | 37.1 | Very low | 105 Ų | 105 | 152 Ų | 152 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | -152.9 | 159.6 | 106.6 | 36.9 | -18.8 | 0 | 0 | 0 | 117.5 | |||||
| 252 | Q | 33.8 | Very low | 36.7 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | 64.2 | 150 | 151.8 | -93.1 | 62.5 | -20.8 | 0 | 0 | 118.8 | ||||
| 253 | N | 25.8 | Very low | 36.5 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | cis | -152.5 | 151 | 25 | -151.5 | -8.3 | 0 | 0 | 0 | 114.2 | ||||
| 254 | Y | 35.1 | Very low | 36.3 | Very low | 225 Ų | 225 | 140.2 Ų | 140.2 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -165.5 | 129.8 | 170.8 | -120.3 | -60.9 | 0 | 0 | 0 | 109.3 | ||||
| 255 | P | 49 | Very low | 36.2 | Very low | 103 Ų | 103 | 137 Ų | 137 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | trans | -152.4 | 168.1 | 133.1 | 36.1 | -18.2 | 0 | 0 | 0 | 113.4 | ||||
| 256 | L | 31.6 | Very low | 36.7 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | cis | -154.5 | -179.4 | -14.5 | -144.2 | 70.1 | 0 | 0 | 0 | 110.2 | ||||
| 257 | H | 41.3 | Very low | 36.1 | Very low | 186 Ų | 186 | 134.6 Ų | 134.6 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -88.3 | 163.4 | 170.3 | -70.4 | -113.6 | 0 | 0 | 0 | 114 | ||||
| 258 | G | 28.1 | Very low | 35.7 | Very low | 59 Ų | 59 | 131.6 Ų | 131.6 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | trans | -143 | 137.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 259 | S | 33.8 | Very low | 34.4 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | 79.3 | 134.2 | 54 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 260 | E | 36.3 | Very low | 34.4 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | cis | -170.2 | 163.1 | 4.9 | 43.7 | -164.7 | 101.8 | 0 | 0 | 114.9 | ||||
| 261 | V | 33.4 | Very low | 34.1 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 55.5 | 132.5 | 155.9 | -64.9 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 262 | N | 31.6 | Very low | 33.1 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | 29.1 | 132.4 | 139.4 | -63.4 | -4.7 | 0 | 0 | 0 | 123.1 | ||||
| 263 | G | 29.2 | Very low | 33 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | -173.9 | 134 | 158.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 264 | A | 30 | Very low | 33.2 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -61.1 | 152.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 265 | H | 33.1 | Very low | 33.2 | Very low | 175 Ų | 175 | 124.7 Ų | 124.7 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -61.9 | 146.7 | 156.5 | 32.1 | -117 | 0 | 0 | 0 | 111.1 | ||||
| 266 | P | 44.1 | Very low | 32.5 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | -145.6 | 160.9 | 86.7 | 40.6 | -25.3 | 0 | 0 | 0 | 116.5 | |||||
| 267 | T | 29.9 | Very low | 32.5 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 32.9 | 127.1 | 147.3 | 61.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 268 | S | 26.1 | Very low | 32.3 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 57% | 0.573 | 77% | 0.774 | S | S | * | * | 173.8 | 173.9 | 60.5 | -162.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 269 | F | 30.2 | Very low | 32.9 | Very low | 190 Ų | 190 | 125.7 Ų | 125.7 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | trans | 62.7 | 86.4 | 161.2 | -50.7 | -56.8 | 0 | 0 | 0 | 119.1 | ||||
| 270 | H | 30.3 | Very low | 32.8 | Very low | 201 Ų | 201 | 125.6 Ų | 125.6 | 93% | 0.931 | 78% | 0.782 | S | S | * | * | trans | -80.8 | 127.8 | 139.6 | -78.5 | -87.6 | 0 | 0 | 0 | 109.3 | ||||
| 271 | A | 29.6 | Very low | 32.6 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -99.5 | 94 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 272 | G | 34 | Very low | 32.6 | Very low | 76 Ų | 76 | 127.2 Ų | 127.2 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -104.6 | 142.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 273 | S | 30.4 | Very low | 33 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -94 | 135.9 | 175.7 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 274 | S | 31 | Very low | 33.8 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 54.2 | 113.8 | 178.2 | 47.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 275 | S | 33.4 | Very low | 34.1 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | cis | 60.9 | 126 | 27.8 | -148.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 276 | F | 34.8 | Very low | 34.1 | Very low | 204 Ų | 204 | 127.4 Ų | 127.4 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | cis | -132.6 | 172.9 | 16.6 | -65.8 | -101.2 | 0 | 0 | 0 | 110.1 | ||||
| 277 | G | 32.1 | Very low | 33.4 | Very low | 69 Ų | 69 | 125.5 Ų | 125.5 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | 137.8 | 120.7 | 0.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 278 | V | 36.6 | Very low | 33.6 | Very low | 137 Ų | 137 | 126 Ų | 126 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | -117.6 | 136.6 | -171.9 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 279 | P | 40.8 | Very low | 34 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -109.6 | 133.8 | 167.6 | 36 | -26.3 | 0 | 0 | 0 | 113 | ||||
| 280 | S | 32.5 | Very low | 34.4 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -112.8 | 127.3 | 171.5 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 281 | H | 31 | Very low | 35 | Very low | 195 Ų | 195 | 126.1 Ų | 126.1 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | trans | -149.5 | 151.9 | 166.3 | -95.4 | -71.1 | 0 | 0 | 0 | 113.1 | ||||
| 282 | T | 34.6 | Very low | 35.3 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 145.8 | -173.7 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 283 | P | 40.2 | Very low | 35.3 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 149.6 | 165.8 | 33.9 | -33.8 | 0 | 0 | 0 | 112.3 | ||
| 284 | P | 44.3 | Very low | 35.4 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 172.6 | 176.7 | 36.5 | -35.9 | 0 | 0 | 0 | 113.6 | ||
| 285 | I | 38 | Very low | 35.8 | Very low | 171 Ų | 171 | 139 Ų | 139 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 156.4 | 176 | -80.4 | 174.4 | 0 | 0 | 0 | 111.4 | ||
| 286 | A | 32.4 | Very low | 35.9 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | 84.7 | 134.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 287 | G | 30 | Very low | 35.8 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | cis | 144 | 130.6 | -11.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 288 | T | 33.8 | Very low | 36.4 | Very low | 141 Ų | 141 | 137 Ų | 137 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -163.4 | 138.5 | 158.6 | 10.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 289 | E | 34.7 | Very low | 36.8 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | trans | -46.5 | 145.9 | 170.6 | -59.9 | 146.3 | -114.4 | 0 | 0 | 116.4 | ||||
| 290 | T | 37.7 | Very low | 37.3 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 91% | 0.908 | 82% | 0.822 | S | S | * | * | trans | -155.9 | 129.4 | 130.5 | -5.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 291 | I | 43.5 | Very low | 37.7 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 80% | 0.8 | 82% | 0.82 | S | S | * | * | trans | -102.2 | 126.2 | 178.5 | -64.4 | 165.3 | 0 | 0 | 0 | 108.8 | ||||
| 292 | M | 34.7 | Very low | 38.6 | Very low | 185 Ų | 185 | 128.3 Ų | 128.3 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -154.9 | 135.5 | 145.2 | -128.2 | 173 | -70 | 0 | 0 | 111.6 | ||||
| 293 | A | 34.3 | Very low | 39.7 | Very low | 84 Ų | 84 | 124.8 Ų | 124.8 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | trans | -87.3 | 155.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 294 | N | 32.5 | Very low | 40.6 | Very low | 164 Ų | 164 | 123.6 Ų | 123.6 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -153.7 | 169.2 | 132.8 | -118.9 | -58.3 | 0 | 0 | 0 | 113.3 | ||||
| 295 | R | 40.3 | Very low | 41.5 | Very low | 244 Ų | 244 | 123.7 Ų | 123.7 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | -95.3 | 146.7 | -168.7 | -58.4 | 173.5 | 174.4 | -172.5 | -3 | 112.9 | ||||
| 296 | G | 35.1 | Very low | 42.6 | Very low | 74 Ų | 74 | 120.9 Ų | 120.9 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | trans | 120.2 | 157.1 | 133 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 297 | A | 33.6 | Very low | 44.4 | Very low | 104 Ų | 104 | 118.1 Ų | 118.1 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | 70.3 | 129.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 298 | V | 43.9 | Very low | 46.2 | Very low | 139 Ų | 139 | 121.7 Ų | 121.7 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | trans | -112.3 | 136.7 | 169.4 | 170.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 299 | P | 45.5 | Very low | 47.4 | Very low | 125 Ų | 125 | 117.6 Ų | 117.6 | 81% | 0.812 | 71% | 0.71 | S | S | * | * | -129.9 | 158.7 | 122.6 | 30.5 | -17.6 | 0 | 0 | 0 | 112 | |||||
| 300 | G | 50 | Low | 48.9 | Very low | 78 Ų | 78 | 114.4 Ų | 114.4 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 155.9 | -162 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 301 | S | 42.2 | Very low | 50 | Low | 97 Ų | 97 | 110.5 Ų | 110.5 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -99 | 165.2 | 165.6 | -167.8 | 0 | 0 | 0 | 0 | 111 | E305 | S301-E305 WeakPolarHBondContact CB-OE2 3.36Å; S301-E305 PolarHBondContact OG-OE2 3.43Å |
| 302 | S | 49.1 | Very low | 50.7 | Low | 74 Ų | 74 | 107.9 Ų | 107.9 | 52% | 0.517 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -77.8 | 155.7 | -177.3 | -170.9 | 0 | 0 | 0 | 0 | 113.1 | D304 | S302-D304 WeakPolarHBondContact CB-OD2 3.39Å; S302-D304 PolarHBondContact O-N 3.02Å; S302-D304 VanDerWaalsContact O-N 3.12Å; S302-D304 PolarHBondContact OG-OD2 2.99Å |
| 303 | G | 57.3 | Low | 52.2 | Low | 50 Ų | 50 | 104.9 Ų | 104.9 | 52% | 0.515 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.9 | -11.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E305 I306 G307 | G303-E305 PolarHBondContact O-N 2.94Å; G303-E305 VanDerWaalsContact O-N 3.16Å; G303-I306 PolarHBondContact O-N 2.84Å; G303-G307 PolarHBondContact O-N 3.22Å |
| 304 | D | 60.4 | Low | 53.2 | Low | 95 Ų | 95 | 109.9 Ų | 109.9 | 51% | 0.508 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -54.1 | -32.1 | 179.4 | -64.6 | -76 | 0 | 0 | 0 | 114.2 | S302 I306 K308 | S302-D304 WeakPolarHBondContact CB-OD2 3.39Å; S302-D304 PolarHBondContact O-N 3.02Å; S302-D304 VanDerWaalsContact O-N 3.12Å; S302-D304 PolarHBondContact OG-OD2 2.99Å; D304-I306 VanDerWaalsContact C-N 3.34Å; D304-K308 WeakPolarHBondContact O-CD 3.4Å; D304-K308 VanDerWaalsContact O-CG 3.31Å; D304-K308 WeakPolarHBondContact O-CG 3.46Å; D304-K308 PolarHBondContact O-N 3.4Å |
| 305 | E | 62.8 | Low | 53.9 | Low | 127 Ų | 127 | 108.3 Ų | 108.3 | 59% | 0.593 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.9 | -33 | -178.8 | -60.5 | -175.8 | 103.1 | 0 | 0 | 111.3 | S301 G303 A309 | S301-E305 WeakPolarHBondContact CB-OE2 3.36Å; S301-E305 PolarHBondContact OG-OE2 3.43Å; G303-E305 PolarHBondContact O-N 2.94Å; G303-E305 VanDerWaalsContact O-N 3.16Å; E305-A309 WeakPolarHBondContact O-CB 3.18Å; E305-A309 PolarHBondContact O-N 3.03Å; E305-A309 VanDerWaalsContact O-N 3.1Å |
| 306 | I | 61.3 | Low | 54.3 | Low | 113 Ų | 113 | 102 Ų | 102 | 58% | 0.579 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.9 | -43.9 | 177.7 | -45.7 | 177.6 | 0 | 0 | 0 | 110.1 | G303 D304 K308 A309 L310 | G303-I306 PolarHBondContact O-N 2.84Å; D304-I306 VanDerWaalsContact C-N 3.34Å; I306-K308 VanDerWaalsContact C-N 3.32Å; I306-K308 PolarHBondContact O-N 3.38Å; I306-A309 PolarHBondContact O-N 2.93Å; I306-L310 HydrophobicContact CG2-CD1 4.23Å; I306-L310 WeakPolarHBondContact O-CG 3.24Å; I306-L310 PolarHBondContact O-N 3.29Å |
| 307 | G | 69.1 | Low | 54.5 | Low | 44 Ų | 44 | 105.6 Ų | 105.6 | 45% | 0.454 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -59.5 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G303 L310 A311 | G303-G307 PolarHBondContact O-N 3.22Å; G307-L310 PolarHBondContact O-N 3.02Å; G307-A311 WeakPolarHBondContact O-CB 3.42Å; G307-A311 PolarHBondContact O-N 3.08Å |
| 308 | K | 68.7 | Low | 55.5 | Low | 142 Ų | 142 | 106.6 Ų | 106.6 | 62% | 0.617 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.5 | -38.6 | 176.2 | -71.1 | 166.9 | -173 | 166.7 | 0 | 112.3 | D304 I306 S312 | D304-K308 WeakPolarHBondContact O-CD 3.4Å; D304-K308 VanDerWaalsContact O-CG 3.31Å; D304-K308 WeakPolarHBondContact O-CG 3.46Å; D304-K308 PolarHBondContact O-N 3.4Å; I306-K308 VanDerWaalsContact C-N 3.32Å; I306-K308 PolarHBondContact O-N 3.38Å; K308-S312 PolarHBondContact O-N 3.38Å; K308-S312 PolarHBondContact O-OG 3.48Å |
| 309 | A | 59.3 | Low | 55.5 | Low | 56 Ų | 56 | 106.9 Ų | 106.9 | 46% | 0.463 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -62.6 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E305 I306 S312 I313 | E305-A309 WeakPolarHBondContact O-CB 3.18Å; E305-A309 PolarHBondContact O-N 3.03Å; E305-A309 VanDerWaalsContact O-N 3.1Å; I306-A309 PolarHBondContact O-N 2.93Å; A309-S312 WeakPolarHBondContact O-CB 3.26Å; A309-S312 PolarHBondContact O-N 3.2Å; A309-I313 WeakPolarHBondContact O-CG1 3.37Å |
| 310 | L | 66.6 | Low | 54.9 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -68 | -39.2 | 179 | -68 | 171.6 | 0 | 0 | 0 | 112.9 | I306 G307 S312 I313 | I306-L310 HydrophobicContact CG2-CD1 4.23Å; I306-L310 WeakPolarHBondContact O-CG 3.24Å; I306-L310 PolarHBondContact O-N 3.29Å; G307-L310 PolarHBondContact O-N 3.02Å; L310-S312 PolarHBondContact O-N 3.36Å; L310-I313 HydrophobicContact CD2-CD1 4.12Å; L310-I313 PolarHBondContact O-N 3.13Å |
| 311 | A | 59.1 | Low | 54.2 | Low | 66 Ų | 66 | 110.6 Ų | 110.6 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -61.2 | -28.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G307 I313 | G307-A311 WeakPolarHBondContact O-CB 3.42Å; G307-A311 PolarHBondContact O-N 3.08Å; A311-I313 VanDerWaalsContact C-N 3.25Å; A311-I313 PolarHBondContact O-N 3.18Å |
| 312 | S | 59.4 | Low | 54.4 | Low | 101 Ų | 101 | 110.3 Ų | 110.3 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -8.3 | -178 | -56.3 | 0 | 0 | 0 | 0 | 114.3 | K308 A309 L310 | K308-S312 PolarHBondContact O-N 3.38Å; K308-S312 PolarHBondContact O-OG 3.48Å; A309-S312 WeakPolarHBondContact O-CB 3.26Å; A309-S312 PolarHBondContact O-N 3.2Å; L310-S312 PolarHBondContact O-N 3.36Å |
| 313 | I | 64.8 | Low | 54.1 | Low | 122 Ų | 122 | 116 Ų | 116 | 63% | 0.626 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -16.1 | -178.1 | -40.8 | 179.1 | 0 | 0 | 0 | 111.6 | A309 L310 A311 | A309-I313 WeakPolarHBondContact O-CG1 3.37Å; L310-I313 HydrophobicContact CD2-CD1 4.12Å; L310-I313 PolarHBondContact O-N 3.13Å; A311-I313 VanDerWaalsContact C-N 3.25Å; A311-I313 PolarHBondContact O-N 3.18Å |
| 314 | Y | 56.8 | Low | 53.4 | Low | 188 Ų | 188 | 119.1 Ų | 119.1 | 74% | 0.737 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -102.3 | 117.9 | 176.4 | -72.5 | -86.4 | 0 | 0 | 0 | 111 | S316 | Y314-S316 PolarHBondContact O-N 2.77Å; Y314-S316 VanDerWaalsContact O-N 3.08Å |
| 315 | P | 47.2 | Very low | 52.9 | Low | 132 Ų | 132 | 120.4 Ų | 120.4 | 86% | 0.857 | 70% | 0.701 | S | S | * | * | trans | -61.4 | 112.8 | 173.8 | -22.8 | 34.2 | 0 | 0 | 0 | 111.1 | D317 | P315-D317 PolarHBondContact O-N 2.89Š| ||
| 316 | S | 49 | Very low | 51.8 | Low | 111 Ų | 111 | 119.5 Ų | 119.5 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | trans | -82.3 | 101.1 | 176.4 | -65.3 | 0 | 0 | 0 | 0 | 110.1 | Y314 | Y314-S316 PolarHBondContact O-N 2.77Å; Y314-S316 VanDerWaalsContact O-N 3.08Å | ||
| 317 | D | 39.2 | Very low | 50.9 | Low | 150 Ų | 150 | 120.3 Ų | 120.3 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | trans | -74.1 | 118.6 | -177.7 | -161.2 | 2 | 0 | 0 | 0 | 111 | P315 N319 | P315-D317 PolarHBondContact O-N 2.89Å; D317-N319 VanDerWaalsContact C-N 3.3Å; D317-N319 PolarHBondContact O-N 3.32Å | ||
| 318 | P | 54 | Low | 49.6 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -85.8 | 50 | -160.7 | 35 | -38.8 | 0 | 0 | 0 | 114.6 | ||
| 319 | N | 43.9 | Very low | 48.2 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | -154.3 | 81.7 | 172.9 | -168.6 | 19.5 | 0 | 0 | 0 | 116.2 | D317 | D317-N319 VanDerWaalsContact C-N 3.3Å; D317-N319 PolarHBondContact O-N 3.32Å | ||
| 320 | S | 32.8 | Very low | 47.2 | Very low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -168.6 | 109.3 | 137.7 | 42.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 321 | N | 36.2 | Very low | 45.9 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -156.3 | 99 | 161.7 | -130.3 | -27.7 | 0 | 0 | 0 | 109.2 | ||||
| 322 | A | 44.4 | Very low | 44.6 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -142.1 | 35.3 | -164.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 323 | F | 43.1 | Very low | 43.3 | Very low | 195 Ų | 195 | 128.7 Ų | 128.7 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -131.1 | 138.1 | 162.2 | -77.5 | -77 | 0 | 0 | 0 | 109.7 | ||||
| 324 | P | 43.7 | Very low | 42.1 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 141.4 | -178.8 | 32.2 | -33.9 | 0 | 0 | 0 | 111.7 | ||
| 325 | P | 49.7 | Very low | 41 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 148 | 167.3 | 30.5 | -34 | 0 | 0 | 0 | 111.1 | ||
| 326 | S | 39.1 | Very low | 40.5 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 150.8 | 173.8 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | S328 | S326-S328 PolarHBondContact O-N 3.24Š|
| 327 | P | 42.1 | Very low | 39.7 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | trans | -74.8 | 114.6 | -176.4 | 29.1 | -34.4 | 0 | 0 | 0 | 112.5 | ||||
| 328 | S | 41.6 | Very low | 39.3 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -70.2 | 146.2 | 170.6 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | S326 | S326-S328 PolarHBondContact O-N 3.24Š| ||
| 329 | T | 40.4 | Very low | 38 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -74.2 | 144 | 178.2 | 46.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 330 | P | 39 | Very low | 37.3 | Very low | 135 Ų | 135 | 124 Ų | 124 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -85.7 | 114.8 | 174.8 | 32.6 | -32.2 | 0 | 0 | 0 | 112.3 | ||||
| 331 | S | 37.6 | Very low | 37.3 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -112 | 113.9 | 161.9 | 48.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 332 | G | 32.4 | Very low | 36.9 | Very low | 79 Ų | 79 | 121.1 Ų | 121.1 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -92.6 | 113.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 333 | S | 33.2 | Very low | 36.4 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 122.8 | 169.1 | -60 | 0 | 0 | 0 | 0 | 110.8 | ||
| 334 | P | 38.8 | Very low | 35.8 | Very low | 124 Ų | 124 | 124.2 Ų | 124.2 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 128.4 | 171.8 | 29.5 | -32.5 | 0 | 0 | 0 | 110.4 | ||
| 335 | Q | 34 | Very low | 35.2 | Very low | 185 Ų | 185 | 125.4 Ų | 125.4 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 135.4 | 172.3 | -72.8 | -174.3 | -38.2 | 0 | 0 | 111 | ||
| 336 | A | 37.2 | Very low | 34.8 | Very low | 101 Ų | 101 | 130 Ų | 130 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 140.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 337 | V | 32.2 | Very low | 34.2 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | -138.3 | 133.3 | 173.1 | -74.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 338 | S | 29 | Very low | 33.8 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 92% | 0.923 | 83% | 0.827 | S | S | * | * | trans | 71.7 | 123.5 | 163.6 | -145 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 339 | G | 27.7 | Very low | 33.6 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | -163.4 | -2.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 340 | S | 28.1 | Very low | 33.1 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | 64.7 | 143.3 | 176.4 | -157.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 341 | A | 32.8 | Very low | 33.1 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -90.5 | 160.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 342 | S | 29.1 | Very low | 33.1 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | trans | -157.8 | 154.8 | 141.8 | -83.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 343 | Q | 33.2 | Very low | 33.5 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 78% | 0.78 | 83% | 0.827 | S | S | * | * | trans | -121.6 | 142.6 | -165.3 | -123.4 | -171 | 5.9 | 0 | 0 | 111.8 | ||||
| 344 | W | 31.6 | Very low | 33.5 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 69% | 0.693 | 83% | 0.826 | S | S | * | * | trans | 50.7 | 124.5 | 161.1 | -59.8 | 108.9 | 0 | 0 | 0 | 120.2 | ||||
| 345 | T | 30.5 | Very low | 33.8 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | -152.4 | 138.7 | 125.8 | -3.9 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 346 | R | 41.3 | Very low | 33.6 | Very low | 218 Ų | 218 | 131.5 Ų | 131.5 | 82% | 0.823 | 82% | 0.822 | S | S | * | * | trans | -98.9 | 143 | 167.9 | -70.6 | -179.2 | 179.5 | -108.4 | 3.6 | 108.2 | ||||
| 347 | S | 27.1 | Very low | 33.9 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -138.2 | 143.2 | 169.2 | -68.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 348 | S | 33.9 | Very low | 34.5 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -118.6 | 139.9 | 177.6 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 349 | G | 35.4 | Very low | 35.4 | Very low | 66 Ų | 66 | 134.2 Ų | 134.2 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | 157.1 | 110.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 350 | Q | 30.9 | Very low | 36.4 | Very low | 209 Ų | 209 | 132.6 Ų | 132.6 | 98% | 0.977 | 79% | 0.791 | S | S | * | * | trans | 68.4 | 164.6 | 161.9 | -60.2 | -169.3 | -12.5 | 0 | 0 | 117.7 | ||||
| 351 | A | 39.3 | Very low | 37.7 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -122.5 | 159.1 | -155.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 352 | T | 37.4 | Very low | 38.7 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -121.2 | 147.9 | 167.8 | 48.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 353 | P | 40.3 | Very low | 39.9 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 150.2 | -177 | 31.9 | -35.2 | 0 | 0 | 0 | 112.4 | ||
| 354 | S | 32.7 | Very low | 40.9 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 141.5 | 178.3 | -46.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 355 | P | 45.1 | Very low | 42.3 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 138 | 164.5 | 30.4 | -32.9 | 0 | 0 | 0 | 110.3 | ||
| 356 | N | 30.5 | Very low | 44.1 | Very low | 146 Ų | 146 | 125 Ų | 125 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 138.4 | -177.8 | -166.4 | 46.6 | 0 | 0 | 0 | 111.5 | ||
| 357 | F | 43.6 | Very low | 45.6 | Very low | 190 Ų | 190 | 121 Ų | 121 | 83% | 0.833 | 72% | 0.718 | S | S | * | * | trans | -109 | 74.2 | -173 | -148.3 | -77.4 | 0 | 0 | 0 | 111.8 | ||||
| 358 | E | 45.5 | Very low | 47.8 | Very low | 171 Ų | 171 | 120 Ų | 120 | 80% | 0.799 | 70% | 0.702 | S | S | * | * | trans | -129.1 | 118.6 | -177.4 | -164.7 | 72.4 | -105.9 | 0 | 0 | 109.6 | ||||
| 359 | G | 46.7 | Very low | 49.9 | Very low | 61 Ų | 61 | 117.5 Ų | 117.5 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 109.1 | -0.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 118 | I361 | G359-I361 PolarHBondContact O-N 3.31Š|
| 360 | G | 50.3 | Low | 52 | Low | 39 Ų | 39 | 119.4 Ų | 119.4 | 40% | 0.402 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.6 | -17.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 361 | I | 53.9 | Low | 54.4 | Low | 139 Ų | 139 | 118 Ų | 118 | 71% | 0.713 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -47.9 | -168.8 | 32.3 | 175.1 | 0 | 0 | 0 | 114.2 | G359 S363 M364 Q365 | G359-I361 PolarHBondContact O-N 3.31Å; I361-S363 VanDerWaalsContact C-N 3.33Å; I361-S363 PolarHBondContact O-N 2.86Å; I361-M364 PolarHBondContact O-N 3.49Å; I361-M364 VanDerWaalsContact O-N 3.12Å; I361-Q365 PolarHBondContact O-N 2.77Å; I361-Q365 VanDerWaalsContact O-N 3.14Å |
| 362 | Q | 55.1 | Low | 56.8 | Low | 153 Ų | 153 | 117.8 Ų | 117.8 | 72% | 0.715 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60.6 | -39.8 | -175.4 | -64.4 | 175.8 | 15.7 | 0 | 0 | 112.3 | M364 Q365 S366 | Q362-M364 VanDerWaalsContact C-N 3.27Å; Q362-M364 PolarHBondContact O-N 3.29Å; Q362-Q365 PolarHBondContact O-N 3.31Å; Q362-S366 PolarHBondContact O-N 3.32Å; Q362-S366 PolarHBondContact O-OG 3.29Å |
| 363 | S | 54.5 | Low | 59.2 | Low | 74 Ų | 74 | 115.8 Ų | 115.8 | 52% | 0.517 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.7 | -22.6 | 179.7 | -167.8 | 0 | 0 | 0 | 0 | 114 | I361 K367 | I361-S363 VanDerWaalsContact C-N 3.33Å; I361-S363 PolarHBondContact O-N 2.86Å; S363-K367 WeakPolarHBondContact O-CG 3.36Å |
| 364 | M | 53.2 | Low | 61.5 | Low | 140 Ų | 140 | 115.9 Ų | 115.9 | 69% | 0.69 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -84.1 | -34.4 | 172.1 | -64.4 | -149 | -56.5 | 0 | 0 | 112 | I361 Q362 K367 L368 | I361-M364 PolarHBondContact O-N 3.49Å; I361-M364 VanDerWaalsContact O-N 3.12Å; Q362-M364 VanDerWaalsContact C-N 3.27Å; Q362-M364 PolarHBondContact O-N 3.29Å; M364-K367 PolarHBondContact O-N 2.92Å; M364-L368 PolarHBondContact O-N 2.85Å |
| 365 | Q | 62 | Low | 64.1 | Low | 113 Ų | 113 | 112.6 Ų | 112.6 | 53% | 0.528 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.8 | -52.2 | 174.9 | -155.8 | -170.8 | -41.5 | 0 | 0 | 110.5 | I361 Q362 K367 L368 E369 | I361-Q365 PolarHBondContact O-N 2.77Å; I361-Q365 VanDerWaalsContact O-N 3.14Å; Q362-Q365 PolarHBondContact O-N 3.31Å; Q365-K367 VanDerWaalsContact C-N 3.3Å; Q365-K367 PolarHBondContact O-N 3.45Å; Q365-L368 WeakPolarHBondContact O-CA 3.49Å; Q365-L368 WeakPolarHBondContact O-CB 3.18Å; Q365-L368 PolarHBondContact O-N 2.94Å; Q365-E369 WeakPolarHBondContact CG-OE2 3.42Å; Q365-E369 PolarHBondContact NE2-OE1 3.4Å; Q365-E369 PolarHBondContact O-N 2.63Å |
| 366 | S | 66.5 | Low | 66.1 | Low | 59 Ų | 59 | 111.1 Ų | 111.1 | 41% | 0.413 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.3 | -39.7 | 178.2 | -51.4 | 0 | 0 | 0 | 0 | 112.7 | Q362 L368 E369 D370 | Q362-S366 PolarHBondContact O-N 3.32Å; Q362-S366 PolarHBondContact O-OG 3.29Å; S366-L368 PolarHBondContact O-N 3.12Å; S366-E369 PolarHBondContact N-OE2 2.81Å; S366-E369 PolarHBondContact O-N 3.3Å; S366-D370 WeakPolarHBondContact O-CB 3.45Å; S366-D370 PolarHBondContact O-N 2.82Å; S366-D370 VanDerWaalsContact O-OD2 3.12Å |
| 367 | K | 73.6 | Confident | 68.6 | Low | 136 Ų | 136 | 107.9 Ų | 107.9 | 59% | 0.591 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.3 | -16.6 | 176.2 | -82.5 | 178.4 | 176.2 | 170.4 | 0 | 114.8 | S363 M364 Q365 R371 | S363-K367 WeakPolarHBondContact O-CG 3.36Å; M364-K367 PolarHBondContact O-N 2.92Å; Q365-K367 VanDerWaalsContact C-N 3.3Å; Q365-K367 PolarHBondContact O-N 3.45Å; K367-R371 VanDerWaalsContact O-CD 3.31Å; K367-R371 WeakPolarHBondContact O-CD 3.34Å; K367-R371 VanDerWaalsContact O-CG 3.27Å; K367-R371 WeakPolarHBondContact O-CG 3.3Å |
| 368 | L | 72.6 | Confident | 70.8 | Confident | 103 Ų | 103 | 101.9 Ų | 101.9 | 54% | 0.539 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -89.3 | -40.2 | 171.9 | 179.2 | 147.7 | 0 | 0 | 0 | 109.9 | M364 Q365 S366 R371 L372 | M364-L368 PolarHBondContact O-N 2.85Å; Q365-L368 WeakPolarHBondContact O-CA 3.49Å; Q365-L368 WeakPolarHBondContact O-CB 3.18Å; Q365-L368 PolarHBondContact O-N 2.94Å; S366-L368 PolarHBondContact O-N 3.12Å; L368-R371 PolarHBondContact O-N 3.48Å; L368-L372 HydrophobicContact CD2-CD1 3.61Å; L368-L372 HydrophobicContact CD2-CG 4.23Å; L368-L372 WeakPolarHBondContact O-CG 3.5Å; L368-L372 PolarHBondContact O-N 3.03Å |
| 369 | E | 78.1 | Confident | 72.8 | Confident | 77 Ų | 77 | 99.6 Ų | 99.6 | 36% | 0.36 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -49 | 174.8 | -71.6 | 156 | 157 | 0 | 0 | 111.1 | Q365 S366 R371 L372 D373 | Q365-E369 WeakPolarHBondContact CG-OE2 3.42Å; Q365-E369 PolarHBondContact NE2-OE1 3.4Å; Q365-E369 PolarHBondContact O-N 2.63Å; S366-E369 PolarHBondContact N-OE2 2.81Å; S366-E369 PolarHBondContact O-N 3.3Å; E369-R371 PolarHBondContact O-N 3.1Å; E369-R371 VanDerWaalsContact O-N 3.09Å; E369-L372 CarbonylContact O-C 3.57Å; E369-L372 PolarHBondContact O-N 3.46Å; E369-D373 WeakPolarHBondContact O-CB 3.42Å; E369-D373 PolarHBondContact O-N 2.92Å |
| 370 | D | 79.8 | Confident | 74.1 | Confident | 106 Ų | 106 | 102.7 Ų | 102.7 | 57% | 0.567 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -48.4 | -40.6 | 171.4 | -71.3 | -36.2 | 0 | 0 | 0 | 112.3 | S366 E374 | S366-D370 WeakPolarHBondContact O-CB 3.45Å; S366-D370 PolarHBondContact O-N 2.82Å; S366-D370 VanDerWaalsContact O-OD2 3.12Å; D370-E374 WeakPolarHBondContact O-CB 3.33Å; D370-E374 PolarHBondContact O-N 2.76Å |
| 371 | R | 81.6 | Confident | 75.4 | Confident | 180 Ų | 180 | 108.8 Ų | 108.8 | 68% | 0.679 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -78 | -34.4 | -179.6 | -74.3 | 178.2 | 174.6 | -77.3 | 1.5 | 112.9 | K367 L368 E369 A375 | K367-R371 VanDerWaalsContact O-CD 3.31Å; K367-R371 WeakPolarHBondContact O-CD 3.34Å; K367-R371 VanDerWaalsContact O-CG 3.27Å; K367-R371 WeakPolarHBondContact O-CG 3.3Å; L368-R371 PolarHBondContact O-N 3.48Å; E369-R371 PolarHBondContact O-N 3.1Å; E369-R371 VanDerWaalsContact O-N 3.09Å; R371-A375 VanDerWaalsContact O-CB 3.32Å; R371-A375 WeakPolarHBondContact O-CB 3.44Å; R371-A375 PolarHBondContact O-N 2.95Å |
| 372 | L | 89.8 | Confident | 76.1 | Confident | 93 Ų | 93 | 109.7 Ų | 109.7 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.6 | -42.7 | 172.5 | -71.9 | 177.9 | 0 | 0 | 0 | 110.2 | L368 E369 A375 I376 | L368-L372 HydrophobicContact CD2-CD1 3.61Å; L368-L372 HydrophobicContact CD2-CG 4.23Å; L368-L372 WeakPolarHBondContact O-CG 3.5Å; L368-L372 PolarHBondContact O-N 3.03Å; E369-L372 CarbonylContact O-C 3.57Å; E369-L372 PolarHBondContact O-N 3.46Å; L372-A375 PolarHBondContact O-N 3.31Å; L372-I376 WeakPolarHBondContact O-CB 3.45Å; L372-I376 WeakPolarHBondContact O-CD1 3.38Å; L372-I376 WeakPolarHBondContact O-CG1 3.44Å; L372-I376 PolarHBondContact O-N 3.27Å |
| 373 | D | 87.2 | Confident | 76.7 | Confident | 90 Ų | 90 | 106.4 Ų | 106.4 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 175.3 | -74.9 | -34.5 | 0 | 0 | 0 | 111.5 | E369 N377 | E369-D373 WeakPolarHBondContact O-CB 3.42Å; E369-D373 PolarHBondContact O-N 2.92Å; D373-N377 VanDerWaalsContact O-CB 3.26Å; D373-N377 WeakPolarHBondContact O-CB 3.33Å; D373-N377 PolarHBondContact O-N 3.22Å; D373-N377 PolarHBondContact O-ND2 3.21Å |
| 374 | E | 89.2 | Confident | 77 | Confident | 128 Ų | 128 | 106.4 Ų | 106.4 | 60% | 0.598 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.2 | -47.1 | 171.4 | -175.3 | 172 | -151 | 0 | 0 | 111.4 | D370 I376 N377 V378 | D370-E374 WeakPolarHBondContact O-CB 3.33Å; D370-E374 PolarHBondContact O-N 2.76Å; E374-I376 PolarHBondContact O-N 3.29Å; E374-N377 PolarHBondContact O-N 3.01Å; E374-V378 WeakPolarHBondContact O-CG2 3.41Å; E374-V378 PolarHBondContact O-N 2.84Å |
| 375 | A | 86.9 | Confident | 77.4 | Confident | 44 Ų | 44 | 103.2 Ų | 103.2 | 36% | 0.364 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R371 L372 V378 L379 | R371-A375 VanDerWaalsContact O-CB 3.32Å; R371-A375 WeakPolarHBondContact O-CB 3.44Å; R371-A375 PolarHBondContact O-N 2.95Å; L372-A375 PolarHBondContact O-N 3.31Å; A375-V378 PolarHBondContact O-N 3.4Å; A375-L379 VanDerWaalsContact O-CD1 3.24Å; A375-L379 WeakPolarHBondContact O-CD1 3.17Å; A375-L379 PolarHBondContact O-N 3.09Å |
| 376 | I | 87.2 | Confident | 76.7 | Confident | 91 Ų | 91 | 106.2 Ų | 106.2 | 47% | 0.467 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64 | -45.3 | 175 | -70.4 | 163.1 | 0 | 0 | 0 | 109.8 | L372 E374 V378 L379 Q380 | L372-I376 WeakPolarHBondContact O-CB 3.45Å; L372-I376 WeakPolarHBondContact O-CD1 3.38Å; L372-I376 WeakPolarHBondContact O-CG1 3.44Å; L372-I376 PolarHBondContact O-N 3.27Å; E374-I376 PolarHBondContact O-N 3.29Å; I376-V378 VanDerWaalsContact C-N 3.26Å; I376-V378 PolarHBondContact O-N 2.8Å; I376-L379 PolarHBondContact O-N 2.76Å; I376-Q380 WeakPolarHBondContact O-CB 3.39Å; I376-Q380 PolarHBondContact O-N 3.17Å |
| 377 | N | 84.3 | Confident | 75.8 | Confident | 79 Ų | 79 | 107.4 Ų | 107.4 | 42% | 0.422 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.6 | -26.9 | 175.3 | -83.9 | -77.5 | 0 | 0 | 0 | 113.2 | D373 E374 R381 | D373-N377 VanDerWaalsContact O-CB 3.26Å; D373-N377 WeakPolarHBondContact O-CB 3.33Å; D373-N377 PolarHBondContact O-N 3.22Å; D373-N377 PolarHBondContact O-ND2 3.21Å; E374-N377 PolarHBondContact O-N 3.01Å; N377-R381 WeakPolarHBondContact O-CB 3.32Å; N377-R381 WeakPolarHBondContact O-CG 3.34Å; N377-R381 PolarHBondContact O-N 2.86Å; N377-R381 PolarHBondContact O-NE 2.8Å |
| 378 | V | 89.4 | Confident | 74.2 | Confident | 63 Ų | 63 | 104.2 Ų | 104.2 | 38% | 0.382 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.5 | -53.8 | 171 | 168.8 | 0 | 0 | 0 | 0 | 110.4 | E374 A375 I376 Q380 R381 H382 | E374-V378 WeakPolarHBondContact O-CG2 3.41Å; E374-V378 PolarHBondContact O-N 2.84Å; A375-V378 PolarHBondContact O-N 3.4Å; I376-V378 VanDerWaalsContact C-N 3.26Å; I376-V378 PolarHBondContact O-N 2.8Å; V378-Q380 VanDerWaalsContact C-N 3.28Å; V378-Q380 PolarHBondContact O-N 2.99Å; V378-R381 PolarHBondContact O-N 3.08Å; V378-H382 PolarHBondContact O-CD2 3.21Å; V378-H382 VanDerWaalsContact O-CD2 3.24Å; V378-H382 PolarHBondContact O-N 3.2Å |
| 379 | L | 86.1 | Confident | 73.1 | Confident | 124 Ų | 124 | 104.8 Ų | 104.8 | 65% | 0.649 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.4 | -41.1 | 177.7 | -93 | 97.5 | 0 | 0 | 0 | 112.1 | A375 I376 H382 A383 | A375-L379 VanDerWaalsContact O-CD1 3.24Å; A375-L379 WeakPolarHBondContact O-CD1 3.17Å; A375-L379 PolarHBondContact O-N 3.09Å; I376-L379 PolarHBondContact O-N 2.76Å; L379-H382 CarbonylContact O-C 3.58Å; L379-H382 PolarHBondContact O-N 2.91Å; L379-A383 VanDerWaalsContact O-CB 3.3Å; L379-A383 WeakPolarHBondContact O-CB 3.27Å; L379-A383 PolarHBondContact O-N 3.41Å |
| 380 | Q | 74.8 | Confident | 71.8 | Confident | 126 Ų | 126 | 103.8 Ų | 103.8 | 59% | 0.589 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.9 | -35.1 | -179.3 | -165.7 | 163.7 | 10.5 | 0 | 0 | 111.9 | I376 V378 H382 A383 S384 | I376-Q380 WeakPolarHBondContact O-CB 3.39Å; I376-Q380 PolarHBondContact O-N 3.17Å; V378-Q380 VanDerWaalsContact C-N 3.28Å; V378-Q380 PolarHBondContact O-N 2.99Å; Q380-H382 VanDerWaalsContact C-N 3.35Å; Q380-A383 PolarHBondContact O-N 3.4Å; Q380-S384 WeakPolarHBondContact O-CB 3.22Å; Q380-S384 PolarHBondContact O-N 3.42Å; Q380-S384 PolarHBondContact O-OG 2.99Å |
| 381 | R | 78.3 | Confident | 70.5 | Confident | 166 Ų | 166 | 105.1 Ų | 105.1 | 63% | 0.626 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.3 | -33.4 | 169.8 | -84 | 179.2 | -79.7 | -149.7 | 2.5 | 113 | N377 V378 | N377-R381 WeakPolarHBondContact O-CB 3.32Å; N377-R381 WeakPolarHBondContact O-CG 3.34Å; N377-R381 PolarHBondContact O-N 2.86Å; N377-R381 PolarHBondContact O-NE 2.8Å; V378-R381 PolarHBondContact O-N 3.08Å |
| 382 | H | 68.7 | Low | 69 | Low | 159 Ų | 159 | 99.8 Ų | 99.8 | 74% | 0.736 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75.4 | -31.4 | 172.8 | -76.9 | -70.9 | 0 | 0 | 0 | 113.1 | V378 L379 Q380 | V378-H382 PolarHBondContact O-CD2 3.21Å; V378-H382 VanDerWaalsContact O-CD2 3.24Å; V378-H382 PolarHBondContact O-N 3.2Å; L379-H382 CarbonylContact O-C 3.58Å; L379-H382 PolarHBondContact O-N 2.91Å; Q380-H382 VanDerWaalsContact C-N 3.35Å |
| 383 | A | 67.6 | Low | 67.2 | Low | 83 Ų | 83 | 101.9 Ų | 101.9 | 69% | 0.686 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -83 | -28.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L379 Q380 G385 | L379-A383 VanDerWaalsContact O-CB 3.3Å; L379-A383 WeakPolarHBondContact O-CB 3.27Å; L379-A383 PolarHBondContact O-N 3.41Å; Q380-A383 PolarHBondContact O-N 3.4Å; A383-G385 PolarHBondContact O-N 3.43Å |
| 384 | S | 60.1 | Low | 65.6 | Low | 75 Ų | 75 | 103.5 Ų | 103.5 | 52% | 0.524 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -75.7 | 1.8 | -174.7 | 70.9 | 0 | 0 | 0 | 0 | 115.1 | Q380 Q386 | Q380-S384 WeakPolarHBondContact O-CB 3.22Å; Q380-S384 PolarHBondContact O-N 3.42Å; Q380-S384 PolarHBondContact O-OG 2.99Å; S384-Q386 PolarHBondContact O-N 3.26Å |
| 385 | G | 61.6 | Low | 63.8 | Low | 72 Ų | 72 | 104.2 Ų | 104.2 | 74% | 0.742 | 62% | 0.623 | S | S | * | * | trans | 64.8 | 13.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117 | A383 | A383-G385 PolarHBondContact O-N 3.43Š| ||
| 386 | Q | 46.6 | Very low | 62 | Low | 177 Ų | 177 | 105.9 Ų | 105.9 | 83% | 0.827 | 63% | 0.632 | S | S | * | * | trans | -94.6 | 112.3 | -177.8 | -156.9 | 167.8 | 13.7 | 0 | 0 | 110 | S384 | S384-Q386 PolarHBondContact O-N 3.26Š| ||
| 387 | G | 49.2 | Very low | 60.5 | Low | 83 Ų | 83 | 107.4 Ų | 107.4 | 86% | 0.856 | 64% | 0.64 | S | S | * | * | trans | -82.3 | 135.9 | -156.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 388 | G | 39.9 | Very low | 58.9 | Low | 70 Ų | 70 | 110.2 Ų | 110.2 | 72% | 0.722 | 66% | 0.655 | S | S | * | * | trans | 118.6 | 149.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 389 | P | 48.9 | Very low | 57.2 | Low | 115 Ų | 115 | 111.5 Ų | 111.5 | 75% | 0.747 | 67% | 0.666 | S | S | * | * | cis | -121.1 | 40.2 | 2.3 | 41.8 | -28 | 0 | 0 | 0 | 113.9 | L391 A392 | P389-L391 PolarHBondContact O-N 3.05Å; P389-A392 PolarHBondContact O-N 3.33Å | ||
| 390 | G | 50.9 | Low | 55.4 | Low | 55 Ų | 55 | 109 Ų | 109 | 57% | 0.567 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 6.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 391 | L | 52.7 | Low | 54.1 | Low | 134 Ų | 134 | 106.2 Ų | 106.2 | 70% | 0.702 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -24.4 | 175.7 | -171 | 60.9 | 0 | 0 | 0 | 113 | P389 M394 | P389-L391 PolarHBondContact O-N 3.05Å; L391-M394 HydrophobicContact CD1-CE 4.15Å |
| 392 | A | 50.2 | Low | 53 | Low | 68 Ų | 68 | 105.5 Ų | 105.5 | 56% | 0.562 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -73.9 | -39.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P389 M394 H395 S396 | P389-A392 PolarHBondContact O-N 3.33Å; A392-M394 PolarHBondContact O-N 2.92Å; A392-H395 WeakPolarHBondContact O-CB 3.47Å; A392-H395 PolarHBondContact O-N 3.41Å; A392-H395 VanDerWaalsContact O-N 3.14Å; A392-S396 PolarHBondContact O-N 3.29Å |
| 393 | E | 52.4 | Low | 52 | Low | 137 Ų | 137 | 101.3 Ų | 101.3 | 64% | 0.64 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -67.6 | -36.2 | -172.1 | -169.8 | 165.3 | -159.5 | 0 | 0 | 113 | H395 S396 L397 | E393-H395 PolarHBondContact O-N 3.19Å; E393-S396 WeakPolarHBondContact O-CB 3.36Å; E393-S396 PolarHBondContact O-N 3.45Å; E393-L397 PolarHBondContact O-N 3.27Å |
| 394 | M | 53.3 | Low | 50.9 | Low | 124 Ų | 124 | 105 Ų | 105 | 61% | 0.611 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -61.9 | -28.7 | 174.4 | -68 | -168.5 | -73.1 | 0 | 0 | 112.9 | L391 A392 | L391-M394 HydrophobicContact CD1-CE 4.15Å; A392-M394 PolarHBondContact O-N 2.92Å |
| 395 | H | 50.3 | Low | 49.8 | Very low | 143 Ų | 143 | 105.6 Ų | 105.6 | 66% | 0.662 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -75.3 | -34.4 | 172.5 | -102.5 | -95.6 | 0 | 0 | 0 | 112.6 | A392 E393 S399 | A392-H395 WeakPolarHBondContact O-CB 3.47Å; A392-H395 PolarHBondContact O-N 3.41Å; A392-H395 VanDerWaalsContact O-N 3.14Å; E393-H395 PolarHBondContact O-N 3.19Å; H395-S399 PolarHBondContact O-N 3.29Å |
| 396 | S | 49.7 | Very low | 48.9 | Very low | 79 Ų | 79 | 108.8 Ų | 108.8 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -66.7 | -40.5 | 175.1 | -65.7 | 0 | 0 | 0 | 0 | 112.5 | A392 E393 L398 S399 A400 | A392-S396 PolarHBondContact O-N 3.29Å; E393-S396 WeakPolarHBondContact O-CB 3.36Å; E393-S396 PolarHBondContact O-N 3.45Å; S396-L398 VanDerWaalsContact C-N 3.33Å; S396-L398 PolarHBondContact O-N 3.27Å; S396-S399 PolarHBondContact O-N 3.1Å; S396-S399 VanDerWaalsContact O-N 3.1Å; S396-A400 PolarHBondContact O-N 2.87Å |
| 397 | L | 54.5 | Low | 48.5 | Very low | 123 Ų | 123 | 103.6 Ų | 103.6 | 64% | 0.644 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -63.1 | -37.7 | 177.8 | -66.9 | 177.3 | 0 | 0 | 0 | 112.5 | E393 S399 A400 | E393-L397 PolarHBondContact O-N 3.27Å; L397-S399 VanDerWaalsContact C-N 3.28Å; L397-S399 PolarHBondContact O-N 2.91Å; L397-A400 PolarHBondContact O-N 3.12Å |
| 398 | L | 51.8 | Low | 47.6 | Very low | 139 Ų | 139 | 109.7 Ų | 109.7 | 73% | 0.728 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -67.2 | -29.4 | 174.7 | -169.4 | 63.3 | 0 | 0 | 0 | 112.4 | S396 | S396-L398 VanDerWaalsContact C-N 3.33Å; S396-L398 PolarHBondContact O-N 3.27Å |
| 399 | S | 52.8 | Low | 47.6 | Very low | 89 Ų | 89 | 113.4 Ų | 113.4 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -80.5 | -23.9 | 176.3 | -167.2 | 0 | 0 | 0 | 0 | 113.6 | H395 S396 L397 G401 | H395-S399 PolarHBondContact O-N 3.29Å; S396-S399 PolarHBondContact O-N 3.1Å; S396-S399 VanDerWaalsContact O-N 3.1Å; L397-S399 VanDerWaalsContact C-N 3.28Å; L397-S399 PolarHBondContact O-N 2.91Å; S399-G401 VanDerWaalsContact C-N 3.29Å; S399-G401 PolarHBondContact O-N 2.97Å |
| 400 | A | 50.1 | Low | 46.7 | Very low | 72 Ų | 72 | 113.6 Ų | 113.6 | 60% | 0.595 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -68.4 | -27.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S396 L397 L402 G403 | S396-A400 PolarHBondContact O-N 2.87Å; L397-A400 PolarHBondContact O-N 3.12Å; A400-L402 PolarHBondContact O-N 2.86Å; A400-G403 PolarHBondContact O-N 3.49Å |
| 401 | G | 45.7 | Very low | 45.8 | Very low | 68 Ų | 68 | 116 Ų | 116 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -2.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S399 | S399-G401 VanDerWaalsContact C-N 3.29Å; S399-G401 PolarHBondContact O-N 2.97Å |
| 402 | L | 55.2 | Low | 44.8 | Very low | 151 Ų | 151 | 113.8 Ų | 113.8 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 8.9 | 179.7 | -71.1 | 173.1 | 0 | 0 | 0 | 114.7 | A400 I404 | A400-L402 PolarHBondContact O-N 2.86Å; L402-I404 PolarHBondContact O-N 3.23Å |
| 403 | G | 48.7 | Very low | 44 | Very low | 71 Ų | 71 | 118.9 Ų | 118.9 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | trans | 66.2 | 39.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | A400 | A400-G403 PolarHBondContact O-N 3.49Š| ||
| 404 | I | 43.6 | Very low | 42.8 | Very low | 159 Ų | 159 | 115.3 Ų | 115.3 | 82% | 0.815 | 74% | 0.737 | S | S | * | * | trans | -113.1 | 126.6 | 174.2 | -52.7 | -179.4 | 0 | 0 | 0 | 110.2 | L402 | L402-I404 PolarHBondContact O-N 3.23Š| ||
| 405 | A | 37.7 | Very low | 42 | Very low | 89 Ų | 89 | 118.1 Ų | 118.1 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -80.1 | 147.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G407 | A405-G407 PolarHBondContact O-N 2.76Š| ||
| 406 | P | 43.7 | Very low | 41.1 | Very low | 138 Ų | 138 | 115.6 Ų | 115.6 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | trans | -83 | 115.9 | -177 | 31.6 | -33.5 | 0 | 0 | 0 | 112.8 | ||||
| 407 | G | 38 | Very low | 40.1 | Very low | 68 Ų | 68 | 117 Ų | 117 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | 126.3 | 100.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | A405 | A405-G407 PolarHBondContact O-N 2.76Š| ||
| 408 | F | 30.2 | Very low | 39.2 | Very low | 212 Ų | 212 | 121.9 Ų | 121.9 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | -163.4 | 155.5 | 115.5 | -123.6 | -95.4 | 0 | 0 | 0 | 109.6 | |||||
| 409 | N | 38.6 | Very low | 38.2 | Very low | 148 Ų | 148 | 122.6 Ų | 122.6 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -107.2 | 149.6 | -178.6 | -88.2 | -56.9 | 0 | 0 | 0 | 112.5 | ||||
| 410 | S | 30.1 | Very low | 37.1 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 55.3 | 113.1 | 159.7 | -67.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 411 | A | 32.6 | Very low | 36.1 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | -166.5 | 156.7 | 110.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 412 | A | 31.6 | Very low | 35.7 | Very low | 88 Ų | 88 | 132.3 Ų | 132.3 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -62.4 | 166.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 413 | L | 33.8 | Very low | 34.5 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | cis | -144.4 | 173.7 | 18.2 | -67 | 159.6 | 0 | 0 | 0 | 108 | ||||
| 414 | G | 27.8 | Very low | 33.4 | Very low | 61 Ų | 61 | 132.5 Ų | 132.5 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | cis | 158.5 | 157.6 | -0.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 415 | L | 35.4 | Very low | 32.8 | Very low | 183 Ų | 183 | 129.7 Ų | 129.7 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | trans | 72.5 | 138.7 | -178.4 | -51.4 | 179.9 | 0 | 0 | 0 | 116.4 | ||||
| 416 | A | 32 | Very low | 32.3 | Very low | 90 Ų | 90 | 133.4 Ų | 133.4 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | cis | -159 | 145.8 | -13.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 417 | S | 28.1 | Very low | 31.9 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 53.8 | 102.6 | 143.8 | -160 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 418 | R | 36 | Very low | 31.4 | Very low | 226 Ų | 226 | 138.1 Ų | 138.1 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | -159.4 | 109.2 | 103.8 | -104.7 | -177.1 | -168 | -84.6 | 0.1 | 112.8 | |||||
| 419 | L | 30.1 | Very low | 31.2 | Very low | 154 Ų | 154 | 135 Ų | 135 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 43.7 | 89.7 | 149.2 | -55.4 | 177.1 | 0 | 0 | 0 | 119.1 | ||||
| 420 | Q | 30.5 | Very low | 30.9 | Very low | 204 Ų | 204 | 132.4 Ų | 132.4 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | trans | -96.6 | 158.5 | 135.3 | -80.3 | -177.3 | -44.3 | 0 | 0 | 109.3 | ||||
| 421 | G | 29.2 | Very low | 31.1 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 121.7 | 167.6 | 162 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 422 | L | 37.3 | Very low | 30.8 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | cis | -159 | 159.7 | -17.2 | -82.5 | -172.6 | 0 | 0 | 0 | 107.1 | ||||
| 423 | V | 29.5 | Very low | 31.1 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | cis | -171 | 168.9 | -31.9 | 70.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 424 | S | 26.8 | Very low | 31.8 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | 81.9 | 157.4 | 159.7 | -108.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 425 | S | 30.1 | Very low | 32 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -51.7 | 162.5 | 163 | 53.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 426 | H | 27.7 | Very low | 31.8 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 83.6 | 151.8 | 154.7 | -157.4 | -83.7 | 0 | 0 | 0 | 117.1 | ||||
| 427 | L | 34.5 | Very low | 31.8 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | -60.9 | 150.1 | -177.1 | -55.8 | 94.2 | 0 | 0 | 0 | 113 | ||||
| 428 | E | 28 | Very low | 32 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | -162.8 | 144.7 | 108.4 | -95.9 | -59.6 | 84.2 | 0 | 0 | 113.4 | |||||
| 429 | D | 26.8 | Very low | 31.8 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | 40.7 | 165.3 | 160.8 | -143.3 | 8.5 | 0 | 0 | 0 | 124.3 | ||||
| 430 | S | 32.3 | Very low | 31.8 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | -124.3 | 162.1 | -172.5 | -51.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 431 | V | 32.6 | Very low | 31.8 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 92% | 0.915 | 78% | 0.778 | S | S | * | * | trans | -145.7 | 124 | 135.2 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 432 | G | 26.9 | Very low | 31.8 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 177.1 | 44.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 433 | L | 38.6 | Very low | 31.3 | Very low | 158 Ų | 158 | 125 Ų | 125 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -73.3 | 169.6 | -172.5 | -65.2 | 173.9 | 0 | 0 | 0 | 113.6 | ||||
| 434 | P | 48.5 | Very low | 32.4 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -132.1 | 156.5 | 0.6 | 37.6 | -21.5 | 0 | 0 | 0 | 116.7 | ||||
| 435 | S | 30.8 | Very low | 32.4 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -161.8 | 87.2 | 143 | -157.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 436 | S | 31.6 | Very low | 32.5 | Very low | 119 Ų | 119 | 125 Ų | 125 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 30.3 | 97 | 144.9 | -52 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 437 | G | 31.9 | Very low | 32.7 | Very low | 85 Ų | 85 | 123.6 Ų | 123.6 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | 92.3 | 143 | 112.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 438 | G | 32.8 | Very low | 32.6 | Very low | 75 Ų | 75 | 125 Ų | 125 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 104.9 | 92.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 439 | V | 32 | Very low | 32.7 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | 90 | 96.6 | 65.6 | 175.4 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 440 | L | 30.4 | Very low | 32.8 | Very low | 154 Ų | 154 | 120.3 Ų | 120.3 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | 59.5 | 142.4 | 139.9 | -58.8 | 177.4 | 0 | 0 | 0 | 125.1 | ||||
| 441 | H | 28.8 | Very low | 32.7 | Very low | 160 Ų | 160 | 121.2 Ų | 121.2 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 96.1 | 135.7 | 134.2 | -112.7 | 150.9 | 0 | 0 | 0 | 123 | ||||
| 442 | H | 30.4 | Very low | 32.6 | Very low | 178 Ų | 178 | 122 Ų | 122 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 55.1 | 167 | 148 | 86 | -20.4 | 0 | 0 | 0 | 119.8 | ||||
| 443 | G | 26 | Very low | 32.7 | Very low | 65 Ų | 65 | 125.7 Ų | 125.7 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | cis | -170.5 | 177.3 | 3.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 444 | P | 52.1 | Low | 32.2 | Very low | 128 Ų | 128 | 126 Ų | 126 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -120.7 | 175.8 | -155.3 | 42.5 | -33.5 | 0 | 0 | 0 | 117.7 | ||||
| 445 | A | 28.2 | Very low | 31.2 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 69.9 | 169.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 446 | S | 31.9 | Very low | 31.1 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | cis | -179.8 | 180 | -36.3 | -170.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 447 | V | 31.8 | Very low | 31.2 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | 62.2 | 155.4 | 165.2 | -60.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 448 | H | 31.4 | Very low | 31 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | cis | -177 | 154.4 | -28.6 | 178.8 | -119.5 | 0 | 0 | 0 | 110.6 | ||||
| 449 | L | 30.3 | Very low | 31.3 | Very low | 149 Ų | 149 | 132 Ų | 132 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | 69.4 | 152.7 | 167.5 | -136.7 | 50.9 | 0 | 0 | 0 | 116.3 | ||||
| 450 | G | 28.6 | Very low | 31.7 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | cis | 173.6 | -177.2 | -2.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 451 | S | 32.2 | Very low | 31.6 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | cis | -170.1 | 176.2 | -10.3 | -167.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 452 | Q | 29.2 | Very low | 31.7 | Very low | 167 Ų | 167 | 126.3 Ų | 126.3 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | 62.7 | 171.8 | 175.2 | -80.7 | -169.6 | -21.7 | 0 | 0 | 117.9 | ||||
| 453 | Q | 28.6 | Very low | 31.6 | Very low | 154 Ų | 154 | 121.4 Ų | 121.4 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | -165 | 144.3 | -57 | -113.6 | 169.7 | 17.6 | 0 | 0 | 109.4 | |||||
| 454 | D | 29.1 | Very low | 32 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | 51.9 | 145.8 | 167.1 | -69.3 | -47 | 0 | 0 | 0 | 122.3 | ||||
| 455 | G | 27.7 | Very low | 30.9 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 128.1 | 74.5 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 456 | F | 28.9 | Very low | 31.2 | Very low | 193 Ų | 193 | 132 Ų | 132 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | 70.4 | 101.4 | 141.3 | -140.5 | -105.7 | 0 | 0 | 0 | 122.7 | ||||
| 457 | T | 32.2 | Very low | 30.9 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | trans | 55.5 | 110.5 | 144.7 | 67.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 458 | G | 29.5 | Very low | 30.8 | Very low | 78 Ų | 78 | 128.4 Ų | 128.4 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -168.5 | 134.4 | 154 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 459 | L | 37.2 | Very low | 30.8 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -77.8 | 163.6 | 175.9 | -71.5 | 173.9 | 0 | 0 | 0 | 111 | ||||
| 460 | P | 41.2 | Very low | 30.8 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | cis | -141.3 | 177.4 | 17.8 | 42.8 | -25.1 | 0 | 0 | 0 | 117.7 | ||||
| 461 | G | 29.1 | Very low | 30.9 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | 121.8 | 87.3 | 133.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 462 | S | 29.6 | Very low | 31.2 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | 53 | 116.1 | 143.4 | -173 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 463 | G | 29.6 | Very low | 31.7 | Very low | 74 Ų | 74 | 134.4 Ų | 134.4 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 168.4 | 58.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 464 | N | 32.8 | Very low | 32.1 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | trans | 27.5 | 110.6 | 161.5 | -62.9 | 13 | 0 | 0 | 0 | 121 | ||||
| 465 | R | 29.2 | Very low | 32.4 | Very low | 245 Ų | 245 | 134 Ų | 134 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | -169 | 161.1 | 123.2 | -109.6 | 164.8 | 168.8 | -87 | -2.4 | 115.3 | |||||
| 466 | S | 34.4 | Very low | 33.2 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -62 | 155.6 | -161.2 | -40.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 467 | G | 26.4 | Very low | 33.8 | Very low | 84 Ų | 84 | 134.9 Ų | 134.9 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 109.6 | 143.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 468 | G | 29.1 | Very low | 34.4 | Very low | 77 Ų | 77 | 135.9 Ų | 135.9 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | cis | 160.9 | 105.1 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 469 | T | 31.4 | Very low | 35 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | trans | -153.2 | 149.2 | 169.4 | 47.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 470 | A | 30.1 | Very low | 35.8 | Very low | 95 Ų | 95 | 141.1 Ų | 141.1 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | cis | -140.3 | 151 | -8.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 471 | I | 32.3 | Very low | 35.9 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -49.7 | 131.9 | 177.8 | -60.7 | 156.6 | 0 | 0 | 0 | 113.7 | R473 | I471-R473 HydrophobicContact CG2-CG 3.7Š| ||
| 472 | K | 37.5 | Very low | 36.2 | Very low | 189 Ų | 189 | 144.2 Ų | 144.2 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -122 | 136.2 | 130.2 | -169.9 | 178.4 | 176.4 | -165.1 | 0 | 108 | ||||
| 473 | R | 40.6 | Very low | 36.8 | Very low | 204 Ų | 204 | 142 Ų | 142 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -102.5 | 139.2 | -179.2 | -76.4 | 174.3 | -73.9 | -179.4 | -2.9 | 110.6 | I471 | I471-R473 HydrophobicContact CG2-CG 3.7Š| ||
| 474 | E | 36.2 | Very low | 37.7 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | -164.3 | 111.8 | 134 | -93.9 | 129.1 | -164.5 | 0 | 0 | 102.7 | ||||
| 475 | D | 35.2 | Very low | 38.3 | Very low | 149 Ų | 149 | 145 Ų | 145 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 52.2 | 116.7 | 99.9 | -84.5 | -7.9 | 0 | 0 | 0 | 111.7 | |||||
| 476 | K | 45 | Very low | 39 | Very low | 147 Ų | 147 | 140 Ų | 140 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | 56.4 | 123 | 59.4 | -169.5 | 162.7 | 168.3 | 28.6 | 0 | 109.7 | |||||
| 477 | E | 40.2 | Very low | 39.5 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 66% | 0.659 | 78% | 0.778 | S | S | * | * | cis | -140.2 | 175 | 23.6 | 32.4 | -114.2 | 150.8 | 0 | 0 | 115.1 | ||||
| 478 | D | 45.9 | Very low | 40.4 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | 24.1 | 123.4 | 142.8 | -43.8 | -13.6 | 0 | 0 | 0 | 119.3 | ||||
| 479 | D | 42.5 | Very low | 41.3 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | -160.6 | 122.6 | 128.7 | -123.4 | -22 | 0 | 0 | 0 | 112.2 | N481 | D479-N481 PolarHBondContact O-N 3.25Š| |||
| 480 | E | 53 | Low | 42.1 | Very low | 202 Ų | 202 | 141 Ų | 141 | 94% | 0.944 | 73% | 0.733 | S | S | * | * | trans | -87 | 62.1 | 179.4 | -68.3 | -165.2 | 131.2 | 0 | 0 | 112.2 | ||||
| 481 | N | 44.5 | Very low | 43 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | trans | -146.2 | 89 | 176.9 | -165 | 7.8 | 0 | 0 | 0 | 115.9 | D479 | D479-N481 PolarHBondContact O-N 3.25Š| ||
| 482 | C | 34.4 | Very low | 44 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 93% | 0.926 | 72% | 0.718 | S | S | * | * | trans | -161.8 | 46.9 | 157.9 | -126.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 483 | S | 43 | Very low | 44.9 | Very low | 85 Ų | 85 | 139 Ų | 139 | 59% | 0.594 | 70% | 0.702 | S | S | * | * | trans | -141.3 | 33.7 | -178.6 | -175.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 484 | I | 48.3 | Very low | 45.4 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -147.9 | 78.9 | 170.5 | -173.6 | 164 | 0 | 0 | 0 | 113.3 | ||
| 485 | T | 44.6 | Very low | 46.2 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 90% | 0.896 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -173.3 | 12.7 | 144.3 | 42.5 | 0 | 0 | 0 | 0 | 115 | ||
| 486 | D | 44.4 | Very low | 46.8 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | trans | -147 | 83.6 | 169 | -162.8 | 19.1 | 0 | 0 | 0 | 114.4 | ||||
| 487 | K | 44.5 | Very low | 47.2 | Very low | 152 Ų | 152 | 123.4 Ų | 123.4 | 66% | 0.661 | 65% | 0.648 | S | S | * | * | trans | -136.1 | -2.2 | 167.3 | -73.2 | -172.8 | 175.2 | 168.6 | 0 | 113.6 | E489 | K487-E489 VanDerWaalsContact C-N 3.3Å; K487-E489 PolarHBondContact O-N 3.28Å | ||
| 488 | S | 45.9 | Very low | 47.7 | Very low | 71 Ų | 71 | 125.9 Ų | 125.9 | 50% | 0.497 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.3 | 3.1 | -170.7 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | R492 | S488-R492 VanDerWaalsContact O-CD 3.26Å; S488-R492 WeakPolarHBondContact O-CD 2.78Å; S488-R492 WeakPolarHBondContact O-CG 3.3Å; S488-R492 PolarHBondContact O-NE 2.88Å; S488-R492 VanDerWaalsContact O-NE 3.15Å |
| 489 | E | 47.5 | Very low | 47.9 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 52% | 0.523 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.7 | -29.1 | 173.7 | -154.6 | -173.5 | 91.5 | 0 | 0 | 113.7 | K487 R492 K493 | K487-E489 VanDerWaalsContact C-N 3.3Å; K487-E489 PolarHBondContact O-N 3.28Å; E489-R492 PolarHBondContact O-N 2.99Å; E489-K493 PolarHBondContact O-N 2.92Å; E489-K493 WeakPolarHBondContact OE1-CE 3.49Å; E489-K493 IonicContact OE1-NZ 3.15Å; E489-K493 PolarHBondContact OE1-NZ 3.46Å |
| 490 | D | 49 | Very low | 48.4 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 61% | 0.61 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -76.1 | -45.6 | -171.5 | -145.4 | 34.9 | 0 | 0 | 0 | 112 | R492 K493 D494 | D490-R492 PolarHBondContact O-N 2.77Å; D490-R492 VanDerWaalsContact O-N 3.11Å; D490-K493 WeakPolarHBondContact O-CA 3.35Å; D490-K493 WeakPolarHBondContact O-CB 3.22Å; D490-K493 PolarHBondContact O-N 2.92Å; D490-D494 PolarHBondContact O-N 3.25Å; D490-D494 VanDerWaalsContact O-N 3.15Å |
| 491 | D | 48.4 | Very low | 48.1 | Very low | 113 Ų | 113 | 119.5 Ų | 119.5 | 60% | 0.604 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -54.6 | -33.9 | 173.6 | -61.5 | -40 | 0 | 0 | 0 | 112.3 | K493 D494 L495 | D491-K493 VanDerWaalsContact C-N 3.34Å; D491-D494 PolarHBondContact O-N 3.46Å; D491-L495 WeakPolarHBondContact O-CB 3.33Å; D491-L495 WeakPolarHBondContact O-CG 3.49Å; D491-L495 PolarHBondContact O-N 2.82Å |
| 492 | R | 54.2 | Low | 48.2 | Very low | 167 Ų | 167 | 116.7 Ų | 116.7 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.9 | -30.2 | 177.3 | -64.1 | 179.1 | -179.9 | 155.6 | 3.2 | 112.4 | S488 E489 D490 K496 | S488-R492 VanDerWaalsContact O-CD 3.26Å; S488-R492 WeakPolarHBondContact O-CD 2.78Å; S488-R492 WeakPolarHBondContact O-CG 3.3Å; S488-R492 PolarHBondContact O-NE 2.88Å; S488-R492 VanDerWaalsContact O-NE 3.15Å; E489-R492 PolarHBondContact O-N 2.99Å; D490-R492 PolarHBondContact O-N 2.77Å; D490-R492 VanDerWaalsContact O-N 3.11Å; R492-K496 WeakPolarHBondContact O-CB 3.45Å; R492-K496 PolarHBondContact O-N 2.65Å |
| 493 | K | 55.2 | Low | 49 | Very low | 110 Ų | 110 | 111.8 Ų | 111.8 | 48% | 0.478 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -73.8 | -40.8 | 175.5 | -67.6 | 166.8 | -171.5 | 160.6 | 0 | 110.5 | E489 D490 D491 K496 A497 | E489-K493 PolarHBondContact O-N 2.92Å; E489-K493 WeakPolarHBondContact OE1-CE 3.49Å; E489-K493 IonicContact OE1-NZ 3.15Å; E489-K493 PolarHBondContact OE1-NZ 3.46Å; D490-K493 WeakPolarHBondContact O-CA 3.35Å; D490-K493 WeakPolarHBondContact O-CB 3.22Å; D490-K493 PolarHBondContact O-N 2.92Å; D491-K493 VanDerWaalsContact C-N 3.34Å; K493-K496 CarbonylContact O-C 3.43Å; K493-K496 PolarHBondContact O-N 3Å; K493-A497 PolarHBondContact O-N 3.17Å |
| 494 | D | 51.8 | Low | 49.3 | Very low | 121 Ų | 121 | 115 Ų | 115 | 65% | 0.647 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.2 | -39.7 | -177.5 | -146 | 40.8 | 0 | 0 | 0 | 112.1 | D490 D491 K496 A497 R498 | D490-D494 PolarHBondContact O-N 3.25Å; D490-D494 VanDerWaalsContact O-N 3.15Å; D491-D494 PolarHBondContact O-N 3.46Å; D494-K496 VanDerWaalsContact C-N 3.32Å; D494-K496 PolarHBondContact O-N 2.89Å; D494-A497 WeakPolarHBondContact O-CB 3.47Å; D494-A497 PolarHBondContact O-N 2.99Å; D494-R498 WeakPolarHBondContact O-CB 3.45Å; D494-R498 PolarHBondContact O-N 3.27Å |
| 495 | L | 52.2 | Low | 49.3 | Very low | 109 Ų | 109 | 115.1 Ų | 115.1 | 57% | 0.571 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -57 | -43.8 | 166.7 | -74.2 | 166.4 | 0 | 0 | 0 | 112 | D491 A497 R498 L499 | D491-L495 WeakPolarHBondContact O-CB 3.33Å; D491-L495 WeakPolarHBondContact O-CG 3.49Å; D491-L495 PolarHBondContact O-N 2.82Å; L495-A497 PolarHBondContact O-N 3.37Å; L495-R498 PolarHBondContact O-N 2.96Å; L495-L499 WeakPolarHBondContact O-CB 3.4Å; L495-L499 WeakPolarHBondContact O-CG 3.45Å; L495-L499 PolarHBondContact O-N 2.93Å |
| 496 | K | 48 | Very low | 49.6 | Very low | 60 Ų | 60 | 112.3 Ų | 112.3 | 26% | 0.261 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -76.4 | -3.6 | 177.1 | -162.4 | 171.6 | 178.7 | 174.3 | 0 | 113.2 | R492 K493 D494 R500 V528 T531 | R492-K496 WeakPolarHBondContact O-CB 3.45Å; R492-K496 PolarHBondContact O-N 2.65Å; K493-K496 CarbonylContact O-C 3.43Å; K493-K496 PolarHBondContact O-N 3Å; D494-K496 VanDerWaalsContact C-N 3.32Å; D494-K496 PolarHBondContact O-N 2.89Å; K496-R500 WeakPolarHBondContact O-CD 3.49Å; K496-R500 WeakPolarHBondContact O-CG 3.31Å; K496-R500 PolarHBondContact O-NH1 3.38Å; K496-V528 VanDerWaalsContact CE-CG2 3.49Å; K496-T531 PolarHBondContact NZ-OG1 2.85Å; K496-T531 VanDerWaalsContact NZ-OG1 3.16Å |
| 497 | A | 53.5 | Low | 50.2 | Low | 44 Ų | 44 | 112.5 Ų | 112.5 | 36% | 0.364 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -91.8 | -48.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110.3 | K493 D494 L495 L499 R500 T501 | K493-A497 PolarHBondContact O-N 3.17Å; D494-A497 WeakPolarHBondContact O-CB 3.47Å; D494-A497 PolarHBondContact O-N 2.99Å; L495-A497 PolarHBondContact O-N 3.37Å; A497-L499 VanDerWaalsContact C-N 3.35Å; A497-L499 PolarHBondContact O-N 2.94Å; A497-R500 WeakPolarHBondContact O-CB 3.48Å; A497-R500 PolarHBondContact O-N 3.37Å; A497-T501 PolarHBondContact O-N 2.96Å |
| 498 | R | 51 | Low | 50.6 | Low | 192 Ų | 192 | 113 Ų | 113 | 73% | 0.725 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.8 | -39.6 | -179.4 | -157.8 | 169.5 | -179.8 | -177.1 | -2.1 | 112.8 | D494 L495 R500 T501 S502 | D494-R498 WeakPolarHBondContact O-CB 3.45Å; D494-R498 PolarHBondContact O-N 3.27Å; L495-R498 PolarHBondContact O-N 2.96Å; R498-R500 VanDerWaalsContact C-N 3.29Å; R498-R500 PolarHBondContact O-N 3.25Å; R498-T501 PolarHBondContact O-N 2.99Å; R498-T501 PolarHBondContact O-OG1 2.96Å; R498-S502 PolarHBondContact O-OG 3.46Å |
| 499 | L | 50.2 | Low | 51.3 | Low | 104 Ų | 104 | 116 Ų | 116 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | -22.8 | 173.1 | -75.9 | 166.7 | 0 | 0 | 0 | 114.2 | L495 A497 | L495-L499 WeakPolarHBondContact O-CB 3.4Å; L495-L499 WeakPolarHBondContact O-CG 3.45Å; L495-L499 PolarHBondContact O-N 2.93Å; A497-L499 VanDerWaalsContact C-N 3.35Å; A497-L499 PolarHBondContact O-N 2.94Å |
| 500 | R | 53.4 | Low | 51.8 | Low | 139 Ų | 139 | 111.6 Ų | 111.6 | 53% | 0.525 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.6 | -17.7 | 177 | -73 | 179.1 | 174.9 | 126.8 | -18.7 | 113.1 | K496 A497 R498 | K496-R500 WeakPolarHBondContact O-CD 3.49Å; K496-R500 WeakPolarHBondContact O-CG 3.31Å; K496-R500 PolarHBondContact O-NH1 3.38Å; A497-R500 WeakPolarHBondContact O-CB 3.48Å; A497-R500 PolarHBondContact O-N 3.37Å; R498-R500 VanDerWaalsContact C-N 3.29Å; R498-R500 PolarHBondContact O-N 3.25Å |
| 501 | T | 46.4 | Very low | 52.4 | Low | 125 Ų | 125 | 113.8 Ų | 113.8 | 77% | 0.767 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -90.2 | -4 | 176.2 | 45.4 | 0 | 0 | 0 | 0 | 113.9 | A497 R498 | A497-T501 PolarHBondContact O-N 2.96Å; R498-T501 PolarHBondContact O-N 2.99Å; R498-T501 PolarHBondContact O-OG1 2.96Å |
| 502 | S | 46.9 | Very low | 53.1 | Low | 65 Ų | 65 | 116.4 Ų | 116.4 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -134.9 | 41.2 | -174.2 | 68.2 | 0 | 0 | 0 | 0 | 112.6 | R498 | R498-S502 PolarHBondContact O-OG 3.46Š|
| 503 | S | 51.2 | Low | 53.8 | Low | 34 Ų | 34 | 112.1 Ų | 112.1 | 24% | 0.238 | 57% | 0.573 | C | S | . | * | S | Bend | trans | -157 | 41.7 | -176.9 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | R525 | S503-R525 PolarHBondContact OG-NH2 3.13Š|
| 504 | L | 48.6 | Very low | 54.5 | Low | 152 Ų | 152 | 110.6 Ų | 110.6 | 80% | 0.796 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -130.1 | -8.6 | 174.6 | -71.9 | 177.3 | 0 | 0 | 0 | 114.7 | ||
| 505 | D | 48.6 | Very low | 55.3 | Low | 149 Ų | 149 | 110.6 Ų | 110.6 | 80% | 0.797 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -129.4 | -5 | -176.3 | -64.4 | -88.7 | 0 | 0 | 0 | 113.9 | ||
| 506 | D | 51 | Low | 56 | Low | 87 Ų | 87 | 113.5 Ų | 113.5 | 47% | 0.465 | 59% | 0.589 | S | S | . | * | trans | -114.9 | 83.9 | -178.7 | -51.3 | -70.8 | 0 | 0 | 0 | 111.4 | ||||
| 507 | E | 55.7 | Low | 57 | Low | 142 Ų | 142 | 115 Ų | 115 | 66% | 0.664 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -113 | -11 | 167.1 | -57.5 | -132.3 | 122.4 | 0 | 0 | 113 | R525 | E507-R525 IonicContact OE1-NH1 3.8Å; E507-R525 PolarHBondContact OE1-NH1 3.23Å; E507-R525 IonicContact OE1-NH2 2.73Å |
| 508 | D | 54.3 | Low | 57.7 | Low | 163 Ų | 163 | 116.3 Ų | 116.3 | 87% | 0.872 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -82.2 | -14.9 | 177.7 | -69.5 | -68.8 | 0 | 0 | 0 | 114.4 | ||
| 509 | D | 59.4 | Low | 58.6 | Low | 133 Ų | 133 | 109.5 Ų | 109.5 | 71% | 0.711 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -106.3 | 2.7 | -170.8 | -139.7 | 29.7 | 0 | 0 | 0 | 113.3 | E511 | D509-E511 VanDerWaalsContact C-N 3.31Å; D509-E511 PolarHBondContact O-N 3.1Å |
| 510 | D | 58.7 | Low | 59.6 | Low | 20 Ų | 20 | 111.2 Ų | 111.2 | 11% | 0.107 | 59% | 0.586 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -79.3 | -1.7 | -174.4 | -101.6 | -37.6 | 0 | 0 | 0 | 114.2 | K518 R521 | D510-K518 WeakPolarHBondContact O-CE 3.47Å; D510-K518 PolarHBondContact O-NZ 3.25Å; D510-R521 IonicContact OD1-CZ 2.65Å; D510-R521 IonicContact OD1-NH1 3.3Å; D510-R521 PolarHBondContact OD1-NH1 3.01Å; D510-R521 IonicContact OD2-CZ 2.64Å; D510-R521 IonicContact OD2-NH1 3.43Å; D510-R521 PolarHBondContact OD2-NH1 3.4Å |
| 511 | E | 61.2 | Low | 60.5 | Low | 160 Ų | 160 | 107.8 Ų | 107.8 | 75% | 0.748 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -27.7 | -172.2 | -73.4 | -61 | 99.5 | 0 | 0 | 115.3 | D509 K518 | D509-E511 VanDerWaalsContact C-N 3.31Å; D509-E511 PolarHBondContact O-N 3.1Å; E511-K518 IonicContact OE1-NZ 2.76Å; E511-K518 PolarHBondContact OE1-NZ 2.88Å |
| 512 | D | 62.6 | Low | 61.4 | Low | 169 Ų | 169 | 108.4 Ų | 108.4 | 90% | 0.904 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -95.4 | 2.5 | -179.1 | -122.4 | 0.3 | 0 | 0 | 0 | 113 | ||
| 513 | L | 68.9 | Low | 62.6 | Low | 77 Ų | 77 | 112.9 Ų | 112.9 | 40% | 0.403 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -83.1 | 139.6 | -178.7 | -66.4 | -179.1 | 0 | 0 | 0 | 112.6 | V515 | L513-V515 PolarHBondContact O-N 3.46Š|
| 514 | P | 70.9 | Confident | 63.4 | Low | 77 Ų | 77 | 113.1 Ų | 113.1 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | trans | -64.5 | 138.7 | -179.9 | 27.1 | -34.6 | 0 | 0 | 0 | 111.4 | E516 I517 K518 | P514-E516 PolarHBondContact O-N 3.31Å; P514-I517 HydrophobicContact CG-CB 4.37Å; P514-I517 HydrophobicContact CG-CD1 3.71Å; P514-I517 HydrophobicContact CG-CG1 3.98Å; P514-I517 PolarHBondContact O-N 3.41Å; P514-K518 PolarHBondContact O-N 2.92Å | ||
| 515 | V | 68.1 | Low | 64.2 | Low | 121 Ų | 121 | 110.7 Ų | 110.7 | 73% | 0.733 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -50.1 | -33.9 | -172.1 | -178.5 | 0 | 0 | 0 | 0 | 113.5 | L513 K518 A519 | L513-V515 PolarHBondContact O-N 3.46Å; V515-K518 PolarHBondContact O-N 3.45Å; V515-A519 VanDerWaalsContact O-CB 3.23Å; V515-A519 WeakPolarHBondContact O-CB 3.3Å; V515-A519 PolarHBondContact O-N 3.19Å |
| 516 | E | 68.3 | Low | 64.8 | Low | 171 Ų | 171 | 106.4 Ų | 106.4 | 80% | 0.799 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.9 | -36.5 | 179.6 | -164 | 158.9 | -149.9 | 0 | 0 | 112.8 | P514 E520 | P514-E516 PolarHBondContact O-N 3.31Å; E516-E520 WeakPolarHBondContact O-CB 3.27Å; E516-E520 PolarHBondContact O-N 2.86Å |
| 517 | I | 67.1 | Low | 65.3 | Low | 91 Ų | 91 | 107.2 Ų | 107.2 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.1 | -40.4 | 174.1 | -61.3 | -179.5 | 0 | 0 | 0 | 110.5 | P514 A519 E520 R521 | P514-I517 HydrophobicContact CG-CB 4.37Å; P514-I517 HydrophobicContact CG-CD1 3.71Å; P514-I517 HydrophobicContact CG-CG1 3.98Å; P514-I517 PolarHBondContact O-N 3.41Å; I517-A519 VanDerWaalsContact C-N 3.32Å; I517-A519 PolarHBondContact O-N 3.44Å; I517-E520 PolarHBondContact O-N 3.21Å; I517-R521 WeakPolarHBondContact O-CB 3.4Å; I517-R521 PolarHBondContact O-N 3.42Å |
| 518 | K | 68.6 | Low | 65.5 | Low | 72 Ų | 72 | 102.8 Ų | 102.8 | 31% | 0.313 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 175.6 | -157.6 | 162.1 | -175.3 | 166.3 | 0 | 110.3 | D510 E511 P514 V515 R521 E522 | D510-K518 WeakPolarHBondContact O-CE 3.47Å; D510-K518 PolarHBondContact O-NZ 3.25Å; E511-K518 IonicContact OE1-NZ 2.76Å; E511-K518 PolarHBondContact OE1-NZ 2.88Å; P514-K518 PolarHBondContact O-N 2.92Å; V515-K518 PolarHBondContact O-N 3.45Å; K518-R521 PolarHBondContact O-N 2.83Å; K518-E522 WeakPolarHBondContact O-CB 3.35Å; K518-E522 PolarHBondContact O-N 3.17Å |
| 519 | A | 70.5 | Confident | 65.7 | Low | 48 Ų | 48 | 98.4 Ų | 98.4 | 40% | 0.397 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.1 | -34.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | V515 I517 K523 | V515-A519 VanDerWaalsContact O-CB 3.23Å; V515-A519 WeakPolarHBondContact O-CB 3.3Å; V515-A519 PolarHBondContact O-N 3.19Å; I517-A519 VanDerWaalsContact C-N 3.32Å; I517-A519 PolarHBondContact O-N 3.44Å; A519-K523 WeakPolarHBondContact O-CB 3.46Å; A519-K523 PolarHBondContact O-N 3.14Å |
| 520 | E | 71.4 | Confident | 65.5 | Low | 140 Ų | 140 | 97.1 Ų | 97.1 | 65% | 0.654 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.6 | -40.9 | 173.3 | -173.5 | 166.5 | -143.2 | 0 | 0 | 112 | E516 I517 E522 K523 A524 | E516-E520 WeakPolarHBondContact O-CB 3.27Å; E516-E520 PolarHBondContact O-N 2.86Å; I517-E520 PolarHBondContact O-N 3.21Å; E520-E522 VanDerWaalsContact C-N 3.35Å; E520-E522 PolarHBondContact O-N 3.17Å; E520-K523 PolarHBondContact O-N 3.49Å; E520-A524 WeakPolarHBondContact O-CB 3.41Å; E520-A524 PolarHBondContact O-N 3.14Å |
| 521 | R | 71.2 | Confident | 65.5 | Low | 67 Ų | 67 | 98.6 Ų | 98.6 | 25% | 0.253 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 173.3 | -161.4 | 179.4 | -165.8 | -158.4 | 1.5 | 110.6 | D510 I517 K518 A524 R525 | D510-R521 IonicContact OD1-CZ 2.65Å; D510-R521 IonicContact OD1-NH1 3.3Å; D510-R521 PolarHBondContact OD1-NH1 3.01Å; D510-R521 IonicContact OD2-CZ 2.64Å; D510-R521 IonicContact OD2-NH1 3.43Å; D510-R521 PolarHBondContact OD2-NH1 3.4Å; I517-R521 WeakPolarHBondContact O-CB 3.4Å; I517-R521 PolarHBondContact O-N 3.42Å; K518-R521 PolarHBondContact O-N 2.83Å; R521-A524 PolarHBondContact O-N 3.3Å; R521-R525 WeakPolarHBondContact O-CG 3.34Å; R521-R525 PolarHBondContact O-N 2.75Å |
| 522 | E | 67.1 | Low | 65.3 | Low | 139 Ų | 139 | 93.3 Ų | 93.3 | 65% | 0.65 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.4 | -45.9 | 174.7 | -171.2 | -177.3 | 174.6 | 0 | 0 | 112.2 | K518 E520 A524 R525 S526 | K518-E522 WeakPolarHBondContact O-CB 3.35Å; K518-E522 PolarHBondContact O-N 3.17Å; E520-E522 VanDerWaalsContact C-N 3.35Å; E520-E522 PolarHBondContact O-N 3.17Å; E522-A524 VanDerWaalsContact C-N 3.29Å; E522-A524 PolarHBondContact O-N 3.29Å; E522-R525 PolarHBondContact O-N 2.86Å; E522-S526 VanDerWaalsContact O-CB 3.31Å; E522-S526 WeakPolarHBondContact O-CB 3.42Å; E522-S526 PolarHBondContact O-N 2.98Å |
| 523 | K | 70.6 | Confident | 65.2 | Low | 158 Ų | 158 | 92.6 Ų | 92.6 | 69% | 0.687 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.2 | -35.2 | 176 | -174.7 | -178.9 | -179.8 | -176.1 | 0 | 112 | A519 E520 L527 | A519-K523 WeakPolarHBondContact O-CB 3.46Å; A519-K523 PolarHBondContact O-N 3.14Å; E520-K523 PolarHBondContact O-N 3.49Å; K523-L527 WeakPolarHBondContact O-CB 3.34Å; K523-L527 PolarHBondContact O-N 3.4Å |
| 524 | A | 68.1 | Low | 65.1 | Low | 40 Ų | 40 | 95.9 Ų | 95.9 | 33% | 0.331 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -45.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E520 R521 E522 L527 V528 | E520-A524 WeakPolarHBondContact O-CB 3.41Å; E520-A524 PolarHBondContact O-N 3.14Å; R521-A524 PolarHBondContact O-N 3.3Å; E522-A524 VanDerWaalsContact C-N 3.29Å; E522-A524 PolarHBondContact O-N 3.29Å; A524-L527 PolarHBondContact O-N 3.2Å; A524-V528 WeakPolarHBondContact O-CG2 3.41Å; A524-V528 PolarHBondContact O-N 3.12Å |
| 525 | R | 66.4 | Low | 65.2 | Low | 100 Ų | 100 | 94.3 Ų | 94.3 | 38% | 0.377 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.7 | -47 | 172.6 | -72.8 | 173.9 | 176.8 | -168 | -0.9 | 110.8 | S503 E507 R521 E522 V528 S529 | S503-R525 PolarHBondContact OG-NH2 3.13Å; E507-R525 IonicContact OE1-NH1 3.8Å; E507-R525 PolarHBondContact OE1-NH1 3.23Å; E507-R525 IonicContact OE1-NH2 2.73Å; R521-R525 WeakPolarHBondContact O-CG 3.34Å; R521-R525 PolarHBondContact O-N 2.75Å; E522-R525 PolarHBondContact O-N 2.86Å; R525-V528 WeakPolarHBondContact O-CB 3.33Å; R525-V528 PolarHBondContact O-N 3.02Å; R525-S529 PolarHBondContact O-N 3.49Å; R525-S529 VanDerWaalsContact O-N 3.09Å |
| 526 | S | 61.2 | Low | 66 | Low | 59 Ų | 59 | 92.3 Ų | 92.3 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 176.5 | -179.3 | 0 | 0 | 0 | 0 | 112.6 | E522 V528 S529 L530 | E522-S526 VanDerWaalsContact O-CB 3.31Å; E522-S526 WeakPolarHBondContact O-CB 3.42Å; E522-S526 PolarHBondContact O-N 2.98Å; S526-V528 VanDerWaalsContact C-N 3.28Å; S526-V528 PolarHBondContact O-N 3.45Å; S526-S529 WeakPolarHBondContact O-CB 3.49Å; S526-S529 PolarHBondContact O-N 3.09Å; S526-L530 WeakPolarHBondContact O-CG 3.48Å; S526-L530 PolarHBondContact O-N 3.47Å |
| 527 | L | 60.3 | Low | 66.9 | Low | 104 Ų | 104 | 88.4 Ų | 88.4 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.3 | -29.9 | 175.3 | -174 | 66.7 | 0 | 0 | 0 | 112.5 | K523 A524 T531 | K523-L527 WeakPolarHBondContact O-CB 3.34Å; K523-L527 PolarHBondContact O-N 3.4Å; A524-L527 PolarHBondContact O-N 3.2Å; L527-T531 VanDerWaalsContact O-CG2 3.31Å; L527-T531 WeakPolarHBondContact O-CG2 3.46Å; L527-T531 PolarHBondContact O-N 3.09Å; L527-T531 PolarHBondContact O-OG1 2.96Å |
| 528 | V | 61.5 | Low | 68 | Low | 49 Ų | 49 | 91.2 Ų | 91.2 | 30% | 0.297 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -48.6 | 170 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | K496 A524 R525 S526 T531 | K496-V528 VanDerWaalsContact CE-CG2 3.49Å; A524-V528 WeakPolarHBondContact O-CG2 3.41Å; A524-V528 PolarHBondContact O-N 3.12Å; R525-V528 WeakPolarHBondContact O-CB 3.33Å; R525-V528 PolarHBondContact O-N 3.02Å; S526-V528 VanDerWaalsContact C-N 3.28Å; S526-V528 PolarHBondContact O-N 3.45Å; V528-T531 CarbonylContact O-C 3.53Å; V528-T531 PolarHBondContact O-N 2.9Å; V528-T531 PolarHBondContact O-OG1 3.34Å |
| 529 | S | 57.6 | Low | 69.1 | Low | 71 Ų | 71 | 92.2 Ų | 92.2 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | -178.3 | -153.1 | 0 | 0 | 0 | 0 | 113 | R525 S526 T531 D532 E533 | R525-S529 PolarHBondContact O-N 3.49Å; R525-S529 VanDerWaalsContact O-N 3.09Å; S526-S529 WeakPolarHBondContact O-CB 3.49Å; S526-S529 PolarHBondContact O-N 3.09Å; S529-T531 PolarHBondContact O-N 3.46Å; S529-D532 WeakPolarHBondContact O-CA 3.35Å; S529-D532 PolarHBondContact O-N 3.05Å; S529-E533 PolarHBondContact O-N 3.49Å; S529-E533 VanDerWaalsContact O-N 3.07Å |
| 530 | L | 56.3 | Low | 70.1 | Confident | 106 Ų | 106 | 94.5 Ų | 94.5 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.6 | -27.7 | 175.9 | -68 | 165.9 | 0 | 0 | 0 | 112.3 | S526 D532 N534 | S526-L530 WeakPolarHBondContact O-CG 3.48Å; S526-L530 PolarHBondContact O-N 3.47Å; L530-D532 VanDerWaalsContact C-N 3.26Å; L530-D532 PolarHBondContact O-N 2.71Å; L530-N534 PolarHBondContact O-N 3.34Å |
| 531 | T | 57.6 | Low | 71.2 | Confident | 52 Ų | 52 | 93 Ų | 93 | 32% | 0.319 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -85.4 | 17.9 | 171.1 | 62.7 | 0 | 0 | 0 | 0 | 114.8 | K496 L527 V528 S529 L535 R543 | K496-T531 PolarHBondContact NZ-OG1 2.85Å; K496-T531 VanDerWaalsContact NZ-OG1 3.16Å; L527-T531 VanDerWaalsContact O-CG2 3.31Å; L527-T531 WeakPolarHBondContact O-CG2 3.46Å; L527-T531 PolarHBondContact O-N 3.09Å; L527-T531 PolarHBondContact O-OG1 2.96Å; V528-T531 CarbonylContact O-C 3.53Å; V528-T531 PolarHBondContact O-N 2.9Å; V528-T531 PolarHBondContact O-OG1 3.34Å; S529-T531 PolarHBondContact O-N 3.46Å; T531-L535 WeakPolarHBondContact O-CD1 3.32Å; T531-R543 PolarHBondContact O-NH1 3.2Å; T531-R543 PolarHBondContact O-NH2 3.15Å |
| 532 | D | 57.7 | Low | 72.3 | Confident | 49 Ų | 49 | 93.7 Ų | 93.7 | 26% | 0.262 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -126.2 | -27.7 | 167.3 | -151.6 | 74.3 | 0 | 0 | 0 | 111.8 | S529 L530 K540 R543 | S529-D532 WeakPolarHBondContact O-CA 3.35Å; S529-D532 PolarHBondContact O-N 3.05Å; L530-D532 VanDerWaalsContact C-N 3.26Å; L530-D532 PolarHBondContact O-N 2.71Å; D532-K540 VanDerWaalsContact OD2-CE 3.24Å; D532-K540 WeakPolarHBondContact OD2-CE 3.41Å; D532-K540 IonicContact OD2-NZ 3.72Å; D532-K540 PolarHBondContact OD2-NZ 2.87Å; D532-R543 IonicContact OD1-CZ 3.55Å; D532-R543 IonicContact OD1-NH1 3.53Å; D532-R543 PolarHBondContact OD1-NH1 3.13Å |
| 533 | E | 59.7 | Low | 73.5 | Confident | 153 Ų | 153 | 92.2 Ų | 92.2 | 72% | 0.715 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.7 | -38.7 | 171 | -67.1 | -75 | 110.7 | 0 | 0 | 113 | S529 L535 | S529-E533 PolarHBondContact O-N 3.49Å; S529-E533 VanDerWaalsContact O-N 3.07Å; E533-L535 VanDerWaalsContact C-N 3.33Å; E533-L535 PolarHBondContact O-N 3.31Å |
| 534 | N | 66.9 | Low | 74.7 | Confident | 147 Ų | 147 | 86.6 Ų | 86.6 | 79% | 0.786 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 32.4 | -178.6 | -158.7 | 101.9 | 0 | 0 | 0 | 112.7 | L530 | L530-N534 PolarHBondContact O-N 3.34Š|
| 535 | L | 73.8 | Confident | 76.1 | Confident | 44 Ų | 44 | 88.7 Ų | 88.7 | 23% | 0.23 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -107.2 | 142.1 | 173.5 | -67.2 | -179.9 | 0 | 0 | 0 | 111 | T531 E533 E539 R543 | T531-L535 WeakPolarHBondContact O-CD1 3.32Å; E533-L535 VanDerWaalsContact C-N 3.33Å; E533-L535 PolarHBondContact O-N 3.31Å; L535-E539 HydrophobicContact CB-CB 4.19Å; L535-E539 HydrophobicContact CD2-CB 4.2Å; L535-R543 VanDerWaalsContact CD1-NH1 3.35Å |
| 536 | T | 84.6 | Confident | 77.5 | Confident | 78 Ų | 78 | 87.5 Ų | 87.5 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | trans | -63.1 | 156.2 | 167.5 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | E538 E539 K540 | T536-E538 PolarHBondContact O-N 3.42Å; T536-E539 WeakPolarHBondContact CB-OE2 3.42Å; T536-E539 WeakPolarHBondContact CG2-OE2 3.37Å; T536-E539 PolarHBondContact N-OE2 3.14Å; T536-E539 PolarHBondContact O-N 3.07Å; T536-E539 VanDerWaalsContact OG1-CG 3.27Å; T536-E539 WeakPolarHBondContact OG1-CG 3.26Å; T536-E539 PolarHBondContact OG1-N 3.36Å; T536-E539 PolarHBondContact OG1-OE2 3.42Å; T536-K540 PolarHBondContact O-N 3.17Å | ||
| 537 | A | 86.9 | Confident | 79.3 | Confident | 89 Ų | 89 | 92.6 Ų | 92.6 | 74% | 0.736 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -57.1 | -34.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K540 E541 | A537-K540 PolarHBondContact O-N 3.32Å; A537-E541 PolarHBondContact O-N 3.02Å |
| 538 | E | 89.6 | Confident | 81.1 | Confident | 150 Ų | 150 | 95 Ų | 95 | 70% | 0.701 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67 | -45.4 | 176.5 | -174.5 | 174.6 | -173.8 | 0 | 0 | 112.4 | T536 K540 E541 Q542 | T536-E538 PolarHBondContact O-N 3.42Å; E538-K540 VanDerWaalsContact C-N 3.29Å; E538-K540 PolarHBondContact O-N 3.29Å; E538-E541 PolarHBondContact O-N 3.31Å; E538-Q542 WeakPolarHBondContact O-CB 3.39Å; E538-Q542 PolarHBondContact O-N 3.32Å |
| 539 | E | 92.3 | Very high | 82.8 | Confident | 94 Ų | 94 | 98.2 Ų | 98.2 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -35.7 | 174.6 | -72.1 | 165.9 | 111 | 0 | 0 | 112.2 | L535 T536 Q542 R543 | L535-E539 HydrophobicContact CB-CB 4.19Å; L535-E539 HydrophobicContact CD2-CB 4.2Å; T536-E539 WeakPolarHBondContact CB-OE2 3.42Å; T536-E539 WeakPolarHBondContact CG2-OE2 3.37Å; T536-E539 PolarHBondContact N-OE2 3.14Å; T536-E539 PolarHBondContact O-N 3.07Å; T536-E539 VanDerWaalsContact OG1-CG 3.27Å; T536-E539 WeakPolarHBondContact OG1-CG 3.26Å; T536-E539 PolarHBondContact OG1-N 3.36Å; T536-E539 PolarHBondContact OG1-OE2 3.42Å; E539-Q542 PolarHBondContact O-N 2.96Å; E539-R543 WeakPolarHBondContact O-CB 3.22Å; E539-R543 PolarHBondContact O-N 3.36Å |
| 540 | K | 91.2 | Very high | 84.8 | Confident | 95 Ų | 95 | 97 Ų | 97 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 175.6 | -163.6 | 163.9 | -165.4 | 139.8 | 0 | 111.5 | D532 T536 A537 E538 E544 | D532-K540 VanDerWaalsContact OD2-CE 3.24Å; D532-K540 WeakPolarHBondContact OD2-CE 3.41Å; D532-K540 IonicContact OD2-NZ 3.72Å; D532-K540 PolarHBondContact OD2-NZ 2.87Å; T536-K540 PolarHBondContact O-N 3.17Å; A537-K540 PolarHBondContact O-N 3.32Å; E538-K540 VanDerWaalsContact C-N 3.29Å; E538-K540 PolarHBondContact O-N 3.29Å; K540-E544 WeakPolarHBondContact O-CB 3.24Å; K540-E544 PolarHBondContact O-N 2.88Å |
| 541 | E | 93.9 | Very high | 86.8 | Confident | 109 Ų | 109 | 96.5 Ų | 96.5 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69 | -39.1 | 173.3 | -157.2 | -147.6 | 119.3 | 0 | 0 | 112.1 | A537 E538 E544 R545 | A537-E541 PolarHBondContact O-N 3.02Å; E538-E541 PolarHBondContact O-N 3.31Å; E541-E544 PolarHBondContact O-N 3.41Å; E541-R545 WeakPolarHBondContact O-CG 3.45Å; E541-R545 PolarHBondContact O-N 3.26Å; E541-R545 WeakPolarHBondContact OE1-CD 3.37Å; E541-R545 IonicContact OE1-CZ 3.94Å; E541-R545 IonicContact OE1-NE 2.84Å; E541-R545 PolarHBondContact OE1-NE 3.23Å; E541-R545 IonicContact OE1-NH2 3.97Å |
| 542 | Q | 94.3 | Very high | 88.7 | Confident | 81 Ų | 81 | 98 Ų | 98 | 38% | 0.379 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.8 | -51.8 | 173.4 | 179.1 | 61.5 | 49.5 | 0 | 0 | 110.8 | E538 E539 E544 R545 D546 | E538-Q542 WeakPolarHBondContact O-CB 3.39Å; E538-Q542 PolarHBondContact O-N 3.32Å; E539-Q542 PolarHBondContact O-N 2.96Å; Q542-E544 PolarHBondContact O-N 3.4Å; Q542-R545 PolarHBondContact O-N 3.06Å; Q542-R545 VanDerWaalsContact O-N 3.13Å; Q542-D546 PolarHBondContact NE2-OD1 3.06Å; Q542-D546 VanDerWaalsContact NE2-OD1 3.11Å; Q542-D546 PolarHBondContact NE2-OD2 3.45Å; Q542-D546 PolarHBondContact O-N 3.02Å |
| 543 | R | 92.8 | Very high | 90.7 | Very high | 108 Ų | 108 | 98.3 Ų | 98.3 | 41% | 0.408 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -54.9 | -38.8 | 174.1 | 177.8 | 176.5 | -72.2 | -177.8 | 0.3 | 111.9 | T531 D532 L535 E539 R547 | T531-R543 PolarHBondContact O-NH1 3.2Å; T531-R543 PolarHBondContact O-NH2 3.15Å; D532-R543 IonicContact OD1-CZ 3.55Å; D532-R543 IonicContact OD1-NH1 3.53Å; D532-R543 PolarHBondContact OD1-NH1 3.13Å; L535-R543 VanDerWaalsContact CD1-NH1 3.35Å; E539-R543 WeakPolarHBondContact O-CB 3.22Å; E539-R543 PolarHBondContact O-N 3.36Å; R543-R547 WeakPolarHBondContact O-CB 3.31Å; R543-R547 PolarHBondContact O-N 2.88Å |
| 544 | E | 95.6 | Very high | 92.5 | Very high | 41 Ų | 41 | 98.5 Ų | 98.5 | 19% | 0.192 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -71.5 | -40.9 | 177 | 173.1 | 58.7 | 177.1 | 0 | 0 | 113.1 | K540 E541 Q542 R547 R548 | K540-E544 WeakPolarHBondContact O-CB 3.24Å; K540-E544 PolarHBondContact O-N 2.88Å; E541-E544 PolarHBondContact O-N 3.41Å; Q542-E544 PolarHBondContact O-N 3.4Å; E544-R547 PolarHBondContact O-N 3.39Å; E544-R547 IonicContact OE1-CZ 3.41Å; E544-R547 IonicContact OE1-NH2 2.64Å; E544-R547 PolarHBondContact OE1-NH2 3.11Å; E544-R547 IonicContact OE2-CZ 2.99Å; E544-R547 IonicContact OE2-NE 2.72Å; E544-R547 PolarHBondContact OE2-NE 3.04Å; E544-R547 IonicContact OE2-NH2 3.63Å; E544-R547 PolarHBondContact OE2-NH2 3.4Å; E544-R548 VanDerWaalsContact O-CG 3.28Å; E544-R548 WeakPolarHBondContact O-CG 3.42Å; E544-R548 PolarHBondContact O-N 3.37Å; E544-R548 IonicContact OE1-CZ 3.58Å; E544-R548 IonicContact OE1-NE 2.77Å; E544-R548 PolarHBondContact OE1-NE 3.47Å; E544-R548 IonicContact OE1-NH2 2.69Å; E544-R548 PolarHBondContact OE1-NH2 3.15Å |
| 545 | R | 97.3 | Very high | 94.1 | Very high | 83 Ų | 83 | 95.3 Ų | 95.3 | 31% | 0.313 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 173.6 | -77 | -172.7 | -84.7 | 96.5 | -3.3 | 111 | E541 Q542 R548 L549 | E541-R545 WeakPolarHBondContact O-CG 3.45Å; E541-R545 PolarHBondContact O-N 3.26Å; E541-R545 WeakPolarHBondContact OE1-CD 3.37Å; E541-R545 IonicContact OE1-CZ 3.94Å; E541-R545 IonicContact OE1-NE 2.84Å; E541-R545 PolarHBondContact OE1-NE 3.23Å; E541-R545 IonicContact OE1-NH2 3.97Å; Q542-R545 PolarHBondContact O-N 3.06Å; Q542-R545 VanDerWaalsContact O-N 3.13Å; R545-R548 WeakPolarHBondContact O-CB 3.47Å; R545-R548 PolarHBondContact O-N 2.98Å; R545-L549 WeakPolarHBondContact O-CB 3.48Å; R545-L549 VanDerWaalsContact O-CG 3.29Å; R545-L549 WeakPolarHBondContact O-CG 3.48Å; R545-L549 PolarHBondContact O-N 3.34Å |
| 546 | D | 97.2 | Very high | 95.2 | Very high | 75 Ų | 75 | 101.1 Ų | 101.1 | 40% | 0.401 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 176.8 | -65.4 | -31.2 | 0 | 0 | 0 | 112.1 | Q542 R548 L549 A550 | Q542-D546 PolarHBondContact NE2-OD1 3.06Å; Q542-D546 VanDerWaalsContact NE2-OD1 3.11Å; Q542-D546 PolarHBondContact NE2-OD2 3.45Å; Q542-D546 PolarHBondContact O-N 3.02Å; D546-R548 VanDerWaalsContact C-N 3.32Å; D546-R548 PolarHBondContact O-N 3.41Å; D546-L549 PolarHBondContact O-N 2.9Å; D546-A550 WeakPolarHBondContact O-CB 3.1Å; D546-A550 PolarHBondContact O-N 3.38Å |
| 547 | R | 97.6 | Very high | 95.9 | Very high | 166 Ų | 166 | 100.3 Ų | 100.3 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.2 | -45 | 171.3 | -172.8 | 178.4 | 72.8 | 147 | 2.6 | 111.5 | R543 E544 N551 | R543-R547 WeakPolarHBondContact O-CB 3.31Å; R543-R547 PolarHBondContact O-N 2.88Å; E544-R547 PolarHBondContact O-N 3.39Å; E544-R547 IonicContact OE1-CZ 3.41Å; E544-R547 IonicContact OE1-NH2 2.64Å; E544-R547 PolarHBondContact OE1-NH2 3.11Å; E544-R547 IonicContact OE2-CZ 2.99Å; E544-R547 IonicContact OE2-NE 2.72Å; E544-R547 PolarHBondContact OE2-NE 3.04Å; E544-R547 IonicContact OE2-NH2 3.63Å; E544-R547 PolarHBondContact OE2-NH2 3.4Å; R547-N551 WeakPolarHBondContact O-CB 3.34Å; R547-N551 PolarHBondContact O-N 3.47Å; R547-N551 VanDerWaalsContact O-N 3.1Å |
| 548 | R | 98.3 | Very high | 96.5 | Very high | 155 Ų | 155 | 102.6 Ų | 102.6 | 59% | 0.585 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.9 | -45.3 | 176.7 | -70.7 | 169.9 | -172.1 | 178.5 | 7.4 | 111.7 | E544 R545 D546 N551 N552 | E544-R548 VanDerWaalsContact O-CG 3.28Å; E544-R548 WeakPolarHBondContact O-CG 3.42Å; E544-R548 PolarHBondContact O-N 3.37Å; E544-R548 IonicContact OE1-CZ 3.58Å; E544-R548 IonicContact OE1-NE 2.77Å; E544-R548 PolarHBondContact OE1-NE 3.47Å; E544-R548 IonicContact OE1-NH2 2.69Å; E544-R548 PolarHBondContact OE1-NH2 3.15Å; R545-R548 WeakPolarHBondContact O-CB 3.47Å; R545-R548 PolarHBondContact O-N 2.98Å; D546-R548 VanDerWaalsContact C-N 3.32Å; D546-R548 PolarHBondContact O-N 3.41Å; R548-N551 PolarHBondContact O-N 2.87Å; R548-N552 WeakPolarHBondContact O-CB 3.33Å; R548-N552 PolarHBondContact O-N 3.1Å |
| 549 | L | 98.1 | Very high | 96.9 | Very high | 117 Ų | 117 | 98.1 Ų | 98.1 | 61% | 0.613 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.8 | -47.9 | 179 | -73.7 | 170.5 | 0 | 0 | 0 | 112 | R545 D546 N551 N552 A553 | R545-L549 WeakPolarHBondContact O-CB 3.48Å; R545-L549 VanDerWaalsContact O-CG 3.29Å; R545-L549 WeakPolarHBondContact O-CG 3.48Å; R545-L549 PolarHBondContact O-N 3.34Å; D546-L549 PolarHBondContact O-N 2.9Å; L549-N551 VanDerWaalsContact C-N 3.31Å; L549-N551 PolarHBondContact O-N 3.41Å; L549-N552 WeakPolarHBondContact O-CB 3.37Å; L549-N552 PolarHBondContact O-N 2.8Å; L549-A553 PolarHBondContact O-N 3.31Å |
| 550 | A | 98.1 | Very high | 97.2 | Very high | 46 Ų | 46 | 100.5 Ų | 100.5 | 38% | 0.38 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D546 A553 R554 | D546-A550 WeakPolarHBondContact O-CB 3.1Å; D546-A550 PolarHBondContact O-N 3.38Å; A550-A553 PolarHBondContact O-N 2.64Å; A550-R554 WeakPolarHBondContact O-CG 3.43Å; A550-R554 PolarHBondContact O-N 3.3Å; A550-R554 VanDerWaalsContact O-N 3.07Å |
| 551 | N | 98.6 | Very high | 97.6 | Very high | 95 Ų | 95 | 100.1 Ų | 100.1 | 51% | 0.508 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 175.7 | -153.4 | 20.1 | 0 | 0 | 0 | 112 | R547 R548 L549 A553 R554 E555 | R547-N551 WeakPolarHBondContact O-CB 3.34Å; R547-N551 PolarHBondContact O-N 3.47Å; R547-N551 VanDerWaalsContact O-N 3.1Å; R548-N551 PolarHBondContact O-N 2.87Å; L549-N551 VanDerWaalsContact C-N 3.31Å; L549-N551 PolarHBondContact O-N 3.41Å; N551-A553 VanDerWaalsContact C-N 3.3Å; N551-A553 PolarHBondContact O-N 3.01Å; N551-R554 PolarHBondContact O-N 2.73Å; N551-R554 PolarHBondContact OD1-NH2 2.91Å; N551-E555 PolarHBondContact O-N 3.37Å |
| 552 | N | 98.8 | Very high | 97.8 | Very high | 84 Ų | 84 | 97.8 Ų | 97.8 | 45% | 0.449 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 174.2 | -130.8 | -100.5 | 0 | 0 | 0 | 112 | R548 L549 R556 | R548-N552 WeakPolarHBondContact O-CB 3.33Å; R548-N552 PolarHBondContact O-N 3.1Å; L549-N552 WeakPolarHBondContact O-CB 3.37Å; L549-N552 PolarHBondContact O-N 2.8Å; N552-R556 WeakPolarHBondContact O-CB 3.43Å; N552-R556 WeakPolarHBondContact O-CD 3.46Å; N552-R556 WeakPolarHBondContact O-CG 3.17Å; N552-R556 PolarHBondContact O-N 3.15Å; N552-R556 PolarHBondContact OD1-NE 3.4Å; N552-R556 VanDerWaalsContact OD1-NE 3.13Å; N552-R556 PolarHBondContact OD1-NH2 2.87Å |
| 553 | A | 98.8 | Very high | 98 | Very high | 54 Ų | 54 | 96.6 Ų | 96.6 | 45% | 0.446 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L549 A550 N551 R556 V557 | L549-A553 PolarHBondContact O-N 3.31Å; A550-A553 PolarHBondContact O-N 2.64Å; N551-A553 VanDerWaalsContact C-N 3.3Å; N551-A553 PolarHBondContact O-N 3.01Å; A553-R556 PolarHBondContact O-N 3.4Å; A553-V557 PolarHBondContact O-N 3.38Å |
| 554 | R | 98.8 | Very high | 98.3 | Very high | 157 Ų | 157 | 96.6 Ų | 96.6 | 59% | 0.592 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.2 | -45.9 | 176 | -71.3 | -173.8 | -62.9 | -126.8 | 2.6 | 112.3 | A550 N551 R556 V557 R558 | A550-R554 WeakPolarHBondContact O-CG 3.43Å; A550-R554 PolarHBondContact O-N 3.3Å; A550-R554 VanDerWaalsContact O-N 3.07Å; N551-R554 PolarHBondContact O-N 2.73Å; N551-R554 PolarHBondContact OD1-NH2 2.91Å; R554-R556 VanDerWaalsContact C-N 3.33Å; R554-R556 PolarHBondContact O-N 2.87Å; R554-V557 PolarHBondContact O-N 3.19Å; R554-V557 VanDerWaalsContact O-N 3.14Å; R554-R558 PolarHBondContact O-N 3.26Å |
| 555 | E | 98.7 | Very high | 98.5 | Very high | 80 Ų | 80 | 97.7 Ų | 97.7 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.3 | -34.6 | 179.2 | -177.1 | 59.4 | -170.6 | 0 | 0 | 112.3 | N551 V557 R558 V559 | N551-E555 PolarHBondContact O-N 3.37Å; E555-V557 VanDerWaalsContact C-N 3.29Å; E555-V557 PolarHBondContact O-N 2.78Å; E555-R558 PolarHBondContact O-N 3.13Å; E555-R558 IonicContact OE1-CZ 3.46Å; E555-R558 IonicContact OE1-NE 3.14Å; E555-R558 IonicContact OE1-NH2 2.82Å; E555-R558 PolarHBondContact OE1-NH2 3.42Å; E555-R558 IonicContact OE2-CZ 2.75Å; E555-R558 IonicContact OE2-NE 3.95Å; E555-R558 PolarHBondContact OE2-NE 2.72Å; E555-R558 IonicContact OE2-NH2 2.76Å; E555-R558 PolarHBondContact OE2-NH2 2.88Å; E555-V559 HydrophobicContact CG-CG2 4.24Å; E555-V559 WeakPolarHBondContact O-CB 3.35Å; E555-V559 VanDerWaalsContact O-CG2 3.29Å; E555-V559 WeakPolarHBondContact O-CG2 3.24Å; E555-V559 PolarHBondContact O-N 2.96Å; E555-V559 WeakPolarHBondContact OE1-CG2 3.44Å |
| 556 | R | 98.8 | Very high | 98.5 | Very high | 167 Ų | 167 | 95.7 Ų | 95.7 | 63% | 0.63 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64 | -31.4 | 172.9 | -73.2 | 168.3 | -165.2 | -156.1 | 5 | 113 | N552 A553 R554 R560 | N552-R556 WeakPolarHBondContact O-CB 3.43Å; N552-R556 WeakPolarHBondContact O-CD 3.46Å; N552-R556 WeakPolarHBondContact O-CG 3.17Å; N552-R556 PolarHBondContact O-N 3.15Å; N552-R556 PolarHBondContact OD1-NE 3.4Å; N552-R556 VanDerWaalsContact OD1-NE 3.13Å; N552-R556 PolarHBondContact OD1-NH2 2.87Å; A553-R556 PolarHBondContact O-N 3.4Å; R554-R556 VanDerWaalsContact C-N 3.33Å; R554-R556 PolarHBondContact O-N 2.87Å; R556-R560 WeakPolarHBondContact O-CB 3.34Å; R556-R560 PolarHBondContact O-N 2.95Å |
| 557 | V | 98.8 | Very high | 98.6 | Very high | 61 Ų | 61 | 98.5 Ų | 98.5 | 37% | 0.37 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71.2 | -55.1 | 171.4 | 175.2 | 0 | 0 | 0 | 0 | 109.5 | A553 R554 E555 V559 R560 D561 | A553-V557 PolarHBondContact O-N 3.38Å; R554-V557 PolarHBondContact O-N 3.19Å; R554-V557 VanDerWaalsContact O-N 3.14Å; E555-V557 VanDerWaalsContact C-N 3.29Å; E555-V557 PolarHBondContact O-N 2.78Å; V557-V559 VanDerWaalsContact C-N 3.26Å; V557-V559 PolarHBondContact O-N 3.11Å; V557-V559 VanDerWaalsContact O-N 3.13Å; V557-R560 WeakPolarHBondContact O-CA 3.38Å; V557-R560 VanDerWaalsContact O-CB 3.24Å; V557-R560 WeakPolarHBondContact O-CB 3.43Å; V557-R560 PolarHBondContact O-N 3.29Å; V557-D561 WeakPolarHBondContact CG1-OD2 3.47Å; V557-D561 PolarHBondContact O-N 2.88Å |
| 558 | R | 98.8 | Very high | 98.6 | Very high | 137 Ų | 137 | 94.6 Ų | 94.6 | 52% | 0.517 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -52.3 | -42.5 | 179 | -163.8 | -175.1 | 72.9 | 104.6 | 2.6 | 113.1 | R554 E555 D561 I562 | R554-R558 PolarHBondContact O-N 3.26Å; E555-R558 PolarHBondContact O-N 3.13Å; E555-R558 IonicContact OE1-CZ 3.46Å; E555-R558 IonicContact OE1-NE 3.14Å; E555-R558 IonicContact OE1-NH2 2.82Å; E555-R558 PolarHBondContact OE1-NH2 3.42Å; E555-R558 IonicContact OE2-CZ 2.75Å; E555-R558 IonicContact OE2-NE 3.95Å; E555-R558 PolarHBondContact OE2-NE 2.72Å; E555-R558 IonicContact OE2-NH2 2.76Å; E555-R558 PolarHBondContact OE2-NH2 2.88Å; R558-D561 PolarHBondContact O-N 2.86Å; R558-I562 HydrophobicContact CG-CD1 4.14Å; R558-I562 WeakPolarHBondContact O-CB 3.39Å; R558-I562 WeakPolarHBondContact O-CD1 3.42Å; R558-I562 VanDerWaalsContact O-CG1 3.24Å; R558-I562 WeakPolarHBondContact O-CG1 3.48Å; R558-I562 PolarHBondContact O-N 2.98Å |
| 559 | V | 98.9 | Very high | 98.6 | Very high | 56 Ų | 56 | 90.1 Ų | 90.1 | 34% | 0.339 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.3 | -34.8 | 176.6 | 170.4 | 0 | 0 | 0 | 0 | 112.4 | E555 V557 N563 | E555-V559 HydrophobicContact CG-CG2 4.24Å; E555-V559 WeakPolarHBondContact O-CB 3.35Å; E555-V559 VanDerWaalsContact O-CG2 3.29Å; E555-V559 WeakPolarHBondContact O-CG2 3.24Å; E555-V559 PolarHBondContact O-N 2.96Å; E555-V559 WeakPolarHBondContact OE1-CG2 3.44Å; V557-V559 VanDerWaalsContact C-N 3.26Å; V557-V559 PolarHBondContact O-N 3.11Å; V557-V559 VanDerWaalsContact O-N 3.13Å; V559-N563 VanDerWaalsContact O-CB 3.31Å; V559-N563 WeakPolarHBondContact O-CB 3.29Å; V559-N563 PolarHBondContact O-N 2.98Å; V559-N563 PolarHBondContact O-ND2 3.24Å; V559-N563 VanDerWaalsContact O-ND2 3.09Å; V559-N563 PolarHBondContact O-OD1 3.39Å |
| 560 | R | 98.7 | Very high | 98.6 | Very high | 144 Ų | 144 | 84.5 Ų | 84.5 | 54% | 0.543 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 173.2 | -175.3 | -162.1 | -57.4 | 152.9 | 1.6 | 110.7 | R556 V557 N563 E564 | R556-R560 WeakPolarHBondContact O-CB 3.34Å; R556-R560 PolarHBondContact O-N 2.95Å; V557-R560 WeakPolarHBondContact O-CA 3.38Å; V557-R560 VanDerWaalsContact O-CB 3.24Å; V557-R560 WeakPolarHBondContact O-CB 3.43Å; V557-R560 PolarHBondContact O-N 3.29Å; R560-N563 CarbonylContact O-C 3.36Å; R560-N563 WeakPolarHBondContact O-CA 3.49Å; R560-N563 WeakPolarHBondContact O-CB 3.26Å; R560-N563 PolarHBondContact O-N 3.49Å; R560-N563 VanDerWaalsContact O-N 3.09Å; R560-E564 PolarHBondContact O-N 3.35Å |
| 561 | D | 98.8 | Very high | 98.6 | Very high | 86 Ų | 86 | 89.8 Ų | 89.8 | 46% | 0.46 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | -175.3 | -50 | -22.6 | 0 | 0 | 0 | 110.5 | V557 R558 N563 E564 A565 | V557-D561 WeakPolarHBondContact CG1-OD2 3.47Å; V557-D561 PolarHBondContact O-N 2.88Å; R558-D561 PolarHBondContact O-N 2.86Å; D561-N563 VanDerWaalsContact C-N 3.3Å; D561-N563 PolarHBondContact O-N 3.26Å; D561-E564 WeakPolarHBondContact O-CA 3.07Å; D561-E564 WeakPolarHBondContact O-CB 3.34Å; D561-E564 PolarHBondContact O-N 3.33Å; D561-A565 PolarHBondContact O-N 2.86Å |
| 562 | I | 98.8 | Very high | 98.6 | Very high | 61 Ų | 61 | 90.2 Ų | 90.2 | 31% | 0.313 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 168.5 | -70.6 | 165.8 | 0 | 0 | 0 | 110.9 | R558 E564 F566 | R558-I562 HydrophobicContact CG-CD1 4.14Å; R558-I562 WeakPolarHBondContact O-CB 3.39Å; R558-I562 WeakPolarHBondContact O-CD1 3.42Å; R558-I562 VanDerWaalsContact O-CG1 3.24Å; R558-I562 WeakPolarHBondContact O-CG1 3.48Å; R558-I562 PolarHBondContact O-N 2.98Å; I562-E564 PolarHBondContact O-N 2.82Å; I562-F566 HydrophobicContact CG2-CD2 3.88Å; I562-F566 HydrophobicContact CG2-CE2 4.06Å; I562-F566 WeakPolarHBondContact O-CB 3.47Å; I562-F566 WeakPolarHBondContact O-CD2 3.43Å; I562-F566 PolarHBondContact O-N 2.84Å |
| 563 | N | 98.7 | Very high | 98.6 | Very high | 56 Ų | 56 | 86.4 Ų | 86.4 | 30% | 0.299 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.2 | -19.1 | 175.9 | -68.6 | -22.7 | 0 | 0 | 0 | 113.1 | V559 R560 D561 R567 K585 | V559-N563 VanDerWaalsContact O-CB 3.31Å; V559-N563 WeakPolarHBondContact O-CB 3.29Å; V559-N563 PolarHBondContact O-N 2.98Å; V559-N563 PolarHBondContact O-ND2 3.24Å; V559-N563 VanDerWaalsContact O-ND2 3.09Å; V559-N563 PolarHBondContact O-OD1 3.39Å; R560-N563 CarbonylContact O-C 3.36Å; R560-N563 WeakPolarHBondContact O-CA 3.49Å; R560-N563 WeakPolarHBondContact O-CB 3.26Å; R560-N563 PolarHBondContact O-N 3.49Å; R560-N563 VanDerWaalsContact O-N 3.09Å; D561-N563 VanDerWaalsContact C-N 3.3Å; D561-N563 PolarHBondContact O-N 3.26Å; N563-R567 WeakPolarHBondContact O-CG 3.18Å; N563-R567 PolarHBondContact O-N 3.39Å; N563-R567 PolarHBondContact O-NE 2.9Å; N563-K585 WeakPolarHBondContact OD1-CE 3.43Å; N563-K585 PolarHBondContact OD1-NZ 2.93Å |
| 564 | E | 98.8 | Very high | 98.5 | Very high | 108 Ų | 108 | 87 Ų | 87 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -79.2 | -50.6 | 172.4 | -163.3 | 124.9 | 135 | 0 | 0 | 111 | R560 D561 I562 F566 R567 E568 | R560-E564 PolarHBondContact O-N 3.35Å; D561-E564 WeakPolarHBondContact O-CA 3.07Å; D561-E564 WeakPolarHBondContact O-CB 3.34Å; D561-E564 PolarHBondContact O-N 3.33Å; I562-E564 PolarHBondContact O-N 2.82Å; E564-F566 PolarHBondContact O-N 2.76Å; E564-R567 VanDerWaalsContact CB-NH2 3.35Å; E564-R567 WeakPolarHBondContact O-CA 3.49Å; E564-R567 WeakPolarHBondContact O-CB 3.29Å; E564-R567 PolarHBondContact O-N 3.39Å; E564-R567 IonicContact OE2-CZ 2.67Å; E564-R567 IonicContact OE2-NH1 3.03Å; E564-R567 PolarHBondContact OE2-NH1 3.49Å; E564-R567 IonicContact OE2-NH2 2.73Å; E564-R567 PolarHBondContact OE2-NH2 3.21Å; E564-E568 PolarHBondContact O-N 3.37Å |
| 565 | A | 98.8 | Very high | 98.5 | Very high | 64 Ų | 64 | 84.7 Ų | 84.7 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -55.9 | -38.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D561 E568 L569 | D561-A565 PolarHBondContact O-N 2.86Å; A565-E568 PolarHBondContact O-N 3.44Å; A565-L569 WeakPolarHBondContact O-CB 3.45Å; A565-L569 PolarHBondContact O-N 3.41Å |
| 566 | F | 98.8 | Very high | 98.4 | Very high | 40 Ų | 40 | 85.8 Ų | 85.8 | 18% | 0.175 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 172.6 | -97.7 | -69.8 | 0 | 0 | 0 | 113.5 | I562 E564 E568 G570 K585 I588 L589 | I562-F566 HydrophobicContact CG2-CD2 3.88Å; I562-F566 HydrophobicContact CG2-CE2 4.06Å; I562-F566 WeakPolarHBondContact O-CB 3.47Å; I562-F566 WeakPolarHBondContact O-CD2 3.43Å; I562-F566 PolarHBondContact O-N 2.84Å; E564-F566 PolarHBondContact O-N 2.76Å; F566-E568 VanDerWaalsContact C-N 3.33Å; F566-G570 PolarHBondContact O-N 3.34Å; F566-K585 HydrophobicContact CD1-CB 4.07Å; F566-K585 HydrophobicContact CD1-CG 3.94Å; F566-K585 HydrophobicContact CD2-CD 3.96Å; F566-K585 HydrophobicContact CD2-CG 4.16Å; F566-K585 HydrophobicContact CE1-CB 3.72Å; F566-K585 HydrophobicContact CE1-CG 4.03Å; F566-K585 WeakPolarHBondContact CE1-O 3.46Å; F566-K585 HydrophobicContact CE2-CB 4.48Å; F566-K585 HydrophobicContact CE2-CD 3.9Å; F566-K585 HydrophobicContact CE2-CG 4.25Å; F566-K585 HydrophobicContact CG-CD 4.32Å; F566-K585 HydrophobicContact CG-CG 4.01Å; F566-K585 HydrophobicContact CZ-CB 3.95Å; F566-K585 HydrophobicContact CZ-CD 4.2Å; F566-K585 HydrophobicContact CZ-CG 4.19Å; F566-I588 HydrophobicContact CD1-CB 4.15Å; F566-I588 HydrophobicContact CD1-CD1 4.06Å; F566-I588 HydrophobicContact CD1-CG2 4.03Å; F566-I588 HydrophobicContact CE1-CB 4.37Å; F566-I588 HydrophobicContact CE1-CG2 4.39Å; F566-L589 HydrophobicContact CE1-CD2 3.96Å; F566-L589 HydrophobicContact CE1-CG 3.93Å; F566-L589 HydrophobicContact CZ-CD1 4.26Å; F566-L589 HydrophobicContact CZ-CD2 4.03Å; F566-L589 HydrophobicContact CZ-CG 4.11Å |
| 567 | R | 98.2 | Very high | 98.3 | Very high | 134 Ų | 134 | 80.8 Ų | 80.8 | 51% | 0.506 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 175.4 | -81.2 | 173.3 | -78 | 140.4 | -5 | 110.8 | N563 E564 G570 R571 | N563-R567 WeakPolarHBondContact O-CG 3.18Å; N563-R567 PolarHBondContact O-N 3.39Å; N563-R567 PolarHBondContact O-NE 2.9Å; E564-R567 VanDerWaalsContact CB-NH2 3.35Å; E564-R567 WeakPolarHBondContact O-CA 3.49Å; E564-R567 WeakPolarHBondContact O-CB 3.29Å; E564-R567 PolarHBondContact O-N 3.39Å; E564-R567 IonicContact OE2-CZ 2.67Å; E564-R567 IonicContact OE2-NH1 3.03Å; E564-R567 PolarHBondContact OE2-NH1 3.49Å; E564-R567 IonicContact OE2-NH2 2.73Å; E564-R567 PolarHBondContact OE2-NH2 3.21Å; R567-G570 PolarHBondContact O-N 3.2Å; R567-R571 WeakPolarHBondContact O-CG 3.38Å; R567-R571 PolarHBondContact O-N 2.95Å; R567-R571 VanDerWaalsContact O-N 3.1Å |
| 568 | E | 98.5 | Very high | 98.1 | Very high | 85 Ų | 85 | 86.4 Ų | 86.4 | 40% | 0.397 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67 | -51.2 | 179 | -164.3 | 56.6 | -148.3 | 0 | 0 | 112.6 | E564 A565 F566 G570 R571 M572 | E564-E568 PolarHBondContact O-N 3.37Å; A565-E568 PolarHBondContact O-N 3.44Å; F566-E568 VanDerWaalsContact C-N 3.33Å; E568-G570 PolarHBondContact O-N 2.97Å; E568-R571 WeakPolarHBondContact O-CB 3.49Å; E568-R571 PolarHBondContact O-N 3.19Å; E568-R571 IonicContact OE1-CZ 3.85Å; E568-R571 IonicContact OE1-NE 3.21Å; E568-R571 IonicContact OE1-NH2 3.46Å; E568-R571 PolarHBondContact OE1-NH2 2.68Å; E568-R571 IonicContact OE2-CZ 3.29Å; E568-R571 VanDerWaalsContact OE2-CZ 3.29Å; E568-R571 IonicContact OE2-NE 3.7Å; E568-R571 PolarHBondContact OE2-NE 2.78Å; E568-R571 IonicContact OE2-NH2 2.63Å; E568-R571 PolarHBondContact OE2-NH2 2.91Å; E568-M572 PolarHBondContact O-N 3.45Å |
| 569 | L | 98.6 | Very high | 97.7 | Very high | 60 Ų | 60 | 81 Ų | 81 | 31% | 0.314 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.2 | -37.5 | 176.6 | -175.9 | 60.2 | 0 | 0 | 0 | 111.4 | A565 M572 C573 I588 A592 | A565-L569 WeakPolarHBondContact O-CB 3.45Å; A565-L569 PolarHBondContact O-N 3.41Å; L569-M572 PolarHBondContact O-N 3.41Å; L569-C573 WeakPolarHBondContact O-CB 3.39Å; L569-C573 PolarHBondContact O-N 3.03Å; L569-C573 PolarHBondContact O-SG 2.98Å; L569-I588 HydrophobicContact CB-CG2 3.97Å; L569-I588 HydrophobicContact CD2-CG2 3.87Å; L569-I588 HydrophobicContact CG-CG2 3.69Å; L569-A592 HydrophobicContact CD1-CB 3.96Å; L569-A592 HydrophobicContact CD2-CB 4.1Å; L569-A592 HydrophobicContact CG-CB 4.21Å |
| 570 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.5 | -49.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F566 R567 E568 C573 Q574 Q583 | F566-G570 PolarHBondContact O-N 3.34Å; R567-G570 PolarHBondContact O-N 3.2Å; E568-G570 PolarHBondContact O-N 2.97Å; G570-C573 PolarHBondContact O-N 3.2Å; G570-Q574 WeakPolarHBondContact O-CB 3.49Å; G570-Q574 PolarHBondContact O-N 3.32Å; G570-Q583 VanDerWaalsContact C-OE1 3.29Å; G570-Q583 PolarHBondContact O-NE2 2.91Å; G570-Q583 PolarHBondContact O-OE1 3Å |
| 571 | R | 98.1 | Very high | 97.1 | Very high | 156 Ų | 156 | 85.5 Ų | 85.5 | 59% | 0.589 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.7 | -47.4 | 175.6 | -67 | -163.2 | -66 | 164.6 | -9.5 | 112 | R567 E568 C573 Q574 V575 | R567-R571 WeakPolarHBondContact O-CG 3.38Å; R567-R571 PolarHBondContact O-N 2.95Å; R567-R571 VanDerWaalsContact O-N 3.1Å; E568-R571 WeakPolarHBondContact O-CB 3.49Å; E568-R571 PolarHBondContact O-N 3.19Å; E568-R571 IonicContact OE1-CZ 3.85Å; E568-R571 IonicContact OE1-NE 3.21Å; E568-R571 IonicContact OE1-NH2 3.46Å; E568-R571 PolarHBondContact OE1-NH2 2.68Å; E568-R571 IonicContact OE2-CZ 3.29Å; E568-R571 VanDerWaalsContact OE2-CZ 3.29Å; E568-R571 IonicContact OE2-NE 3.7Å; E568-R571 PolarHBondContact OE2-NE 2.78Å; E568-R571 IonicContact OE2-NH2 2.63Å; E568-R571 PolarHBondContact OE2-NH2 2.91Å; R571-C573 VanDerWaalsContact C-N 3.32Å; R571-C573 PolarHBondContact O-N 2.67Å; R571-Q574 PolarHBondContact O-N 3.16Å; R571-V575 WeakPolarHBondContact O-CG2 3.32Å; R571-V575 PolarHBondContact O-N 2.75Å; R571-V575 VanDerWaalsContact O-N 3.1Å |
| 572 | M | 98.1 | Very high | 96.9 | Very high | 105 Ų | 105 | 86.2 Ų | 86.2 | 52% | 0.517 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 177.2 | -66.2 | -178.4 | 73 | 0 | 0 | 111.7 | E568 L569 V575 H576 | E568-M572 PolarHBondContact O-N 3.45Å; L569-M572 PolarHBondContact O-N 3.41Å; M572-V575 PolarHBondContact O-N 3.25Å; M572-H576 PolarHBondContact O-CD2 2.81Å; M572-H576 PolarHBondContact O-N 2.82Å |
| 573 | C | 98.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 86 Ų | 86 | 2% | 0.02 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 177.9 | -70.1 | 0 | 0 | 0 | 0 | 112.7 | L569 G570 R571 V575 H576 L577 Q591 A592 | L569-C573 WeakPolarHBondContact O-CB 3.39Å; L569-C573 PolarHBondContact O-N 3.03Å; L569-C573 PolarHBondContact O-SG 2.98Å; G570-C573 PolarHBondContact O-N 3.2Å; R571-C573 VanDerWaalsContact C-N 3.32Å; R571-C573 PolarHBondContact O-N 2.67Å; C573-V575 VanDerWaalsContact C-N 3.35Å; C573-V575 PolarHBondContact O-N 2.99Å; C573-H576 PolarHBondContact O-N 2.69Å; C573-L577 WeakPolarHBondContact O-CB 3.42Å; C573-L577 WeakPolarHBondContact O-CG 3.34Å; C573-L577 PolarHBondContact O-N 2.73Å; C573-Q591 HydrophobicContact CB-CB 3.92Å; C573-A592 WeakPolarHBondContact SG-CA 3.39Å; C573-A592 PolarHBondContact SG-N 2.87Å |
| 574 | Q | 97.6 | Very high | 96.7 | Very high | 66 Ų | 66 | 87.3 Ų | 87.3 | 31% | 0.308 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 178.2 | 178.8 | 171.7 | 5.5 | 0 | 0 | 111.6 | G570 R571 Q578 S579 D580 | G570-Q574 WeakPolarHBondContact O-CB 3.49Å; G570-Q574 PolarHBondContact O-N 3.32Å; R571-Q574 PolarHBondContact O-N 3.16Å; Q574-Q578 WeakPolarHBondContact O-CA 3.46Å; Q574-Q578 PolarHBondContact O-N 2.84Å; Q574-S579 PolarHBondContact O-N 2.76Å; Q574-D580 PolarHBondContact NE2-OD1 2.74Å |
| 575 | V | 96.9 | Very high | 96.7 | Very high | 110 Ų | 110 | 86.8 Ų | 86.8 | 67% | 0.667 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.1 | -47.4 | 177 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | R571 M572 C573 | R571-V575 WeakPolarHBondContact O-CG2 3.32Å; R571-V575 PolarHBondContact O-N 2.75Å; R571-V575 VanDerWaalsContact O-N 3.1Å; M572-V575 PolarHBondContact O-N 3.25Å; C573-V575 VanDerWaalsContact C-N 3.35Å; C573-V575 PolarHBondContact O-N 2.99Å |
| 576 | H | 96.8 | Very high | 96.7 | Very high | 103 Ų | 103 | 89 Ų | 89 | 48% | 0.477 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -73.2 | -26.4 | -178.5 | -78.9 | -69.3 | 0 | 0 | 0 | 114.5 | M572 C573 V595 | M572-H576 PolarHBondContact O-CD2 2.81Å; M572-H576 PolarHBondContact O-N 2.82Å; C573-H576 PolarHBondContact O-N 2.69Å; H576-V595 HydrophobicContact CB-CB 4.36Å; H576-V595 HydrophobicContact CB-CG1 3.68Å; H576-V595 HydrophobicContact CB-CG2 3.67Å |
| 577 | L | 96.3 | Very high | 96.6 | Very high | 62 Ų | 62 | 89.1 Ų | 89.1 | 33% | 0.325 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -100.1 | -4.3 | 179.7 | -66.1 | 169.7 | 0 | 0 | 0 | 114.2 | C573 S579 Q591 Q594 V595 | C573-L577 WeakPolarHBondContact O-CB 3.42Å; C573-L577 WeakPolarHBondContact O-CG 3.34Å; C573-L577 PolarHBondContact O-N 2.73Å; L577-S579 VanDerWaalsContact C-N 3.26Å; L577-S579 PolarHBondContact O-N 3.47Å; L577-Q591 HydrophobicContact CD1-CB 3.5Å; L577-Q591 VanDerWaalsContact CD1-CB 3.5Å; L577-Q591 HydrophobicContact CD1-CG 3.48Å; L577-Q591 VanDerWaalsContact CD1-CG 3.48Å; L577-Q594 HydrophobicContact CD2-CG 4.15Å; L577-V595 HydrophobicContact CD1-CG2 3.93Å; L577-V595 HydrophobicContact CD2-CG2 3.99Å; L577-V595 HydrophobicContact CG-CG2 3.61Å |
| 578 | Q | 94.9 | Very high | 96.7 | Very high | 179 Ų | 179 | 83.3 Ų | 83.3 | 84% | 0.836 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 47.1 | -175.7 | -59.3 | 179.5 | -14.6 | 0 | 0 | 111.8 | Q574 | Q574-Q578 WeakPolarHBondContact O-CA 3.46Å; Q574-Q578 PolarHBondContact O-N 2.84Å |
| 579 | S | 91.9 | Very high | 96.7 | Very high | 22 Ų | 22 | 83.4 Ų | 83.4 | 15% | 0.154 | 43% | 0.429 | C | S | . | . | trans | -127 | 92.1 | -163.3 | -147.1 | 0 | 0 | 0 | 0 | 113.9 | Q574 L577 K581 | Q574-S579 PolarHBondContact O-N 2.76Å; L577-S579 VanDerWaalsContact C-N 3.26Å; L577-S579 PolarHBondContact O-N 3.47Å; S579-K581 PolarHBondContact O-N 2.77Å | ||
| 580 | D | 92.5 | Very high | 96.6 | Very high | 143 Ų | 143 | 86 Ų | 86 | 77% | 0.765 | 44% | 0.44 | S | S | * | . | trans | -75.8 | 35.5 | 179.1 | -55.1 | -41.5 | 0 | 0 | 0 | 113.7 | Q574 | Q574-D580 PolarHBondContact NE2-OD1 2.74Š| ||
| 581 | K | 91.4 | Very high | 96.6 | Very high | 152 Ų | 152 | 87 Ų | 87 | 66% | 0.661 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -87.2 | 137.7 | 177.2 | -66.6 | 178.8 | -178.8 | 175.2 | 0 | 109.6 | S579 Q583 | S579-K581 PolarHBondContact O-N 2.77Å; K581-Q583 PolarHBondContact O-N 2.83Å; K581-Q583 VanDerWaalsContact O-N 3.12Å |
| 582 | A | 93.9 | Very high | 96.7 | Very high | 101 Ų | 101 | 80.1 Ų | 80.1 | 84% | 0.835 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -56 | 118.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 583 | Q | 95.9 | Very high | 96.7 | Very high | 58 Ų | 58 | 79.2 Ų | 79.2 | 27% | 0.271 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 130 | -173.8 | -82 | 174.4 | -21.4 | 0 | 0 | 111.9 | G570 K581 I588 | G570-Q583 VanDerWaalsContact C-OE1 3.29Å; G570-Q583 PolarHBondContact O-NE2 2.91Å; G570-Q583 PolarHBondContact O-OE1 3Å; K581-Q583 PolarHBondContact O-N 2.83Å; K581-Q583 VanDerWaalsContact O-N 3.12Å; Q583-I588 HydrophobicContact CB-CD1 3.99Å; Q583-I588 HydrophobicContact CB-CG1 3.75Å; Q583-I588 HydrophobicContact CG-CG1 4.01Å |
| 584 | T | 98.3 | Very high | 96.7 | Very high | 82 Ų | 82 | 84.3 Ų | 84.3 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 162.4 | 162.6 | 71.6 | 0 | 0 | 0 | 0 | 109.6 | L586 V587 I588 | T584-L586 PolarHBondContact O-N 2.87Å; T584-V587 PolarHBondContact O-N 2.85Å; T584-V587 WeakPolarHBondContact OG1-CG2 3.41Å; T584-V587 PolarHBondContact OG1-N 2.77Å; T584-I588 WeakPolarHBondContact O-CG1 3.22Å; T584-I588 PolarHBondContact O-N 3.07Å |
| 585 | K | 98.6 | Very high | 96.7 | Very high | 98 Ų | 98 | 81.9 Ų | 81.9 | 43% | 0.426 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -50.8 | -43.9 | 177.1 | -69.4 | -170.1 | 174.9 | -171.8 | 0 | 112.9 | N563 F566 I588 L589 | N563-K585 WeakPolarHBondContact OD1-CE 3.43Å; N563-K585 PolarHBondContact OD1-NZ 2.93Å; F566-K585 HydrophobicContact CD1-CB 4.07Å; F566-K585 HydrophobicContact CD1-CG 3.94Å; F566-K585 HydrophobicContact CD2-CD 3.96Å; F566-K585 HydrophobicContact CD2-CG 4.16Å; F566-K585 HydrophobicContact CE1-CB 3.72Å; F566-K585 HydrophobicContact CE1-CG 4.03Å; F566-K585 WeakPolarHBondContact CE1-O 3.46Å; F566-K585 HydrophobicContact CE2-CB 4.48Å; F566-K585 HydrophobicContact CE2-CD 3.9Å; F566-K585 HydrophobicContact CE2-CG 4.25Å; F566-K585 HydrophobicContact CG-CD 4.32Å; F566-K585 HydrophobicContact CG-CG 4.01Å; F566-K585 HydrophobicContact CZ-CB 3.95Å; F566-K585 HydrophobicContact CZ-CD 4.2Å; F566-K585 HydrophobicContact CZ-CG 4.19Å; K585-I588 PolarHBondContact O-N 3.09Å; K585-L589 WeakPolarHBondContact O-CG 3.35Å; K585-L589 PolarHBondContact O-N 3.41Å; K585-L589 VanDerWaalsContact O-N 3.15Å |
| 586 | L | 98.4 | Very high | 96.8 | Very high | 110 Ų | 110 | 81 Ų | 81 | 58% | 0.576 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 178 | 178.9 | 60.2 | 0 | 0 | 0 | 111.9 | T584 I588 L589 Q590 | T584-L586 PolarHBondContact O-N 2.87Å; L586-I588 VanDerWaalsContact C-N 3.32Å; L586-I588 PolarHBondContact O-N 2.93Å; L586-L589 PolarHBondContact O-N 3.44Å; L586-Q590 HydrophobicContact CD1-CG 4.46Å; L586-Q590 WeakPolarHBondContact O-CG 3.31Å; L586-Q590 PolarHBondContact O-N 3.19Å |
| 587 | V | 98.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 80.7 Ų | 80.7 | 26% | 0.261 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 176.9 | 171 | 0 | 0 | 0 | 0 | 111 | T584 L589 Q590 Q591 | T584-V587 PolarHBondContact O-N 2.85Å; T584-V587 WeakPolarHBondContact OG1-CG2 3.41Å; T584-V587 PolarHBondContact OG1-N 2.77Å; V587-L589 PolarHBondContact O-N 2.98Å; V587-Q590 PolarHBondContact O-N 3.39Å; V587-Q591 HydrophobicContact CG1-CG 4.09Å; V587-Q591 VanDerWaalsContact O-CB 3.26Å; V587-Q591 WeakPolarHBondContact O-CB 3.41Å; V587-Q591 WeakPolarHBondContact O-CG 3.27Å; V587-Q591 PolarHBondContact O-N 3.42Å |
| 588 | I | 98.4 | Very high | 96.9 | Very high | 12 Ų | 12 | 80.9 Ų | 80.9 | 6% | 0.062 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 177.1 | -65 | 162 | 0 | 0 | 0 | 110.9 | F566 L569 Q583 T584 K585 L586 Q591 A592 | F566-I588 HydrophobicContact CD1-CB 4.15Å; F566-I588 HydrophobicContact CD1-CD1 4.06Å; F566-I588 HydrophobicContact CD1-CG2 4.03Å; F566-I588 HydrophobicContact CE1-CB 4.37Å; F566-I588 HydrophobicContact CE1-CG2 4.39Å; L569-I588 HydrophobicContact CB-CG2 3.97Å; L569-I588 HydrophobicContact CD2-CG2 3.87Å; L569-I588 HydrophobicContact CG-CG2 3.69Å; Q583-I588 HydrophobicContact CB-CD1 3.99Å; Q583-I588 HydrophobicContact CB-CG1 3.75Å; Q583-I588 HydrophobicContact CG-CG1 4.01Å; T584-I588 WeakPolarHBondContact O-CG1 3.22Å; T584-I588 PolarHBondContact O-N 3.07Å; K585-I588 PolarHBondContact O-N 3.09Å; L586-I588 VanDerWaalsContact C-N 3.32Å; L586-I588 PolarHBondContact O-N 2.93Å; I588-Q591 PolarHBondContact O-N 3.07Å; I588-A592 WeakPolarHBondContact O-CB 3.33Å; I588-A592 PolarHBondContact O-N 2.65Å |
| 589 | L | 98.6 | Very high | 97 | Very high | 86 Ų | 86 | 75.4 Ų | 75.4 | 45% | 0.45 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 176 | -64.3 | 176.8 | 0 | 0 | 0 | 112.1 | F566 K585 L586 V587 Q591 A592 V593 | F566-L589 HydrophobicContact CE1-CD2 3.96Å; F566-L589 HydrophobicContact CE1-CG 3.93Å; F566-L589 HydrophobicContact CZ-CD1 4.26Å; F566-L589 HydrophobicContact CZ-CD2 4.03Å; F566-L589 HydrophobicContact CZ-CG 4.11Å; K585-L589 WeakPolarHBondContact O-CG 3.35Å; K585-L589 PolarHBondContact O-N 3.41Å; K585-L589 VanDerWaalsContact O-N 3.15Å; L586-L589 PolarHBondContact O-N 3.44Å; V587-L589 PolarHBondContact O-N 2.98Å; L589-Q591 VanDerWaalsContact C-N 3.34Å; L589-Q591 PolarHBondContact O-N 3.18Å; L589-A592 PolarHBondContact O-N 2.84Å; L589-V593 WeakPolarHBondContact O-CG2 3.13Å; L589-V593 PolarHBondContact O-N 3.41Å; L589-V593 VanDerWaalsContact O-N 3.14Å |
| 590 | Q | 98.2 | Very high | 97.2 | Very high | 114 Ų | 114 | 78.6 Ų | 78.6 | 53% | 0.533 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 177.1 | -70.5 | 169.9 | -18.4 | 0 | 0 | 111.7 | L586 V587 Q594 | L586-Q590 HydrophobicContact CD1-CG 4.46Å; L586-Q590 WeakPolarHBondContact O-CG 3.31Å; L586-Q590 PolarHBondContact O-N 3.19Å; V587-Q590 PolarHBondContact O-N 3.39Å; Q590-Q594 PolarHBondContact O-N 3.26Å |
| 591 | Q | 98.1 | Very high | 97.3 | Very high | 23 Ų | 23 | 77.3 Ų | 77.3 | 11% | 0.107 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 176.1 | -75.7 | -176.9 | -19.5 | 0 | 0 | 112.2 | C573 L577 V587 I588 L589 V593 Q594 V595 | C573-Q591 HydrophobicContact CB-CB 3.92Å; L577-Q591 HydrophobicContact CD1-CB 3.5Å; L577-Q591 VanDerWaalsContact CD1-CB 3.5Å; L577-Q591 HydrophobicContact CD1-CG 3.48Å; L577-Q591 VanDerWaalsContact CD1-CG 3.48Å; V587-Q591 HydrophobicContact CG1-CG 4.09Å; V587-Q591 VanDerWaalsContact O-CB 3.26Å; V587-Q591 WeakPolarHBondContact O-CB 3.41Å; V587-Q591 WeakPolarHBondContact O-CG 3.27Å; V587-Q591 PolarHBondContact O-N 3.42Å; I588-Q591 PolarHBondContact O-N 3.07Å; L589-Q591 VanDerWaalsContact C-N 3.34Å; L589-Q591 PolarHBondContact O-N 3.18Å; Q591-V593 PolarHBondContact O-N 2.64Å; Q591-Q594 PolarHBondContact O-N 3.43Å; Q591-V595 WeakPolarHBondContact O-CG2 3.43Å; Q591-V595 PolarHBondContact O-N 3.22Å |
| 592 | A | 98.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 74 Ų | 74 | 9% | 0.091 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L569 C573 I588 L589 Q594 V595 I596 | L569-A592 HydrophobicContact CD1-CB 3.96Å; L569-A592 HydrophobicContact CD2-CB 4.1Å; L569-A592 HydrophobicContact CG-CB 4.21Å; C573-A592 WeakPolarHBondContact SG-CA 3.39Å; C573-A592 PolarHBondContact SG-N 2.87Å; I588-A592 WeakPolarHBondContact O-CB 3.33Å; I588-A592 PolarHBondContact O-N 2.65Å; L589-A592 PolarHBondContact O-N 2.84Å; A592-Q594 VanDerWaalsContact C-N 3.33Å; A592-Q594 PolarHBondContact O-N 3.02Å; A592-V595 PolarHBondContact O-N 2.95Å; A592-I596 VanDerWaalsContact O-CG1 3.3Å; A592-I596 WeakPolarHBondContact O-CG1 3.4Å; A592-I596 PolarHBondContact O-N 3.2Å |
| 593 | V | 98.6 | Very high | 97.5 | Very high | 85 Ų | 85 | 73.2 Ų | 73.2 | 52% | 0.515 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 174.7 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | L589 Q591 V595 I596 L597 | L589-V593 WeakPolarHBondContact O-CG2 3.13Å; L589-V593 PolarHBondContact O-N 3.41Å; L589-V593 VanDerWaalsContact O-N 3.14Å; Q591-V593 PolarHBondContact O-N 2.64Å; V593-V595 PolarHBondContact O-N 2.74Å; V593-I596 PolarHBondContact O-N 3.3Å; V593-L597 HydrophobicContact CG1-CD1 3.76Å; V593-L597 HydrophobicContact CG1-CG 4.33Å; V593-L597 WeakPolarHBondContact O-CB 3.44Å; V593-L597 VanDerWaalsContact O-CG 3.32Å; V593-L597 WeakPolarHBondContact O-CG 3.28Å; V593-L597 PolarHBondContact O-N 3.18Å |
| 594 | Q | 98.1 | Very high | 97.3 | Very high | 110 Ų | 110 | 77.4 Ų | 77.4 | 51% | 0.514 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64 | -37 | 177.8 | -178.2 | 57.8 | 73.3 | 0 | 0 | 113 | L577 Q590 Q591 A592 S598 | L577-Q594 HydrophobicContact CD2-CG 4.15Å; Q590-Q594 PolarHBondContact O-N 3.26Å; Q591-Q594 PolarHBondContact O-N 3.43Å; A592-Q594 VanDerWaalsContact C-N 3.33Å; A592-Q594 PolarHBondContact O-N 3.02Å; Q594-S598 VanDerWaalsContact O-CB 3.22Å; Q594-S598 WeakPolarHBondContact O-CB 3.11Å; Q594-S598 PolarHBondContact O-N 3.19Å |
| 595 | V | 98.4 | Very high | 96.8 | Very high | 15 Ų | 15 | 79 Ų | 79 | 9% | 0.091 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.9 | -49.4 | 175.5 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | H576 L577 Q591 A592 V593 S598 L599 | H576-V595 HydrophobicContact CB-CB 4.36Å; H576-V595 HydrophobicContact CB-CG1 3.68Å; H576-V595 HydrophobicContact CB-CG2 3.67Å; L577-V595 HydrophobicContact CD1-CG2 3.93Å; L577-V595 HydrophobicContact CD2-CG2 3.99Å; L577-V595 HydrophobicContact CG-CG2 3.61Å; Q591-V595 WeakPolarHBondContact O-CG2 3.43Å; Q591-V595 PolarHBondContact O-N 3.22Å; A592-V595 PolarHBondContact O-N 2.95Å; V593-V595 PolarHBondContact O-N 2.74Å; V595-S598 PolarHBondContact O-N 3.06Å; V595-L599 HydrophobicContact CG1-CD1 3.68Å; V595-L599 HydrophobicContact CG1-CG 4.3Å; V595-L599 WeakPolarHBondContact O-CB 3.37Å; V595-L599 WeakPolarHBondContact O-CG 3.31Å; V595-L599 PolarHBondContact O-N 3.4Å |
| 596 | I | 98.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 82.9 Ų | 82.9 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.4 | -53 | 179.9 | -68.8 | 164.6 | 0 | 0 | 0 | 110.4 | A592 V593 S598 L599 E600 | A592-I596 VanDerWaalsContact O-CG1 3.3Å; A592-I596 WeakPolarHBondContact O-CG1 3.4Å; A592-I596 PolarHBondContact O-N 3.2Å; V593-I596 PolarHBondContact O-N 3.3Å; I596-S598 VanDerWaalsContact C-N 3.28Å; I596-S598 PolarHBondContact O-N 2.57Å; I596-L599 PolarHBondContact O-N 3.34Å; I596-E600 HydrophobicContact CG2-CG 4.22Å; I596-E600 WeakPolarHBondContact CG2-OE1 3.45Å; I596-E600 WeakPolarHBondContact O-CB 3.48Å; I596-E600 WeakPolarHBondContact O-CG 3.23Å; I596-E600 PolarHBondContact O-N 3.16Å |
| 597 | L | 98 | Very high | 95.1 | Very high | 97 Ų | 97 | 83.8 Ų | 83.8 | 51% | 0.508 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.6 | -34.4 | -179.4 | -67.6 | 173.4 | 0 | 0 | 0 | 113 | V593 K601 | V593-L597 HydrophobicContact CG1-CD1 3.76Å; V593-L597 HydrophobicContact CG1-CG 4.33Å; V593-L597 WeakPolarHBondContact O-CB 3.44Å; V593-L597 VanDerWaalsContact O-CG 3.32Å; V593-L597 WeakPolarHBondContact O-CG 3.28Å; V593-L597 PolarHBondContact O-N 3.18Å; L597-K601 VanDerWaalsContact O-CB 3.3Å; L597-K601 WeakPolarHBondContact O-CB 3.4Å; L597-K601 PolarHBondContact O-N 3.06Å; L597-K601 VanDerWaalsContact O-N 3.08Å |
| 598 | S | 97.3 | Very high | 93.5 | Very high | 66 Ų | 66 | 87.7 Ų | 87.7 | 46% | 0.462 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.8 | -46.2 | 175.7 | -172.5 | 0 | 0 | 0 | 0 | 112 | Q594 V595 I596 K601 Q602 | Q594-S598 VanDerWaalsContact O-CB 3.22Å; Q594-S598 WeakPolarHBondContact O-CB 3.11Å; Q594-S598 PolarHBondContact O-N 3.19Å; V595-S598 PolarHBondContact O-N 3.06Å; I596-S598 VanDerWaalsContact C-N 3.28Å; I596-S598 PolarHBondContact O-N 2.57Å; S598-K601 PolarHBondContact O-N 3.44Å; S598-Q602 PolarHBondContact O-N 3.25Å |
| 599 | L | 96.8 | Very high | 91.8 | Very high | 64 Ų | 64 | 91.5 Ų | 91.5 | 34% | 0.335 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 178.3 | -68.9 | 175.2 | 0 | 0 | 0 | 111.6 | V595 I596 K601 Q602 V603 | V595-L599 HydrophobicContact CG1-CD1 3.68Å; V595-L599 HydrophobicContact CG1-CG 4.3Å; V595-L599 WeakPolarHBondContact O-CB 3.37Å; V595-L599 WeakPolarHBondContact O-CG 3.31Å; V595-L599 PolarHBondContact O-N 3.4Å; I596-L599 PolarHBondContact O-N 3.34Å; L599-K601 VanDerWaalsContact C-N 3.31Å; L599-K601 PolarHBondContact O-N 3Å; L599-Q602 PolarHBondContact O-N 3.26Å; L599-V603 WeakPolarHBondContact O-CB 3.49Å; L599-V603 VanDerWaalsContact O-CG2 3.27Å; L599-V603 WeakPolarHBondContact O-CG2 3.49Å; L599-V603 PolarHBondContact O-N 3.26Å |
| 600 | E | 96.3 | Very high | 89.9 | Confident | 88 Ų | 88 | 91.9 Ų | 91.9 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57 | -44 | 173.3 | -79.1 | -173.8 | -167 | 0 | 0 | 112.1 | I596 V603 R604 | I596-E600 HydrophobicContact CG2-CG 4.22Å; I596-E600 WeakPolarHBondContact CG2-OE1 3.45Å; I596-E600 WeakPolarHBondContact O-CB 3.48Å; I596-E600 WeakPolarHBondContact O-CG 3.23Å; I596-E600 PolarHBondContact O-N 3.16Å; E600-V603 PolarHBondContact O-N 2.76Å; E600-R604 VanDerWaalsContact O-CB 3.22Å; E600-R604 WeakPolarHBondContact O-CB 3.4Å; E600-R604 PolarHBondContact O-N 3.08Å; E600-R604 IonicContact OE2-NH2 3.86Å; E600-R604 PolarHBondContact OE2-NH2 3.14Å |
| 601 | K | 95.1 | Very high | 87.8 | Confident | 117 Ų | 117 | 94.1 Ų | 94.1 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.1 | -49 | 175 | 179.1 | 179 | 171.1 | -179.3 | 0 | 110.7 | L597 S598 L599 V603 R604 E605 | L597-K601 VanDerWaalsContact O-CB 3.3Å; L597-K601 WeakPolarHBondContact O-CB 3.4Å; L597-K601 PolarHBondContact O-N 3.06Å; L597-K601 VanDerWaalsContact O-N 3.08Å; S598-K601 PolarHBondContact O-N 3.44Å; L599-K601 VanDerWaalsContact C-N 3.31Å; L599-K601 PolarHBondContact O-N 3Å; K601-V603 VanDerWaalsContact C-N 3.32Å; K601-V603 PolarHBondContact O-N 3.33Å; K601-R604 PolarHBondContact O-N 3.15Å; K601-E605 WeakPolarHBondContact CE-OE1 3.19Å; K601-E605 HydrophobicContact CG-CG 4.42Å; K601-E605 IonicContact NZ-OE1 2.68Å; K601-E605 WeakPolarHBondContact O-CB 3.34Å; K601-E605 WeakPolarHBondContact O-CG 3.24Å; K601-E605 PolarHBondContact O-N 3.12Å |
| 602 | Q | 94.1 | Very high | 85.9 | Confident | 81 Ų | 81 | 95.8 Ų | 95.8 | 38% | 0.379 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 179 | -173.6 | 177.1 | 99.7 | 0 | 0 | 112.6 | S598 L599 R606 | S598-Q602 PolarHBondContact O-N 3.25Å; L599-Q602 PolarHBondContact O-N 3.26Å; Q602-R606 WeakPolarHBondContact O-CB 3.44Å; Q602-R606 WeakPolarHBondContact O-CG 3.31Å; Q602-R606 PolarHBondContact O-N 2.6Å |
| 603 | V | 94.9 | Very high | 84 | Confident | 85 Ų | 85 | 97.8 Ų | 97.8 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 174.4 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | L599 E600 K601 R606 N607 | L599-V603 WeakPolarHBondContact O-CB 3.49Å; L599-V603 VanDerWaalsContact O-CG2 3.27Å; L599-V603 WeakPolarHBondContact O-CG2 3.49Å; L599-V603 PolarHBondContact O-N 3.26Å; E600-V603 PolarHBondContact O-N 2.76Å; K601-V603 VanDerWaalsContact C-N 3.32Å; K601-V603 PolarHBondContact O-N 3.33Å; V603-R606 PolarHBondContact O-N 3.1Å; V603-N607 WeakPolarHBondContact CG1-ND2 3.35Å; V603-N607 WeakPolarHBondContact O-CB 3.46Å; V603-N607 PolarHBondContact O-N 3Å; V603-N607 PolarHBondContact O-ND2 3.28Å |
| 604 | R | 91.6 | Very high | 82 | Confident | 146 Ų | 146 | 96.8 Ų | 96.8 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 176.5 | -168.3 | -179.6 | -63.4 | 106.8 | 0.8 | 112 | E600 K601 L608 | E600-R604 VanDerWaalsContact O-CB 3.22Å; E600-R604 WeakPolarHBondContact O-CB 3.4Å; E600-R604 PolarHBondContact O-N 3.08Å; E600-R604 IonicContact OE2-NH2 3.86Å; E600-R604 PolarHBondContact OE2-NH2 3.14Å; K601-R604 PolarHBondContact O-N 3.15Å; R604-L608 PolarHBondContact O-N 2.83Å |
| 605 | E | 89.3 | Confident | 80 | Confident | 117 Ų | 117 | 97.5 Ų | 97.5 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.7 | -38 | 177 | -73.1 | 173.5 | 164 | 0 | 0 | 112.7 | K601 L608 | K601-E605 WeakPolarHBondContact CE-OE1 3.19Å; K601-E605 HydrophobicContact CG-CG 4.42Å; K601-E605 IonicContact NZ-OE1 2.68Å; K601-E605 WeakPolarHBondContact O-CB 3.34Å; K601-E605 WeakPolarHBondContact O-CG 3.24Å; K601-E605 PolarHBondContact O-N 3.12Å; E605-L608 WeakPolarHBondContact O-CB 3.48Å |
| 606 | R | 84.4 | Confident | 77.9 | Confident | 179 Ų | 179 | 103.9 Ų | 103.9 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -79.2 | -27.2 | 177.2 | -73.4 | -166.5 | -176.4 | 123.2 | 7.1 | 114.6 | Q602 V603 L608 | Q602-R606 WeakPolarHBondContact O-CB 3.44Å; Q602-R606 WeakPolarHBondContact O-CG 3.31Å; Q602-R606 PolarHBondContact O-N 2.6Å; V603-R606 PolarHBondContact O-N 3.1Å; R606-L608 VanDerWaalsContact C-N 3.28Å |
| 607 | N | 75.4 | Confident | 75.9 | Confident | 129 Ų | 129 | 108 Ų | 108 | 69% | 0.69 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -83.9 | -3.2 | 172.7 | -72.7 | -75.7 | 0 | 0 | 0 | 113 | V603 N609 | V603-N607 WeakPolarHBondContact CG1-ND2 3.35Å; V603-N607 WeakPolarHBondContact O-CB 3.46Å; V603-N607 PolarHBondContact O-N 3Å; V603-N607 PolarHBondContact O-ND2 3.28Å; N607-N609 PolarHBondContact O-N 3.22Å; N607-N609 VanDerWaalsContact O-N 3.12Å |
| 608 | L | 64.4 | Low | 73.8 | Confident | 124 Ų | 124 | 112.3 Ų | 112.3 | 65% | 0.649 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -66.1 | 110.7 | 163.9 | -131.1 | 74.9 | 0 | 0 | 0 | 108.5 | R604 E605 R606 | R604-L608 PolarHBondContact O-N 2.83Å; E605-L608 WeakPolarHBondContact O-CB 3.48Å; R606-L608 VanDerWaalsContact C-N 3.28Å |
| 609 | N | 62.2 | Low | 71.6 | Confident | 93 Ų | 93 | 116.2 Ų | 116.2 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | trans | -47.7 | 121.2 | -170.6 | -179.6 | -14.7 | 0 | 0 | 0 | 111.9 | N607 K611 A612 A613 | N607-N609 PolarHBondContact O-N 3.22Å; N607-N609 VanDerWaalsContact O-N 3.12Å; N609-K611 PolarHBondContact O-N 3.46Å; N609-K611 WeakPolarHBondContact OD1-CB 3.44Å; N609-K611 PolarHBondContact OD1-N 3.48Å; N609-A612 WeakPolarHBondContact O-CA 3.42Å; N609-A612 WeakPolarHBondContact O-CB 3.42Å; N609-A612 PolarHBondContact O-N 2.57Å; N609-A613 PolarHBondContact O-N 2.74Å | ||
| 610 | P | 60.8 | Low | 69.5 | Low | 94 Ų | 94 | 120.8 Ų | 120.8 | 61% | 0.61 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.1 | -20.3 | -175.6 | 23.3 | -33.7 | 0 | 0 | 0 | 113.3 | A613 C614 | P610-A613 PolarHBondContact O-N 3.18Å; P610-C614 WeakPolarHBondContact O-CB 3.33Å; P610-C614 PolarHBondContact O-N 3.05Å |
| 611 | K | 53.8 | Low | 67.2 | Low | 161 Ų | 161 | 124.4 Ų | 124.4 | 70% | 0.7 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.9 | -35.7 | 170.7 | -63.2 | -176.4 | 177.7 | -179.8 | 0 | 112.3 | N609 L615 | N609-K611 PolarHBondContact O-N 3.46Å; N609-K611 WeakPolarHBondContact OD1-CB 3.44Å; N609-K611 PolarHBondContact OD1-N 3.48Å; K611-L615 WeakPolarHBondContact O-CB 3.28Å; K611-L615 PolarHBondContact O-N 3.25Å |
| 612 | A | 58.5 | Low | 64.9 | Low | 57 Ų | 57 | 127.1 Ų | 127.1 | 47% | 0.471 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.5 | -40.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N609 L615 K616 | N609-A612 WeakPolarHBondContact O-CA 3.42Å; N609-A612 WeakPolarHBondContact O-CB 3.42Å; N609-A612 PolarHBondContact O-N 2.57Å; A612-L615 PolarHBondContact O-N 3.28Å; A612-K616 PolarHBondContact O-N 3.07Å |
| 613 | A | 56.8 | Low | 62.1 | Low | 53 Ų | 53 | 129.3 Ų | 129.3 | 44% | 0.438 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.1 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N609 P610 R617 | N609-A613 PolarHBondContact O-N 2.74Å; P610-A613 PolarHBondContact O-N 3.18Å; A613-R617 PolarHBondContact O-N 3.09Å |
| 614 | C | 57 | Low | 59.8 | Low | 64 Ų | 64 | 130.6 Ų | 130.6 | 43% | 0.432 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -75.4 | -28.3 | 173.9 | -76.1 | 0 | 0 | 0 | 0 | 113.6 | P610 R617 R618 | P610-C614 WeakPolarHBondContact O-CB 3.33Å; P610-C614 PolarHBondContact O-N 3.05Å; C614-R617 PolarHBondContact O-N 3.12Å; C614-R618 WeakPolarHBondContact O-CB 3.03Å; C614-R618 PolarHBondContact O-N 3Å; C614-R618 VanDerWaalsContact O-N 3.08Å |
| 615 | L | 55.6 | Low | 57.4 | Low | 125 Ų | 125 | 127.2 Ų | 127.2 | 65% | 0.654 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -61.4 | -47.9 | 168.8 | -93.2 | 160.9 | 0 | 0 | 0 | 111 | K611 A612 R617 R618 E619 | K611-L615 WeakPolarHBondContact O-CB 3.28Å; K611-L615 PolarHBondContact O-N 3.25Å; A612-L615 PolarHBondContact O-N 3.28Å; L615-R617 VanDerWaalsContact C-N 3.34Å; L615-R617 PolarHBondContact O-N 3.33Å; L615-R618 PolarHBondContact O-N 3.43Å; L615-E619 PolarHBondContact O-N 3.44Å |
| 616 | K | 54.3 | Low | 54.8 | Low | 150 Ų | 150 | 128.9 Ų | 128.9 | 65% | 0.652 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -60.5 | -40 | 177.4 | -170.6 | 171.9 | -178.2 | 179 | 0 | 112.8 | A612 R618 E619 | A612-K616 PolarHBondContact O-N 3.07Å; K616-R618 VanDerWaalsContact C-N 3.28Å; K616-R618 PolarHBondContact O-N 3.5Å; K616-E619 PolarHBondContact O-N 2.68Å |
| 617 | R | 57.7 | Low | 52.2 | Low | 177 Ų | 177 | 127.9 Ų | 127.9 | 67% | 0.668 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.7 | -16.8 | 174.8 | -69.8 | -165 | -61 | 154.1 | 2.9 | 114.6 | A613 C614 L615 | A613-R617 PolarHBondContact O-N 3.09Å; C614-R617 PolarHBondContact O-N 3.12Å; L615-R617 VanDerWaalsContact C-N 3.34Å; L615-R617 PolarHBondContact O-N 3.33Å |
| 618 | R | 52.8 | Low | 50.3 | Low | 189 Ų | 189 | 130.7 Ų | 130.7 | 71% | 0.713 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -91.5 | -10 | 175.5 | -163.1 | 172.3 | -173.6 | -171.2 | 1.9 | 113.1 | C614 L615 K616 | C614-R618 WeakPolarHBondContact O-CB 3.03Å; C614-R618 PolarHBondContact O-N 3Å; C614-R618 VanDerWaalsContact O-N 3.08Å; L615-R618 PolarHBondContact O-N 3.43Å; K616-R618 VanDerWaalsContact C-N 3.28Å; K616-R618 PolarHBondContact O-N 3.5Å |
| 619 | E | 52.1 | Low | 48.9 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -77.4 | -43 | 172.8 | -167.9 | 171.4 | -172.3 | 0 | 0 | 111.2 | L615 K616 E621 K622 | L615-E619 PolarHBondContact O-N 3.44Å; K616-E619 PolarHBondContact O-N 2.68Å; E619-E621 VanDerWaalsContact C-N 3.28Å; E619-E621 PolarHBondContact O-N 3.3Å; E619-K622 PolarHBondContact O-N 3.27Å |
| 620 | E | 51.8 | Low | 47.7 | Very low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -66.5 | -27.2 | 174.9 | -67 | -179.1 | 146.1 | 0 | 0 | 112.8 | K622 | E620-K622 PolarHBondContact O-N 3.18Å; E620-K622 VanDerWaalsContact O-N 3.13Å |
| 621 | E | 48.9 | Very low | 46.4 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 20.1 | 173.5 | -150.6 | -162.9 | 148.8 | 0 | 0 | 113.4 | E619 | E619-E621 VanDerWaalsContact C-N 3.28Å; E619-E621 PolarHBondContact O-N 3.3Å |
| 622 | K | 46.9 | Very low | 45.5 | Very low | 174 Ų | 174 | 138 Ų | 138 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132 | 26 | -179.8 | -143.1 | -176.1 | 178.8 | -173.5 | 0 | 115.7 | E619 E620 P624 | E619-K622 PolarHBondContact O-N 3.27Å; E620-K622 PolarHBondContact O-N 3.18Å; E620-K622 VanDerWaalsContact O-N 3.13Å; K622-P624 WeakPolarHBondContact O-CD 3.39Å |
| 623 | V | 35.9 | Very low | 44.2 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | trans | -96.6 | 93.7 | 159.8 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | G625 | V623-G625 PolarHBondContact O-N 2.82Š| ||
| 624 | P | 45.3 | Very low | 43.1 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | -65.8 | 130.7 | 172.6 | 28.8 | -34 | 0 | 0 | 0 | 109.3 | K622 | K622-P624 WeakPolarHBondContact O-CD 3.39Š| ||
| 625 | G | 42.4 | Very low | 41.8 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | -71.8 | 146.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V623 | V623-G625 PolarHBondContact O-N 2.82Š| ||
| 626 | L | 34.8 | Very low | 41.1 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -126.3 | 117 | 162.1 | -78.8 | 179.9 | 0 | 0 | 0 | 109.5 | ||||
| 627 | E | 29 | Very low | 40.9 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 49.3 | 108.9 | 149.9 | 25.3 | -169.7 | 148.2 | 0 | 0 | 119.6 | ||||
| 628 | H | 34.7 | Very low | 40 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | -146.9 | 132.3 | 98.1 | -107.4 | 69.4 | 0 | 0 | 0 | 113.2 | |||||
| 629 | Q | 35.2 | Very low | 39.7 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | trans | -79.4 | 143.4 | 168.4 | -150.7 | 170 | 31.8 | 0 | 0 | 107.4 | ||||
| 630 | L | 38.7 | Very low | 39 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | -178.5 | 144 | 82.4 | -82.2 | 156.8 | 0 | 0 | 0 | 109.6 | |||||
| 631 | Q | 32.1 | Very low | 38.4 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | 154.6 | 135.6 | 120.7 | -162.7 | 61.4 | 28.6 | 0 | 0 | 111.6 | |||||
| 632 | L | 35 | Very low | 37.9 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | 63.9 | 135.2 | -177.2 | -53.4 | 113.8 | 0 | 0 | 0 | 115.6 | ||||
| 633 | G | 32.3 | Very low | 37.4 | Very low | 84 Ų | 84 | 127 Ų | 127 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | cis | 147.1 | 106.9 | -15.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 634 | G | 32.6 | Very low | 37.7 | Very low | 83 Ų | 83 | 129.5 Ų | 129.5 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | 136.5 | 120.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 635 | G | 31 | Very low | 37.6 | Very low | 78 Ų | 78 | 131.1 Ų | 131.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 82.9 | 86 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 636 | H | 40.2 | Very low | 38.2 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -75 | 156.1 | 143.7 | -81.7 | -88.7 | 0 | 0 | 0 | 110 | ||||
| 637 | P | 49.3 | Very low | 38.6 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | -123 | 156.3 | 114.4 | 35.5 | -33.5 | 0 | 0 | 0 | 112.1 | |||||
| 638 | A | 40.3 | Very low | 39 | Very low | 87 Ų | 87 | 127.8 Ų | 127.8 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | -127.3 | 117.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 639 | L | 44.7 | Very low | 39.3 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 94% | 0.942 | 79% | 0.793 | S | S | * | * | trans | -147.4 | 145.4 | 158.1 | -65.5 | 178 | 0 | 0 | 0 | 104.8 | ||||
| 640 | G | 38.1 | Very low | 39.6 | Very low | 79 Ų | 79 | 130.4 Ų | 130.4 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | cis | 114.1 | 91.1 | 17.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 641 | G | 39.3 | Very low | 39.6 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 179.7 | 117.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 642 | D | 38.1 | Very low | 40 | Very low | 176 Ų | 176 | 128.6 Ų | 128.6 | 94% | 0.941 | 82% | 0.823 | S | S | * | * | trans | -69.4 | 161.1 | 168.3 | -64.3 | -86.5 | 0 | 0 | 0 | 112.4 | ||||
| 643 | G | 36.1 | Very low | 40.3 | Very low | 67 Ų | 67 | 126.6 Ų | 126.6 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | trans | 158.7 | 110.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 644 | H | 41.9 | Very low | 40.8 | Very low | 180 Ų | 180 | 129.1 Ų | 129.1 | 83% | 0.833 | 82% | 0.818 | S | S | * | * | trans | 51.8 | 99.8 | 147.8 | -72.2 | -70.2 | 0 | 0 | 0 | 121.8 | ||||
| 645 | N | 43.7 | Very low | 41.3 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | -78.5 | 156 | 118.1 | -159.2 | 2.1 | 0 | 0 | 0 | 107.4 | |||||
| 646 | P | 55.1 | Low | 41.9 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 62% | 0.617 | 82% | 0.816 | S | S | * | * | -159.1 | 160.1 | 84.4 | 44.1 | -23.8 | 0 | 0 | 0 | 118.5 | |||||
| 647 | V | 42.5 | Very low | 42.1 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 74% | 0.739 | 81% | 0.813 | S | S | * | * | trans | 68.4 | 146.6 | 156.4 | -140.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 648 | S | 37.6 | Very low | 41.5 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | 103.1 | 130.4 | 150.8 | -50.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 649 | H | 41.2 | Very low | 41.6 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.745 | 82% | 0.818 | S | S | * | * | cis | -149.6 | 141.3 | -1.1 | -136.6 | -76.6 | 0 | 0 | 0 | 110.7 | ||||
| 650 | M | 41.3 | Very low | 41.3 | Very low | 247 Ų | 247 | 131.7 Ų | 131.7 | 100% | 1.217 | 81% | 0.806 | S | S | * | * | trans | 24 | 0 | 163.6 | -64.6 | 176.3 | 78.1 | 0 | 0 | 119.1 |
Retrieved 650 of 650 residues in 259 ms
(Link to these results)