| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.2 | Very low | 41.1 | Very low | 248 Ų | 248 | 153.9 Ų | 153.9 | 100% | 1.222 | 83% | 0.833 | S | S | * | * | 0 | 115.7 | 0 | -69.2 | 169.3 | 170.6 | 0 | 0 | 106 | |||||
| 2 | A | 39.3 | Very low | 40.9 | Very low | 85 Ų | 85 | 149.9 Ų | 149.9 | 70% | 0.702 | 83% | 0.825 | S | S | * | * | cis | -157.1 | 145.5 | 2.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 3 | E | 41.8 | Very low | 41.2 | Very low | 190 Ų | 190 | 157.7 Ų | 157.7 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | 52.8 | 149.3 | 144.3 | -62.9 | 175 | -173.7 | 0 | 0 | 121.2 | ||||
| 4 | S | 42.9 | Very low | 41.2 | Very low | 90 Ų | 90 | 152.9 Ų | 152.9 | 63% | 0.629 | 83% | 0.829 | S | S | * | * | cis | 174.6 | 123.5 | -15.8 | 179.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 5 | Y | 42.8 | Very low | 41.3 | Very low | 214 Ų | 214 | 149.7 Ų | 149.7 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | trans | 58.4 | 120.6 | 145.5 | -72 | -111.1 | 0 | 0 | 0 | 121.6 | ||||
| 6 | C | 38.9 | Very low | 41 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 89% | 0.892 | 83% | 0.834 | S | S | * | * | -175 | 136.4 | 101.8 | -96.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 7 | Y | 40.9 | Very low | 41 | Very low | 221 Ų | 221 | 148.9 Ų | 148.9 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -99.4 | 124.5 | -163 | -177 | -95.6 | 0 | 0 | 0 | 111.6 | ||||
| 8 | V | 46.6 | Very low | 40.9 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 66% | 0.661 | 83% | 0.826 | S | S | * | * | trans | 27.9 | 116.6 | 143.6 | -166.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 9 | M | 39.7 | Very low | 40.8 | Very low | 177 Ų | 177 | 151.8 Ų | 151.8 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | trans | -63 | 136.7 | 158.2 | -63 | 164.4 | 61.1 | 0 | 0 | 111.8 | ||||
| 10 | S | 42.2 | Very low | 41 | Very low | 115 Ų | 115 | 150.4 Ų | 150.4 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -162 | 103.6 | 151.2 | -83.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 11 | S | 37.1 | Very low | 40.6 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | trans | 14.8 | 133.4 | 138.4 | -73 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 12 | S | 38.1 | Very low | 40.9 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | 80.2 | 113.1 | 132.9 | -57.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 13 | R | 45 | Very low | 41 | Very low | 251 Ų | 251 | 149.8 Ų | 149.8 | 95% | 0.947 | 81% | 0.814 | S | S | * | * | -173.8 | 143.2 | 117 | -101.1 | 162.2 | 178.9 | -132.8 | -0.2 | 112.6 | |||||
| 14 | A | 40.7 | Very low | 41.2 | Very low | 91 Ų | 91 | 147 Ų | 147 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -55.1 | 132 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M16 | A14-M16 PolarHBondContact O-N 2.91Š| ||
| 15 | A | 43.3 | Very low | 41.2 | Very low | 105 Ų | 105 | 147.4 Ų | 147.4 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -77.6 | 102.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S17 | A15-S17 PolarHBondContact O-N 3.03Š| ||
| 16 | M | 36.9 | Very low | 41.5 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | -67.8 | 107.8 | 161.1 | -64.8 | 170.8 | 66.8 | 0 | 0 | 107.6 | A14 S18 | A14-M16 PolarHBondContact O-N 2.91Å; M16-S18 PolarHBondContact O-N 3.19Å; M16-S18 VanDerWaalsContact O-N 3.14Å | ||
| 17 | S | 39.9 | Very low | 41.9 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -76.6 | 97.4 | 169.4 | 53.5 | 0 | 0 | 0 | 0 | 108.9 | A15 | A15-S17 PolarHBondContact O-N 3.03Š| ||
| 18 | S | 40.7 | Very low | 42.2 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -62.7 | 126.9 | 166.9 | 37 | 0 | 0 | 0 | 0 | 110.2 | M16 P20 | M16-S18 PolarHBondContact O-N 3.19Å; M16-S18 VanDerWaalsContact O-N 3.14Å; S18-P20 WeakPolarHBondContact O-CD 3.36Å | ||
| 19 | W | 37.7 | Very low | 42.1 | Very low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.924 | 81% | 0.814 | S | S | * | * | trans | -75.7 | 133.2 | 166.2 | -72.2 | 63.2 | 0 | 0 | 0 | 109.2 | ||||
| 20 | P | 44.8 | Very low | 42.4 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -108.8 | 120.5 | 152.4 | 24.2 | -8 | 0 | 0 | 0 | 110.2 | S18 | S18-P20 WeakPolarHBondContact O-CD 3.36Š| ||
| 21 | G | 33.7 | Very low | 42.5 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | 54.3 | 99.4 | 130.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | E23 | G21-E23 PolarHBondContact O-N 2.81Š| ||
| 22 | R | 46.4 | Very low | 43.2 | Very low | 210 Ų | 210 | 145.8 Ų | 145.8 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -71.6 | 107.1 | 153.4 | -177 | -168.1 | -160.9 | -68.7 | -3.5 | 108.2 | D24 | R22-D24 IonicContact CZ-OD1 3.17Å; R22-D24 IonicContact NH1-OD1 3.18Å; R22-D24 PolarHBondContact NH1-OD1 3.42Å; R22-D24 IonicContact NH1-OD2 3.57Å | ||
| 23 | E | 40.4 | Very low | 43.8 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -138.6 | 139.3 | 152.4 | -71 | -157.1 | 153.5 | 0 | 0 | 110.5 | G21 | G21-E23 PolarHBondContact O-N 2.81Š| ||
| 24 | D | 47.2 | Very low | 44.5 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -77.8 | 124.3 | -157 | -59.6 | -80.2 | 0 | 0 | 0 | 113.6 | R22 | R22-D24 IonicContact CZ-OD1 3.17Å; R22-D24 IonicContact NH1-OD1 3.18Å; R22-D24 PolarHBondContact NH1-OD1 3.42Å; R22-D24 IonicContact NH1-OD2 3.57Å | ||
| 25 | A | 41.7 | Very low | 45.4 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -139.4 | 83.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A27 | A25-A27 PolarHBondContact O-N 3Š| ||
| 26 | R | 49.1 | Very low | 46.9 | Very low | 256 Ų | 256 | 141.7 Ų | 141.7 | 97% | 0.966 | 77% | 0.767 | S | S | * | * | trans | -27.1 | 95.8 | 156.2 | -166.5 | -175.9 | -152.9 | -124.4 | 6.6 | 114.3 | ||||
| 27 | A | 48.5 | Very low | 48.3 | Very low | 101 Ų | 101 | 139 Ų | 139 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | trans | -172.7 | 127 | 150.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A25 | A25-A27 PolarHBondContact O-N 3Š| ||
| 28 | G | 46.4 | Very low | 49.7 | Very low | 80 Ų | 80 | 139.4 Ų | 139.4 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | 107.7 | 19.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | A30 | G28-A30 PolarHBondContact O-N 3.33Å; G28-A30 VanDerWaalsContact O-N 3.15Å | ||
| 29 | G | 44.1 | Very low | 51.7 | Low | 62 Ų | 62 | 138.4 Ų | 138.4 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | trans | -68.5 | 107.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | W31 | G29-W31 PolarHBondContact O-N 3.12Š| ||
| 30 | A | 47 | Very low | 54 | Low | 80 Ų | 80 | 131.5 Ų | 131.5 | 66% | 0.661 | 71% | 0.71 | S | S | * | * | trans | -58.2 | 98.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G28 W32 | G28-A30 PolarHBondContact O-N 3.33Å; G28-A30 VanDerWaalsContact O-N 3.15Å; A30-W32 VanDerWaalsContact C-N 3.26Å; A30-W32 PolarHBondContact O-N 3.21Å | ||
| 31 | W | 44 | Very low | 56 | Low | 246 Ų | 246 | 129.6 Ų | 129.6 | 93% | 0.932 | 69% | 0.693 | S | S | * | * | trans | -67.3 | 90.6 | 167.4 | -77.7 | 76.7 | 0 | 0 | 0 | 106.9 | G29 P33 | G29-W31 PolarHBondContact O-N 3.12Å; W31-P33 WeakPolarHBondContact O-CD 3.45Å | ||
| 32 | W | 51.7 | Low | 58.5 | Low | 220 Ų | 220 | 132.1 Ų | 132.1 | 83% | 0.833 | 69% | 0.685 | S | S | * | * | trans | -57.8 | 123.9 | 161.6 | -68.6 | 96.1 | 0 | 0 | 0 | 106.7 | A30 R34 | A30-W32 VanDerWaalsContact C-N 3.26Å; A30-W32 PolarHBondContact O-N 3.21Å; W32-R34 PolarHBondContact O-N 3.1Å | ||
| 33 | P | 51.2 | Low | 60.5 | Low | 114 Ų | 114 | 128.6 Ų | 128.6 | 74% | 0.74 | 67% | 0.672 | S | S | * | * | trans | -52.4 | 119.3 | 174.9 | -23.8 | 33.1 | 0 | 0 | 0 | 107.5 | W31 E35 | W31-P33 WeakPolarHBondContact O-CD 3.45Å; P33-E35 PolarHBondContact O-N 3.47Å | ||
| 34 | R | 59.8 | Low | 62.9 | Low | 212 Ų | 212 | 121.8 Ų | 121.8 | 80% | 0.8 | 65% | 0.647 | S | S | * | * | trans | -56.5 | 113.4 | 175.7 | -162.3 | 172.5 | -168 | -98.9 | 0.6 | 105.7 | W32 | W32-R34 PolarHBondContact O-N 3.1Š| ||
| 35 | E | 59.4 | Low | 65 | Low | 61 Ų | 61 | 122.6 Ų | 122.6 | 29% | 0.285 | 64% | 0.641 | S | S | . | * | trans | -53.5 | 140.7 | -178.5 | -108.4 | -154.8 | 171.7 | 0 | 0 | 108.5 | P33 L37 Q39 R43 | P33-E35 PolarHBondContact O-N 3.47Å; E35-L37 PolarHBondContact O-N 3.34Å; E35-Q39 WeakPolarHBondContact OE1-CG 3.33Å; E35-Q39 PolarHBondContact OE1-NE2 3.44Å; E35-Q39 VanDerWaalsContact OE1-NE2 3.13Å; E35-Q39 PolarHBondContact OE1-OE1 3.28Å; E35-Q39 WeakPolarHBondContact OE2-CG 3.39Å; E35-R43 IonicContact OE2-CZ 4Å; E35-R43 IonicContact OE2-NE 3.43Å; E35-R43 PolarHBondContact OE2-NE 3.31Å; E35-R43 IonicContact OE2-NH2 3.77Å; E35-R43 PolarHBondContact OE2-NH2 2.98Å | ||
| 36 | P | 74.4 | Confident | 67.5 | Low | 81 Ų | 81 | 121.4 Ų | 121.4 | 53% | 0.526 | 62% | 0.618 | S | S | . | * | trans | -50.5 | 132.3 | 173.8 | -24.2 | 33.3 | 0 | 0 | 0 | 109.3 | D38 Q39 E40 | P36-D38 PolarHBondContact O-N 3.15Å; P36-Q39 WeakPolarHBondContact O-CB 3.5Å; P36-Q39 PolarHBondContact O-N 2.92Å; P36-E40 PolarHBondContact O-N 3.43Å | ||
| 37 | L | 66.4 | Low | 69.6 | Low | 120 Ų | 120 | 114.3 Ų | 114.3 | 63% | 0.628 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -51.7 | -28.9 | -173.6 | -168.1 | 69.7 | 0 | 0 | 0 | 112.8 | E35 L41 | E35-L37 PolarHBondContact O-N 3.34Å; L37-L41 WeakPolarHBondContact O-CB 3.45Å; L37-L41 PolarHBondContact O-N 3.47Å |
| 38 | D | 69.6 | Low | 71.8 | Confident | 117 Ų | 117 | 117.2 Ų | 117.2 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.6 | -35 | 176.6 | -68.2 | -40.7 | 0 | 0 | 0 | 113.8 | P36 L41 Q42 | P36-D38 PolarHBondContact O-N 3.15Å; D38-L41 PolarHBondContact O-N 2.99Å; D38-Q42 VanDerWaalsContact O-CG 3.3Å; D38-Q42 WeakPolarHBondContact O-CG 3.34Å; D38-Q42 PolarHBondContact O-N 3.48Å |
| 39 | Q | 82.3 | Confident | 74 | Confident | 89 Ų | 89 | 119.6 Ų | 119.6 | 42% | 0.416 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -74.8 | -36.8 | 179.6 | -162.3 | 167.7 | 6.2 | 0 | 0 | 111.2 | E35 P36 Q42 R43 | E35-Q39 WeakPolarHBondContact OE1-CG 3.33Å; E35-Q39 PolarHBondContact OE1-NE2 3.44Å; E35-Q39 VanDerWaalsContact OE1-NE2 3.13Å; E35-Q39 PolarHBondContact OE1-OE1 3.28Å; E35-Q39 WeakPolarHBondContact OE2-CG 3.39Å; P36-Q39 WeakPolarHBondContact O-CB 3.5Å; P36-Q39 PolarHBondContact O-N 2.92Å; Q39-Q42 PolarHBondContact O-N 3.14Å; Q39-R43 WeakPolarHBondContact O-CG 3.31Å; Q39-R43 PolarHBondContact O-N 3.38Å |
| 40 | E | 85.1 | Confident | 76.4 | Confident | 98 Ų | 98 | 124.3 Ų | 124.3 | 46% | 0.458 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.5 | -41.3 | 172.3 | -167.3 | 175.4 | -175.3 | 0 | 0 | 111.4 | P36 Q42 R43 A44 | P36-E40 PolarHBondContact O-N 3.43Å; E40-Q42 PolarHBondContact O-N 3.19Å; E40-R43 PolarHBondContact O-N 3.01Å; E40-A44 WeakPolarHBondContact O-CB 3.49Å; E40-A44 PolarHBondContact O-N 3.15Å |
| 41 | L | 88.3 | Confident | 78.7 | Confident | 83 Ų | 83 | 127.9 Ų | 127.9 | 44% | 0.435 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.8 | -39.8 | 175.6 | -175.5 | 61.4 | 0 | 0 | 0 | 112.2 | L37 D38 A44 R45 | L37-L41 WeakPolarHBondContact O-CB 3.45Å; L37-L41 PolarHBondContact O-N 3.47Å; D38-L41 PolarHBondContact O-N 2.99Å; L41-A44 PolarHBondContact O-N 3.02Å; L41-R45 VanDerWaalsContact O-CG 3.29Å; L41-R45 WeakPolarHBondContact O-CG 3.48Å; L41-R45 PolarHBondContact O-N 3Å |
| 42 | Q | 85.4 | Confident | 81.1 | Confident | 128 Ų | 128 | 121 Ų | 121 | 60% | 0.598 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 173.7 | -76.3 | 178.4 | -1.8 | 0 | 0 | 111.6 | D38 Q39 E40 A44 R45 E46 | D38-Q42 VanDerWaalsContact O-CG 3.3Å; D38-Q42 WeakPolarHBondContact O-CG 3.34Å; D38-Q42 PolarHBondContact O-N 3.48Å; Q39-Q42 PolarHBondContact O-N 3.14Å; E40-Q42 PolarHBondContact O-N 3.19Å; Q42-A44 VanDerWaalsContact C-N 3.33Å; Q42-A44 PolarHBondContact O-N 3.23Å; Q42-R45 PolarHBondContact O-N 3.35Å; Q42-E46 VanDerWaalsContact O-CB 3.3Å; Q42-E46 WeakPolarHBondContact O-CB 3.48Å; Q42-E46 PolarHBondContact O-N 3.39Å |
| 43 | R | 87.6 | Confident | 83.1 | Confident | 136 Ų | 136 | 114.7 Ų | 114.7 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 174.3 | -73.3 | -169.5 | -70.2 | 131.1 | 1.3 | 112.1 | E35 Q39 E40 E46 Q47 | E35-R43 IonicContact OE2-CZ 4Å; E35-R43 IonicContact OE2-NE 3.43Å; E35-R43 PolarHBondContact OE2-NE 3.31Å; E35-R43 IonicContact OE2-NH2 3.77Å; E35-R43 PolarHBondContact OE2-NH2 2.98Å; Q39-R43 WeakPolarHBondContact O-CG 3.31Å; Q39-R43 PolarHBondContact O-N 3.38Å; E40-R43 PolarHBondContact O-N 3.01Å; R43-E46 WeakPolarHBondContact O-CB 3.49Å; R43-E46 PolarHBondContact O-N 2.75Å; R43-Q47 VanDerWaalsContact O-CB 3.28Å; R43-Q47 WeakPolarHBondContact O-CB 3.45Å; R43-Q47 PolarHBondContact O-N 3.32Å |
| 44 | A | 90.9 | Very high | 85.1 | Confident | 43 Ų | 43 | 112 Ų | 112 | 36% | 0.355 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E40 L41 Q42 Q47 K48 | E40-A44 WeakPolarHBondContact O-CB 3.49Å; E40-A44 PolarHBondContact O-N 3.15Å; L41-A44 PolarHBondContact O-N 3.02Å; Q42-A44 VanDerWaalsContact C-N 3.33Å; Q42-A44 PolarHBondContact O-N 3.23Å; A44-Q47 PolarHBondContact O-N 3.08Å; A44-K48 WeakPolarHBondContact O-CG 3.48Å; A44-K48 PolarHBondContact O-N 3.44Å |
| 45 | R | 91.1 | Very high | 86.8 | Confident | 149 Ų | 149 | 107.2 Ų | 107.2 | 56% | 0.562 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.7 | -45.2 | 174.9 | -72.4 | 172.1 | -179.4 | -177.2 | 1.7 | 111.7 | L41 Q42 Q47 K48 R49 | L41-R45 VanDerWaalsContact O-CG 3.29Å; L41-R45 WeakPolarHBondContact O-CG 3.48Å; L41-R45 PolarHBondContact O-N 3Å; Q42-R45 PolarHBondContact O-N 3.35Å; R45-Q47 VanDerWaalsContact C-N 3.32Å; R45-Q47 PolarHBondContact O-N 3.01Å; R45-K48 PolarHBondContact O-N 3.32Å; R45-R49 PolarHBondContact O-N 3.34Å |
| 46 | E | 94.3 | Very high | 88.4 | Confident | 73 Ų | 73 | 108.2 Ų | 108.2 | 34% | 0.341 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 172.9 | 178 | 86.3 | -163.7 | 0 | 0 | 110.8 | Q42 R43 K48 R49 R50 | Q42-E46 VanDerWaalsContact O-CB 3.3Å; Q42-E46 WeakPolarHBondContact O-CB 3.48Å; Q42-E46 PolarHBondContact O-N 3.39Å; R43-E46 WeakPolarHBondContact O-CB 3.49Å; R43-E46 PolarHBondContact O-N 2.75Å; E46-K48 PolarHBondContact O-N 3.33Å; E46-R49 WeakPolarHBondContact O-CB 3.48Å; E46-R49 PolarHBondContact O-N 2.86Å; E46-R49 IonicContact OE2-CZ 2.98Å; E46-R49 IonicContact OE2-NH2 2.9Å; E46-R49 PolarHBondContact OE2-NH2 3.08Å; E46-R50 WeakPolarHBondContact O-CG 3.39Å; E46-R50 PolarHBondContact O-N 2.9Å; E46-R50 IonicContact OE1-CZ 3.41Å; E46-R50 IonicContact OE1-NE 2.63Å; E46-R50 PolarHBondContact OE1-NE 3.34Å; E46-R50 VanDerWaalsContact OE1-NE 3.17Å; E46-R50 IonicContact OE1-NH2 3.8Å; E46-R50 PolarHBondContact OE1-NH2 3.05Å |
| 47 | Q | 94.3 | Very high | 89.4 | Confident | 108 Ų | 108 | 110 Ų | 110 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 179.3 | -163.3 | 177.7 | 23.6 | 0 | 0 | 112.2 | R43 A44 R45 R50 R51 | R43-Q47 VanDerWaalsContact O-CB 3.28Å; R43-Q47 WeakPolarHBondContact O-CB 3.45Å; R43-Q47 PolarHBondContact O-N 3.32Å; A44-Q47 PolarHBondContact O-N 3.08Å; R45-Q47 VanDerWaalsContact C-N 3.32Å; R45-Q47 PolarHBondContact O-N 3.01Å; Q47-R50 PolarHBondContact O-N 3.16Å; Q47-R51 WeakPolarHBondContact O-CG 3.46Å; Q47-R51 PolarHBondContact O-N 3.07Å |
| 48 | K | 94.8 | Very high | 90.7 | Very high | 161 Ų | 161 | 111.1 Ų | 111.1 | 70% | 0.7 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 171.6 | -81.2 | -174.5 | 178.7 | -177.4 | 0 | 111.9 | A44 R45 E46 R51 H52 | A44-K48 WeakPolarHBondContact O-CG 3.48Å; A44-K48 PolarHBondContact O-N 3.44Å; R45-K48 PolarHBondContact O-N 3.32Å; E46-K48 PolarHBondContact O-N 3.33Å; K48-R51 PolarHBondContact O-N 3.45Å; K48-H52 PolarHBondContact O-N 3.36Å |
| 49 | R | 93.1 | Very high | 91.8 | Very high | 130 Ų | 130 | 110.7 Ų | 110.7 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.5 | -50.1 | 173.9 | -72 | -167.3 | -63 | -95.3 | 3 | 110.9 | R45 E46 R51 H52 D53 | R45-R49 PolarHBondContact O-N 3.34Å; E46-R49 WeakPolarHBondContact O-CB 3.48Å; E46-R49 PolarHBondContact O-N 2.86Å; E46-R49 IonicContact OE2-CZ 2.98Å; E46-R49 IonicContact OE2-NH2 2.9Å; E46-R49 PolarHBondContact OE2-NH2 3.08Å; R49-R51 VanDerWaalsContact C-N 3.31Å; R49-R51 PolarHBondContact O-N 2.83Å; R49-H52 WeakPolarHBondContact O-CB 3.47Å; R49-H52 PolarHBondContact O-N 3.41Å; R49-D53 VanDerWaalsContact O-CG 3.23Å; R49-D53 PolarHBondContact O-N 3.03Å |
| 50 | R | 94.6 | Very high | 92.4 | Very high | 162 Ų | 162 | 111.3 Ų | 111.3 | 61% | 0.611 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.2 | -38.3 | 178.7 | -69.3 | 178.1 | -173.3 | -151.8 | 2.8 | 113.3 | E46 Q47 A54 | E46-R50 WeakPolarHBondContact O-CG 3.39Å; E46-R50 PolarHBondContact O-N 2.9Å; E46-R50 IonicContact OE1-CZ 3.41Å; E46-R50 IonicContact OE1-NE 2.63Å; E46-R50 PolarHBondContact OE1-NE 3.34Å; E46-R50 VanDerWaalsContact OE1-NE 3.17Å; E46-R50 IonicContact OE1-NH2 3.8Å; E46-R50 PolarHBondContact OE1-NH2 3.05Å; Q47-R50 PolarHBondContact O-N 3.16Å; R50-A54 VanDerWaalsContact O-CB 3.22Å; R50-A54 WeakPolarHBondContact O-CB 3.48Å; R50-A54 PolarHBondContact O-N 3.4Å |
| 51 | R | 93.4 | Very high | 92.8 | Very high | 155 Ų | 155 | 114 Ų | 114 | 59% | 0.585 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 174.8 | -72.7 | 176.8 | -169.7 | -165.3 | 5.4 | 111.6 | Q47 K48 R49 A54 Q55 | Q47-R51 WeakPolarHBondContact O-CG 3.46Å; Q47-R51 PolarHBondContact O-N 3.07Å; K48-R51 PolarHBondContact O-N 3.45Å; R49-R51 VanDerWaalsContact C-N 3.31Å; R49-R51 PolarHBondContact O-N 2.83Å; R51-A54 PolarHBondContact O-N 3.14Å; R51-Q55 WeakPolarHBondContact O-CG 3.41Å; R51-Q55 PolarHBondContact O-N 3.04Å |
| 52 | H | 94.6 | Very high | 92.9 | Very high | 101 Ų | 101 | 118.9 Ų | 118.9 | 47% | 0.468 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 176 | -178.7 | -90.7 | 0 | 0 | 0 | 111.2 | K48 R49 A54 Q55 Q56 | K48-H52 PolarHBondContact O-N 3.36Å; R49-H52 WeakPolarHBondContact O-CB 3.47Å; R49-H52 PolarHBondContact O-N 3.41Å; H52-A54 VanDerWaalsContact C-N 3.33Å; H52-A54 PolarHBondContact O-N 3.41Å; H52-Q55 WeakPolarHBondContact O-CB 3.34Å; H52-Q55 PolarHBondContact O-N 3.1Å; H52-Q55 VanDerWaalsContact O-N 3.13Å; H52-Q56 WeakPolarHBondContact O-CG 3.32Å; H52-Q56 PolarHBondContact O-N 3.12Å |
| 53 | D | 94 | Very high | 93 | Very high | 88 Ų | 88 | 117.9 Ų | 117.9 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 178.4 | -61.4 | -19 | 0 | 0 | 0 | 111.5 | R49 Q55 Q56 L57 | R49-D53 VanDerWaalsContact O-CG 3.23Å; R49-D53 PolarHBondContact O-N 3.03Å; D53-Q55 VanDerWaalsContact C-N 3.34Å; D53-Q55 PolarHBondContact O-N 3.35Å; D53-Q56 PolarHBondContact O-N 3.48Å; D53-L57 WeakPolarHBondContact O-CG 3.49Å; D53-L57 PolarHBondContact O-N 3.21Å |
| 54 | A | 92.9 | Very high | 93.2 | Very high | 56 Ų | 56 | 117 Ų | 117 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | R50 R51 H52 L57 Q58 | R50-A54 VanDerWaalsContact O-CB 3.22Å; R50-A54 WeakPolarHBondContact O-CB 3.48Å; R50-A54 PolarHBondContact O-N 3.4Å; R51-A54 PolarHBondContact O-N 3.14Å; H52-A54 VanDerWaalsContact C-N 3.33Å; H52-A54 PolarHBondContact O-N 3.41Å; A54-L57 PolarHBondContact O-N 3.46Å; A54-Q58 WeakPolarHBondContact O-CB 3.5Å; A54-Q58 PolarHBondContact O-N 3.16Å |
| 55 | Q | 96.2 | Very high | 92.8 | Very high | 113 Ų | 113 | 118.3 Ų | 118.3 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 173.8 | -73.5 | 174.4 | 3.1 | 0 | 0 | 111.6 | R51 H52 D53 Q58 Q59 | R51-Q55 WeakPolarHBondContact O-CG 3.41Å; R51-Q55 PolarHBondContact O-N 3.04Å; H52-Q55 WeakPolarHBondContact O-CB 3.34Å; H52-Q55 PolarHBondContact O-N 3.1Å; H52-Q55 VanDerWaalsContact O-N 3.13Å; D53-Q55 VanDerWaalsContact C-N 3.34Å; D53-Q55 PolarHBondContact O-N 3.35Å; Q55-Q58 WeakPolarHBondContact O-CB 3.38Å; Q55-Q58 PolarHBondContact O-N 3.14Å; Q55-Q59 WeakPolarHBondContact O-CG 3.37Å; Q55-Q59 PolarHBondContact O-N 3.49Å |
| 56 | Q | 92.8 | Very high | 92.3 | Very high | 82 Ų | 82 | 117 Ų | 117 | 38% | 0.383 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 175.3 | -68.6 | -65.4 | -34.9 | 0 | 0 | 111.4 | H52 D53 Q58 Q59 L60 | H52-Q56 WeakPolarHBondContact O-CG 3.32Å; H52-Q56 PolarHBondContact O-N 3.12Å; D53-Q56 PolarHBondContact O-N 3.48Å; Q56-Q58 VanDerWaalsContact C-N 3.31Å; Q56-Q58 PolarHBondContact O-N 3.06Å; Q56-Q59 WeakPolarHBondContact O-CB 3.38Å; Q56-Q59 PolarHBondContact O-N 3Å; Q56-L60 WeakPolarHBondContact O-CG 3.37Å; Q56-L60 PolarHBondContact O-N 3.05Å |
| 57 | L | 94.6 | Very high | 91.8 | Very high | 118 Ų | 118 | 118.3 Ų | 118.3 | 62% | 0.618 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.3 | -36.8 | 175.6 | -70.9 | 173.2 | 0 | 0 | 0 | 112.3 | D53 A54 L60 K61 | D53-L57 WeakPolarHBondContact O-CG 3.49Å; D53-L57 PolarHBondContact O-N 3.21Å; A54-L57 PolarHBondContact O-N 3.46Å; L57-L60 PolarHBondContact O-N 2.9Å; L57-K61 WeakPolarHBondContact O-CB 3.49Å; L57-K61 PolarHBondContact O-N 2.74Å |
| 58 | Q | 94.4 | Very high | 90.6 | Very high | 143 Ų | 143 | 119.7 Ų | 119.7 | 67% | 0.668 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.8 | -39.4 | 174.9 | -169.4 | 177.2 | 13.4 | 0 | 0 | 111.9 | A54 Q55 Q56 K61 R62 | A54-Q58 WeakPolarHBondContact O-CB 3.5Å; A54-Q58 PolarHBondContact O-N 3.16Å; Q55-Q58 WeakPolarHBondContact O-CB 3.38Å; Q55-Q58 PolarHBondContact O-N 3.14Å; Q56-Q58 VanDerWaalsContact C-N 3.31Å; Q56-Q58 PolarHBondContact O-N 3.06Å; Q58-K61 PolarHBondContact O-N 3.05Å; Q58-R62 PolarHBondContact O-N 3.21Å |
| 59 | Q | 93.4 | Very high | 88.8 | Confident | 109 Ų | 109 | 114.6 Ų | 114.6 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.8 | -45.9 | 173.8 | -71.3 | 179.7 | -3.6 | 0 | 0 | 111.5 | Q55 Q56 K61 R62 L63 | Q55-Q59 WeakPolarHBondContact O-CG 3.37Å; Q55-Q59 PolarHBondContact O-N 3.49Å; Q56-Q59 WeakPolarHBondContact O-CB 3.38Å; Q56-Q59 PolarHBondContact O-N 3Å; Q59-K61 PolarHBondContact O-N 3.05Å; Q59-R62 WeakPolarHBondContact O-CB 3.26Å; Q59-R62 PolarHBondContact O-N 3.11Å; Q59-L63 WeakPolarHBondContact O-CG 3.35Å; Q59-L63 PolarHBondContact O-N 3.46Å |
| 60 | L | 93.6 | Very high | 86.9 | Confident | 102 Ų | 102 | 111.4 Ų | 111.4 | 53% | 0.534 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.8 | -43.7 | 175.8 | -71.8 | 174 | 0 | 0 | 0 | 111.8 | Q56 L57 R62 L63 E64 | Q56-L60 WeakPolarHBondContact O-CG 3.37Å; Q56-L60 PolarHBondContact O-N 3.05Å; L57-L60 PolarHBondContact O-N 2.9Å; L60-R62 VanDerWaalsContact C-N 3.3Å; L60-R62 PolarHBondContact O-N 3.07Å; L60-L63 PolarHBondContact O-N 3.35Å; L60-L63 VanDerWaalsContact O-N 3.14Å; L60-E64 WeakPolarHBondContact O-CB 3.42Å; L60-E64 PolarHBondContact O-N 3.09Å |
| 61 | K | 94.1 | Very high | 84.9 | Confident | 153 Ų | 153 | 111.1 Ų | 111.1 | 67% | 0.665 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.9 | -35.6 | 176.7 | -169.8 | 170.9 | -175 | 174 | 0 | 112.5 | L57 Q58 Q59 S65 | L57-K61 WeakPolarHBondContact O-CB 3.49Å; L57-K61 PolarHBondContact O-N 2.74Å; Q58-K61 PolarHBondContact O-N 3.05Å; Q59-K61 PolarHBondContact O-N 3.05Å; K61-S65 WeakPolarHBondContact O-CB 3.5Å; K61-S65 PolarHBondContact O-N 3.12Å |
| 62 | R | 89.9 | Confident | 82.8 | Confident | 187 Ų | 187 | 109 Ų | 109 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.6 | -44 | 172.8 | -173.1 | -178.8 | -177.7 | -174.5 | 0.9 | 111.1 | Q58 Q59 L60 S65 L66 | Q58-R62 PolarHBondContact O-N 3.21Å; Q59-R62 WeakPolarHBondContact O-CB 3.26Å; Q59-R62 PolarHBondContact O-N 3.11Å; L60-R62 VanDerWaalsContact C-N 3.3Å; L60-R62 PolarHBondContact O-N 3.07Å; R62-S65 PolarHBondContact O-N 2.95Å; R62-S65 PolarHBondContact O-OG 3.4Å; R62-L66 WeakPolarHBondContact O-CD1 3.48Å; R62-L66 PolarHBondContact O-N 3.15Å; R62-L66 VanDerWaalsContact O-N 3.15Å |
| 63 | L | 88.9 | Confident | 80.6 | Confident | 107 Ų | 107 | 107.5 Ų | 107.5 | 56% | 0.56 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.9 | -42.3 | 176.6 | -67.9 | 172.5 | 0 | 0 | 0 | 111.9 | Q59 L60 S65 L66 V67 | Q59-L63 WeakPolarHBondContact O-CG 3.35Å; Q59-L63 PolarHBondContact O-N 3.46Å; L60-L63 PolarHBondContact O-N 3.35Å; L60-L63 VanDerWaalsContact O-N 3.14Å; L63-S65 VanDerWaalsContact C-N 3.32Å; L63-S65 PolarHBondContact O-N 3.34Å; L63-L66 WeakPolarHBondContact O-CB 3.37Å; L63-L66 PolarHBondContact O-N 2.87Å; L63-L66 VanDerWaalsContact O-N 3.13Å; L63-V67 WeakPolarHBondContact O-CG2 3.43Å; L63-V67 PolarHBondContact O-N 3.49Å |
| 64 | E | 90.8 | Very high | 78.2 | Confident | 118 Ų | 118 | 108.9 Ų | 108.9 | 55% | 0.551 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.3 | -42.2 | 175.1 | -172.8 | 176.1 | -157.7 | 0 | 0 | 111.2 | L60 L66 V67 Q68 | L60-E64 WeakPolarHBondContact O-CB 3.42Å; L60-E64 PolarHBondContact O-N 3.09Å; E64-L66 VanDerWaalsContact C-N 3.3Å; E64-L66 PolarHBondContact O-N 3.34Å; E64-V67 PolarHBondContact O-N 3.46Å; E64-Q68 VanDerWaalsContact O-CB 3.29Å; E64-Q68 WeakPolarHBondContact O-CB 3.46Å; E64-Q68 PolarHBondContact O-N 3.39Å |
| 65 | S | 82.3 | Confident | 75.9 | Confident | 69 Ų | 69 | 115.5 Ų | 115.5 | 48% | 0.483 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.4 | -33.8 | 174.8 | 74.7 | 0 | 0 | 0 | 0 | 113.3 | K61 R62 L63 G69 | K61-S65 WeakPolarHBondContact O-CB 3.5Å; K61-S65 PolarHBondContact O-N 3.12Å; R62-S65 PolarHBondContact O-N 2.95Å; R62-S65 PolarHBondContact O-OG 3.4Å; L63-S65 VanDerWaalsContact C-N 3.32Å; L63-S65 PolarHBondContact O-N 3.34Å; S65-G69 PolarHBondContact O-N 3.33Å |
| 66 | L | 82 | Confident | 73.1 | Confident | 123 Ų | 123 | 118.2 Ų | 118.2 | 64% | 0.644 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.8 | -42.1 | 173.7 | -105.4 | 80.7 | 0 | 0 | 0 | 111.4 | R62 L63 E64 | R62-L66 WeakPolarHBondContact O-CD1 3.48Å; R62-L66 PolarHBondContact O-N 3.15Å; R62-L66 VanDerWaalsContact O-N 3.15Å; L63-L66 WeakPolarHBondContact O-CB 3.37Å; L63-L66 PolarHBondContact O-N 2.87Å; L63-L66 VanDerWaalsContact O-N 3.13Å; E64-L66 VanDerWaalsContact C-N 3.3Å; E64-L66 PolarHBondContact O-N 3.34Å |
| 67 | V | 82.3 | Confident | 71 | Confident | 99 Ų | 99 | 119.6 Ų | 119.6 | 60% | 0.6 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.7 | -37.5 | 178.9 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | L63 E64 G70 H71 | L63-V67 WeakPolarHBondContact O-CG2 3.43Å; L63-V67 PolarHBondContact O-N 3.49Å; E64-V67 PolarHBondContact O-N 3.46Å; V67-G70 PolarHBondContact O-N 3.49Å; V67-H71 PolarHBondContact O-CE1 3.31Å; V67-H71 PolarHBondContact O-ND1 2.89Å |
| 68 | Q | 70.8 | Confident | 68.5 | Low | 137 Ų | 137 | 124.3 Ų | 124.3 | 64% | 0.64 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -77.7 | -31.1 | -178.8 | -159.3 | 142.1 | 20.9 | 0 | 0 | 112.5 | E64 G70 H71 | E64-Q68 VanDerWaalsContact O-CB 3.29Å; E64-Q68 WeakPolarHBondContact O-CB 3.46Å; E64-Q68 PolarHBondContact O-N 3.39Å; Q68-G70 PolarHBondContact O-N 3.23Å; Q68-H71 PolarHBondContact O-N 3.21Å |
| 69 | G | 57 | Low | 65.6 | Low | 54 Ų | 54 | 120.7 Ų | 120.7 | 56% | 0.557 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -69.6 | -13.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S65 H71 | S65-G69 PolarHBondContact O-N 3.33Å; G69-H71 VanDerWaalsContact C-N 3.33Å |
| 70 | G | 52.8 | Low | 63.3 | Low | 64 Ų | 64 | 122.3 Ų | 122.3 | 66% | 0.66 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -81.5 | -2.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V67 Q68 | V67-G70 PolarHBondContact O-N 3.49Å; Q68-G70 PolarHBondContact O-N 3.23Å |
| 71 | H | 51.2 | Low | 60.6 | Low | 156 Ų | 156 | 123.8 Ų | 123.8 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -100 | 2.5 | -174 | -72.9 | 92.1 | 0 | 0 | 0 | 115 | V67 Q68 G69 | V67-H71 PolarHBondContact O-CE1 3.31Å; V67-H71 PolarHBondContact O-ND1 2.89Å; Q68-H71 PolarHBondContact O-N 3.21Å; G69-H71 VanDerWaalsContact C-N 3.33Å |
| 72 | S | 49.2 | Very low | 57.9 | Low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -110 | 70.3 | 175.7 | 62.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 73 | G | 50.1 | Low | 55.4 | Low | 70 Ų | 70 | 127.3 Ų | 127.3 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 176.3 | 45.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 74 | S | 42.3 | Very low | 52.9 | Low | 117 Ų | 117 | 127.7 Ų | 127.7 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -172.8 | 88.5 | 156.1 | 48.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 75 | Q | 45.7 | Very low | 50.4 | Low | 195 Ų | 195 | 125.1 Ų | 125.1 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | trans | -74.9 | 125.4 | 146.9 | -71.4 | -175.7 | 48.2 | 0 | 0 | 106.8 | ||||
| 76 | L | 37.7 | Very low | 48.7 | Very low | 169 Ų | 169 | 127.9 Ų | 127.9 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | trans | 175 | 159.1 | 148.1 | -92.8 | -168.4 | 0 | 0 | 0 | 109.5 | ||||
| 77 | P | 47.7 | Very low | 46.5 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | -101.9 | 166.8 | -107.6 | 38.9 | -38.6 | 0 | 0 | 0 | 114.7 | G79 | P77-G79 PolarHBondContact O-N 3.24Š| |||
| 78 | F | 41.8 | Very low | 44.7 | Very low | 218 Ų | 218 | 132.9 Ų | 132.9 | 96% | 0.956 | 79% | 0.79 | S | S | * | * | trans | -46.5 | 115.4 | 171.1 | -86.1 | -97 | 0 | 0 | 0 | 112.8 | ||||
| 79 | G | 33.1 | Very low | 42.9 | Very low | 66 Ų | 66 | 130 Ų | 130 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | -125.5 | 100.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P77 T81 | P77-G79 PolarHBondContact O-N 3.24Å; G79-T81 PolarHBondContact O-N 2.98Å; G79-T81 VanDerWaalsContact O-N 3.16Å | ||
| 80 | T | 46.9 | Very low | 42 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -61.4 | 108.4 | 168.3 | 22.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 81 | T | 36.8 | Very low | 41.3 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | trans | -128.7 | 126.2 | 157.4 | 51.1 | 0 | 0 | 0 | 0 | 109.8 | G79 | G79-T81 PolarHBondContact O-N 2.98Å; G79-T81 VanDerWaalsContact O-N 3.16Å | ||
| 82 | R | 36.9 | Very low | 40.6 | Very low | 242 Ų | 242 | 133.7 Ų | 133.7 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | trans | -75.3 | 130.3 | -177.2 | -69.7 | 161 | 84.5 | -177.3 | 4.8 | 108.3 | S84 | R82-S84 PolarHBondContact O-N 3.47Å; R82-S84 VanDerWaalsContact O-N 3.12Å | ||
| 83 | N | 37 | Very low | 40.2 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 91% | 0.914 | 83% | 0.83 | S | S | * | * | trans | -54.9 | 111 | 163.8 | -71.2 | -46 | 0 | 0 | 0 | 110.7 | ||||
| 84 | S | 37.5 | Very low | 39.8 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -98.5 | 97.2 | 155.9 | 50.2 | 0 | 0 | 0 | 0 | 107.9 | R82 | R82-S84 PolarHBondContact O-N 3.47Å; R82-S84 VanDerWaalsContact O-N 3.12Å | ||
| 85 | G | 37.9 | Very low | 39.4 | Very low | 65 Ų | 65 | 144.3 Ų | 144.3 | 67% | 0.67 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 140.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 86 | P | 45.7 | Very low | 38.9 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 125.2 | 174.2 | 27.7 | -30.2 | 0 | 0 | 0 | 111.2 | ||
| 87 | D | 36.5 | Very low | 38.9 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -64 | 122.4 | 156.6 | -94.6 | -49 | 0 | 0 | 0 | 108.6 | ||
| 88 | L | 44.1 | Very low | 37.9 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -131.2 | 128.3 | 152 | -73.9 | 178 | 0 | 0 | 0 | 108.7 | ||||
| 89 | G | 33.3 | Very low | 37.6 | Very low | 77 Ų | 77 | 145.6 Ų | 145.6 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -56.1 | 154 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 90 | G | 38.4 | Very low | 37.6 | Very low | 79 Ų | 79 | 151.5 Ų | 151.5 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | 90.1 | 58 | 58.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 91 | L | 38.3 | Very low | 36.9 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 88% | 0.88 | 83% | 0.83 | S | S | * | * | trans | -123.8 | 109.7 | 160.8 | -70.5 | 176.5 | 0 | 0 | 0 | 108 | ||||
| 92 | A | 36.3 | Very low | 37.6 | Very low | 104 Ų | 104 | 147 Ų | 147 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -74 | 123.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 93 | L | 40.8 | Very low | 37.5 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 131.6 | 165.5 | -73.4 | 170.6 | 0 | 0 | 0 | 109.1 | ||
| 94 | P | 40.2 | Very low | 37.4 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74 | 147.7 | -178 | 29.9 | -31.9 | 0 | 0 | 0 | 111.1 | L96 | P94-L96 PolarHBondContact O-N 3.48Š|
| 95 | W | 35.3 | Very low | 37.7 | Very low | 253 Ų | 253 | 142 Ų | 142 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -56.1 | 115.4 | 174.6 | -72.3 | 38.2 | 0 | 0 | 0 | 110.1 | Q97 | W95-Q97 PolarHBondContact O-N 2.96Š| ||
| 96 | L | 35.2 | Very low | 37.4 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -83.3 | 114.4 | 161.5 | -111.5 | 94.8 | 0 | 0 | 0 | 109.1 | P94 F98 | P94-L96 PolarHBondContact O-N 3.48Å; L96-F98 PolarHBondContact O-N 3.37Å | ||
| 97 | Q | 38.3 | Very low | 37.4 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -69.6 | 97.8 | 174.9 | -171.3 | 161 | -9.2 | 0 | 0 | 109.3 | W95 K99 | W95-Q97 PolarHBondContact O-N 2.96Å; Q97-K99 PolarHBondContact O-N 2.91Å | ||
| 98 | F | 26.4 | Very low | 37.4 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -78.7 | 106.6 | 169.4 | -159.3 | -98 | 0 | 0 | 0 | 107.9 | L96 E100 | L96-F98 PolarHBondContact O-N 3.37Å; F98-E100 PolarHBondContact O-N 3.29Å | ||
| 99 | K | 34.2 | Very low | 36.7 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -74 | 116.9 | 169.9 | -84.9 | -175.5 | 170.8 | -176.6 | 0 | 108.4 | Q97 | Q97-K99 PolarHBondContact O-N 2.91Š| ||
| 100 | E | 33.8 | Very low | 36.8 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -67.8 | 130.3 | 159.8 | -70.4 | 172.1 | 157.2 | 0 | 0 | 108.6 | F98 | F98-E100 PolarHBondContact O-N 3.29Š| ||
| 101 | G | 32.9 | Very low | 36.7 | Very low | 68 Ų | 68 | 148.2 Ų | 148.2 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | -123.1 | 150.7 | 167 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 102 | P | 49.7 | Very low | 36.7 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | -96.8 | 154.3 | -160 | 27.8 | -13.5 | 0 | 0 | 0 | 114.3 | ||||
| 103 | D | 36.5 | Very low | 36.6 | Very low | 152 Ų | 152 | 152.3 Ų | 152.3 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | 49.1 | 116.4 | 148.6 | -53.1 | -46.8 | 0 | 0 | 0 | 120.8 | ||||
| 104 | D | 34 | Very low | 36.2 | Very low | 143 Ų | 143 | 152.4 Ų | 152.4 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | 164 | 120.9 | 105.7 | -153.5 | -72.2 | 0 | 0 | 0 | 111.3 | G106 | D104-G106 PolarHBondContact O-N 3.29Š| |||
| 105 | P | 43.7 | Very low | 35.8 | Very low | 127 Ų | 127 | 152.6 Ų | 152.6 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -88.7 | 86 | 170.2 | 33.9 | -29.1 | 0 | 0 | 0 | 110.9 | E107 | P105-E107 PolarHBondContact O-N 2.88Š| ||
| 106 | G | 32 | Very low | 35.6 | Very low | 62 Ų | 62 | 151.2 Ų | 151.2 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | trans | -62.5 | 126.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D104 C108 | D104-G106 PolarHBondContact O-N 3.29Å; G106-C108 PolarHBondContact O-N 3.48Å | ||
| 107 | E | 45.5 | Very low | 35.6 | Very low | 200 Ų | 200 | 151.6 Ų | 151.6 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | trans | -44 | 127.7 | 172.9 | -64.3 | -179.5 | 134 | 0 | 0 | 112.7 | P105 | P105-E107 PolarHBondContact O-N 2.88Š| ||
| 108 | C | 35.9 | Very low | 35.7 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | -127.5 | 94.9 | 159.6 | 69.5 | 0 | 0 | 0 | 0 | 110.7 | G106 | G106-C108 PolarHBondContact O-N 3.48Š| ||
| 109 | G | 31 | Very low | 36.8 | Very low | 68 Ų | 68 | 148.8 Ų | 148.8 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 52.4 | 89.1 | 140.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | K111 | G109-K111 PolarHBondContact O-N 3.5Š| ||
| 110 | V | 34.2 | Very low | 37.3 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 92% | 0.915 | 81% | 0.806 | S | S | * | * | trans | -55 | 101.7 | 156.1 | -179.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 111 | K | 37.4 | Very low | 37.6 | Very low | 195 Ų | 195 | 143 Ų | 143 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -100.2 | 109.1 | 158.3 | -75.7 | -175.3 | 179.6 | 176.7 | 0 | 108.2 | G109 I113 | G109-K111 PolarHBondContact O-N 3.5Å; K111-I113 PolarHBondContact O-N 3.21Å; K111-I113 VanDerWaalsContact O-N 3.08Å | ||
| 112 | K | 36.7 | Very low | 37.8 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -36.1 | 104.1 | 171 | -133.7 | 168.3 | -176.1 | 173.8 | 0 | 110.8 | Q114 | K112-Q114 PolarHBondContact O-N 3.48Š| ||
| 113 | I | 35.8 | Very low | 37.3 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -80.8 | 110.4 | 159.5 | -63 | 176.2 | 0 | 0 | 0 | 105 | K111 S115 | K111-I113 PolarHBondContact O-N 3.21Å; K111-I113 VanDerWaalsContact O-N 3.08Å; I113-S115 PolarHBondContact O-N 3Å | ||
| 114 | Q | 32.4 | Very low | 37.5 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | trans | -58.2 | 124.3 | 168.8 | -74.7 | 177.4 | 4.2 | 0 | 0 | 108.3 | K112 Y116 | K112-Q114 PolarHBondContact O-N 3.48Å; Q114-Y116 PolarHBondContact O-N 2.88Å; Q114-Y116 VanDerWaalsContact O-N 3.16Å | ||
| 115 | S | 31.6 | Very low | 37.5 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -51.3 | 111.1 | 164.6 | 42.7 | 0 | 0 | 0 | 0 | 109.8 | I113 E117 | I113-S115 PolarHBondContact O-N 3Å; S115-E117 PolarHBondContact O-N 3.44Å | ||
| 116 | Y | 30.6 | Very low | 37.7 | Very low | 224 Ų | 224 | 146.6 Ų | 146.6 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | trans | -80.2 | 105.8 | 161.8 | -119.5 | -93.6 | 0 | 0 | 0 | 107.4 | Q114 | Q114-Y116 PolarHBondContact O-N 2.88Å; Q114-Y116 VanDerWaalsContact O-N 3.16Å | ||
| 117 | E | 35.6 | Very low | 37.6 | Very low | 178 Ų | 178 | 154.5 Ų | 154.5 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66 | 132.9 | 164 | -74.8 | -167.7 | 133.8 | 0 | 0 | 109.2 | S115 | S115-E117 PolarHBondContact O-N 3.44Š|
| 118 | K | 39.9 | Very low | 37.2 | Very low | 199 Ų | 199 | 152.4 Ų | 152.4 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 124.3 | 175.7 | -168.3 | 176.9 | -173.2 | 179.1 | 0 | 108.2 | ||
| 119 | P | 48.6 | Very low | 37 | Very low | 110 Ų | 110 | 150.2 Ų | 150.2 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 143.5 | 176.1 | 28.5 | -31.4 | 0 | 0 | 0 | 110.2 | ||
| 120 | P | 44.5 | Very low | 37.1 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 149.6 | 178.9 | 28.9 | -32.9 | 0 | 0 | 0 | 111.4 | ||
| 121 | P | 40.7 | Very low | 37 | Very low | 133 Ų | 133 | 154 Ų | 154 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -82 | 130.9 | -178.1 | 32.4 | -30.9 | 0 | 0 | 0 | 110.8 | ||
| 122 | G | 38.5 | Very low | 36.7 | Very low | 70 Ų | 70 | 153.5 Ų | 153.5 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | 125.4 | 99.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 123 | L | 38.7 | Very low | 36.5 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | 179.2 | 80.7 | 142.9 | -101 | 156 | 0 | 0 | 0 | 108.3 | K125 | L123-K125 HydrophobicContact CD2-CD 4.26Å; L123-K125 HydrophobicContact CD2-CG 4.19Å | ||
| 124 | I | 39.3 | Very low | 37.2 | Very low | 173 Ų | 173 | 147 Ų | 147 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | -87 | 109 | 158.6 | -62 | 174.1 | 0 | 0 | 0 | 105.5 | ||||
| 125 | K | 35.5 | Very low | 37.1 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 73% | 0.726 | 80% | 0.804 | S | S | * | * | trans | -113.9 | 136.9 | 159.7 | -78.6 | -175.9 | 178.5 | 178.9 | 0 | 108.4 | L123 | L123-K125 HydrophobicContact CD2-CD 4.26Å; L123-K125 HydrophobicContact CD2-CG 4.19Å | ||
| 126 | P | 47.7 | Very low | 37.1 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -80.8 | 137.7 | -179.2 | 33.6 | -31.3 | 0 | 0 | 0 | 109.4 | ||||
| 127 | Y | 30.3 | Very low | 37.1 | Very low | 228 Ų | 228 | 141.1 Ų | 141.1 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | -110.6 | 114.4 | 166.5 | -122.6 | -92.1 | 0 | 0 | 0 | 110 | ||||
| 128 | L | 36.2 | Very low | 36.8 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -66.6 | 144.7 | 165.1 | -91.9 | 156.4 | 0 | 0 | 0 | 110.6 | ||||
| 129 | A | 32.6 | Very low | 36.3 | Very low | 82 Ų | 82 | 135 Ų | 135 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | 47.2 | 116.7 | 141.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 130 | Q | 32.4 | Very low | 35.6 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -146.2 | 116 | 132.4 | -112.9 | 163.8 | 83.6 | 0 | 0 | 110.8 | ||||
| 131 | S | 31.4 | Very low | 34.9 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 130 | 170.1 | 47 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 132 | L | 31.5 | Very low | 34.3 | Very low | 184 Ų | 184 | 135.9 Ų | 135.9 | 96% | 0.963 | 78% | 0.783 | S | S | * | * | trans | -141.8 | 127.1 | 143.9 | -74.9 | 175.8 | 0 | 0 | 0 | 107.8 | ||||
| 133 | S | 33.3 | Very low | 33.9 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -120.3 | -174.3 | 176.8 | 62.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 134 | P | 50.7 | Low | 33.6 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | cis | -136.2 | 162 | -45.5 | 29.7 | -10.6 | 0 | 0 | 0 | 113 | ||||
| 135 | S | 28.8 | Very low | 33.4 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 177.4 | 131.5 | 144.8 | 49.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 136 | C | 31.4 | Very low | 33.1 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | cis | -141.1 | 143.7 | 17.8 | -76.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 137 | V | 31.2 | Very low | 32.3 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -20.6 | 147 | 144.9 | -85.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 138 | G | 29.9 | Very low | 32.5 | Very low | 62 Ų | 62 | 127.8 Ų | 127.8 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | cis | -158.8 | 154.4 | 23.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 139 | F | 29.6 | Very low | 32.4 | Very low | 187 Ų | 187 | 129 Ų | 129 | 82% | 0.82 | 78% | 0.782 | S | S | * | * | 68.1 | 120.6 | 96.2 | -106 | -116.1 | 0 | 0 | 0 | 112.2 | |||||
| 140 | L | 32.4 | Very low | 32.5 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | cis | -155.3 | 131.2 | 26.3 | -81.1 | 148.1 | 0 | 0 | 0 | 107.9 | ||||
| 141 | S | 30.8 | Very low | 32.5 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | 71 | 112.3 | 79.7 | -74.5 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 142 | I | 29 | Very low | 32.5 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | 67.1 | 128.1 | 129.2 | -50.2 | 163.7 | 0 | 0 | 0 | 115.3 | |||||
| 143 | S | 29.5 | Very low | 32.4 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | -172.2 | 151.9 | 65.1 | -19.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 144 | S | 32.2 | Very low | 33.1 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -61 | 145.7 | 158.4 | -57.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 145 | S | 34.3 | Very low | 32.3 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -168.3 | 121.2 | 141.7 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 146 | E | 30.7 | Very low | 32.4 | Very low | 179 Ų | 179 | 132 Ų | 132 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | 15.8 | 138.1 | 143.6 | -72.8 | 176.8 | 85.5 | 0 | 0 | 123.1 | ||||
| 147 | S | 30.9 | Very low | 32.5 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | 54.6 | 115.5 | 128 | -54.6 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 148 | S | 33.2 | Very low | 33.1 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -178.4 | 127.6 | 113.2 | -77.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 149 | Q | 35.1 | Very low | 33.2 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -59.9 | 130.1 | 158.3 | -67.7 | 169 | 3.7 | 0 | 0 | 109.2 | ||||
| 150 | L | 33.8 | Very low | 33.3 | Very low | 175 Ų | 175 | 137 Ų | 137 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -149.7 | 128.7 | 145.1 | -86.1 | -175.3 | 0 | 0 | 0 | 110.8 | ||||
| 151 | R | 32.6 | Very low | 33.6 | Very low | 241 Ų | 241 | 137.4 Ų | 137.4 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -65.2 | 151.9 | 170.2 | -61.4 | 171.6 | -130.5 | -110.8 | -3.3 | 110 | ||||
| 152 | G | 30.5 | Very low | 33.9 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 166.7 | 88.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 153 | D | 31.3 | Very low | 34.2 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -110.5 | 159.7 | 142.3 | -96.8 | -32.9 | 0 | 0 | 0 | 105.4 | ||||
| 154 | P | 47.8 | Very low | 34.5 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | cis | -148.9 | 179.2 | 23 | 32.7 | -7.5 | 0 | 0 | 0 | 117.5 | ||||
| 155 | T | 32.6 | Very low | 34.6 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 89.6 | 123.1 | 142.6 | 1.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 156 | A | 31.3 | Very low | 34.7 | Very low | 80 Ų | 80 | 135.5 Ų | 135.5 | 66% | 0.661 | 81% | 0.811 | S | S | * | * | trans | 108.4 | 95.9 | 133.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 157 | H | 34.4 | Very low | 35.1 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | 45.3 | 169.5 | 130.5 | -59 | -76.6 | 0 | 0 | 0 | 123.2 | ||||
| 158 | P | 43.2 | Very low | 35.8 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | -125.1 | 159.2 | -67.1 | 36.7 | -20.5 | 0 | 0 | 0 | 111.7 | |||||
| 159 | V | 32.7 | Very low | 35.9 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -126.4 | 122.8 | 168.7 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 160 | Q | 31.8 | Very low | 36.2 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -82.4 | 150.3 | 178.6 | -161.1 | 81.5 | 23.5 | 0 | 0 | 111.1 | ||||
| 161 | L | 38.3 | Very low | 36.7 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -65.4 | 172.2 | -164 | -56.6 | 159.4 | 0 | 0 | 0 | 116.4 | ||||
| 162 | P | 37.7 | Very low | 36.7 | Very low | 134 Ų | 134 | 118.1 Ų | 118.1 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | -149.3 | 149.3 | 97.1 | 36.6 | -18.8 | 0 | 0 | 0 | 116.7 | |||||
| 163 | G | 35.2 | Very low | 37.2 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | 107.5 | 119.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 164 | G | 35.5 | Very low | 37.3 | Very low | 85 Ų | 85 | 119.9 Ų | 119.9 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | cis | 137.5 | 84.2 | 18.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 165 | G | 33.8 | Very low | 36.7 | Very low | 78 Ų | 78 | 120.4 Ų | 120.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 127.3 | 93.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 166 | I | 35.9 | Very low | 36.7 | Very low | 171 Ų | 171 | 124.6 Ų | 124.6 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -121.8 | 123.4 | 163 | -61.6 | 174.6 | 0 | 0 | 0 | 107.2 | ||||
| 167 | L | 39.6 | Very low | 37.1 | Very low | 155 Ų | 155 | 129 Ų | 129 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 146.7 | 171.8 | -67.6 | 154.4 | 0 | 0 | 0 | 110.9 | A169 | L167-A169 PolarHBondContact O-N 3.23Š|
| 168 | P | 44.6 | Very low | 37.6 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 116.8 | 173.7 | 25.2 | -32 | 0 | 0 | 0 | 109.4 | A170 | P168-A170 PolarHBondContact O-N 3.33Š|
| 169 | A | 35.9 | Very low | 37.9 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 126.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | L167 | L167-A169 PolarHBondContact O-N 3.23Š|
| 170 | A | 41.4 | Very low | 39.1 | Very low | 73 Ų | 73 | 127 Ų | 127 | 60% | 0.603 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 140.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P168 G172 | P168-A170 PolarHBondContact O-N 3.33Å; A170-G172 PolarHBondContact O-N 3.41Å |
| 171 | P | 44.8 | Very low | 40.7 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 116 | 177.6 | 22.9 | -31.1 | 0 | 0 | 0 | 108.6 | Y173 | P171-Y173 PolarHBondContact O-N 3.27Š|
| 172 | G | 32.9 | Very low | 41.7 | Very low | 72 Ų | 72 | 121 Ų | 121 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | -54.8 | 114.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | A170 G174 | A170-G172 PolarHBondContact O-N 3.41Å; G172-G174 VanDerWaalsContact C-N 3.28Å; G172-G174 PolarHBondContact O-N 3.16Å | ||
| 173 | Y | 40.1 | Very low | 43 | Very low | 201 Ų | 201 | 116 Ų | 116 | 79% | 0.788 | 72% | 0.717 | S | S | * | * | trans | -58.3 | 100.5 | 164.2 | -44.8 | -88.9 | 0 | 0 | 0 | 105.6 | P171 T175 | P171-Y173 PolarHBondContact O-N 3.27Å; Y173-T175 PolarHBondContact O-N 2.91Å | ||
| 174 | G | 34.4 | Very low | 44.4 | Very low | 71 Ų | 71 | 117.9 Ų | 117.9 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | trans | -61.7 | 94.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | G172 R176 | G172-G174 VanDerWaalsContact C-N 3.28Å; G172-G174 PolarHBondContact O-N 3.16Å; G174-R176 PolarHBondContact O-N 3.32Å | ||
| 175 | T | 35 | Very low | 46 | Very low | 119 Ų | 119 | 117.7 Ų | 117.7 | 73% | 0.73 | 69% | 0.694 | S | S | * | * | trans | -60.4 | 93.7 | 155.2 | 43.3 | 0 | 0 | 0 | 0 | 104.8 | Y173 E177 | Y173-T175 PolarHBondContact O-N 2.91Å; T175-E177 PolarHBondContact O-N 2.81Å | ||
| 176 | R | 31.6 | Very low | 47.6 | Very low | 215 Ų | 215 | 114.7 Ų | 114.7 | 81% | 0.811 | 66% | 0.659 | S | S | * | * | trans | -53.7 | 108.4 | 148.9 | -80.6 | -173.9 | 173.5 | -170.7 | -1.6 | 103.6 | G174 D178 | G174-R176 PolarHBondContact O-N 3.32Å; R176-D178 PolarHBondContact O-N 3.5Å | ||
| 177 | E | 40.4 | Very low | 49.3 | Very low | 174 Ų | 174 | 109.7 Ų | 109.7 | 81% | 0.813 | 64% | 0.638 | S | S | * | * | trans | -65.5 | 74.5 | 160 | -65.3 | -175.8 | 154.9 | 0 | 0 | 105.7 | T175 E179 | T175-E177 PolarHBondContact O-N 2.81Å; E177-E179 PolarHBondContact O-N 3.36Å | ||
| 178 | D | 44 | Very low | 50.7 | Low | 129 Ų | 129 | 109 Ų | 109 | 69% | 0.69 | 64% | 0.635 | S | S | * | * | trans | -63.1 | 99.9 | 151.3 | -72.2 | -35.3 | 0 | 0 | 0 | 102.9 | R176 A180 | R176-D178 PolarHBondContact O-N 3.5Å; D178-A180 PolarHBondContact O-N 3.12Å | ||
| 179 | E | 51.4 | Low | 51.8 | Low | 179 Ų | 179 | 107.3 Ų | 107.3 | 84% | 0.836 | 62% | 0.618 | S | S | * | * | trans | -42.8 | 101.7 | 177.4 | -77.3 | 174 | 139.5 | 0 | 0 | 108 | E177 K181 | E177-E179 PolarHBondContact O-N 3.36Å; E179-K181 PolarHBondContact O-N 2.9Å | ||
| 180 | A | 57.6 | Low | 52.9 | Low | 88 Ų | 88 | 107.8 Ų | 107.8 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | trans | -58.6 | 110.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | D178 | D178-A180 PolarHBondContact O-N 3.12Š| ||
| 181 | K | 63.7 | Low | 54.2 | Low | 124 Ų | 124 | 106.7 Ų | 106.7 | 54% | 0.539 | 61% | 0.609 | S | S | . | * | trans | -67.7 | 145 | -168.8 | -61.7 | 172.5 | 173 | -177.8 | 0 | 108 | E179 E183 D184 | E179-K181 PolarHBondContact O-N 2.9Å; K181-E183 HydrophobicContact CB-CG 3.81Å; K181-E183 VanDerWaalsContact CB-OE1 3.3Å; K181-E183 WeakPolarHBondContact CB-OE1 3.35Å; K181-E183 VanDerWaalsContact CB-OE2 3.31Å; K181-E183 WeakPolarHBondContact CB-OE2 3.45Å; K181-E183 VanDerWaalsContact CD-OE1 3.25Å; K181-E183 WeakPolarHBondContact CD-OE1 3.31Å; K181-E183 PolarHBondContact O-N 3.16Å; K181-D184 PolarHBondContact N-OD2 3.41Å; K181-D184 WeakPolarHBondContact O-CB 3.23Å; K181-D184 PolarHBondContact O-N 3.44Å | ||
| 182 | P | 61 | Low | 55.4 | Low | 68 Ų | 68 | 102.6 Ų | 102.6 | 44% | 0.442 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -57.2 | -22.2 | -173.1 | 21.6 | -32.7 | 0 | 0 | 0 | 113.8 | ||
| 183 | E | 63.5 | Low | 57.4 | Low | 29 Ų | 29 | 105 Ų | 105 | 14% | 0.136 | 57% | 0.573 | C | S | . | * | G | 310 helix | trans | -67.5 | -27.7 | 172 | 54.1 | -96.3 | -140.2 | 0 | 0 | 115.6 | K181 S185 I186 R196 | K181-E183 HydrophobicContact CB-CG 3.81Å; K181-E183 VanDerWaalsContact CB-OE1 3.3Å; K181-E183 WeakPolarHBondContact CB-OE1 3.35Å; K181-E183 VanDerWaalsContact CB-OE2 3.31Å; K181-E183 WeakPolarHBondContact CB-OE2 3.45Å; K181-E183 VanDerWaalsContact CD-OE1 3.25Å; K181-E183 WeakPolarHBondContact CD-OE1 3.31Å; K181-E183 PolarHBondContact O-N 3.16Å; E183-S185 PolarHBondContact O-N 2.95Å; E183-I186 WeakPolarHBondContact O-CB 3.39Å; E183-I186 PolarHBondContact O-N 3.48Å; E183-R196 HydrophobicContact CB-CG 3.63Å |
| 184 | D | 64.8 | Low | 58.9 | Low | 115 Ų | 115 | 104 Ų | 104 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -78.1 | -13 | -173.5 | -65.3 | -35.6 | 0 | 0 | 0 | 112.5 | K181 I186 | K181-D184 PolarHBondContact N-OD2 3.41Å; K181-D184 WeakPolarHBondContact O-CB 3.23Å; K181-D184 PolarHBondContact O-N 3.44Å; D184-I186 PolarHBondContact O-N 3.25Å |
| 185 | S | 69.8 | Low | 60.7 | Low | 81 Ų | 81 | 102.1 Ų | 102.1 | 57% | 0.566 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -78.2 | -7.5 | 171.4 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | E183 P187 Y228 | E183-S185 PolarHBondContact O-N 2.95Å; S185-P187 WeakPolarHBondContact O-CD 3.39Å; S185-Y228 PolarHBondContact O-OH 3.33Å |
| 186 | I | 66.9 | Low | 62.7 | Low | 15 Ų | 15 | 99.1 Ų | 99.1 | 8% | 0.077 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -100.2 | 113.1 | -175.3 | -61 | -171 | 0 | 0 | 0 | 110.4 | E183 D184 N192 A195 R196 L199 | E183-I186 WeakPolarHBondContact O-CB 3.39Å; E183-I186 PolarHBondContact O-N 3.48Å; D184-I186 PolarHBondContact O-N 3.25Å; I186-N192 HydrophobicContact CG2-CB 3.77Å; I186-N192 WeakPolarHBondContact CG2-ND2 3.29Å; I186-A195 HydrophobicContact CD1-CB 4.01Å; I186-R196 PolarHBondContact O-NH2 3.12Å; I186-L199 HydrophobicContact CD1-CD1 3.6Å |
| 187 | P | 71.7 | Confident | 64.6 | Low | 66 Ų | 66 | 94.9 Ų | 94.9 | 43% | 0.429 | 51% | 0.512 | S | S | . | . | trans | -61 | 144.1 | 179.8 | -23.5 | 33.5 | 0 | 0 | 0 | 113.9 | S185 I189 | S185-P187 WeakPolarHBondContact O-CD 3.39Å; P187-I189 VanDerWaalsContact C-N 3.3Å; P187-I189 HydrophobicContact CB-CD1 4.08Å; P187-I189 HydrophobicContact CB-CG1 4.17Å; P187-I189 PolarHBondContact O-N 3.2Å | ||
| 188 | D | 69.1 | Low | 66.3 | Low | 140 Ų | 140 | 92.6 Ų | 92.6 | 75% | 0.749 | 50% | 0.499 | S | S | * | . | trans | -69.4 | 76.3 | 174.3 | -87.6 | -38.2 | 0 | 0 | 0 | 112.4 | R196 | D188-R196 IonicContact OD1-CZ 3.01Å; D188-R196 IonicContact OD1-NH1 2.63Å; D188-R196 PolarHBondContact OD1-NH1 3.4Å; D188-R196 IonicContact OD1-NH2 2.68Å; D188-R196 PolarHBondContact OD1-NH2 2.75Å | ||
| 189 | I | 67.9 | Low | 67.7 | Low | 90 Ų | 90 | 87.9 Ų | 87.9 | 46% | 0.462 | 47% | 0.474 | S | S | . | . | trans | -124 | 137.6 | 176.5 | -56.3 | 173 | 0 | 0 | 0 | 108.4 | P187 G191 N192 | P187-I189 VanDerWaalsContact C-N 3.3Å; P187-I189 HydrophobicContact CB-CD1 4.08Å; P187-I189 HydrophobicContact CB-CG1 4.17Å; P187-I189 PolarHBondContact O-N 3.2Å; I189-G191 PolarHBondContact O-N 3.04Å; I189-G191 VanDerWaalsContact O-N 3.13Å; I189-N192 PolarHBondContact O-N 3.5Å; I189-N192 VanDerWaalsContact O-N 3.13Å | ||
| 190 | P | 57.8 | Low | 68.7 | Low | 106 Ų | 106 | 81.9 Ų | 81.9 | 69% | 0.688 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 120.9 | 176.8 | 22.7 | -34.3 | 0 | 0 | 0 | 110.4 | ||
| 191 | G | 69.5 | Low | 69.4 | Low | 51 Ų | 51 | 85 Ų | 85 | 53% | 0.526 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 115.5 | -18.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I189 | I189-G191 PolarHBondContact O-N 3.04Å; I189-G191 VanDerWaalsContact O-N 3.13Å |
| 192 | N | 70.6 | Confident | 69.6 | Low | 22 Ų | 22 | 80.3 Ų | 80.3 | 12% | 0.118 | 44% | 0.439 | C | S | . | . | trans | -95.7 | -5.8 | 176.6 | -128.4 | -0.7 | 0 | 0 | 0 | 113.2 | I186 I189 Y194 A195 R196 | I186-N192 HydrophobicContact CG2-CB 3.77Å; I186-N192 WeakPolarHBondContact CG2-ND2 3.29Å; I189-N192 PolarHBondContact O-N 3.5Å; I189-N192 VanDerWaalsContact O-N 3.13Å; N192-Y194 VanDerWaalsContact C-N 3.3Å; N192-Y194 PolarHBondContact O-N 2.95Å; N192-A195 PolarHBondContact O-N 3.13Å; N192-A195 VanDerWaalsContact O-N 3.14Å; N192-R196 PolarHBondContact O-N 3.34Å; N192-R196 VanDerWaalsContact O-N 3.11Å | ||
| 193 | E | 74.5 | Confident | 69.7 | Low | 121 Ų | 121 | 82.5 Ų | 82.5 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -55 | -43.5 | -179.7 | -66 | 167.6 | -162.1 | 0 | 0 | 112 | A195 R196 E197 | E193-A195 PolarHBondContact O-N 3.46Å; E193-R196 WeakPolarHBondContact O-CB 3.31Å; E193-R196 PolarHBondContact O-N 2.93Å; E193-E197 PolarHBondContact O-N 3.19Å |
| 194 | Y | 70.6 | Confident | 69.4 | Low | 182 Ų | 182 | 87 Ų | 87 | 71% | 0.714 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.6 | -37.9 | 178.9 | -178.9 | -98.9 | 0 | 0 | 0 | 112.8 | N192 R196 F198 | N192-Y194 VanDerWaalsContact C-N 3.3Å; N192-Y194 PolarHBondContact O-N 2.95Å; Y194-R196 VanDerWaalsContact C-N 3.31Å; Y194-F198 VanDerWaalsContact O-CB 3.23Å; Y194-F198 WeakPolarHBondContact O-CB 3.48Å; Y194-F198 PolarHBondContact O-N 3.13Å |
| 195 | A | 72.5 | Confident | 68.7 | Low | 30 Ų | 30 | 91 Ų | 91 | 25% | 0.248 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -68.5 | -35.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I186 N192 E193 L199 | I186-A195 HydrophobicContact CD1-CB 4.01Å; N192-A195 PolarHBondContact O-N 3.13Å; N192-A195 VanDerWaalsContact O-N 3.14Å; E193-A195 PolarHBondContact O-N 3.46Å; A195-L199 WeakPolarHBondContact O-CG 3.27Å; A195-L199 PolarHBondContact O-N 2.88Å; A195-L199 VanDerWaalsContact O-N 3.07Å |
| 196 | R | 76.9 | Confident | 67.8 | Low | 57 Ų | 57 | 89.1 Ų | 89.1 | 22% | 0.215 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -67.3 | -49.6 | 174.5 | -163 | -176 | -67.6 | 133.1 | -3.5 | 112.2 | E183 I186 D188 N192 E193 Y194 F198 L199 A200 | E183-R196 HydrophobicContact CB-CG 3.63Å; I186-R196 PolarHBondContact O-NH2 3.12Å; D188-R196 IonicContact OD1-CZ 3.01Å; D188-R196 IonicContact OD1-NH1 2.63Å; D188-R196 PolarHBondContact OD1-NH1 3.4Å; D188-R196 IonicContact OD1-NH2 2.68Å; D188-R196 PolarHBondContact OD1-NH2 2.75Å; N192-R196 PolarHBondContact O-N 3.34Å; N192-R196 VanDerWaalsContact O-N 3.11Å; E193-R196 WeakPolarHBondContact O-CB 3.31Å; E193-R196 PolarHBondContact O-N 2.93Å; Y194-R196 VanDerWaalsContact C-N 3.31Å; R196-F198 VanDerWaalsContact C-N 3.29Å; R196-F198 PolarHBondContact O-N 2.89Å; R196-L199 PolarHBondContact O-N 3.19Å; R196-A200 VanDerWaalsContact O-CB 3.28Å; R196-A200 WeakPolarHBondContact O-CB 3.42Å; R196-A200 PolarHBondContact O-N 3.44Å |
| 197 | E | 73.1 | Confident | 66.7 | Low | 126 Ų | 126 | 95 Ų | 95 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.4 | -40.6 | 176.6 | -83.5 | -175.9 | 156.5 | 0 | 0 | 111.5 | E193 A200 H201 | E193-E197 PolarHBondContact O-N 3.19Å; E197-A200 PolarHBondContact O-N 3.36Å; E197-H201 PolarHBondContact O-N 3.48Å; E197-H201 VanDerWaalsContact O-N 3.15Å; E197-H201 PolarHBondContact O-ND1 2.91Å |
| 198 | F | 75.9 | Confident | 65.4 | Low | 125 Ų | 125 | 102.9 Ų | 102.9 | 55% | 0.548 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 177.3 | 179.6 | -97.9 | 0 | 0 | 0 | 112.3 | Y194 R196 H201 A202 | Y194-F198 VanDerWaalsContact O-CB 3.23Å; Y194-F198 WeakPolarHBondContact O-CB 3.48Å; Y194-F198 PolarHBondContact O-N 3.13Å; R196-F198 VanDerWaalsContact C-N 3.29Å; R196-F198 PolarHBondContact O-N 2.89Å; F198-H201 PolarHBondContact O-N 2.88Å; F198-A202 VanDerWaalsContact O-CB 3.27Å; F198-A202 WeakPolarHBondContact O-CB 3.06Å; F198-A202 PolarHBondContact O-N 2.93Å |
| 199 | L | 72.3 | Confident | 64.7 | Low | 31 Ų | 31 | 99.9 Ų | 99.9 | 16% | 0.162 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -73.2 | -34.6 | 179.1 | -69.3 | 176.7 | 0 | 0 | 0 | 112.9 | I186 A195 R196 H201 A202 V217 | I186-L199 HydrophobicContact CD1-CD1 3.6Å; A195-L199 WeakPolarHBondContact O-CG 3.27Å; A195-L199 PolarHBondContact O-N 2.88Å; A195-L199 VanDerWaalsContact O-N 3.07Å; R196-L199 PolarHBondContact O-N 3.19Å; L199-H201 VanDerWaalsContact C-N 3.25Å; L199-H201 PolarHBondContact O-N 3.48Å; L199-A202 PolarHBondContact O-N 3.36Å; L199-V217 HydrophobicContact CD2-CG2 4.16Å |
| 200 | A | 73.2 | Confident | 63.7 | Low | 52 Ų | 52 | 102 Ų | 102 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -29.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R196 E197 | R196-A200 VanDerWaalsContact O-CB 3.28Å; R196-A200 WeakPolarHBondContact O-CB 3.42Å; R196-A200 PolarHBondContact O-N 3.44Å; E197-A200 PolarHBondContact O-N 3.36Å |
| 201 | H | 72.1 | Confident | 63.3 | Low | 153 Ų | 153 | 103.9 Ų | 103.9 | 71% | 0.708 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -100 | -6 | 176.9 | -63.5 | 85.4 | 0 | 0 | 0 | 113.2 | E197 F198 L199 | E197-H201 PolarHBondContact O-N 3.48Å; E197-H201 VanDerWaalsContact O-N 3.15Å; E197-H201 PolarHBondContact O-ND1 2.91Å; F198-H201 PolarHBondContact O-N 2.88Å; L199-H201 VanDerWaalsContact C-N 3.25Å; L199-H201 PolarHBondContact O-N 3.48Å |
| 202 | A | 66.8 | Low | 62.3 | Low | 27 Ų | 27 | 104.7 Ų | 104.7 | 22% | 0.223 | 56% | 0.555 | C | S | . | * | S | Bend | trans | -69.1 | 134.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | F198 L199 T204 | F198-A202 VanDerWaalsContact O-CB 3.27Å; F198-A202 WeakPolarHBondContact O-CB 3.06Å; F198-A202 PolarHBondContact O-N 2.93Å; L199-A202 PolarHBondContact O-N 3.36Å; A202-T204 PolarHBondContact O-N 2.89Å |
| 203 | P | 64.5 | Low | 61.7 | Low | 114 Ų | 114 | 112 Ų | 112 | 74% | 0.74 | 59% | 0.585 | S | S | * | * | trans | -54.9 | 108.5 | 173.3 | -25.1 | 33.8 | 0 | 0 | 0 | 110.5 | K205 | P203-K205 PolarHBondContact O-N 3.47Š| ||
| 204 | T | 56.4 | Low | 60.5 | Low | 123 Ų | 123 | 113.1 Ų | 113.1 | 76% | 0.755 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -65 | -23.1 | -175.4 | -33 | 0 | 0 | 0 | 0 | 112 | A202 | A202-T204 PolarHBondContact O-N 2.89Š|
| 205 | K | 51.3 | Low | 59.2 | Low | 199 Ų | 199 | 109.1 Ų | 109.1 | 87% | 0.865 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -101.4 | 84.9 | 177.2 | -64.7 | -178.4 | -178.4 | 178.5 | 0 | 109.5 | P203 | P203-K205 PolarHBondContact O-N 3.47Š|
| 206 | G | 49.7 | Very low | 58.2 | Low | 41 Ų | 41 | 117.2 Ų | 117.2 | 42% | 0.423 | 61% | 0.609 | S | S | . | * | trans | 43 | 109.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | W208 | G206-W208 VanDerWaalsContact C-N 3.31Å; G206-W208 VanDerWaalsContact O-CD1 3.27Å; G206-W208 PolarHBondContact O-N 3.14Å | ||
| 207 | L | 45 | Very low | 56.9 | Low | 140 Ų | 140 | 119 Ų | 119 | 73% | 0.733 | 63% | 0.626 | S | S | * | * | trans | -63.4 | 98.3 | 152.9 | -170.4 | 72.2 | 0 | 0 | 0 | 107.2 | L209 | L207-L209 HydrophobicContact CD2-CD1 3.63Å; L207-L209 HydrophobicContact CG-CD1 3.95Å; L207-L209 PolarHBondContact O-N 3.25Å | ||
| 208 | W | 43.6 | Very low | 55.5 | Low | 231 Ų | 231 | 118 Ų | 118 | 88% | 0.875 | 62% | 0.622 | S | S | * | * | trans | -66.6 | 84.7 | 173.3 | -76.4 | 72.8 | 0 | 0 | 0 | 108.5 | G206 | G206-W208 VanDerWaalsContact C-N 3.31Å; G206-W208 VanDerWaalsContact O-CD1 3.27Å; G206-W208 PolarHBondContact O-N 3.14Å | ||
| 209 | L | 54.1 | Low | 54.3 | Low | 77 Ų | 77 | 119.8 Ų | 119.8 | 40% | 0.403 | 63% | 0.633 | S | S | . | * | trans | -57.9 | 143.2 | 157.7 | -98.6 | 72.3 | 0 | 0 | 0 | 107.4 | L207 L211 G212 V215 | L207-L209 HydrophobicContact CD2-CD1 3.63Å; L207-L209 HydrophobicContact CG-CD1 3.95Å; L207-L209 PolarHBondContact O-N 3.25Å; L209-L211 PolarHBondContact O-N 3.08Å; L209-G212 PolarHBondContact O-N 2.68Å; L209-V215 HydrophobicContact CD1-CG2 4.39Å | ||
| 210 | P | 48.3 | Very low | 52.9 | Low | 134 Ų | 134 | 120.2 Ų | 120.2 | 87% | 0.87 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 15.9 | -177.6 | 26.7 | -34.8 | 0 | 0 | 0 | 114.9 | ||
| 211 | L | 49.3 | Very low | 52 | Low | 145 Ų | 145 | 122.4 Ų | 122.4 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 8.8 | 180 | -67 | 174.5 | 0 | 0 | 0 | 113.6 | L209 K213 | L209-L211 PolarHBondContact O-N 3.08Å; L211-K213 PolarHBondContact O-N 2.88Å |
| 212 | G | 47.7 | Very low | 51.6 | Low | 68 Ų | 68 | 115.1 Ų | 115.1 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | trans | 61.4 | 19.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L209 | L209-G212 PolarHBondContact O-N 2.68Š| ||
| 213 | K | 57.3 | Low | 51.3 | Low | 176 Ų | 176 | 124.9 Ų | 124.9 | 77% | 0.765 | 64% | 0.637 | S | S | * | * | trans | -113.3 | 117.1 | 176.2 | -70.8 | -178.6 | -178.2 | 176.4 | 0 | 109.1 | L211 V215 | L211-K213 PolarHBondContact O-N 2.88Å; K213-V215 PolarHBondContact O-N 2.63Å | ||
| 214 | E | 50.1 | Low | 50.9 | Low | 144 Ų | 144 | 125.3 Ų | 125.3 | 67% | 0.673 | 63% | 0.629 | S | S | * | * | trans | -57.1 | 125.3 | 174.9 | -175.3 | -179.6 | -148.3 | 0 | 0 | 110.2 | R216 | E214-R216 VanDerWaalsContact C-N 3.33Å; E214-R216 PolarHBondContact O-N 3.3Å; E214-R216 IonicContact OE2-NE 2.81Å | ||
| 215 | V | 43.6 | Very low | 51.2 | Low | 99 Ų | 99 | 120 Ų | 120 | 60% | 0.6 | 60% | 0.596 | S | S | * | * | trans | -77.7 | 90 | 171.9 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | L209 K213 V217 | L209-V215 HydrophobicContact CD1-CG2 4.39Å; K213-V215 PolarHBondContact O-N 2.63Å; V215-V217 PolarHBondContact O-N 2.89Å | ||
| 216 | R | 50.2 | Low | 51.6 | Low | 200 Ų | 200 | 118.2 Ų | 118.2 | 76% | 0.755 | 59% | 0.589 | S | S | * | * | trans | -64.8 | 117 | 164 | -66.5 | -172 | 177.3 | -151.8 | -2.6 | 107 | E214 M218 | E214-R216 VanDerWaalsContact C-N 3.33Å; E214-R216 PolarHBondContact O-N 3.3Å; E214-R216 IonicContact OE2-NE 2.81Å; R216-M218 PolarHBondContact O-N 2.99Å | ||
| 217 | V | 50.3 | Low | 52 | Low | 94 Ų | 94 | 122.1 Ų | 122.1 | 57% | 0.57 | 59% | 0.591 | S | S | * | * | trans | -50.9 | 117.3 | 168 | 178.6 | 0 | 0 | 0 | 0 | 105.6 | L199 V215 Q219 | L199-V217 HydrophobicContact CD2-CG2 4.16Å; V215-V217 PolarHBondContact O-N 2.89Å; V217-Q219 VanDerWaalsContact C-N 3.33Å; V217-Q219 PolarHBondContact O-N 3.29Å | ||
| 218 | M | 44.8 | Very low | 52.5 | Low | 104 Ų | 104 | 118.2 Ų | 118.2 | 51% | 0.512 | 57% | 0.567 | S | S | . | * | trans | -63.1 | 100.3 | -174.6 | -140.5 | 174.7 | 72 | 0 | 0 | 106.5 | R216 C220 R231 | R216-M218 PolarHBondContact O-N 2.99Å; M218-C220 HydrophobicContact CE-CB 4.13Å; M218-C220 WeakPolarHBondContact CE-SG 3.28Å; M218-C220 PolarHBondContact O-N 3.41Å; M218-R231 HydrophobicContact CE-CG 3.97Å; M218-R231 PolarHBondContact SD-NH2 2.88Å | ||
| 219 | Q | 50.4 | Low | 53.2 | Low | 164 Ų | 164 | 110.8 Ų | 110.8 | 77% | 0.766 | 56% | 0.561 | S | S | * | * | trans | -70.2 | 54.3 | 174.3 | -64.8 | 173.3 | 2.8 | 0 | 0 | 108.8 | V217 E221 | V217-Q219 VanDerWaalsContact C-N 3.33Å; V217-Q219 PolarHBondContact O-N 3.29Å; Q219-E221 VanDerWaalsContact C-N 3.28Å; Q219-E221 PolarHBondContact O-N 3.14Å; Q219-E221 VanDerWaalsContact O-N 3.13Å | ||
| 220 | C | 43.5 | Very low | 53.7 | Low | 40 Ų | 40 | 108.3 Ų | 108.3 | 27% | 0.27 | 55% | 0.548 | S | S | . | . | trans | -85.7 | 84.9 | 171.8 | -71.5 | 0 | 0 | 0 | 0 | 106.8 | M218 C222 | M218-C220 HydrophobicContact CE-CB 4.13Å; M218-C220 WeakPolarHBondContact CE-SG 3.28Å; M218-C220 PolarHBondContact O-N 3.41Å; C220-C222 PolarHBondContact O-N 3.11Å | ||
| 221 | E | 52.7 | Low | 54 | Low | 97 Ų | 97 | 107.9 Ų | 107.9 | 45% | 0.453 | 53% | 0.529 | S | S | . | . | trans | -58 | 116.2 | 151.4 | -68.3 | 177.6 | -159.8 | 0 | 0 | 107 | Q219 W223 Y228 | Q219-E221 VanDerWaalsContact C-N 3.28Å; Q219-E221 PolarHBondContact O-N 3.14Å; Q219-E221 VanDerWaalsContact O-N 3.13Å; E221-W223 PolarHBondContact O-N 3.34Å; E221-Y228 HydrophobicContact CB-CE1 4.45Å; E221-Y228 HydrophobicContact CG-CD1 3.88Å; E221-Y228 HydrophobicContact CG-CE1 3.19Å; E221-Y228 HydrophobicContact CG-CE2 4.31Å; E221-Y228 VanDerWaalsContact CG-CZ 3.44Å; E221-Y228 PolarHBondContact OE1-OH 2.89Å | ||
| 222 | C | 63.3 | Low | 54.2 | Low | 1 Ų | 1 | 104.3 Ų | 104.3 | 1% | 0.007 | 51% | 0.513 | C | S | . | . | trans | -66.1 | 109.9 | 168.2 | 172.5 | 0 | 0 | 0 | 0 | 107.6 | C220 H224 C225 K226 W227 | C220-C222 PolarHBondContact O-N 3.11Å; C222-H224 PolarHBondContact O-N 3.22Å; C222-C225 WeakPolarHBondContact CB-SG 3.28Å; C222-C225 PolarHBondContact O-N 3.09Å; C222-C225 PolarHBondContact SG-SG 3.5Å; C222-K226 WeakPolarHBondContact O-CA 3.44Å; C222-K226 PolarHBondContact O-N 2.88Å; C222-W227 PolarHBondContact N-O 2.91Å | ||
| 223 | W | 60.7 | Low | 54.6 | Low | 232 Ų | 232 | 103.2 Ų | 103.2 | 88% | 0.879 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -23.4 | -179.9 | -77.6 | 91.3 | 0 | 0 | 0 | 114.2 | E221 T232 | E221-W223 PolarHBondContact O-N 3.34Å; W223-T232 PolarHBondContact N-OG1 2.97Å |
| 224 | H | 55.9 | Low | 54.7 | Low | 122 Ų | 122 | 100.8 Ų | 100.8 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -36.9 | 178.4 | -111.1 | 59.4 | 0 | 0 | 0 | 114.1 | C222 T232 | C222-H224 PolarHBondContact O-N 3.22Å; H224-T232 HydrophobicContact CB-CG2 4.49Å |
| 225 | C | 64 | Low | 55.2 | Low | 12 Ų | 12 | 101.4 Ų | 101.4 | 8% | 0.081 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -14.4 | -172.6 | 68.9 | 0 | 0 | 0 | 0 | 114.2 | C222 W227 H230 F239 | C222-C225 WeakPolarHBondContact CB-SG 3.28Å; C222-C225 PolarHBondContact O-N 3.09Å; C222-C225 PolarHBondContact SG-SG 3.5Å; C225-W227 PolarHBondContact O-N 3.36Å; C225-H230 PolarHBondContact SG-CE1 3.15Å; C225-H230 PolarHBondContact SG-NE2 3.42Å; C225-F239 HydrophobicContact CB-CD2 3.18Å; C225-F239 HydrophobicContact CB-CE2 3.6Å; C225-F239 HydrophobicContact CB-CG 4.13Å |
| 226 | K | 60.1 | Low | 56.1 | Low | 162 Ų | 162 | 103.9 Ų | 103.9 | 70% | 0.704 | 49% | 0.494 | S | S | * | . | trans | 60.3 | 20.1 | -175.1 | -53.9 | -178.5 | 178.6 | -177.8 | 0 | 114.5 | C222 | C222-K226 WeakPolarHBondContact O-CA 3.44Å; C222-K226 PolarHBondContact O-N 2.88Å | ||
| 227 | W | 56.6 | Low | 56.9 | Low | 123 Ų | 123 | 94.5 Ų | 94.5 | 47% | 0.466 | 46% | 0.459 | S | S | . | . | trans | -98.2 | 142.8 | 173.1 | -73.4 | 46.9 | 0 | 0 | 0 | 109.9 | C222 C225 | C222-W227 PolarHBondContact N-O 2.91Å; C225-W227 PolarHBondContact O-N 3.36Å | ||
| 228 | Y | 55.4 | Low | 57.6 | Low | 58 Ų | 58 | 93.6 Ų | 93.6 | 23% | 0.227 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -82.5 | 152 | 174.5 | -60.3 | -88.2 | 0 | 0 | 0 | 110.5 | S185 E221 | S185-Y228 PolarHBondContact O-OH 3.33Å; E221-Y228 HydrophobicContact CB-CE1 4.45Å; E221-Y228 HydrophobicContact CG-CD1 3.88Å; E221-Y228 HydrophobicContact CG-CE1 3.19Å; E221-Y228 HydrophobicContact CG-CE2 4.31Å; E221-Y228 VanDerWaalsContact CG-CZ 3.44Å; E221-Y228 PolarHBondContact OE1-OH 2.89Å |
| 229 | G | 58.6 | Low | 58.2 | Low | 74 Ų | 74 | 93 Ų | 93 | 76% | 0.763 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 109.4 | -5.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 230 | H | 64.6 | Low | 58.8 | Low | 25 Ų | 25 | 86.9 Ų | 86.9 | 12% | 0.116 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -146.5 | 153.1 | 171.7 | 62.5 | -79.2 | 0 | 0 | 0 | 110.3 | C225 C237 | C225-H230 PolarHBondContact SG-CE1 3.15Å; C225-H230 PolarHBondContact SG-NE2 3.42Å; H230-C237 VanDerWaalsContact CD2-CB 3.46Å; H230-C237 WeakPolarHBondContact CD2-CB 3.38Å; H230-C237 WeakPolarHBondContact NE2-CA 3.5Å; H230-C237 WeakPolarHBondContact NE2-CB 3.46Å |
| 231 | R | 55.6 | Low | 59.8 | Low | 125 Ų | 125 | 90.2 Ų | 90.2 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | trans | -86.8 | 157.6 | 175.4 | -29.8 | -178.6 | 168.1 | -163.6 | -10.5 | 111.5 | M218 G233 Y234 | M218-R231 HydrophobicContact CE-CG 3.97Å; M218-R231 PolarHBondContact SD-NH2 2.88Å; R231-G233 PolarHBondContact O-N 3.49Å; R231-Y234 HydrophobicContact CB-CD2 3.49Å; R231-Y234 VanDerWaalsContact CB-CD2 3.49Å; R231-Y234 HydrophobicContact CB-CE2 3.36Å; R231-Y234 HydrophobicContact CG-CD2 4Å; R231-Y234 HydrophobicContact CG-CE2 3.51Å; R231-Y234 VanDerWaalsContact O-CD2 3.27Å; R231-Y234 WeakPolarHBondContact O-CD2 3.34Å; R231-Y234 PolarHBondContact O-N 3.15Å | ||
| 232 | T | 52.4 | Low | 60.5 | Low | 70 Ų | 70 | 93.7 Ų | 93.7 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 121.8 | 172.8 | -49.4 | 0 | 0 | 0 | 0 | 110.5 | W223 H224 | W223-T232 PolarHBondContact N-OG1 2.97Å; H224-T232 HydrophobicContact CB-CG2 4.49Å |
| 233 | G | 56.5 | Low | 60.4 | Low | 45 Ų | 45 | 99.1 Ų | 99.1 | 46% | 0.464 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | 0.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | R231 | R231-G233 PolarHBondContact O-N 3.49Š|
| 234 | Y | 60.3 | Low | 60.6 | Low | 125 Ų | 125 | 90.4 Ų | 90.4 | 49% | 0.49 | 45% | 0.448 | S | S | . | . | trans | -79.3 | 148.7 | 171.9 | -74.7 | -104 | 0 | 0 | 0 | 111 | R231 E236 C237 | R231-Y234 HydrophobicContact CB-CD2 3.49Å; R231-Y234 VanDerWaalsContact CB-CD2 3.49Å; R231-Y234 HydrophobicContact CB-CE2 3.36Å; R231-Y234 HydrophobicContact CG-CD2 4Å; R231-Y234 HydrophobicContact CG-CE2 3.51Å; R231-Y234 VanDerWaalsContact O-CD2 3.27Å; R231-Y234 WeakPolarHBondContact O-CD2 3.34Å; R231-Y234 PolarHBondContact O-N 3.15Å; Y234-E236 PolarHBondContact O-N 3.37Å; Y234-C237 PolarHBondContact O-N 3.49Å | ||
| 235 | K | 59.6 | Low | 61.6 | Low | 158 Ų | 158 | 90.7 Ų | 90.7 | 69% | 0.687 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -15 | -179.7 | -68.2 | 177.1 | -176 | -83.7 | 0 | 113.8 | I241 | K235-I241 WeakPolarHBondContact O-CD1 3.48Å; K235-I241 WeakPolarHBondContact O-CG1 3.01Å |
| 236 | E | 61.9 | Low | 62.1 | Low | 151 Ų | 151 | 97.8 Ų | 97.8 | 71% | 0.706 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -7.9 | -178.4 | -56.8 | -166.7 | 170.7 | 0 | 0 | 113.6 | Y234 P238 | Y234-E236 PolarHBondContact O-N 3.37Å; E236-P238 VanDerWaalsContact O-CD 3.28Å; E236-P238 WeakPolarHBondContact O-CD 3.38Å |
| 237 | C | 67.9 | Low | 62.6 | Low | 2 Ų | 2 | 94.8 Ų | 94.8 | 1% | 0.014 | 47% | 0.47 | C | S | . | . | trans | -70.8 | 119.6 | 175.9 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | H230 Y234 F239 F240 I241 | H230-C237 VanDerWaalsContact CD2-CB 3.46Å; H230-C237 WeakPolarHBondContact CD2-CB 3.38Å; H230-C237 WeakPolarHBondContact NE2-CA 3.5Å; H230-C237 WeakPolarHBondContact NE2-CB 3.46Å; Y234-C237 PolarHBondContact O-N 3.49Å; C237-F239 VanDerWaalsContact C-N 3.25Å; C237-F239 PolarHBondContact O-N 2.97Å; C237-F240 HydrophobicContact CB-CB 3.69Å; C237-F240 WeakPolarHBondContact O-CA 3.44Å; C237-F240 WeakPolarHBondContact O-CB 3.25Å; C237-F240 PolarHBondContact O-N 3.47Å; C237-I241 WeakPolarHBondContact O-CG1 3.45Å; C237-I241 PolarHBondContact O-N 2.9Å; C237-I241 VanDerWaalsContact O-N 3.09Å | ||
| 238 | P | 64.8 | Low | 63.4 | Low | 76 Ų | 76 | 90.7 Ų | 90.7 | 49% | 0.494 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.6 | -35.7 | -178.8 | -25 | 34.7 | 0 | 0 | 0 | 113.4 | E236 I241 K242 | E236-P238 VanDerWaalsContact O-CD 3.28Å; E236-P238 WeakPolarHBondContact O-CD 3.38Å; P238-I241 PolarHBondContact O-N 3.07Å; P238-K242 PolarHBondContact O-N 3.07Å; P238-K242 VanDerWaalsContact O-N 3.12Å |
| 239 | F | 58.3 | Low | 64.3 | Low | 92 Ų | 92 | 92.5 Ų | 92.5 | 40% | 0.404 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.1 | -29.2 | 176.4 | -76.3 | -92.5 | 0 | 0 | 0 | 112.6 | C225 C237 D243 | C225-F239 HydrophobicContact CB-CD2 3.18Å; C225-F239 HydrophobicContact CB-CE2 3.6Å; C225-F239 HydrophobicContact CB-CG 4.13Å; C237-F239 VanDerWaalsContact C-N 3.25Å; C237-F239 PolarHBondContact O-N 2.97Å; F239-D243 WeakPolarHBondContact O-CB 3.27Å; F239-D243 PolarHBondContact O-N 3.36Å |
| 240 | F | 61.5 | Low | 65 | Low | 35 Ų | 35 | 96.1 Ų | 96.1 | 15% | 0.154 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -71.9 | -34.5 | 173.7 | -172 | -109.3 | 0 | 0 | 0 | 112.3 | C237 N244 Q248 | C237-F240 HydrophobicContact CB-CB 3.69Å; C237-F240 WeakPolarHBondContact O-CA 3.44Å; C237-F240 WeakPolarHBondContact O-CB 3.25Å; C237-F240 PolarHBondContact O-N 3.47Å; F240-N244 HydrophobicContact CD2-CB 4.14Å; F240-N244 HydrophobicContact CE2-CB 4.47Å; F240-Q248 HydrophobicContact CE1-CG 4.14Å; F240-Q248 HydrophobicContact CZ-CG 4.15Å |
| 241 | I | 65.7 | Low | 65.6 | Low | 109 Ų | 109 | 100.3 Ų | 100.3 | 56% | 0.559 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.1 | -38.9 | 176.7 | -62.2 | 166.2 | 0 | 0 | 0 | 110.9 | K235 C237 P238 | K235-I241 WeakPolarHBondContact O-CD1 3.48Å; K235-I241 WeakPolarHBondContact O-CG1 3.01Å; C237-I241 WeakPolarHBondContact O-CG1 3.45Å; C237-I241 PolarHBondContact O-N 2.9Å; C237-I241 VanDerWaalsContact O-N 3.09Å; P238-I241 PolarHBondContact O-N 3.07Å |
| 242 | K | 66.1 | Low | 66.8 | Low | 171 Ų | 171 | 96.9 Ų | 96.9 | 74% | 0.743 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -86.4 | -41.3 | -174.4 | -159 | 174.8 | -178.9 | -176.6 | 0 | 113.9 | P238 | P238-K242 PolarHBondContact O-N 3.07Å; P238-K242 VanDerWaalsContact O-N 3.12Å |
| 243 | D | 62.6 | Low | 68.1 | Low | 115 Ų | 115 | 95.5 Ų | 95.5 | 62% | 0.615 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -104.6 | -11 | -167.5 | -62.4 | -37.6 | 0 | 0 | 0 | 114.8 | F239 | F239-D243 WeakPolarHBondContact O-CB 3.27Å; F239-D243 PolarHBondContact O-N 3.36Å |
| 244 | N | 65.3 | Low | 69.2 | Low | 49 Ų | 49 | 101.3 Ų | 101.3 | 26% | 0.262 | 48% | 0.48 | S | S | . | . | trans | -117.9 | 23.3 | -174 | -113.7 | -47.8 | 0 | 0 | 0 | 114.7 | F240 K246 L247 Q248 | F240-N244 HydrophobicContact CD2-CB 4.14Å; F240-N244 HydrophobicContact CE2-CB 4.47Å; N244-K246 VanDerWaalsContact C-N 3.33Å; N244-K246 PolarHBondContact O-N 3.42Å; N244-L247 PolarHBondContact O-N 2.86Å; N244-L247 WeakPolarHBondContact OD1-CB 3.35Å; N244-L247 VanDerWaalsContact OD1-CD2 3.28Å; N244-L247 WeakPolarHBondContact OD1-CD2 3.44Å; N244-Q248 WeakPolarHBondContact O-CB 3.32Å; N244-Q248 PolarHBondContact O-N 2.8Å | ||
| 245 | Q | 75.4 | Confident | 69.9 | Low | 127 Ų | 127 | 101 Ų | 101 | 59% | 0.593 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.8 | -39.1 | -176.5 | -163.6 | 178.6 | 34.2 | 0 | 0 | 112.7 | Q248 Q249 | Q245-Q248 PolarHBondContact O-N 3.28Å; Q245-Q249 WeakPolarHBondContact O-CB 3.17Å; Q245-Q249 VanDerWaalsContact O-CG 3.25Å; Q245-Q249 WeakPolarHBondContact O-CG 3.38Å; Q245-Q249 PolarHBondContact O-N 2.73Å |
| 246 | K | 74.8 | Confident | 71 | Confident | 161 Ų | 161 | 96.5 Ų | 96.5 | 70% | 0.7 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.9 | -47 | 177.8 | -69.4 | -177.5 | -179.7 | 176.9 | 0 | 111.6 | N244 Q248 Q249 F250 | N244-K246 VanDerWaalsContact C-N 3.33Å; N244-K246 PolarHBondContact O-N 3.42Å; K246-Q248 VanDerWaalsContact C-N 3.3Å; K246-Q248 PolarHBondContact O-N 3.33Å; K246-Q249 WeakPolarHBondContact O-CB 3.23Å; K246-Q249 PolarHBondContact O-N 2.85Å; K246-Q249 VanDerWaalsContact O-N 3.15Å; K246-F250 HydrophobicContact CB-CE2 4.48Å; K246-F250 WeakPolarHBondContact O-CD2 3.18Å; K246-F250 PolarHBondContact O-N 2.99Å |
| 247 | L | 70.7 | Confident | 71.8 | Confident | 100 Ų | 100 | 98.2 Ų | 98.2 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 178.2 | -166.2 | 68.9 | 0 | 0 | 0 | 111.5 | N244 F250 R251 | N244-L247 PolarHBondContact O-N 2.86Å; N244-L247 WeakPolarHBondContact OD1-CB 3.35Å; N244-L247 VanDerWaalsContact OD1-CD2 3.28Å; N244-L247 WeakPolarHBondContact OD1-CD2 3.44Å; L247-F250 PolarHBondContact O-N 3.42Å; L247-R251 WeakPolarHBondContact O-CG 3.31Å; L247-R251 PolarHBondContact O-N 3.49Å |
| 248 | Q | 73.8 | Confident | 72.7 | Confident | 37 Ų | 37 | 102.7 Ų | 102.7 | 17% | 0.173 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 171.3 | -88.3 | -68.4 | -17.9 | 0 | 0 | 112.4 | F240 N244 Q245 K246 F250 R251 V252 | F240-Q248 HydrophobicContact CE1-CG 4.14Å; F240-Q248 HydrophobicContact CZ-CG 4.15Å; N244-Q248 WeakPolarHBondContact O-CB 3.32Å; N244-Q248 PolarHBondContact O-N 2.8Å; Q245-Q248 PolarHBondContact O-N 3.28Å; K246-Q248 VanDerWaalsContact C-N 3.3Å; K246-Q248 PolarHBondContact O-N 3.33Å; Q248-F250 VanDerWaalsContact C-N 3.33Å; Q248-F250 PolarHBondContact O-N 3.29Å; Q248-R251 PolarHBondContact O-N 3.11Å; Q248-V252 WeakPolarHBondContact O-CB 3.48Å; Q248-V252 VanDerWaalsContact O-CG2 3.23Å; Q248-V252 WeakPolarHBondContact O-CG2 3.42Å; Q248-V252 PolarHBondContact O-N 3.44Å |
| 249 | Q | 74.1 | Confident | 73.7 | Confident | 96 Ų | 96 | 102.2 Ų | 102.2 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 174.4 | -75.7 | 170.2 | 8.3 | 0 | 0 | 111.9 | Q245 K246 A253 | Q245-Q249 WeakPolarHBondContact O-CB 3.17Å; Q245-Q249 VanDerWaalsContact O-CG 3.25Å; Q245-Q249 WeakPolarHBondContact O-CG 3.38Å; Q245-Q249 PolarHBondContact O-N 2.73Å; K246-Q249 WeakPolarHBondContact O-CB 3.23Å; K246-Q249 PolarHBondContact O-N 2.85Å; K246-Q249 VanDerWaalsContact O-N 3.15Å; Q249-A253 WeakPolarHBondContact O-CB 3.47Å; Q249-A253 PolarHBondContact O-N 2.98Å |
| 250 | F | 74.1 | Confident | 74.9 | Confident | 149 Ų | 149 | 101.7 Ų | 101.7 | 65% | 0.654 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63 | -45.1 | 173.8 | -77.7 | -67.8 | 0 | 0 | 0 | 112 | K246 L247 Q248 A253 H254 | K246-F250 HydrophobicContact CB-CE2 4.48Å; K246-F250 WeakPolarHBondContact O-CD2 3.18Å; K246-F250 PolarHBondContact O-N 2.99Å; L247-F250 PolarHBondContact O-N 3.42Å; Q248-F250 VanDerWaalsContact C-N 3.33Å; Q248-F250 PolarHBondContact O-N 3.29Å; F250-A253 PolarHBondContact O-N 3.36Å; F250-H254 WeakPolarHBondContact O-CB 3.45Å; F250-H254 PolarHBondContact O-N 2.89Å |
| 251 | R | 76.8 | Confident | 76.2 | Confident | 113 Ų | 113 | 104.2 Ų | 104.2 | 43% | 0.426 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -49.6 | 176.3 | -73.9 | -174.4 | 64.7 | -162.2 | -7.6 | 111.6 | L247 Q248 A253 H254 E255 | L247-R251 WeakPolarHBondContact O-CG 3.31Å; L247-R251 PolarHBondContact O-N 3.49Å; Q248-R251 PolarHBondContact O-N 3.11Å; R251-A253 VanDerWaalsContact C-N 3.34Å; R251-A253 PolarHBondContact O-N 2.58Å; R251-H254 PolarHBondContact O-N 3.18Å; R251-E255 IonicContact CZ-OE1 2.67Å; R251-E255 IonicContact NE-OE1 2.84Å; R251-E255 PolarHBondContact NE-OE1 3.36Å; R251-E255 IonicContact NH2-OE1 3.11Å; R251-E255 PolarHBondContact NH2-OE1 2.99Å; R251-E255 IonicContact NH2-OE2 3.37Å; R251-E255 PolarHBondContact NH2-OE2 2.9Å; R251-E255 WeakPolarHBondContact O-CA 3.4Å; R251-E255 WeakPolarHBondContact O-CB 3.28Å; R251-E255 VanDerWaalsContact O-CG 3.22Å; R251-E255 WeakPolarHBondContact O-CG 3.25Å; R251-E255 PolarHBondContact O-N 2.76Å |
| 252 | V | 81.1 | Confident | 77.3 | Confident | 53 Ų | 53 | 103.6 Ų | 103.6 | 32% | 0.321 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 178.4 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | Q248 H254 D256 Y259 | Q248-V252 WeakPolarHBondContact O-CB 3.48Å; Q248-V252 VanDerWaalsContact O-CG2 3.23Å; Q248-V252 WeakPolarHBondContact O-CG2 3.42Å; Q248-V252 PolarHBondContact O-N 3.44Å; V252-H254 VanDerWaalsContact C-N 3.29Å; V252-H254 PolarHBondContact O-N 3.47Å; V252-D256 WeakPolarHBondContact O-CB 3.3Å; V252-D256 PolarHBondContact O-N 2.96Å; V252-Y259 HydrophobicContact CG1-CD2 3.54Å; V252-Y259 HydrophobicContact CG1-CE2 3.65Å; V252-Y259 HydrophobicContact CG1-CG 4.47Å |
| 253 | A | 78.8 | Confident | 78.4 | Confident | 41 Ų | 41 | 100.7 Ų | 100.7 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.6 | -28.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q249 F250 R251 Y259 | Q249-A253 WeakPolarHBondContact O-CB 3.47Å; Q249-A253 PolarHBondContact O-N 2.98Å; F250-A253 PolarHBondContact O-N 3.36Å; R251-A253 VanDerWaalsContact C-N 3.34Å; R251-A253 PolarHBondContact O-N 2.58Å; A253-Y259 HydrophobicContact CB-CD1 3.57Å; A253-Y259 HydrophobicContact CB-CE1 3.67Å; A253-Y259 HydrophobicContact CB-CG 4.24Å |
| 254 | H | 79.2 | Confident | 79.7 | Confident | 168 Ų | 168 | 98.9 Ų | 98.9 | 78% | 0.778 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -100.1 | -22.8 | -174.9 | -153.4 | -65.1 | 0 | 0 | 0 | 113.4 | F250 R251 V252 | F250-H254 WeakPolarHBondContact O-CB 3.45Å; F250-H254 PolarHBondContact O-N 2.89Å; R251-H254 PolarHBondContact O-N 3.18Å; V252-H254 VanDerWaalsContact C-N 3.29Å; V252-H254 PolarHBondContact O-N 3.47Å |
| 255 | E | 75.7 | Confident | 81.1 | Confident | 119 Ų | 119 | 101.5 Ų | 101.5 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -92.1 | -32.5 | 175.9 | -64.9 | 173.2 | -167.7 | 0 | 0 | 111.5 | R251 | R251-E255 IonicContact CZ-OE1 2.67Å; R251-E255 IonicContact NE-OE1 2.84Å; R251-E255 PolarHBondContact NE-OE1 3.36Å; R251-E255 IonicContact NH2-OE1 3.11Å; R251-E255 PolarHBondContact NH2-OE1 2.99Å; R251-E255 IonicContact NH2-OE2 3.37Å; R251-E255 PolarHBondContact NH2-OE2 2.9Å; R251-E255 WeakPolarHBondContact O-CA 3.4Å; R251-E255 WeakPolarHBondContact O-CB 3.28Å; R251-E255 VanDerWaalsContact O-CG 3.22Å; R251-E255 WeakPolarHBondContact O-CG 3.25Å; R251-E255 PolarHBondContact O-N 2.76Å |
| 256 | D | 83.3 | Confident | 82 | Confident | 62 Ų | 62 | 101.7 Ų | 101.7 | 33% | 0.332 | 48% | 0.483 | S | S | . | . | trans | -95.6 | 101 | 177.1 | -175.3 | 2.5 | 0 | 0 | 0 | 110.9 | V252 M258 Y259 | V252-D256 WeakPolarHBondContact O-CB 3.3Å; V252-D256 PolarHBondContact O-N 2.96Å; D256-M258 PolarHBondContact O-N 3.23Å; D256-M258 VanDerWaalsContact O-N 3.11Å; D256-M258 WeakPolarHBondContact OD1-CA 3.08Å; D256-M258 WeakPolarHBondContact OD1-CB 3.27Å; D256-M258 PolarHBondContact OD1-N 3.3Å; D256-Y259 WeakPolarHBondContact O-CB 3.35Å; D256-Y259 PolarHBondContact O-N 3.2Å | ||
| 257 | F | 77.4 | Confident | 82.9 | Confident | 187 Ų | 187 | 99.2 Ų | 99.2 | 82% | 0.82 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.6 | 174.2 | -69.2 | -74.1 | 0 | 0 | 0 | 113.8 | ||
| 258 | M | 86.8 | Confident | 83.9 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 47% | 0.473 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -3 | 178.2 | -61.3 | -68.8 | 88.5 | 0 | 0 | 112.9 | D256 D260 I261 I262 | D256-M258 PolarHBondContact O-N 3.23Å; D256-M258 VanDerWaalsContact O-N 3.11Å; D256-M258 WeakPolarHBondContact OD1-CA 3.08Å; D256-M258 WeakPolarHBondContact OD1-CB 3.27Å; D256-M258 PolarHBondContact OD1-N 3.3Å; M258-D260 PolarHBondContact O-N 3.24Å; M258-I261 HydrophobicContact CE-CD1 3.61Å; M258-I261 PolarHBondContact O-N 2.84Å; M258-I261 VanDerWaalsContact O-N 3.14Å; M258-I261 HydrophobicContact SD-CD1 3.94Å; M258-I262 HydrophobicContact CB-CD1 3.85Å; M258-I262 HydrophobicContact CB-CG1 4.37Å; M258-I262 WeakPolarHBondContact O-CD1 3.49Å; M258-I262 VanDerWaalsContact O-CG1 3.27Å; M258-I262 WeakPolarHBondContact O-CG1 3.13Å; M258-I262 PolarHBondContact O-N 3.46Å |
| 259 | Y | 85.5 | Confident | 84.9 | Confident | 66 Ų | 66 | 105.1 Ų | 105.1 | 26% | 0.259 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.8 | -45.4 | -174.7 | -175.1 | -103.6 | 0 | 0 | 0 | 112.9 | V252 A253 D256 I261 I262 R263 | V252-Y259 HydrophobicContact CG1-CD2 3.54Å; V252-Y259 HydrophobicContact CG1-CE2 3.65Å; V252-Y259 HydrophobicContact CG1-CG 4.47Å; A253-Y259 HydrophobicContact CB-CD1 3.57Å; A253-Y259 HydrophobicContact CB-CE1 3.67Å; A253-Y259 HydrophobicContact CB-CG 4.24Å; D256-Y259 WeakPolarHBondContact O-CB 3.35Å; D256-Y259 PolarHBondContact O-N 3.2Å; Y259-I261 PolarHBondContact O-N 3.48Å; Y259-I262 PolarHBondContact O-N 3.25Å; Y259-R263 VanDerWaalsContact O-CB 3.29Å; Y259-R263 WeakPolarHBondContact O-CB 3.16Å; Y259-R263 PolarHBondContact O-N 3Å |
| 260 | D | 85.2 | Confident | 86 | Confident | 82 Ų | 82 | 106.5 Ų | 106.5 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 178.3 | -74.2 | -37.3 | 0 | 0 | 0 | 111.4 | M258 I262 R263 D264 | M258-D260 PolarHBondContact O-N 3.24Å; D260-I262 PolarHBondContact O-N 3.24Å; D260-R263 PolarHBondContact O-N 2.89Å; D260-R263 IonicContact OD1-CZ 3.14Å; D260-R263 IonicContact OD1-NH1 2.73Å; D260-R263 PolarHBondContact OD1-NH1 2.95Å; D260-R263 IonicContact OD1-NH2 2.91Å; D260-R263 PolarHBondContact OD1-NH2 2.75Å; D260-D264 VanDerWaalsContact O-CB 3.31Å; D260-D264 WeakPolarHBondContact O-CB 3.19Å; D260-D264 PolarHBondContact O-N 3.35Å |
| 261 | I | 88.1 | Confident | 86.9 | Confident | 88 Ų | 88 | 103 Ų | 103 | 45% | 0.451 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 178.8 | -58.1 | 179.8 | 0 | 0 | 0 | 110.9 | M258 Y259 D264 N265 | M258-I261 HydrophobicContact CE-CD1 3.61Å; M258-I261 PolarHBondContact O-N 2.84Å; M258-I261 VanDerWaalsContact O-N 3.14Å; M258-I261 HydrophobicContact SD-CD1 3.94Å; Y259-I261 PolarHBondContact O-N 3.48Å; I261-D264 PolarHBondContact O-N 3.2Å; I261-N265 VanDerWaalsContact O-CB 3.31Å; I261-N265 WeakPolarHBondContact O-CB 3.22Å; I261-N265 PolarHBondContact O-N 2.67Å; I261-N265 PolarHBondContact O-ND2 2.9Å |
| 262 | I | 87.9 | Confident | 87.8 | Confident | 96 Ų | 96 | 100 Ų | 100 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 179.5 | -66 | 161.2 | 0 | 0 | 0 | 110.7 | M258 Y259 D260 K266 | M258-I262 HydrophobicContact CB-CD1 3.85Å; M258-I262 HydrophobicContact CB-CG1 4.37Å; M258-I262 WeakPolarHBondContact O-CD1 3.49Å; M258-I262 VanDerWaalsContact O-CG1 3.27Å; M258-I262 WeakPolarHBondContact O-CG1 3.13Å; M258-I262 PolarHBondContact O-N 3.46Å; Y259-I262 PolarHBondContact O-N 3.25Å; D260-I262 PolarHBondContact O-N 3.24Å; I262-K266 WeakPolarHBondContact O-CB 3.4Å; I262-K266 PolarHBondContact O-N 2.81Å |
| 263 | R | 90.2 | Very high | 88.5 | Confident | 109 Ų | 109 | 105.9 Ų | 105.9 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 175.7 | -176.4 | -168 | 65.7 | -137.8 | -12 | 110.9 | Y259 D260 N265 K266 Q267 | Y259-R263 VanDerWaalsContact O-CB 3.29Å; Y259-R263 WeakPolarHBondContact O-CB 3.16Å; Y259-R263 PolarHBondContact O-N 3Å; D260-R263 PolarHBondContact O-N 2.89Å; D260-R263 IonicContact OD1-CZ 3.14Å; D260-R263 IonicContact OD1-NH1 2.73Å; D260-R263 PolarHBondContact OD1-NH1 2.95Å; D260-R263 IonicContact OD1-NH2 2.91Å; D260-R263 PolarHBondContact OD1-NH2 2.75Å; R263-N265 PolarHBondContact O-N 3.19Å; R263-K266 WeakPolarHBondContact O-CB 3.41Å; R263-K266 PolarHBondContact O-N 3.41Å; R263-Q267 PolarHBondContact O-N 3.14Å |
| 264 | D | 90.4 | Very high | 89.3 | Confident | 78 Ų | 78 | 107.8 Ų | 107.8 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | -177.1 | -66 | -1.1 | 0 | 0 | 0 | 110.8 | D260 I261 K266 Q267 H268 | D260-D264 VanDerWaalsContact O-CB 3.31Å; D260-D264 WeakPolarHBondContact O-CB 3.19Å; D260-D264 PolarHBondContact O-N 3.35Å; I261-D264 PolarHBondContact O-N 3.2Å; D264-K266 PolarHBondContact O-N 3.17Å; D264-Q267 PolarHBondContact O-N 3.38Å; D264-H268 WeakPolarHBondContact O-CB 3.37Å; D264-H268 PolarHBondContact O-N 3.13Å |
| 265 | N | 93.3 | Very high | 90 | Very high | 103 Ų | 103 | 106.1 Ų | 106.1 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 172.1 | -78.2 | -23.9 | 0 | 0 | 0 | 112.4 | I261 R263 Q267 H268 E269 | I261-N265 VanDerWaalsContact O-CB 3.31Å; I261-N265 WeakPolarHBondContact O-CB 3.22Å; I261-N265 PolarHBondContact O-N 2.67Å; I261-N265 PolarHBondContact O-ND2 2.9Å; R263-N265 PolarHBondContact O-N 3.19Å; N265-Q267 VanDerWaalsContact C-N 3.32Å; N265-Q267 PolarHBondContact O-N 2.8Å; N265-H268 PolarHBondContact O-N 3.44Å; N265-E269 PolarHBondContact O-N 3.39Å |
| 266 | K | 94.4 | Very high | 90.9 | Very high | 131 Ų | 131 | 106.1 Ų | 106.1 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66 | -36.3 | 177.4 | -168.1 | 173.9 | -173.3 | 176.2 | 0 | 111.7 | I262 R263 D264 K270 | I262-K266 WeakPolarHBondContact O-CB 3.4Å; I262-K266 PolarHBondContact O-N 2.81Å; R263-K266 WeakPolarHBondContact O-CB 3.41Å; R263-K266 PolarHBondContact O-N 3.41Å; D264-K266 PolarHBondContact O-N 3.17Å; K266-K270 WeakPolarHBondContact O-CG 3.45Å; K266-K270 PolarHBondContact O-N 2.94Å |
| 267 | Q | 93.5 | Very high | 91.5 | Very high | 109 Ų | 109 | 107.6 Ų | 107.6 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.5 | -40.5 | 174.8 | -170.9 | 167.9 | -2.2 | 0 | 0 | 111.5 | R263 D264 N265 E269 K270 N271 | R263-Q267 PolarHBondContact O-N 3.14Å; D264-Q267 PolarHBondContact O-N 3.38Å; N265-Q267 VanDerWaalsContact C-N 3.32Å; N265-Q267 PolarHBondContact O-N 2.8Å; Q267-E269 PolarHBondContact O-N 3.02Å; Q267-K270 WeakPolarHBondContact O-CB 3.29Å; Q267-K270 PolarHBondContact O-N 3.38Å; Q267-N271 PolarHBondContact O-N 2.93Å; Q267-N271 PolarHBondContact O-ND2 3.18Å |
| 268 | H | 92.8 | Very high | 92.2 | Very high | 120 Ų | 120 | 104.3 Ų | 104.3 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.9 | -44.2 | 174.5 | -177.9 | -87.3 | 0 | 0 | 0 | 111.8 | D264 N265 K270 N271 V272 | D264-H268 WeakPolarHBondContact O-CB 3.37Å; D264-H268 PolarHBondContact O-N 3.13Å; N265-H268 PolarHBondContact O-N 3.44Å; H268-K270 VanDerWaalsContact C-N 3.33Å; H268-K270 PolarHBondContact O-N 2.81Å; H268-N271 PolarHBondContact O-N 3.45Å; H268-N271 VanDerWaalsContact O-N 3.16Å; H268-V272 VanDerWaalsContact CE1-CG2 3.5Å; H268-V272 WeakPolarHBondContact CE1-CG2 3.3Å; H268-V272 WeakPolarHBondContact O-CG2 3.44Å; H268-V272 PolarHBondContact O-N 3.38Å |
| 269 | E | 94.8 | Very high | 92.4 | Very high | 142 Ų | 142 | 104.4 Ų | 104.4 | 66% | 0.664 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.1 | -43.5 | 175.4 | -170.7 | -175.5 | 175.7 | 0 | 0 | 112 | N265 Q267 V272 R273 | N265-E269 PolarHBondContact O-N 3.39Å; Q267-E269 PolarHBondContact O-N 3.02Å; E269-V272 PolarHBondContact O-N 2.77Å; E269-R273 WeakPolarHBondContact O-CB 3.5Å; E269-R273 PolarHBondContact O-N 3.33Å |
| 270 | K | 96.3 | Very high | 92.6 | Very high | 125 Ų | 125 | 106.5 Ų | 106.5 | 54% | 0.543 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 173.6 | -70.1 | 173.3 | -178.3 | -175.7 | 0 | 111.5 | K266 Q267 H268 V272 R273 I274 | K266-K270 WeakPolarHBondContact O-CG 3.45Å; K266-K270 PolarHBondContact O-N 2.94Å; Q267-K270 WeakPolarHBondContact O-CB 3.29Å; Q267-K270 PolarHBondContact O-N 3.38Å; H268-K270 VanDerWaalsContact C-N 3.33Å; H268-K270 PolarHBondContact O-N 2.81Å; K270-V272 PolarHBondContact O-N 3.44Å; K270-R273 WeakPolarHBondContact O-CB 3.4Å; K270-R273 PolarHBondContact O-N 3.35Å; K270-I274 VanDerWaalsContact O-CG1 3.26Å; K270-I274 WeakPolarHBondContact O-CG1 3.46Å; K270-I274 PolarHBondContact O-N 2.91Å |
| 271 | N | 93.8 | Very high | 92.7 | Very high | 76 Ų | 76 | 108.1 Ų | 108.1 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | -179.8 | -70 | -20.8 | 0 | 0 | 0 | 111.9 | Q267 H268 R273 I274 Q275 | Q267-N271 PolarHBondContact O-N 2.93Å; Q267-N271 PolarHBondContact O-ND2 3.18Å; H268-N271 PolarHBondContact O-N 3.45Å; H268-N271 VanDerWaalsContact O-N 3.16Å; N271-R273 VanDerWaalsContact C-N 3.34Å; N271-R273 PolarHBondContact O-N 3.16Å; N271-I274 PolarHBondContact O-N 3.13Å; N271-Q275 WeakPolarHBondContact O-CG 3.3Å; N271-Q275 PolarHBondContact O-N 2.75Å |
| 272 | V | 95.8 | Very high | 92.5 | Very high | 49 Ų | 49 | 109 Ų | 109 | 30% | 0.297 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 174.2 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | H268 E269 K270 I274 Q275 Q276 | H268-V272 VanDerWaalsContact CE1-CG2 3.5Å; H268-V272 WeakPolarHBondContact CE1-CG2 3.3Å; H268-V272 WeakPolarHBondContact O-CG2 3.44Å; H268-V272 PolarHBondContact O-N 3.38Å; E269-V272 PolarHBondContact O-N 2.77Å; K270-V272 PolarHBondContact O-N 3.44Å; V272-I274 VanDerWaalsContact C-N 3.35Å; V272-I274 PolarHBondContact O-N 2.78Å; V272-Q275 PolarHBondContact O-N 3.2Å; V272-Q276 VanDerWaalsContact O-CG 3.32Å; V272-Q276 WeakPolarHBondContact O-CG 3.41Å; V272-Q276 PolarHBondContact O-N 3.27Å |
| 273 | R | 95.1 | Very high | 91.9 | Very high | 176 Ų | 176 | 109.2 Ų | 109.2 | 66% | 0.664 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -40.6 | 176.4 | -173.6 | 173.2 | -179.1 | 174 | -2.3 | 112 | E269 K270 N271 Q276 L277 | E269-R273 WeakPolarHBondContact O-CB 3.5Å; E269-R273 PolarHBondContact O-N 3.33Å; K270-R273 WeakPolarHBondContact O-CB 3.4Å; K270-R273 PolarHBondContact O-N 3.35Å; N271-R273 VanDerWaalsContact C-N 3.34Å; N271-R273 PolarHBondContact O-N 3.16Å; R273-Q276 PolarHBondContact O-N 3.06Å; R273-L277 HydrophobicContact CG-CD1 4.12Å; R273-L277 WeakPolarHBondContact O-CD1 3.49Å; R273-L277 WeakPolarHBondContact O-CG 3.35Å; R273-L277 PolarHBondContact O-N 2.98Å |
| 274 | I | 95.3 | Very high | 90.9 | Very high | 82 Ų | 82 | 109 Ų | 109 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 175.3 | -69.2 | 163.4 | 0 | 0 | 0 | 110.3 | K270 N271 V272 Q276 L277 K278 | K270-I274 VanDerWaalsContact O-CG1 3.26Å; K270-I274 WeakPolarHBondContact O-CG1 3.46Å; K270-I274 PolarHBondContact O-N 2.91Å; N271-I274 PolarHBondContact O-N 3.13Å; V272-I274 VanDerWaalsContact C-N 3.35Å; V272-I274 PolarHBondContact O-N 2.78Å; I274-Q276 PolarHBondContact O-N 2.99Å; I274-L277 PolarHBondContact O-N 2.91Å; I274-K278 HydrophobicContact CG2-CD 4.27Å; I274-K278 HydrophobicContact CG2-CG 4.46Å; I274-K278 WeakPolarHBondContact O-CG 3.39Å; I274-K278 PolarHBondContact O-N 3.49Å |
| 275 | Q | 94.7 | Very high | 89.3 | Confident | 133 Ų | 133 | 110.5 Ų | 110.5 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62 | -41.6 | 176.3 | -75.2 | 177 | -6.7 | 0 | 0 | 112.3 | N271 V272 L277 K278 Q279 | N271-Q275 WeakPolarHBondContact O-CG 3.3Å; N271-Q275 PolarHBondContact O-N 2.75Å; V272-Q275 PolarHBondContact O-N 3.2Å; Q275-L277 VanDerWaalsContact C-N 3.33Å; Q275-L277 PolarHBondContact O-N 2.8Å; Q275-K278 PolarHBondContact O-N 2.98Å; Q275-Q279 PolarHBondContact O-N 3.19Å |
| 276 | Q | 94.3 | Very high | 87.2 | Confident | 119 Ų | 119 | 110.3 Ų | 110.3 | 56% | 0.556 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62 | -41.1 | 174.8 | -71.3 | 170.9 | 0.4 | 0 | 0 | 112.1 | V272 R273 I274 Q279 L280 | V272-Q276 VanDerWaalsContact O-CG 3.32Å; V272-Q276 WeakPolarHBondContact O-CG 3.41Å; V272-Q276 PolarHBondContact O-N 3.27Å; R273-Q276 PolarHBondContact O-N 3.06Å; I274-Q276 PolarHBondContact O-N 2.99Å; Q276-Q279 PolarHBondContact O-N 3.27Å; Q276-L280 WeakPolarHBondContact O-CG 3.47Å; Q276-L280 PolarHBondContact O-N 2.96Å; Q276-L280 VanDerWaalsContact O-N 3.12Å |
| 277 | L | 95.3 | Very high | 85 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 48% | 0.482 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.3 | -42.3 | 176 | -77.1 | 157 | 0 | 0 | 0 | 111.6 | R273 I274 Q275 L280 L281 | R273-L277 HydrophobicContact CG-CD1 4.12Å; R273-L277 WeakPolarHBondContact O-CD1 3.49Å; R273-L277 WeakPolarHBondContact O-CG 3.35Å; R273-L277 PolarHBondContact O-N 2.98Å; I274-L277 PolarHBondContact O-N 2.91Å; Q275-L277 VanDerWaalsContact C-N 3.33Å; Q275-L277 PolarHBondContact O-N 2.8Å; L277-L280 PolarHBondContact O-N 2.83Å; L277-L281 WeakPolarHBondContact O-CG 3.4Å; L277-L281 PolarHBondContact O-N 3.47Å |
| 278 | K | 92 | Very high | 82.6 | Confident | 118 Ų | 118 | 110.7 Ų | 110.7 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.9 | -46.7 | 175.1 | -74.1 | -179.6 | 176.6 | -169.6 | 0 | 111.7 | I274 Q275 L280 L281 E282 | I274-K278 HydrophobicContact CG2-CD 4.27Å; I274-K278 HydrophobicContact CG2-CG 4.46Å; I274-K278 WeakPolarHBondContact O-CG 3.39Å; I274-K278 PolarHBondContact O-N 3.49Å; Q275-K278 PolarHBondContact O-N 2.98Å; K278-L280 VanDerWaalsContact C-N 3.34Å; K278-L280 PolarHBondContact O-N 3.48Å; K278-L281 WeakPolarHBondContact O-CB 3.41Å; K278-L281 PolarHBondContact O-N 3.3Å; K278-L281 VanDerWaalsContact O-N 3.15Å; K278-E282 WeakPolarHBondContact O-CB 3.49Å; K278-E282 WeakPolarHBondContact O-CG 3.39Å; K278-E282 PolarHBondContact O-N 3.25Å |
| 279 | Q | 90.8 | Very high | 80.5 | Confident | 98 Ų | 98 | 112.9 Ų | 112.9 | 46% | 0.458 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -58.8 | -44.1 | 176.8 | -171.5 | 67.6 | 49.5 | 0 | 0 | 112.1 | Q275 Q276 L281 E282 D283 | Q275-Q279 PolarHBondContact O-N 3.19Å; Q276-Q279 PolarHBondContact O-N 3.27Å; Q279-L281 VanDerWaalsContact C-N 3.29Å; Q279-L281 PolarHBondContact O-N 2.96Å; Q279-E282 PolarHBondContact O-N 3.44Å; Q279-D283 PolarHBondContact NE2-OD1 2.63Å; Q279-D283 VanDerWaalsContact O-CB 3.31Å; Q279-D283 WeakPolarHBondContact O-CB 3.35Å; Q279-D283 PolarHBondContact O-N 2.9Å |
| 280 | L | 90.6 | Very high | 78.2 | Confident | 111 Ų | 111 | 118 Ų | 118 | 58% | 0.581 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65 | -33.7 | 178.3 | -72 | 171.4 | 0 | 0 | 0 | 112.9 | Q276 L277 K278 S284 | Q276-L280 WeakPolarHBondContact O-CG 3.47Å; Q276-L280 PolarHBondContact O-N 2.96Å; Q276-L280 VanDerWaalsContact O-N 3.12Å; L277-L280 PolarHBondContact O-N 2.83Å; K278-L280 VanDerWaalsContact C-N 3.34Å; K278-L280 PolarHBondContact O-N 3.48Å; L280-S284 WeakPolarHBondContact O-CB 3.43Å; L280-S284 PolarHBondContact O-N 2.87Å; L280-S284 PolarHBondContact O-OG 3.28Å |
| 281 | L | 87.1 | Confident | 75.9 | Confident | 115 Ų | 115 | 117.5 Ų | 117.5 | 60% | 0.602 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.2 | -47.7 | 174.6 | -72 | 163.7 | 0 | 0 | 0 | 110.6 | L277 K278 Q279 D283 S284 T285 | L277-L281 WeakPolarHBondContact O-CG 3.4Å; L277-L281 PolarHBondContact O-N 3.47Å; K278-L281 WeakPolarHBondContact O-CB 3.41Å; K278-L281 PolarHBondContact O-N 3.3Å; K278-L281 VanDerWaalsContact O-N 3.15Å; Q279-L281 VanDerWaalsContact C-N 3.29Å; Q279-L281 PolarHBondContact O-N 2.96Å; L281-D283 PolarHBondContact O-N 3.13Å; L281-S284 PolarHBondContact O-N 3.05Å; L281-S284 VanDerWaalsContact O-N 3.07Å; L281-T285 WeakPolarHBondContact O-CG2 3.46Å; L281-T285 PolarHBondContact O-N 2.93Å; L281-T285 VanDerWaalsContact O-N 3.08Å; L281-T285 PolarHBondContact O-OG1 3.47Å |
| 282 | E | 83.9 | Confident | 73.4 | Confident | 107 Ų | 107 | 119.7 Ų | 119.7 | 50% | 0.5 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -62 | -40.4 | 178.3 | -72.5 | 167.2 | -161.4 | 0 | 0 | 112.3 | K278 Q279 S284 T285 S286 | K278-E282 WeakPolarHBondContact O-CB 3.49Å; K278-E282 WeakPolarHBondContact O-CG 3.39Å; K278-E282 PolarHBondContact O-N 3.25Å; Q279-E282 PolarHBondContact O-N 3.44Å; E282-S284 PolarHBondContact O-N 2.83Å; E282-T285 PolarHBondContact O-N 3.44Å; E282-T285 PolarHBondContact O-OG1 2.84Å; E282-S286 WeakPolarHBondContact O-CB 3.22Å; E282-S286 PolarHBondContact O-N 3.49Å |
| 283 | D | 75.2 | Confident | 70.8 | Confident | 101 Ų | 101 | 122.8 Ų | 122.8 | 54% | 0.54 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -68.4 | -20.2 | 175.6 | -67.7 | -15.9 | 0 | 0 | 0 | 112.8 | Q279 L281 | Q279-D283 PolarHBondContact NE2-OD1 2.63Å; Q279-D283 VanDerWaalsContact O-CB 3.31Å; Q279-D283 WeakPolarHBondContact O-CB 3.35Å; Q279-D283 PolarHBondContact O-N 2.9Å; L281-D283 PolarHBondContact O-N 3.13Å |
| 284 | S | 70.4 | Confident | 68 | Low | 105 Ų | 105 | 120 Ų | 120 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -92.4 | -21.3 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | L280 L281 E282 | L280-S284 WeakPolarHBondContact O-CB 3.43Å; L280-S284 PolarHBondContact O-N 2.87Å; L280-S284 PolarHBondContact O-OG 3.28Å; L281-S284 PolarHBondContact O-N 3.05Å; L281-S284 VanDerWaalsContact O-N 3.07Å; E282-S284 PolarHBondContact O-N 2.83Å |
| 285 | T | 56.3 | Low | 65.9 | Low | 109 Ų | 109 | 122 Ų | 122 | 67% | 0.669 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -98.4 | -18.9 | 179.1 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | L281 E282 G287 | L281-T285 WeakPolarHBondContact O-CG2 3.46Å; L281-T285 PolarHBondContact O-N 2.93Å; L281-T285 VanDerWaalsContact O-N 3.08Å; L281-T285 PolarHBondContact O-OG1 3.47Å; E282-T285 PolarHBondContact O-N 3.44Å; E282-T285 PolarHBondContact O-OG1 2.84Å; T285-G287 PolarHBondContact O-N 3.25Å |
| 286 | S | 48.7 | Very low | 63.6 | Low | 98 Ų | 98 | 120.5 Ų | 120.5 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | -75.5 | 71.3 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | E282 | E282-S286 WeakPolarHBondContact O-CB 3.22Å; E282-S286 PolarHBondContact O-N 3.49Å | ||
| 287 | G | 47.7 | Very low | 61.2 | Low | 73 Ų | 73 | 121.7 Ų | 121.7 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | trans | -112.6 | 58.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | T285 | T285-G287 PolarHBondContact O-N 3.25Š| ||
| 288 | E | 42.8 | Very low | 58.7 | Low | 175 Ų | 175 | 119.9 Ų | 119.9 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | -123.6 | 122.8 | 174.5 | -52.9 | -170.2 | -174.1 | 0 | 0 | 109.7 | R290 | E288-R290 PolarHBondContact O-N 2.91Š| ||
| 289 | D | 49.2 | Very low | 56.9 | Low | 167 Ų | 167 | 123.1 Ų | 123.1 | 89% | 0.893 | 72% | 0.718 | S | S | * | * | trans | -58.5 | 111.1 | -168.8 | -62.3 | -66.6 | 0 | 0 | 0 | 114 | ||||
| 290 | R | 47.3 | Very low | 55.3 | Low | 248 Ų | 248 | 126.1 Ų | 126.1 | 94% | 0.936 | 73% | 0.732 | S | S | * | * | trans | -136.6 | 104.3 | 153.8 | -75.6 | -154.3 | 173 | -161.1 | -0.1 | 111.6 | E288 | E288-R290 PolarHBondContact O-N 2.91Š| ||
| 291 | S | 47 | Very low | 53.8 | Low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | trans | -83.1 | 147.8 | 170 | -77.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 292 | S | 41.8 | Very low | 52.6 | Low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | trans | 81.2 | 131.8 | 168.9 | 69.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 293 | S | 42.3 | Very low | 52 | Low | 114 Ų | 114 | 130.9 Ų | 130.9 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | cis | -169.7 | 134.4 | -1.8 | 53.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 294 | S | 35.4 | Very low | 52 | Low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | -169.6 | 121.3 | 156.8 | 172.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 295 | S | 51.6 | Low | 52.4 | Low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | -87.4 | 105.7 | -169.8 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 296 | S | 45.9 | Very low | 53.6 | Low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | -158.6 | 10.2 | 157.3 | 58.2 | 0 | 0 | 0 | 0 | 115.9 | G298 | S296-G298 VanDerWaalsContact C-N 3.26Å; S296-G298 PolarHBondContact O-N 2.91Å; S296-G298 VanDerWaalsContact O-N 3.12Å | ||
| 297 | E | 43.2 | Very low | 55.3 | Low | 143 Ų | 143 | 141.2 Ų | 141.2 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 11 | -175.8 | -80.3 | -106 | 121 | 0 | 0 | 115.9 | K301 | E297-K301 IonicContact OE2-NZ 2.81Å; E297-K301 PolarHBondContact OE2-NZ 3.41Å |
| 298 | G | 43.6 | Very low | 57.1 | Low | 55 Ų | 55 | 145.8 Ų | 145.8 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -29 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S296 H302 | S296-G298 VanDerWaalsContact C-N 3.26Å; S296-G298 PolarHBondContact O-N 2.91Å; S296-G298 VanDerWaalsContact O-N 3.12Å; G298-H302 WeakPolarHBondContact O-CB 3.44Å |
| 299 | K | 54.8 | Low | 59.2 | Low | 186 Ų | 186 | 144 Ų | 144 | 81% | 0.809 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -82 | -36.3 | -165.6 | -71.6 | -178.6 | 178.5 | 175 | 0 | 113.3 | K303 | K299-K303 WeakPolarHBondContact O-CB 3.45Å; K299-K303 PolarHBondContact O-N 2.95Å |
| 300 | E | 56.1 | Low | 61.1 | Low | 160 Ų | 160 | 144 Ų | 144 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -76.9 | -44.1 | -175.1 | -159.8 | -174.2 | 166.3 | 0 | 0 | 112.5 | H302 K303 K304 | E300-H302 VanDerWaalsContact C-N 3.26Å; E300-H302 PolarHBondContact O-N 3.27Å; E300-K303 PolarHBondContact O-N 3.2Å; E300-K303 VanDerWaalsContact O-N 3.16Å; E300-K304 WeakPolarHBondContact O-CB 3.33Å; E300-K304 PolarHBondContact O-N 2.95Å |
| 301 | K | 60.2 | Low | 63.2 | Low | 139 Ų | 139 | 138.6 Ų | 138.6 | 60% | 0.604 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -57.7 | -40 | 173.5 | -72.4 | 170.1 | 178.4 | 158 | 0 | 110.9 | E297 K305 | E297-K301 IonicContact OE2-NZ 2.81Å; E297-K301 PolarHBondContact OE2-NZ 3.41Å; K301-K305 WeakPolarHBondContact O-CB 3.43Å; K301-K305 PolarHBondContact O-N 3.13Å |
| 302 | H | 60.5 | Low | 65.3 | Low | 127 Ų | 127 | 141 Ų | 141 | 59% | 0.588 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -69.1 | -40.2 | 176 | -165.8 | 56.8 | 0 | 0 | 0 | 113 | G298 E300 K305 K306 | G298-H302 WeakPolarHBondContact O-CB 3.44Å; E300-H302 VanDerWaalsContact C-N 3.26Å; E300-H302 PolarHBondContact O-N 3.27Å; H302-K305 PolarHBondContact O-N 3.03Å; H302-K306 WeakPolarHBondContact O-CB 3.44Å; H302-K306 PolarHBondContact O-N 2.91Å |
| 303 | K | 71.4 | Confident | 67.7 | Low | 168 Ų | 168 | 142.8 Ų | 142.8 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -65.2 | -40.5 | 176 | -165.8 | 175.3 | -178.6 | -178.6 | 0 | 112 | K299 E300 K306 K307 | K299-K303 WeakPolarHBondContact O-CB 3.45Å; K299-K303 PolarHBondContact O-N 2.95Å; E300-K303 PolarHBondContact O-N 3.2Å; E300-K303 VanDerWaalsContact O-N 3.16Å; K303-K306 PolarHBondContact O-N 3.02Å; K303-K307 WeakPolarHBondContact O-CB 3.44Å; K303-K307 PolarHBondContact O-N 3.21Å |
| 304 | K | 75.4 | Confident | 70 | Confident | 164 Ų | 164 | 145.4 Ų | 145.4 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -66.5 | -42.5 | 175.9 | -167.1 | 171.5 | -177.5 | 175.2 | 0 | 111.6 | E300 K307 K308 | E300-K304 WeakPolarHBondContact O-CB 3.33Å; E300-K304 PolarHBondContact O-N 2.95Å; K304-K307 PolarHBondContact O-N 3.23Å; K304-K308 WeakPolarHBondContact O-CB 3.49Å; K304-K308 PolarHBondContact O-N 3.46Å |
| 305 | K | 79.7 | Confident | 72.7 | Confident | 152 Ų | 152 | 146 Ų | 146 | 66% | 0.661 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -62.3 | -45.9 | 174.5 | -167.4 | 173.2 | -179.5 | 178.8 | 0 | 111.6 | K301 H302 K307 K308 E309 | K301-K305 WeakPolarHBondContact O-CB 3.43Å; K301-K305 PolarHBondContact O-N 3.13Å; H302-K305 PolarHBondContact O-N 3.03Å; K305-K307 PolarHBondContact O-N 3.42Å; K305-K308 PolarHBondContact O-N 3.48Å; K305-E309 WeakPolarHBondContact O-CB 3.42Å; K305-E309 PolarHBondContact O-N 3.47Å |
| 306 | K | 81.1 | Confident | 74.6 | Confident | 145 Ų | 145 | 147 Ų | 147 | 63% | 0.63 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -62.5 | -38.8 | 177.1 | -166.8 | 171 | -175.4 | 173.1 | 0 | 112.8 | H302 K303 K310 | H302-K306 WeakPolarHBondContact O-CB 3.44Å; H302-K306 PolarHBondContact O-N 2.91Å; K303-K306 PolarHBondContact O-N 3.02Å; K306-K310 WeakPolarHBondContact O-CB 3.29Å; K306-K310 PolarHBondContact O-N 3.43Å |
| 307 | K | 83.5 | Confident | 76.7 | Confident | 168 Ų | 168 | 146.5 Ų | 146.5 | 73% | 0.73 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.8 | -41.9 | 175.6 | -167.4 | 175.5 | 179.9 | -178.5 | 0 | 112 | K303 K304 K305 K310 H311 | K303-K307 WeakPolarHBondContact O-CB 3.44Å; K303-K307 PolarHBondContact O-N 3.21Å; K304-K307 PolarHBondContact O-N 3.23Å; K305-K307 PolarHBondContact O-N 3.42Å; K307-K310 PolarHBondContact O-N 3.02Å; K307-H311 PolarHBondContact O-N 3.15Å; K307-H311 VanDerWaalsContact O-N 3.12Å |
| 308 | K | 86.2 | Confident | 78.9 | Confident | 170 Ų | 170 | 146.1 Ų | 146.1 | 74% | 0.739 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.8 | -40.2 | 176.9 | -167.7 | 173.1 | -177.8 | 177.3 | 0 | 111.6 | K304 K305 H311 K312 | K304-K308 WeakPolarHBondContact O-CB 3.49Å; K304-K308 PolarHBondContact O-N 3.46Å; K305-K308 PolarHBondContact O-N 3.48Å; K308-H311 PolarHBondContact O-N 2.69Å; K308-K312 PolarHBondContact O-N 2.78Å; K308-K312 VanDerWaalsContact O-N 3.1Å |
| 309 | E | 87.7 | Confident | 81.1 | Confident | 138 Ų | 138 | 150 Ų | 150 | 65% | 0.645 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.1 | -44.8 | 177.7 | -162.1 | -174.4 | 164.4 | 0 | 0 | 112.6 | K305 H311 K312 K313 | K305-E309 WeakPolarHBondContact O-CB 3.42Å; K305-E309 PolarHBondContact O-N 3.47Å; E309-H311 VanDerWaalsContact C-N 3.29Å; E309-H311 PolarHBondContact O-N 3.46Å; E309-K312 PolarHBondContact O-N 2.87Å; E309-K312 VanDerWaalsContact O-N 3.15Å; E309-K313 PolarHBondContact O-N 3.03Å |
| 310 | K | 89.3 | Confident | 82.6 | Confident | 167 Ų | 167 | 147.1 Ų | 147.1 | 73% | 0.726 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -58.2 | -40.9 | 175.4 | -171 | 175.1 | -178.9 | 177.4 | 0 | 111.8 | K306 K307 R314 | K306-K310 WeakPolarHBondContact O-CB 3.29Å; K306-K310 PolarHBondContact O-N 3.43Å; K307-K310 PolarHBondContact O-N 3.02Å; K310-R314 PolarHBondContact O-N 2.97Å; K310-R314 VanDerWaalsContact O-N 3.14Å |
| 311 | H | 89.5 | Confident | 84 | Confident | 133 Ų | 133 | 145.4 Ų | 145.4 | 62% | 0.616 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.9 | -42.4 | 176.4 | -173.7 | -105.5 | 0 | 0 | 0 | 112.4 | K307 K308 E309 K313 R314 K315 | K307-H311 PolarHBondContact O-N 3.15Å; K307-H311 VanDerWaalsContact O-N 3.12Å; K308-H311 PolarHBondContact O-N 2.69Å; E309-H311 VanDerWaalsContact C-N 3.29Å; E309-H311 PolarHBondContact O-N 3.46Å; H311-K313 PolarHBondContact O-N 3.39Å; H311-R314 PolarHBondContact O-N 2.85Å; H311-K315 PolarHBondContact O-N 3.02Å |
| 312 | K | 91.9 | Very high | 85.1 | Confident | 166 Ų | 166 | 145.6 Ų | 145.6 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.5 | -41.3 | 177.2 | -163.6 | 175.8 | -178.7 | -178.3 | 0 | 111.7 | K308 E309 K315 K316 | K308-K312 PolarHBondContact O-N 2.78Å; K308-K312 VanDerWaalsContact O-N 3.1Å; E309-K312 PolarHBondContact O-N 2.87Å; E309-K312 VanDerWaalsContact O-N 3.15Å; K312-K315 PolarHBondContact O-N 3.01Å; K312-K316 PolarHBondContact O-N 3.39Å; K312-K316 VanDerWaalsContact O-N 3.1Å |
| 313 | K | 92.3 | Very high | 86.1 | Confident | 160 Ų | 160 | 147.4 Ų | 147.4 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -62.3 | -46.4 | 175.8 | -167.8 | 173.2 | -178.9 | 176.7 | 0 | 111.8 | E309 H311 K315 K316 E317 | E309-K313 PolarHBondContact O-N 3.03Å; H311-K313 PolarHBondContact O-N 3.39Å; K313-K315 PolarHBondContact O-N 3.5Å; K313-K316 PolarHBondContact O-N 3.07Å; K313-E317 PolarHBondContact O-N 2.93Å |
| 314 | R | 90.4 | Very high | 86.3 | Confident | 170 Ų | 170 | 148.7 Ų | 148.7 | 64% | 0.642 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.7 | -37.1 | 178.9 | -155.8 | 175.6 | -177.1 | -158.3 | 2.1 | 112.4 | K310 H311 K318 | K310-R314 PolarHBondContact O-N 2.97Å; K310-R314 VanDerWaalsContact O-N 3.14Å; H311-R314 PolarHBondContact O-N 2.85Å; R314-K318 WeakPolarHBondContact O-CG 3.39Å; R314-K318 PolarHBondContact O-N 3.26Å |
| 315 | K | 91.8 | Very high | 86.2 | Confident | 130 Ų | 130 | 148.2 Ų | 148.2 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.8 | -40.5 | 174.7 | -166.8 | 172.8 | -176.8 | 175.4 | 0 | 112 | H311 K312 K313 K319 | H311-K315 PolarHBondContact O-N 3.02Å; K312-K315 PolarHBondContact O-N 3.01Å; K313-K315 PolarHBondContact O-N 3.5Å; K315-K319 PolarHBondContact O-N 3.45Å; K315-K319 VanDerWaalsContact O-N 3.14Å |
| 316 | K | 91.5 | Very high | 85.4 | Confident | 143 Ų | 143 | 147.4 Ų | 147.4 | 62% | 0.622 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.5 | -39.1 | 176.8 | -165.7 | 173.4 | -176.7 | 177.7 | 0 | 111.8 | K312 K313 K319 K320 | K312-K316 PolarHBondContact O-N 3.39Å; K312-K316 VanDerWaalsContact O-N 3.1Å; K313-K316 PolarHBondContact O-N 3.07Å; K316-K319 PolarHBondContact O-N 3.26Å; K316-K320 PolarHBondContact O-N 2.95Å |
| 317 | E | 91.6 | Very high | 84.7 | Confident | 93 Ų | 93 | 148.6 Ų | 148.6 | 44% | 0.435 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.9 | -44.6 | 176.7 | -162.5 | -161.8 | 139.4 | 0 | 0 | 112.4 | K313 K319 K320 K321 | K313-E317 PolarHBondContact O-N 2.93Å; E317-K319 VanDerWaalsContact C-N 3.3Å; E317-K319 PolarHBondContact O-N 2.74Å; E317-K320 PolarHBondContact O-N 3.37Å; E317-K320 VanDerWaalsContact O-N 3.15Å; E317-K321 PolarHBondContact O-N 2.95Å; E317-K321 WeakPolarHBondContact OE1-CE 3.28Å; E317-K321 IonicContact OE1-NZ 2.74Å; E317-K321 PolarHBondContact OE1-NZ 3.01Å |
| 318 | K | 89.3 | Confident | 83.5 | Confident | 134 Ų | 134 | 144.2 Ų | 144.2 | 58% | 0.583 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -57.3 | -42 | 173.4 | -76.9 | -174.8 | 176.7 | -172.2 | 0 | 111.8 | R314 K321 K322 | R314-K318 WeakPolarHBondContact O-CG 3.39Å; R314-K318 PolarHBondContact O-N 3.26Å; K318-K321 PolarHBondContact O-N 3Å; K318-K322 WeakPolarHBondContact O-CG 3.32Å; K318-K322 PolarHBondContact O-N 3.31Å |
| 319 | K | 88.3 | Confident | 82.1 | Confident | 136 Ų | 136 | 140.2 Ų | 140.2 | 59% | 0.591 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.8 | -42.4 | 175 | -76.1 | -171.7 | 175 | -167.8 | 0 | 112.4 | K315 K316 E317 K322 K323 | K315-K319 PolarHBondContact O-N 3.45Å; K315-K319 VanDerWaalsContact O-N 3.14Å; K316-K319 PolarHBondContact O-N 3.26Å; E317-K319 VanDerWaalsContact C-N 3.3Å; E317-K319 PolarHBondContact O-N 2.74Å; K319-K322 PolarHBondContact O-N 2.96Å; K319-K323 PolarHBondContact O-N 3.45Å; K319-K323 VanDerWaalsContact O-N 3.08Å |
| 320 | K | 87.7 | Confident | 80.6 | Confident | 127 Ų | 127 | 142.3 Ų | 142.3 | 55% | 0.552 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.2 | -42.5 | 175.9 | -75.2 | -173.9 | 175.4 | -169.5 | 0 | 112.3 | K316 E317 K323 R324 | K316-K320 PolarHBondContact O-N 2.95Å; E317-K320 PolarHBondContact O-N 3.37Å; E317-K320 VanDerWaalsContact O-N 3.15Å; K320-K323 PolarHBondContact O-N 2.85Å; K320-R324 PolarHBondContact O-N 2.88Å |
| 321 | K | 85.2 | Confident | 78.9 | Confident | 124 Ų | 124 | 138.5 Ų | 138.5 | 54% | 0.539 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -61.6 | -42.7 | 175.8 | -80.6 | 176.1 | 167.8 | 162 | 0 | 112 | E317 K318 R324 K325 | E317-K321 PolarHBondContact O-N 2.95Å; E317-K321 WeakPolarHBondContact OE1-CE 3.28Å; E317-K321 IonicContact OE1-NZ 2.74Å; E317-K321 PolarHBondContact OE1-NZ 3.01Å; K318-K321 PolarHBondContact O-N 3Å; K321-R324 PolarHBondContact O-N 2.85Å; K321-K325 WeakPolarHBondContact O-CG 3.32Å; K321-K325 PolarHBondContact O-N 2.93Å; K321-K325 VanDerWaalsContact O-N 3.11Å |
| 322 | K | 83.3 | Confident | 77 | Confident | 143 Ų | 143 | 139.3 Ų | 139.3 | 62% | 0.622 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.5 | -47.5 | 173.7 | -73 | -170.8 | 175.6 | -163.2 | 0 | 111.8 | K318 K319 R324 K325 H326 | K318-K322 WeakPolarHBondContact O-CG 3.32Å; K318-K322 PolarHBondContact O-N 3.31Å; K319-K322 PolarHBondContact O-N 2.96Å; K322-R324 VanDerWaalsContact C-N 3.33Å; K322-R324 PolarHBondContact O-N 2.96Å; K322-K325 PolarHBondContact O-N 2.98Å; K322-H326 PolarHBondContact O-CD2 3.07Å; K322-H326 PolarHBondContact O-N 3.15Å; K322-H326 VanDerWaalsContact O-N 3.16Å |
| 323 | K | 81.1 | Confident | 75.1 | Confident | 164 Ų | 164 | 140.9 Ų | 140.9 | 71% | 0.713 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.6 | -37.2 | 177.5 | -72.4 | -169.1 | 175 | -163.1 | 0 | 113.5 | K319 K320 K327 | K319-K323 PolarHBondContact O-N 3.45Å; K319-K323 VanDerWaalsContact O-N 3.08Å; K320-K323 PolarHBondContact O-N 2.85Å; K323-K327 PolarHBondContact O-N 3.32Å |
| 324 | R | 75.8 | Confident | 73.4 | Confident | 196 Ų | 196 | 136.4 Ų | 136.4 | 74% | 0.74 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.9 | -40.9 | 175.6 | -73.5 | -178 | 176.7 | -176.3 | -3.4 | 112.3 | K320 K321 K322 H326 K327 S328 | K320-R324 PolarHBondContact O-N 2.88Å; K321-R324 PolarHBondContact O-N 2.85Å; K322-R324 VanDerWaalsContact C-N 3.33Å; K322-R324 PolarHBondContact O-N 2.96Å; R324-H326 VanDerWaalsContact C-N 3.35Å; R324-H326 PolarHBondContact O-N 3.03Å; R324-K327 PolarHBondContact O-N 3.02Å; R324-K327 VanDerWaalsContact O-N 3.14Å; R324-S328 PolarHBondContact O-N 3.4Å; R324-S328 PolarHBondContact O-OG 2.85Å |
| 325 | K | 72.9 | Confident | 71.5 | Confident | 153 Ų | 153 | 134.3 Ų | 134.3 | 67% | 0.665 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -60.8 | -41 | 175.9 | -73 | -174 | 174.3 | -163.1 | 0 | 112.8 | K321 K322 K327 S328 S329 | K321-K325 WeakPolarHBondContact O-CG 3.32Å; K321-K325 PolarHBondContact O-N 2.93Å; K321-K325 VanDerWaalsContact O-N 3.11Å; K322-K325 PolarHBondContact O-N 2.98Å; K325-K327 VanDerWaalsContact C-N 3.29Å; K325-K327 PolarHBondContact O-N 3.18Å; K325-S328 PolarHBondContact O-OG 3.14Å; K325-S328 VanDerWaalsContact O-OG 3.09Å; K325-S329 PolarHBondContact O-N 3.31Å; K325-S329 PolarHBondContact O-OG 3.23Å |
| 326 | H | 63.1 | Low | 69.4 | Low | 136 Ų | 136 | 135.4 Ų | 135.4 | 63% | 0.63 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -74.5 | -17.5 | 176.8 | -65.7 | -67.2 | 0 | 0 | 0 | 113.8 | K322 R324 S329 | K322-H326 PolarHBondContact O-CD2 3.07Å; K322-H326 PolarHBondContact O-N 3.15Å; K322-H326 VanDerWaalsContact O-N 3.16Å; R324-H326 VanDerWaalsContact C-N 3.35Å; R324-H326 PolarHBondContact O-N 3.03Å; H326-S329 WeakPolarHBondContact CA-OG 3.47Å; H326-S329 PolarHBondContact O-OG 2.99Å |
| 327 | K | 66.5 | Low | 67.5 | Low | 169 Ų | 169 | 134.2 Ų | 134.2 | 74% | 0.735 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -88.1 | -32.4 | 176.2 | -171.6 | 146.6 | -177.4 | 154.2 | 0 | 112.4 | K323 R324 K325 S329 | K323-K327 PolarHBondContact O-N 3.32Å; R324-K327 PolarHBondContact O-N 3.02Å; R324-K327 VanDerWaalsContact O-N 3.14Å; K325-K327 VanDerWaalsContact C-N 3.29Å; K325-K327 PolarHBondContact O-N 3.18Å; K327-S329 VanDerWaalsContact C-N 3.34Å |
| 328 | S | 58.3 | Low | 65.3 | Low | 76 Ų | 76 | 142.4 Ų | 142.4 | 53% | 0.531 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -75.6 | -20 | 173.9 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | R324 K325 K330 | R324-S328 PolarHBondContact O-N 3.4Å; R324-S328 PolarHBondContact O-OG 2.85Å; K325-S328 PolarHBondContact O-OG 3.14Å; K325-S328 VanDerWaalsContact O-OG 3.09Å; S328-K330 VanDerWaalsContact C-N 3.34Å |
| 329 | S | 57.7 | Low | 64.1 | Low | 87 Ų | 87 | 142.8 Ų | 142.8 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -2.6 | 176.1 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | K325 H326 K327 | K325-S329 PolarHBondContact O-N 3.31Å; K325-S329 PolarHBondContact O-OG 3.23Å; H326-S329 WeakPolarHBondContact CA-OG 3.47Å; H326-S329 PolarHBondContact O-OG 2.99Å; K327-S329 VanDerWaalsContact C-N 3.34Å |
| 330 | K | 55.8 | Low | 62.8 | Low | 181 Ų | 181 | 143.2 Ų | 143.2 | 79% | 0.787 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 6.3 | -179.3 | -165.7 | 158.1 | -178.6 | 65.8 | 0 | 113.5 | S328 | S328-K330 VanDerWaalsContact C-N 3.34Š|
| 331 | S | 52.2 | Low | 61.4 | Low | 88 Ų | 88 | 144.1 Ų | 144.1 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -118.2 | 16.6 | -178.1 | 61.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 332 | N | 50.6 | Low | 60 | Low | 150 Ų | 150 | 145.2 Ų | 145.2 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -114.6 | 21.9 | 179.4 | -86.1 | 3.6 | 0 | 0 | 0 | 113.5 | ||||
| 333 | E | 51.7 | Low | 58.6 | Low | 198 Ų | 198 | 145.4 Ų | 145.4 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | trans | -115.6 | 90.4 | 165.8 | -81.9 | 179.4 | 124.4 | 0 | 0 | 107.6 | ||||
| 334 | G | 56 | Low | 57.1 | Low | 67 Ų | 67 | 144.1 Ų | 144.1 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | 173.3 | 106 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 335 | S | 51.8 | Low | 55.7 | Low | 126 Ų | 126 | 140.4 Ų | 140.4 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | trans | 81.7 | 100.6 | 165.9 | -48.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 336 | D | 46.8 | Very low | 54.4 | Low | 153 Ų | 153 | 139.5 Ų | 139.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | -158.4 | 123.1 | 100.8 | -141.8 | -5 | 0 | 0 | 0 | 109.4 | |||||
| 337 | S | 51.6 | Low | 53.7 | Low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -137.6 | 96 | 176.1 | -63.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 338 | E | 45.4 | Very low | 52.5 | Low | 265 Ų | 265 | 137.1 Ų | 137.1 | 100% | 1.238 | 79% | 0.792 | S | S | * | * | trans | -147.7 | 0 | 153.8 | -70.4 | -162.9 | 101.3 | 0 | 0 | 109.4 |
Retrieved 338 of 338 residues in 68.5 ms
(Link to these results)