| 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 | 30.9 | Very low | 39.9 | Very low | 243 Ų | 243 | 156 Ų | 156 | 100% | 1.197 | 82% | 0.823 | S | S | * | * | 0 | 153.2 | 0 | -76.6 | 169.4 | 136.1 | 0 | 0 | 108.2 | |||||
| 2 | A | 31.6 | Very low | 40 | Very low | 86 Ų | 86 | 154.1 Ų | 154.1 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | 57.1 | 110.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 3 | T | 39.3 | Very low | 40.3 | Very low | 129 Ų | 129 | 153.6 Ų | 153.6 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | 62.9 | 135.8 | 70.6 | 70.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 4 | M | 29.3 | Very low | 40.5 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | cis | -144 | 154.1 | 28.4 | -70.8 | 178.7 | -79.5 | 0 | 0 | 115.8 | ||||
| 5 | R | 35.1 | Very low | 40.4 | Very low | 240 Ų | 240 | 156.3 Ų | 156.3 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | 39.9 | 127.9 | 146.4 | -70.7 | -177.1 | 170.5 | 165.5 | -2.6 | 122.3 | ||||
| 6 | R | 57.9 | Low | 40.4 | Very low | 235 Ų | 235 | 151.9 Ų | 151.9 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -64.9 | 145.4 | 150.5 | -66.9 | 173.9 | 171.4 | 157.7 | -5.2 | 111.2 | ||||
| 7 | P | 43.1 | Very low | 40.7 | Very low | 125 Ų | 125 | 153.1 Ų | 153.1 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -81.3 | 146.2 | 152 | 33.6 | -30.2 | 0 | 0 | 0 | 110.5 | ||||
| 8 | S | 48.4 | Very low | 40.9 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -148.4 | 94.7 | 175.5 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 9 | S | 40.6 | Very low | 40.7 | Very low | 81 Ų | 81 | 147.6 Ų | 147.6 | 57% | 0.566 | 78% | 0.784 | S | S | * | * | trans | -159.1 | 133.6 | 174.8 | 46.4 | 0 | 0 | 0 | 0 | 110.8 | N11 | S9-N11 VanDerWaalsContact C-N 3.26Å; S9-N11 PolarHBondContact O-N 2.73Å; S9-N11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | L | 42.1 | Very low | 41.3 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 53.2 | -175 | -153.8 | 159.6 | 0 | 0 | 0 | 110.5 | ||
| 11 | N | 40.3 | Very low | 41.7 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | -12.1 | -168.9 | -81.8 | 11.8 | 0 | 0 | 0 | 115.5 | S9 L13 D14 | S9-N11 VanDerWaalsContact C-N 3.26Å; S9-N11 PolarHBondContact O-N 2.73Å; S9-N11 VanDerWaalsContact O-N 3.15Å; N11-L13 VanDerWaalsContact C-N 3.26Å; N11-L13 PolarHBondContact O-N 2.71Å; N11-D14 PolarHBondContact O-N 3Å |
| 12 | D | 41.8 | Very low | 42.6 | Very low | 133 Ų | 133 | 143 Ų | 143 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -3.7 | -169.1 | -69 | -47.5 | 0 | 0 | 0 | 115.2 | ||
| 13 | L | 43.6 | Very low | 43.3 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -28.6 | 172.3 | -76.8 | 169.2 | 0 | 0 | 0 | 113.3 | N11 R15 S16 | N11-L13 VanDerWaalsContact C-N 3.26Å; N11-L13 PolarHBondContact O-N 2.71Å; L13-R15 PolarHBondContact O-N 3.08Å; L13-S16 WeakPolarHBondContact O-CB 3.49Å; L13-S16 PolarHBondContact O-N 2.84Å; L13-S16 PolarHBondContact O-OG 2.66Å |
| 14 | D | 42.4 | Very low | 43.7 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -6.2 | -172.6 | -138.3 | 19 | 0 | 0 | 0 | 112.8 | N11 | N11-D14 PolarHBondContact O-N 3Š|
| 15 | R | 39.7 | Very low | 45 | Very low | 205 Ų | 205 | 139.1 Ų | 139.1 | 77% | 0.774 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -9.4 | 178.4 | -140.7 | 171.2 | -168.9 | 171 | 3 | 114.2 | L13 H17 | L13-R15 PolarHBondContact O-N 3.08Å; R15-H17 PolarHBondContact O-N 3.26Å |
| 16 | S | 40.1 | Very low | 46 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 60% | 0.601 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -28.4 | 175.6 | -41.4 | 0 | 0 | 0 | 0 | 112.7 | L13 | L13-S16 WeakPolarHBondContact O-CB 3.49Å; L13-S16 PolarHBondContact O-N 2.84Å; L13-S16 PolarHBondContact O-OG 2.66Å |
| 17 | H | 46.2 | Very low | 46.5 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 79% | 0.792 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 7.6 | -170.9 | -70 | -66.6 | 0 | 0 | 0 | 115.1 | R15 | R15-H17 PolarHBondContact O-N 3.26Š|
| 18 | S | 44.8 | Very low | 47.9 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -147.2 | 74.8 | 176.3 | -160.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 19 | S | 36.9 | Very low | 49 | Very low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | trans | -149.6 | 67.9 | 161.6 | -161.1 | 0 | 0 | 0 | 0 | 112.2 | Y21 | S19-Y21 PolarHBondContact O-N 3.4Š| ||
| 20 | S | 52.4 | Low | 50.7 | Low | 108 Ų | 108 | 129.2 Ų | 129.2 | 76% | 0.755 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 36.7 | -1.1 | 145.7 | -156.7 | 0 | 0 | 0 | 0 | 124 | ||
| 21 | Y | 49 | Very low | 52.4 | Low | 190 Ų | 190 | 125.4 Ų | 125.4 | 75% | 0.745 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -146.9 | 5.7 | -165.7 | -115.7 | -86 | 0 | 0 | 0 | 115.4 | S19 | S19-Y21 PolarHBondContact O-N 3.4Š|
| 22 | H | 50.2 | Low | 54.5 | Low | 142 Ų | 142 | 125.4 Ų | 125.4 | 66% | 0.657 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -131.3 | -8.3 | -178 | -99.4 | 25.3 | 0 | 0 | 0 | 116.8 | Y24 H25 | H22-Y24 VanDerWaalsContact C-N 3.27Å; H22-Y24 PolarHBondContact O-N 3.43Å; H22-H25 AromaticContact CE1-CD2 3.73Å; H22-H25 AromaticContact ND1-CD2 3.94Å; H22-H25 PolarHBondContact O-N 3.14Å |
| 23 | G | 45.7 | Very low | 56.6 | Low | 51 Ų | 51 | 125.7 Ų | 125.7 | 53% | 0.526 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -60.7 | -41.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | H25 Q26 D27 | G23-H25 PolarHBondContact O-N 3.38Å; G23-H25 VanDerWaalsContact O-N 3.14Å; G23-Q26 PolarHBondContact O-N 3.22Å; G23-D27 PolarHBondContact O-N 2.91Å |
| 24 | Y | 48.1 | Very low | 58.9 | Low | 156 Ų | 156 | 123.1 Ų | 123.1 | 61% | 0.612 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -49 | -41.1 | 174.7 | -63.9 | -71.9 | 0 | 0 | 0 | 113.3 | H22 Q26 D27 E28 | H22-Y24 VanDerWaalsContact C-N 3.27Å; H22-Y24 PolarHBondContact O-N 3.43Å; Y24-Q26 PolarHBondContact O-N 2.81Å; Y24-D27 PolarHBondContact O-N 3.09Å; Y24-E28 WeakPolarHBondContact O-CA 3.38Å; Y24-E28 WeakPolarHBondContact O-CB 3.32Å; Y24-E28 WeakPolarHBondContact O-CG 3.48Å; Y24-E28 PolarHBondContact O-N 3.16Å |
| 25 | H | 56.4 | Low | 61.1 | Low | 96 Ų | 96 | 123.4 Ų | 123.4 | 44% | 0.444 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -74.1 | -2.9 | -177.8 | -86 | -16.7 | 0 | 0 | 0 | 115.5 | H22 G23 E28 R29 | H22-H25 AromaticContact CE1-CD2 3.73Å; H22-H25 AromaticContact ND1-CD2 3.94Å; H22-H25 PolarHBondContact O-N 3.14Å; G23-H25 PolarHBondContact O-N 3.38Å; G23-H25 VanDerWaalsContact O-N 3.14Å; H25-E28 IonicContact CE1-OE2 3.63Å; H25-E28 IonicContact CG-OE2 2.7Å; H25-E28 IonicContact ND1-OE2 3.17Å; H25-E28 PolarHBondContact ND1-OE2 3.28Å; H25-R29 VanDerWaalsContact O-CZ 3.28Å; H25-R29 PolarHBondContact O-NE 3.4Å; H25-R29 PolarHBondContact O-NH2 2.89Å |
| 26 | Q | 56.9 | Low | 63.5 | Low | 118 Ų | 118 | 119.5 Ų | 119.5 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -101.9 | -48.3 | 165.6 | -177.8 | 153.1 | -15.1 | 0 | 0 | 110.6 | G23 Y24 E28 R29 E30 | G23-Q26 PolarHBondContact O-N 3.22Å; Y24-Q26 PolarHBondContact O-N 2.81Å; Q26-E28 PolarHBondContact O-N 3.42Å; Q26-R29 PolarHBondContact O-N 3.05Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.47Å; Q26-E30 PolarHBondContact NE2-OE1 2.83Å; Q26-E30 PolarHBondContact O-N 2.79Å |
| 27 | D | 67.3 | Low | 65.9 | Low | 99 Ų | 99 | 119.4 Ų | 119.4 | 53% | 0.529 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -55 | -37.6 | 173.9 | -61.4 | -10.5 | 0 | 0 | 0 | 111.9 | G23 Y24 M31 | G23-D27 PolarHBondContact O-N 2.91Å; Y24-D27 PolarHBondContact O-N 3.09Å; D27-M31 WeakPolarHBondContact O-CB 3.33Å; D27-M31 PolarHBondContact O-N 3.15Å |
| 28 | E | 72.9 | Confident | 68.1 | Low | 94 Ų | 94 | 115.5 Ų | 115.5 | 44% | 0.439 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.5 | -40 | 174.4 | -80.5 | 170.6 | 160.8 | 0 | 0 | 112.4 | Y24 H25 Q26 M31 E32 | Y24-E28 WeakPolarHBondContact O-CA 3.38Å; Y24-E28 WeakPolarHBondContact O-CB 3.32Å; Y24-E28 WeakPolarHBondContact O-CG 3.48Å; Y24-E28 PolarHBondContact O-N 3.16Å; H25-E28 IonicContact CE1-OE2 3.63Å; H25-E28 IonicContact CG-OE2 2.7Å; H25-E28 IonicContact ND1-OE2 3.17Å; H25-E28 PolarHBondContact ND1-OE2 3.28Å; Q26-E28 PolarHBondContact O-N 3.42Å; E28-M31 CarbonylContact O-C 3.57Å; E28-M31 PolarHBondContact O-N 2.73Å; E28-E32 WeakPolarHBondContact O-CB 3.24Å; E28-E32 PolarHBondContact O-N 3.3Å |
| 29 | R | 72.6 | Confident | 70.3 | Confident | 171 Ų | 171 | 115.4 Ų | 115.4 | 65% | 0.645 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74.7 | -36.5 | -179.5 | -85.8 | -179.3 | -77.4 | -173.8 | -4.3 | 112 | H25 Q26 E32 F33 | H25-R29 VanDerWaalsContact O-CZ 3.28Å; H25-R29 PolarHBondContact O-NE 3.4Å; H25-R29 PolarHBondContact O-NH2 2.89Å; Q26-R29 PolarHBondContact O-N 3.05Å; R29-E32 PolarHBondContact O-N 2.99Å; R29-F33 WeakPolarHBondContact O-CB 3.21Å; R29-F33 PolarHBondContact O-N 3Å |
| 30 | E | 75.9 | Confident | 72.7 | Confident | 107 Ų | 107 | 116.9 Ų | 116.9 | 50% | 0.5 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.7 | -38.6 | 172.2 | -66.1 | 178.6 | -154.2 | 0 | 0 | 110.6 | Q26 L34 | Q26-E30 WeakPolarHBondContact CG-OE1 3.47Å; Q26-E30 PolarHBondContact NE2-OE1 2.83Å; Q26-E30 PolarHBondContact O-N 2.79Å; E30-L34 WeakPolarHBondContact O-CB 3.26Å; E30-L34 VanDerWaalsContact O-CG 3.29Å; E30-L34 WeakPolarHBondContact O-CG 3.19Å; E30-L34 PolarHBondContact O-N 2.95Å |
| 31 | M | 77.2 | Confident | 74.3 | Confident | 92 Ų | 92 | 116.6 Ų | 116.6 | 45% | 0.453 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70 | -32.6 | 173.4 | -168.3 | -177.1 | -51.1 | 0 | 0 | 113.2 | D27 E28 R35 | D27-M31 WeakPolarHBondContact O-CB 3.33Å; D27-M31 PolarHBondContact O-N 3.15Å; E28-M31 CarbonylContact O-C 3.57Å; E28-M31 PolarHBondContact O-N 2.73Å; M31-R35 WeakPolarHBondContact O-CB 3.27Å; M31-R35 WeakPolarHBondContact O-CD 3.47Å; M31-R35 WeakPolarHBondContact O-CG 3.47Å; M31-R35 PolarHBondContact O-N 2.85Å; M31-R35 PolarHBondContact SD-NH2 2.84Å |
| 32 | E | 83.7 | Confident | 76.1 | Confident | 120 Ų | 120 | 111.8 Ų | 111.8 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.2 | -40.6 | 175.8 | -174.3 | 161.9 | -116.5 | 0 | 0 | 111.3 | E28 R29 R35 L36 | E28-E32 WeakPolarHBondContact O-CB 3.24Å; E28-E32 PolarHBondContact O-N 3.3Å; R29-E32 PolarHBondContact O-N 2.99Å; E32-R35 PolarHBondContact O-N 3.42Å; E32-L36 PolarHBondContact O-N 2.8Å |
| 33 | F | 86.4 | Confident | 77.8 | Confident | 139 Ų | 139 | 110.2 Ų | 110.2 | 61% | 0.61 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.9 | -48.2 | 168.9 | 179.1 | -96.1 | 0 | 0 | 0 | 111.8 | R29 R35 L36 Q37 | R29-F33 WeakPolarHBondContact O-CB 3.21Å; R29-F33 PolarHBondContact O-N 3Å; F33-R35 PolarHBondContact O-N 3.33Å; F33-L36 WeakPolarHBondContact O-CB 3.49Å; F33-L36 PolarHBondContact O-N 2.83Å; F33-Q37 PolarHBondContact O-N 2.77Å |
| 34 | L | 91.6 | Very high | 79.7 | Confident | 95 Ų | 95 | 112.2 Ų | 112.2 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64 | -36.8 | 176.6 | -72.7 | 168.6 | 0 | 0 | 0 | 112.6 | E30 Q37 V38 | E30-L34 WeakPolarHBondContact O-CB 3.26Å; E30-L34 VanDerWaalsContact O-CG 3.29Å; E30-L34 WeakPolarHBondContact O-CG 3.19Å; E30-L34 PolarHBondContact O-N 2.95Å; L34-Q37 PolarHBondContact O-N 2.66Å; L34-V38 WeakPolarHBondContact O-CG2 3.47Å; L34-V38 PolarHBondContact O-N 3.21Å |
| 35 | R | 89.5 | Confident | 81.5 | Confident | 149 Ų | 149 | 108.9 Ų | 108.9 | 56% | 0.562 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | 172.2 | -77.7 | 166 | -176.1 | 169.2 | 3.4 | 111.6 | M31 E32 F33 Q37 V38 V39 | M31-R35 WeakPolarHBondContact O-CB 3.27Å; M31-R35 WeakPolarHBondContact O-CD 3.47Å; M31-R35 WeakPolarHBondContact O-CG 3.47Å; M31-R35 PolarHBondContact O-N 2.85Å; M31-R35 PolarHBondContact SD-NH2 2.84Å; E32-R35 PolarHBondContact O-N 3.42Å; F33-R35 PolarHBondContact O-N 3.33Å; R35-Q37 VanDerWaalsContact C-N 3.35Å; R35-V38 PolarHBondContact O-N 2.98Å; R35-V39 WeakPolarHBondContact O-CG2 3.31Å; R35-V39 PolarHBondContact O-N 3.26Å |
| 36 | L | 90.3 | Very high | 83 | Confident | 123 Ų | 123 | 107.5 Ų | 107.5 | 64% | 0.644 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60 | -46.5 | 175.9 | -130.4 | 74 | 0 | 0 | 0 | 111 | E32 F33 V38 V39 E40 | E32-L36 PolarHBondContact O-N 2.8Å; F33-L36 WeakPolarHBondContact O-CB 3.49Å; F33-L36 PolarHBondContact O-N 2.83Å; L36-V38 VanDerWaalsContact C-N 3.35Å; L36-V38 PolarHBondContact O-N 2.77Å; L36-V39 PolarHBondContact O-N 3.02Å; L36-E40 WeakPolarHBondContact O-CB 3.49Å; L36-E40 PolarHBondContact O-N 2.91Å |
| 37 | Q | 89 | Confident | 84.4 | Confident | 83 Ų | 83 | 105.3 Ų | 105.3 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 177.9 | -169.3 | 174.9 | 40.7 | 0 | 0 | 112.6 | F33 L34 R35 Q41 | F33-Q37 PolarHBondContact O-N 2.77Å; L34-Q37 PolarHBondContact O-N 2.66Å; R35-Q37 VanDerWaalsContact C-N 3.35Å; Q37-Q41 WeakPolarHBondContact O-CB 3.47Å; Q37-Q41 VanDerWaalsContact O-CG 3.3Å; Q37-Q41 WeakPolarHBondContact O-CG 3.4Å; Q37-Q41 PolarHBondContact O-N 2.79Å |
| 38 | V | 92.6 | Very high | 84.9 | Confident | 90 Ų | 90 | 105.6 Ų | 105.6 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.4 | -37.5 | 174.1 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | L34 R35 L36 Q42 | L34-V38 WeakPolarHBondContact O-CG2 3.47Å; L34-V38 PolarHBondContact O-N 3.21Å; R35-V38 PolarHBondContact O-N 2.98Å; L36-V38 VanDerWaalsContact C-N 3.35Å; L36-V38 PolarHBondContact O-N 2.77Å; V38-Q42 WeakPolarHBondContact O-CB 3.22Å; V38-Q42 PolarHBondContact O-N 3.27Å |
| 39 | V | 91.2 | Very high | 85.2 | Confident | 102 Ų | 102 | 103.7 Ų | 103.7 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.6 | -40.1 | 174.9 | 169 | 0 | 0 | 0 | 0 | 111.5 | R35 L36 Q42 H43 | R35-V39 WeakPolarHBondContact O-CG2 3.31Å; R35-V39 PolarHBondContact O-N 3.26Å; L36-V39 PolarHBondContact O-N 3.02Å; V39-Q42 PolarHBondContact O-N 2.87Å; V39-H43 PolarHBondContact O-N 3.32Å |
| 40 | E | 88.8 | Confident | 85.8 | Confident | 129 Ų | 129 | 100.4 Ų | 100.4 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.2 | -45.3 | 174.6 | -174.8 | 174.7 | -149.5 | 0 | 0 | 111.5 | L36 Q42 H43 I44 | L36-E40 WeakPolarHBondContact O-CB 3.49Å; L36-E40 PolarHBondContact O-N 2.91Å; E40-Q42 VanDerWaalsContact C-N 3.33Å; E40-Q42 PolarHBondContact O-N 3.22Å; E40-H43 PolarHBondContact O-N 2.77Å; E40-I44 HydrophobicContact CG-CD1 4.44Å; E40-I44 WeakPolarHBondContact O-CG1 3.3Å; E40-I44 PolarHBondContact O-N 2.78Å |
| 41 | Q | 85.8 | Confident | 85.8 | Confident | 102 Ų | 102 | 97.9 Ų | 97.9 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 172.9 | -74.2 | 178.1 | 5.1 | 0 | 0 | 112.3 | Q37 I44 I45 | Q37-Q41 WeakPolarHBondContact O-CB 3.47Å; Q37-Q41 VanDerWaalsContact O-CG 3.3Å; Q37-Q41 WeakPolarHBondContact O-CG 3.4Å; Q37-Q41 PolarHBondContact O-N 2.79Å; Q41-I44 PolarHBondContact O-N 3.17Å; Q41-I45 WeakPolarHBondContact O-CB 3.36Å; Q41-I45 WeakPolarHBondContact O-CD1 3.49Å; Q41-I45 VanDerWaalsContact O-CG1 3.25Å; Q41-I45 WeakPolarHBondContact O-CG1 3.45Å; Q41-I45 PolarHBondContact O-N 2.86Å |
| 42 | Q | 86 | Confident | 85.5 | Confident | 89 Ų | 89 | 99.6 Ų | 99.6 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 174.7 | -170.9 | 63.1 | 57.9 | 0 | 0 | 111.6 | V38 V39 E40 I44 I45 D46 | V38-Q42 WeakPolarHBondContact O-CB 3.22Å; V38-Q42 PolarHBondContact O-N 3.27Å; V39-Q42 PolarHBondContact O-N 2.87Å; E40-Q42 VanDerWaalsContact C-N 3.33Å; E40-Q42 PolarHBondContact O-N 3.22Å; Q42-I44 VanDerWaalsContact C-N 3.34Å; Q42-I44 PolarHBondContact O-N 3.14Å; Q42-I45 PolarHBondContact O-N 3.48Å; Q42-D46 PolarHBondContact NE2-OD1 2.81Å; Q42-D46 WeakPolarHBondContact O-CB 3.39Å; Q42-D46 PolarHBondContact O-N 2.88Å |
| 43 | H | 85.9 | Confident | 85.1 | Confident | 110 Ų | 110 | 99.9 Ų | 99.9 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 175.3 | -161.4 | -60.2 | 0 | 0 | 0 | 111.7 | V39 E40 D46 D47 | V39-H43 PolarHBondContact O-N 3.32Å; E40-H43 PolarHBondContact O-N 2.77Å; H43-D46 PolarHBondContact O-N 2.9Å; H43-D47 IonicContact CE1-OD1 3.52Å; H43-D47 IonicContact CE1-OD2 2.72Å; H43-D47 PolarHBondContact CE1-OD2 3.15Å; H43-D47 IonicContact ND1-OD1 2.65Å; H43-D47 IonicContact ND1-OD2 3.42Å; H43-D47 PolarHBondContact ND1-OD2 3.49Å; H43-D47 WeakPolarHBondContact O-CB 3.35Å; H43-D47 VanDerWaalsContact O-CG 3.28Å; H43-D47 PolarHBondContact O-N 2.9Å |
| 44 | I | 85.4 | Confident | 84.5 | Confident | 92 Ų | 92 | 97.2 Ų | 97.2 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 174.8 | -65.6 | 164 | 0 | 0 | 0 | 110.9 | E40 Q41 Q42 D47 L48 | E40-I44 HydrophobicContact CG-CD1 4.44Å; E40-I44 WeakPolarHBondContact O-CG1 3.3Å; E40-I44 PolarHBondContact O-N 2.78Å; Q41-I44 PolarHBondContact O-N 3.17Å; Q42-I44 VanDerWaalsContact C-N 3.34Å; Q42-I44 PolarHBondContact O-N 3.14Å; I44-D47 PolarHBondContact O-N 3.11Å; I44-L48 HydrophobicContact CG2-CD1 3.95Å; I44-L48 WeakPolarHBondContact O-CB 3.48Å; I44-L48 VanDerWaalsContact O-CG 3.25Å; I44-L48 WeakPolarHBondContact O-CG 3.31Å; I44-L48 PolarHBondContact O-N 2.82Å |
| 45 | I | 86 | Confident | 83.5 | Confident | 87 Ų | 87 | 95.4 Ų | 95.4 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.8 | -71.4 | 164 | 0 | 0 | 0 | 111 | Q41 Q42 S49 | Q41-I45 WeakPolarHBondContact O-CB 3.36Å; Q41-I45 WeakPolarHBondContact O-CD1 3.49Å; Q41-I45 VanDerWaalsContact O-CG1 3.25Å; Q41-I45 WeakPolarHBondContact O-CG1 3.45Å; Q41-I45 PolarHBondContact O-N 2.86Å; Q42-I45 PolarHBondContact O-N 3.48Å; I45-S49 VanDerWaalsContact O-CB 3.24Å; I45-S49 WeakPolarHBondContact O-CB 3.25Å; I45-S49 PolarHBondContact O-N 2.83Å; I45-S49 PolarHBondContact O-OG 2.76Å |
| 46 | D | 88.6 | Confident | 82.5 | Confident | 67 Ų | 67 | 89.6 Ų | 89.6 | 36% | 0.358 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 178.9 | -73.6 | -1.9 | 0 | 0 | 0 | 111.2 | Q42 H43 S49 K50 | Q42-D46 PolarHBondContact NE2-OD1 2.81Å; Q42-D46 WeakPolarHBondContact O-CB 3.39Å; Q42-D46 PolarHBondContact O-N 2.88Å; H43-D46 PolarHBondContact O-N 2.9Å; D46-S49 PolarHBondContact O-N 2.72Å; D46-K50 WeakPolarHBondContact O-CB 3.22Å; D46-K50 WeakPolarHBondContact O-CD 3.42Å; D46-K50 VanDerWaalsContact O-CE 3.29Å; D46-K50 WeakPolarHBondContact O-CE 3.47Å; D46-K50 WeakPolarHBondContact O-CG 3.43Å; D46-K50 PolarHBondContact O-N 3.41Å |
| 47 | D | 85.9 | Confident | 81.4 | Confident | 71 Ų | 71 | 91.5 Ų | 91.5 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.4 | -40.5 | 177.5 | -69.6 | -22.8 | 0 | 0 | 0 | 112.3 | H43 I44 S49 K50 A51 | H43-D47 IonicContact CE1-OD1 3.52Å; H43-D47 IonicContact CE1-OD2 2.72Å; H43-D47 PolarHBondContact CE1-OD2 3.15Å; H43-D47 IonicContact ND1-OD1 2.65Å; H43-D47 IonicContact ND1-OD2 3.42Å; H43-D47 PolarHBondContact ND1-OD2 3.49Å; H43-D47 WeakPolarHBondContact O-CB 3.35Å; H43-D47 VanDerWaalsContact O-CG 3.28Å; H43-D47 PolarHBondContact O-N 2.9Å; I44-D47 PolarHBondContact O-N 3.11Å; D47-S49 VanDerWaalsContact C-N 3.28Å; D47-S49 PolarHBondContact O-N 3.46Å; D47-K50 PolarHBondContact O-N 2.85Å; D47-K50 IonicContact OD1-NZ 3.53Å; D47-K50 PolarHBondContact OD1-NZ 3.41Å; D47-A51 WeakPolarHBondContact O-CB 3.41Å; D47-A51 PolarHBondContact O-N 3.42Å |
| 48 | L | 76.7 | Confident | 80.3 | Confident | 106 Ų | 106 | 91.2 Ų | 91.2 | 56% | 0.555 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.6 | -35.6 | 170.7 | -71 | 171.8 | 0 | 0 | 0 | 111.7 | I44 A51 L52 | I44-L48 HydrophobicContact CG2-CD1 3.95Å; I44-L48 WeakPolarHBondContact O-CB 3.48Å; I44-L48 VanDerWaalsContact O-CG 3.25Å; I44-L48 WeakPolarHBondContact O-CG 3.31Å; I44-L48 PolarHBondContact O-N 2.82Å; L48-A51 PolarHBondContact O-N 2.87Å; L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 WeakPolarHBondContact O-CG 3.41Å; L48-L52 PolarHBondContact O-N 3.04Å |
| 49 | S | 81.1 | Confident | 79.2 | Confident | 54 Ų | 54 | 92.8 Ų | 92.8 | 38% | 0.378 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.7 | -45.6 | 175.7 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | I45 D46 D47 A51 L52 E53 | I45-S49 VanDerWaalsContact O-CB 3.24Å; I45-S49 WeakPolarHBondContact O-CB 3.25Å; I45-S49 PolarHBondContact O-N 2.83Å; I45-S49 PolarHBondContact O-OG 2.76Å; D46-S49 PolarHBondContact O-N 2.72Å; D47-S49 VanDerWaalsContact C-N 3.28Å; D47-S49 PolarHBondContact O-N 3.46Å; S49-A51 VanDerWaalsContact C-N 3.29Å; S49-A51 PolarHBondContact O-N 2.7Å; S49-L52 PolarHBondContact O-N 2.62Å; S49-E53 WeakPolarHBondContact O-CG 3.48Å; S49-E53 PolarHBondContact O-N 2.99Å |
| 50 | K | 83.7 | Confident | 78.1 | Confident | 101 Ų | 101 | 92.3 Ų | 92.3 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 171.9 | -68.6 | 160.3 | -144 | 157.7 | 0 | 111.5 | D46 D47 T54 | D46-K50 WeakPolarHBondContact O-CB 3.22Å; D46-K50 WeakPolarHBondContact O-CD 3.42Å; D46-K50 VanDerWaalsContact O-CE 3.29Å; D46-K50 WeakPolarHBondContact O-CE 3.47Å; D46-K50 WeakPolarHBondContact O-CG 3.43Å; D46-K50 PolarHBondContact O-N 3.41Å; D47-K50 PolarHBondContact O-N 2.85Å; D47-K50 IonicContact OD1-NZ 3.53Å; D47-K50 PolarHBondContact OD1-NZ 3.41Å; K50-T54 VanDerWaalsContact O-CB 3.26Å; K50-T54 WeakPolarHBondContact O-CB 3.47Å; K50-T54 PolarHBondContact O-N 2.95Å; K50-T54 PolarHBondContact O-OG1 3.31Å |
| 51 | A | 75.5 | Confident | 77 | Confident | 54 Ų | 54 | 90.6 Ų | 90.6 | 45% | 0.446 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D47 L48 S49 T54 A55 | D47-A51 WeakPolarHBondContact O-CB 3.41Å; D47-A51 PolarHBondContact O-N 3.42Å; L48-A51 PolarHBondContact O-N 2.87Å; S49-A51 VanDerWaalsContact C-N 3.29Å; S49-A51 PolarHBondContact O-N 2.7Å; A51-T54 PolarHBondContact O-N 3.12Å; A51-A55 VanDerWaalsContact O-CB 3.31Å; A51-A55 WeakPolarHBondContact O-CB 3.04Å; A51-A55 PolarHBondContact O-N 2.94Å |
| 52 | L | 72 | Confident | 76.1 | Confident | 129 Ų | 129 | 90.8 Ų | 90.8 | 68% | 0.675 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.9 | -40.9 | 175 | -78.2 | 164.9 | 0 | 0 | 0 | 112.6 | L48 S49 A55 G56 | L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 WeakPolarHBondContact O-CG 3.41Å; L48-L52 PolarHBondContact O-N 3.04Å; S49-L52 PolarHBondContact O-N 2.62Å; L52-A55 PolarHBondContact O-N 3.44Å; L52-G56 PolarHBondContact O-N 2.83Å |
| 53 | E | 74.9 | Confident | 75.3 | Confident | 126 Ų | 126 | 91 Ų | 91 | 59% | 0.589 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.3 | -47 | 171.4 | -76.2 | -170.6 | 174.5 | 0 | 0 | 110.8 | S49 A55 G56 Y57 | S49-E53 WeakPolarHBondContact O-CG 3.48Å; S49-E53 PolarHBondContact O-N 2.99Å; E53-A55 PolarHBondContact O-N 2.97Å; E53-G56 CarbonylContact O-C 3.6Å; E53-G56 WeakPolarHBondContact O-CA 3.2Å; E53-G56 PolarHBondContact O-N 3Å; E53-G56 VanDerWaalsContact O-N 3.08Å; E53-Y57 WeakPolarHBondContact O-CD2 3.38Å; E53-Y57 PolarHBondContact O-N 2.61Å |
| 54 | T | 74.1 | Confident | 74.4 | Confident | 83 Ų | 83 | 94.7 Ų | 94.7 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 178.5 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | K50 A51 G56 Y57 V58 | K50-T54 VanDerWaalsContact O-CB 3.26Å; K50-T54 WeakPolarHBondContact O-CB 3.47Å; K50-T54 PolarHBondContact O-N 2.95Å; K50-T54 PolarHBondContact O-OG1 3.31Å; A51-T54 PolarHBondContact O-N 3.12Å; T54-G56 VanDerWaalsContact C-N 3.31Å; T54-G56 PolarHBondContact O-N 3.07Å; T54-Y57 PolarHBondContact O-N 2.95Å; T54-V58 WeakPolarHBondContact O-CB 3.34Å; T54-V58 WeakPolarHBondContact O-CG2 3.18Å; T54-V58 PolarHBondContact O-N 3.48Å |
| 55 | A | 70.1 | Confident | 73.4 | Confident | 57 Ų | 57 | 93.2 Ų | 93.2 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A51 L52 E53 V58 K59 | A51-A55 VanDerWaalsContact O-CB 3.31Å; A51-A55 WeakPolarHBondContact O-CB 3.04Å; A51-A55 PolarHBondContact O-N 2.94Å; L52-A55 PolarHBondContact O-N 3.44Å; E53-A55 PolarHBondContact O-N 2.97Å; A55-V58 PolarHBondContact O-N 2.87Å; A55-K59 WeakPolarHBondContact O-CB 3.33Å; A55-K59 PolarHBondContact O-N 3.15Å |
| 56 | G | 69.4 | Low | 72.5 | Confident | 27 Ų | 27 | 94.1 Ų | 94.1 | 28% | 0.278 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L52 E53 T54 K59 N60 | L52-G56 PolarHBondContact O-N 2.83Å; E53-G56 CarbonylContact O-C 3.6Å; E53-G56 WeakPolarHBondContact O-CA 3.2Å; E53-G56 PolarHBondContact O-N 3Å; E53-G56 VanDerWaalsContact O-N 3.08Å; T54-G56 VanDerWaalsContact C-N 3.31Å; T54-G56 PolarHBondContact O-N 3.07Å; G56-K59 PolarHBondContact O-N 3.03Å; G56-N60 WeakPolarHBondContact O-CB 3.45Å; G56-N60 PolarHBondContact O-N 3.41Å; G56-N60 PolarHBondContact O-ND2 3.26Å; G56-N60 VanDerWaalsContact O-ND2 3.14Å |
| 57 | Y | 67.5 | Low | 71.1 | Confident | 162 Ų | 162 | 96.9 Ų | 96.9 | 64% | 0.635 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | 173 | -81.5 | -69.6 | 0 | 0 | 0 | 111.7 | E53 T54 K59 N60 V61 | E53-Y57 WeakPolarHBondContact O-CD2 3.38Å; E53-Y57 PolarHBondContact O-N 2.61Å; T54-Y57 PolarHBondContact O-N 2.95Å; Y57-K59 PolarHBondContact O-N 3.24Å; Y57-N60 PolarHBondContact O-N 2.94Å; Y57-V61 WeakPolarHBondContact O-CB 3.48Å; Y57-V61 VanDerWaalsContact O-CG2 3.25Å; Y57-V61 WeakPolarHBondContact O-CG2 3.45Å; Y57-V61 PolarHBondContact O-N 3.4Å |
| 58 | V | 66.1 | Low | 69.6 | Low | 78 Ų | 78 | 97.1 Ų | 97.1 | 47% | 0.473 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 175.3 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | T54 A55 V61 I62 | T54-V58 WeakPolarHBondContact O-CB 3.34Å; T54-V58 WeakPolarHBondContact O-CG2 3.18Å; T54-V58 PolarHBondContact O-N 3.48Å; A55-V58 PolarHBondContact O-N 2.87Å; V58-V61 PolarHBondContact O-N 2.86Å; V58-I62 HydrophobicContact CG1-CD1 3.73Å; V58-I62 HydrophobicContact CG1-CG1 4.47Å; V58-I62 WeakPolarHBondContact O-CB 3.47Å; V58-I62 VanDerWaalsContact O-CG1 3.26Å; V58-I62 WeakPolarHBondContact O-CG1 3.5Å; V58-I62 PolarHBondContact O-N 3.4Å |
| 59 | K | 69.4 | Low | 68.6 | Low | 122 Ų | 122 | 99.6 Ų | 99.6 | 53% | 0.53 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 174 | -179.6 | -177.4 | 168.9 | -176.4 | 0 | 111.8 | A55 G56 Y57 V61 I62 E63 | A55-K59 WeakPolarHBondContact O-CB 3.33Å; A55-K59 PolarHBondContact O-N 3.15Å; G56-K59 PolarHBondContact O-N 3.03Å; Y57-K59 PolarHBondContact O-N 3.24Å; K59-V61 VanDerWaalsContact C-N 3.28Å; K59-V61 PolarHBondContact O-N 2.76Å; K59-I62 PolarHBondContact O-N 2.94Å; K59-E63 WeakPolarHBondContact CE-OE1 3.29Å; K59-E63 IonicContact NZ-OE1 2.68Å; K59-E63 PolarHBondContact O-N 2.89Å |
| 60 | N | 67.4 | Low | 66.9 | Low | 93 Ų | 93 | 106.6 Ų | 106.6 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -33 | 179 | -70.6 | -27.1 | 0 | 0 | 0 | 112.3 | G56 Y57 R64 | G56-N60 WeakPolarHBondContact O-CB 3.45Å; G56-N60 PolarHBondContact O-N 3.41Å; G56-N60 PolarHBondContact O-ND2 3.26Å; G56-N60 VanDerWaalsContact O-ND2 3.14Å; Y57-N60 PolarHBondContact O-N 2.94Å; N60-R64 WeakPolarHBondContact O-CB 3.42Å; N60-R64 PolarHBondContact O-N 3.3Å |
| 61 | V | 66.4 | Low | 65 | Low | 92 Ų | 92 | 112.3 Ų | 112.3 | 56% | 0.558 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.2 | -44.4 | 172.7 | 166.2 | 0 | 0 | 0 | 0 | 110.7 | Y57 V58 K59 R64 D65 | Y57-V61 WeakPolarHBondContact O-CB 3.48Å; Y57-V61 VanDerWaalsContact O-CG2 3.25Å; Y57-V61 WeakPolarHBondContact O-CG2 3.45Å; Y57-V61 PolarHBondContact O-N 3.4Å; V58-V61 PolarHBondContact O-N 2.86Å; K59-V61 VanDerWaalsContact C-N 3.28Å; K59-V61 PolarHBondContact O-N 2.76Å; V61-R64 PolarHBondContact O-N 2.94Å; V61-D65 VanDerWaalsContact O-CB 3.24Å; V61-D65 WeakPolarHBondContact O-CB 3.35Å; V61-D65 PolarHBondContact O-N 3.37Å |
| 62 | I | 67 | Low | 63.5 | Low | 107 Ų | 107 | 119.2 Ų | 119.2 | 55% | 0.549 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.1 | -47 | 176.4 | -70.3 | 164.4 | 0 | 0 | 0 | 111 | V58 K59 R64 D65 L66 | V58-I62 HydrophobicContact CG1-CD1 3.73Å; V58-I62 HydrophobicContact CG1-CG1 4.47Å; V58-I62 WeakPolarHBondContact O-CB 3.47Å; V58-I62 VanDerWaalsContact O-CG1 3.26Å; V58-I62 WeakPolarHBondContact O-CG1 3.5Å; V58-I62 PolarHBondContact O-N 3.4Å; K59-I62 PolarHBondContact O-N 2.94Å; I62-R64 VanDerWaalsContact C-N 3.35Å; I62-R64 PolarHBondContact O-N 2.79Å; I62-D65 PolarHBondContact O-N 3.48Å; I62-L66 VanDerWaalsContact O-CB 3.28Å; I62-L66 WeakPolarHBondContact O-CB 3.22Å; I62-L66 PolarHBondContact O-N 2.87Å |
| 63 | E | 68.9 | Low | 62 | Low | 94 Ų | 94 | 122 Ų | 122 | 44% | 0.439 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.2 | -40.3 | 177 | -71.9 | -179.7 | -177.4 | 0 | 0 | 111.7 | K59 L67 | K59-E63 WeakPolarHBondContact CE-OE1 3.29Å; K59-E63 IonicContact NZ-OE1 2.68Å; K59-E63 PolarHBondContact O-N 2.89Å; E63-L67 VanDerWaalsContact O-CG 3.31Å; E63-L67 WeakPolarHBondContact O-CG 3.19Å; E63-L67 PolarHBondContact O-N 3.35Å |
| 64 | R | 65.8 | Low | 59.9 | Low | 187 Ų | 187 | 124.1 Ų | 124.1 | 71% | 0.706 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.7 | -38 | 176 | -172.6 | 177.6 | -171.2 | 174.6 | 3.3 | 112.7 | N60 V61 I62 L67 L68 | N60-R64 WeakPolarHBondContact O-CB 3.42Å; N60-R64 PolarHBondContact O-N 3.3Å; V61-R64 PolarHBondContact O-N 2.94Å; I62-R64 VanDerWaalsContact C-N 3.35Å; I62-R64 PolarHBondContact O-N 2.79Å; R64-L67 PolarHBondContact O-N 3.12Å; R64-L68 HydrophobicContact CG-CD1 4.34Å; R64-L68 VanDerWaalsContact O-CG 3.27Å; R64-L68 WeakPolarHBondContact O-CG 3.44Å; R64-L68 PolarHBondContact O-N 3.31Å |
| 65 | D | 64.3 | Low | 58.6 | Low | 61 Ų | 61 | 125.6 Ų | 125.6 | 33% | 0.326 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73.6 | -35.7 | 178.7 | -164.4 | 57.6 | 0 | 0 | 0 | 111.2 | V61 I62 L67 L68 R69 | V61-D65 VanDerWaalsContact O-CB 3.24Å; V61-D65 WeakPolarHBondContact O-CB 3.35Å; V61-D65 PolarHBondContact O-N 3.37Å; I62-D65 PolarHBondContact O-N 3.48Å; D65-L67 VanDerWaalsContact C-N 3.35Å; D65-L67 PolarHBondContact O-N 3.02Å; D65-L68 CarbonylContact O-C 3.6Å; D65-L68 PolarHBondContact O-N 2.88Å; D65-L68 VanDerWaalsContact O-N 3.13Å; D65-R69 WeakPolarHBondContact O-CB 3.46Å; D65-R69 VanDerWaalsContact O-CG 3.27Å; D65-R69 WeakPolarHBondContact O-CG 3.5Å; D65-R69 PolarHBondContact O-N 3.09Å; D65-R69 IonicContact OD2-CZ 3.07Å; D65-R69 IonicContact OD2-NE 3.35Å; D65-R69 PolarHBondContact OD2-NE 3.36Å; D65-R69 IonicContact OD2-NH2 2.68Å; D65-R69 PolarHBondContact OD2-NH2 2.97Å |
| 66 | L | 68.3 | Low | 56.8 | Low | 105 Ų | 105 | 129.9 Ų | 129.9 | 55% | 0.55 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -59.5 | -44.1 | 169.1 | -171.5 | 68.3 | 0 | 0 | 0 | 111.5 | I62 L68 R69 Y70 | I62-L66 VanDerWaalsContact O-CB 3.28Å; I62-L66 WeakPolarHBondContact O-CB 3.22Å; I62-L66 PolarHBondContact O-N 2.87Å; L66-L68 VanDerWaalsContact C-N 3.32Å; L66-L68 PolarHBondContact O-N 3.39Å; L66-R69 PolarHBondContact O-N 3.43Å; L66-Y70 PolarHBondContact O-N 3.24Å |
| 67 | L | 57.9 | Low | 55 | Low | 125 Ų | 125 | 139.2 Ų | 139.2 | 65% | 0.654 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.8 | -31.1 | 173.3 | -73.8 | 167.1 | 0 | 0 | 0 | 113.1 | E63 R64 D65 R71 | E63-L67 VanDerWaalsContact O-CG 3.31Å; E63-L67 WeakPolarHBondContact O-CG 3.19Å; E63-L67 PolarHBondContact O-N 3.35Å; R64-L67 PolarHBondContact O-N 3.12Å; D65-L67 VanDerWaalsContact C-N 3.35Å; D65-L67 PolarHBondContact O-N 3.02Å; L67-R71 PolarHBondContact O-N 2.97Å |
| 68 | L | 55.3 | Low | 53.6 | Low | 76 Ų | 76 | 142.5 Ų | 142.5 | 40% | 0.398 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -75.6 | -37 | 174.5 | -74 | 167.4 | 0 | 0 | 0 | 112.2 | R64 D65 L66 R71 R72 | R64-L68 HydrophobicContact CG-CD1 4.34Å; R64-L68 VanDerWaalsContact O-CG 3.27Å; R64-L68 WeakPolarHBondContact O-CG 3.44Å; R64-L68 PolarHBondContact O-N 3.31Å; D65-L68 CarbonylContact O-C 3.6Å; D65-L68 PolarHBondContact O-N 2.88Å; D65-L68 VanDerWaalsContact O-N 3.13Å; L66-L68 VanDerWaalsContact C-N 3.32Å; L66-L68 PolarHBondContact O-N 3.39Å; L68-R71 CarbonylContact O-C 3.58Å; L68-R71 PolarHBondContact O-N 3.25Å; L68-R71 VanDerWaalsContact O-N 3.1Å; L68-R72 WeakPolarHBondContact O-CG 3.46Å; L68-R72 PolarHBondContact O-N 2.99Å |
| 69 | R | 55.8 | Low | 51.9 | Low | 159 Ų | 159 | 150 Ų | 150 | 60% | 0.6 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -61.4 | -46.2 | 172 | -71.1 | 169.3 | -165.3 | -119.4 | 1.3 | 110.6 | D65 L66 R71 R72 | D65-R69 WeakPolarHBondContact O-CB 3.46Å; D65-R69 VanDerWaalsContact O-CG 3.27Å; D65-R69 WeakPolarHBondContact O-CG 3.5Å; D65-R69 PolarHBondContact O-N 3.09Å; D65-R69 IonicContact OD2-CZ 3.07Å; D65-R69 IonicContact OD2-NE 3.35Å; D65-R69 PolarHBondContact OD2-NE 3.36Å; D65-R69 IonicContact OD2-NH2 2.68Å; D65-R69 PolarHBondContact OD2-NH2 2.97Å; L66-R69 PolarHBondContact O-N 3.43Å; R69-R71 PolarHBondContact O-N 3.3Å; R69-R71 VanDerWaalsContact O-N 3.08Å; R69-R72 PolarHBondContact O-N 3.32Å; R69-R72 VanDerWaalsContact O-N 3.09Å |
| 70 | Y | 46 | Very low | 50.4 | Low | 201 Ų | 201 | 155.1 Ų | 155.1 | 79% | 0.788 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -21.9 | 172.2 | -109 | -81.4 | 0 | 0 | 0 | 114.4 | L66 | L66-Y70 PolarHBondContact O-N 3.24Š|
| 71 | R | 43.2 | Very low | 48.5 | Very low | 221 Ų | 221 | 157.5 Ų | 157.5 | 83% | 0.834 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 2.7 | -179.4 | -161.9 | 170.9 | 177.8 | 176.4 | 0.7 | 113.9 | L67 L68 R69 | L67-R71 PolarHBondContact O-N 2.97Å; L68-R71 CarbonylContact O-C 3.58Å; L68-R71 PolarHBondContact O-N 3.25Å; L68-R71 VanDerWaalsContact O-N 3.1Å; R69-R71 PolarHBondContact O-N 3.3Å; R69-R71 VanDerWaalsContact O-N 3.08Å |
| 72 | R | 44.8 | Very low | 46.9 | Very low | 199 Ų | 199 | 162.3 Ų | 162.3 | 75% | 0.751 | 72% | 0.719 | S | S | * | * | trans | -113.4 | 15.4 | -175.2 | -79.3 | -172.9 | 179.4 | -145.1 | 5.5 | 115.4 | L68 R69 E74 | L68-R72 WeakPolarHBondContact O-CG 3.46Å; L68-R72 PolarHBondContact O-N 2.99Å; R69-R72 PolarHBondContact O-N 3.32Å; R69-R72 VanDerWaalsContact O-N 3.09Å; R72-E74 VanDerWaalsContact C-N 3.31Å; R72-E74 PolarHBondContact O-N 2.88Å | ||
| 73 | Q | 40.2 | Very low | 45.2 | Very low | 186 Ų | 186 | 169.1 Ų | 169.1 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | trans | -74.1 | 79.4 | 168 | -70.6 | -171.3 | -6.9 | 0 | 0 | 111.8 | ||||
| 74 | E | 30.6 | Very low | 43.5 | Very low | 172 Ų | 172 | 168.9 Ų | 168.9 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -159.1 | 128 | 161.9 | -108.4 | -68.3 | 139.3 | 0 | 0 | 108.5 | R72 | R72-E74 VanDerWaalsContact C-N 3.31Å; R72-E74 PolarHBondContact O-N 2.88Å | ||
| 75 | P | 45.4 | Very low | 41.6 | Very low | 113 Ų | 113 | 165.4 Ų | 165.4 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -103.5 | 128.1 | -158.8 | 36.5 | -33.5 | 0 | 0 | 0 | 116.1 | ||||
| 76 | V | 32.8 | Very low | 39.9 | Very low | 148 Ų | 148 | 173.6 Ų | 173.6 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -127 | 126.9 | 170.7 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 77 | R | 32.9 | Very low | 38.3 | Very low | 222 Ų | 222 | 174.4 Ų | 174.4 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -85.5 | 166.6 | -167.9 | -61.9 | 162 | 152.9 | 159.5 | -9.8 | 115 | ||||
| 78 | R | 36.7 | Very low | 37 | Very low | 231 Ų | 231 | 176.4 Ų | 176.4 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | 86.5 | 148.6 | 159.9 | -51.7 | 169.2 | -178.5 | 162.1 | 0.3 | 115 | ||||
| 79 | R | 30.5 | Very low | 35.9 | Very low | 237 Ų | 237 | 181.4 Ų | 181.4 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | cis | -156.2 | 156.2 | -6 | -133.4 | -174.8 | 179.4 | -166.6 | -0.5 | 110.3 | ||||
| 80 | R | 37.8 | Very low | 34.9 | Very low | 228 Ų | 228 | 180.1 Ų | 180.1 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -73.9 | 151.1 | 169.5 | -67 | 177.1 | 174.1 | 162.4 | -3.7 | 113.1 | ||||
| 81 | T | 28.9 | Very low | 34 | Very low | 143 Ų | 143 | 179.9 Ų | 179.9 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | trans | -146.9 | 129.7 | 147.1 | 39.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 82 | F | 31.2 | Very low | 33.2 | Very low | 194 Ų | 194 | 177.8 Ų | 177.8 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -78.7 | 158.5 | 170.4 | -100.9 | -108.8 | 0 | 0 | 0 | 112.3 | ||||
| 83 | R | 32.8 | Very low | 32.6 | Very low | 250 Ų | 250 | 171.2 Ų | 171.2 | 94% | 0.943 | 82% | 0.822 | S | S | * | * | trans | -159.5 | 155.1 | 142.4 | -109.2 | 168.6 | -164.7 | -134.6 | 0.5 | 110.9 | ||||
| 84 | A | 31.7 | Very low | 32.4 | Very low | 89 Ų | 89 | 170.9 Ų | 170.9 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -148.9 | 157.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 85 | C | 27.2 | Very low | 32.5 | Very low | 114 Ų | 114 | 170.3 Ų | 170.3 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | 144.6 | 149.7 | 172 | -85.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 86 | R | 28.8 | Very low | 32.3 | Very low | 232 Ų | 232 | 172 Ų | 172 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | cis | -160.3 | 167.7 | -6.9 | -123.7 | 173.6 | -173.5 | -157.1 | -0.1 | 111.1 | ||||
| 87 | V | 33.7 | Very low | 32.9 | Very low | 122 Ų | 122 | 173 Ų | 173 | 74% | 0.739 | 81% | 0.809 | S | S | * | * | trans | -75.8 | 152.8 | 171 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 88 | I | 31.8 | Very low | 33 | Very low | 168 Ų | 168 | 165.5 Ų | 165.5 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | trans | -135.8 | 149.1 | 159.4 | -63 | -175.8 | 0 | 0 | 0 | 108.7 | ||||
| 89 | E | 31.5 | Very low | 32.8 | Very low | 180 Ų | 180 | 160.3 Ų | 160.3 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -105 | -170.7 | -171.8 | -65.8 | 174.1 | 110.7 | 0 | 0 | 114 | ||||
| 90 | T | 35.6 | Very low | 33.1 | Very low | 132 Ų | 132 | 157.5 Ų | 157.5 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -102.3 | 160.1 | -167.6 | 51 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 91 | F | 25.7 | Very low | 33.4 | Very low | 197 Ų | 197 | 154 Ų | 154 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 170.2 | 162.7 | 154.4 | -107.8 | -143.4 | 0 | 0 | 0 | 108.8 | ||||
| 92 | Y | 27.8 | Very low | 33.7 | Very low | 177 Ų | 177 | 153 Ų | 153 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | cis | -171 | 154.3 | -24 | 167.9 | -95 | 0 | 0 | 0 | 108.2 | Y94 | Y92-Y94 HydrophobicContact CE2-CD2 4.35Å; Y92-Y94 WeakPolarHBondContact OH-CD2 3.33Å | ||
| 93 | G | 31.6 | Very low | 34.7 | Very low | 61 Ų | 61 | 151.9 Ų | 151.9 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | trans | 177.4 | 154.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 94 | Y | 34.9 | Very low | 34.8 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | -157.6 | 142.5 | -168.7 | -132.2 | -82.9 | 0 | 0 | 0 | 110.2 | Y92 | Y92-Y94 HydrophobicContact CE2-CD2 4.35Å; Y92-Y94 WeakPolarHBondContact OH-CD2 3.33Å | ||
| 95 | D | 33.8 | Very low | 35.4 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -170.3 | 166.2 | 153.2 | -138.2 | -16.3 | 0 | 0 | 0 | 113.9 | ||||
| 96 | E | 41.6 | Very low | 36 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | -143.2 | 175.6 | -172.3 | -52 | 178 | -176.9 | 0 | 0 | 110.3 | ||||
| 97 | E | 43.6 | Very low | 36.4 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | cis | -166.6 | 172.8 | 1.8 | -139.7 | -68.6 | 88.9 | 0 | 0 | 110.1 | ||||
| 98 | A | 35.7 | Very low | 36.6 | Very low | 66 Ų | 66 | 140.5 Ų | 140.5 | 55% | 0.545 | 79% | 0.789 | S | S | . | * | trans | 97.8 | 151.7 | 138.9 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 99 | S | 32 | Very low | 36.8 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 91.3 | 155 | 155.1 | 77 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 100 | M | 38.1 | Very low | 37 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | cis | -168.5 | 165.5 | -47 | -138.1 | 179.8 | 75.3 | 0 | 0 | 111.9 | ||||
| 101 | D | 42.6 | Very low | 37.2 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -98.2 | 174.4 | -166.7 | -43.2 | -87.9 | 0 | 0 | 0 | 118.8 | ||||
| 102 | S | 35.4 | Very low | 38.1 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -166.9 | 163.2 | 165.5 | -161.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 103 | D | 53.8 | Low | 38.7 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -140.7 | 172.3 | -162.8 | -99.4 | -39.5 | 0 | 0 | 0 | 116.8 | ||||
| 104 | G | 33.9 | Very low | 39.2 | Very low | 78 Ų | 78 | 142.6 Ų | 142.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 160 | 142.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 105 | S | 43.6 | Very low | 40.1 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -170.1 | 156.7 | 174.4 | -170.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 106 | S | 40.6 | Very low | 40.5 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 176.2 | 177 | 169.8 | -83.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 107 | L | 38 | Very low | 40.5 | Very low | 150 Ų | 150 | 139 Ų | 139 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | -173.2 | 167 | -52.5 | -147.4 | 75.9 | 0 | 0 | 0 | 113 | |||||
| 108 | S | 36.1 | Very low | 40.5 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | 80.9 | 162 | 154.7 | 84.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 109 | F | 37.6 | Very low | 41.3 | Very low | 201 Ų | 201 | 138.9 Ų | 138.9 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | cis | -160.6 | -171.6 | -41.2 | -118.7 | -72.4 | 0 | 0 | 0 | 112.1 | ||||
| 110 | H | 35.3 | Very low | 42.1 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 70% | 0.704 | 78% | 0.778 | S | S | * | * | trans | -141.7 | 155.7 | -166.8 | 160 | 87.2 | 0 | 0 | 0 | 113.9 | ||||
| 111 | T | 39.8 | Very low | 42.8 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -158.9 | 165.3 | 161.9 | 10 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 112 | D | 44.8 | Very low | 43.3 | Very low | 121 Ų | 121 | 134 Ų | 134 | 65% | 0.647 | 76% | 0.756 | S | S | * | * | trans | -144 | 159.9 | -172.8 | 160.7 | 59.3 | 0 | 0 | 0 | 111.5 | ||||
| 113 | R | 40.3 | Very low | 44.2 | Very low | 223 Ų | 223 | 131 Ų | 131 | 84% | 0.842 | 73% | 0.734 | S | S | * | * | trans | 168.9 | 144.9 | 140.4 | -96.5 | 167.1 | -175.2 | 125.5 | 3 | 116.4 | ||||
| 114 | T | 42.3 | Very low | 44.4 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 80% | 0.798 | 71% | 0.711 | S | S | * | * | trans | -116.4 | 161.2 | 156.9 | 28.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 115 | P | 52.9 | Low | 45.8 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 87% | 0.87 | 70% | 0.7 | S | S | * | * | trans | -130.4 | 175.4 | 147.6 | 38.1 | -25.7 | 0 | 0 | 0 | 112.9 | ||||
| 116 | D | 41.7 | Very low | 46.9 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | trans | -132.5 | 141.6 | -159.5 | 175.9 | 25.3 | 0 | 0 | 0 | 112 | ||||
| 117 | T | 42.2 | Very low | 48.4 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 82% | 0.816 | 66% | 0.663 | S | S | * | * | trans | -164 | 130.9 | 168.5 | -47.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 118 | E | 44.3 | Very low | 50.1 | Low | 174 Ų | 174 | 122.9 Ų | 122.9 | 81% | 0.813 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 143.6 | 176.2 | -67.6 | -76.3 | 166.2 | 0 | 0 | 113.4 | ||
| 119 | P | 52.5 | Low | 52.2 | Low | 56 Ų | 56 | 122.9 Ų | 122.9 | 36% | 0.364 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -98.1 | 145.5 | -174.8 | 6.1 | 15.3 | 0 | 0 | 0 | 115.2 | C123 V124 | P119-C123 HydrophobicContact CB-CB 4.11Å; P119-V124 HydrophobicContact CB-CG2 3.85Å; P119-V124 HydrophobicContact CG-CG2 4.04Å |
| 120 | D | 47.8 | Very low | 54.4 | Low | 106 Ų | 106 | 118.2 Ų | 118.2 | 57% | 0.567 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -56 | 141.9 | 165.4 | -179.4 | -48.8 | 0 | 0 | 0 | 111.4 | T122 C123 V124 | D120-T122 PolarHBondContact O-N 3.44Å; D120-T122 VanDerWaalsContact O-N 3.09Å; D120-T122 WeakPolarHBondContact OD1-CB 3.15Å; D120-T122 PolarHBondContact OD1-N 2.91Å; D120-T122 PolarHBondContact OD1-OG1 2.97Å; D120-C123 HydrophobicContact CB-CB 4.02Å; D120-C123 CarbonylContact O-C 3.56Å; D120-C123 VanDerWaalsContact O-CA 3.27Å; D120-C123 WeakPolarHBondContact O-CA 3.3Å; D120-C123 WeakPolarHBondContact O-CB 3.36Å; D120-C123 PolarHBondContact O-N 2.98Å; D120-V124 WeakPolarHBondContact O-CG2 3.47Å; D120-V124 PolarHBondContact O-N 3.28Å |
| 121 | E | 53.7 | Low | 56.7 | Low | 173 Ų | 173 | 118 Ų | 118 | 81% | 0.808 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -58.9 | -24.9 | -178.9 | -68.7 | -167 | 152.8 | 0 | 0 | 114.3 | R125 | E121-R125 PolarHBondContact O-N 2.97Å |
| 122 | T | 53.2 | Low | 59 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 45% | 0.448 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73 | -40 | 169.7 | 57.6 | 0 | 0 | 0 | 0 | 111.9 | D120 R125 E126 | D120-T122 PolarHBondContact O-N 3.44Å; D120-T122 VanDerWaalsContact O-N 3.09Å; D120-T122 WeakPolarHBondContact OD1-CB 3.15Å; D120-T122 PolarHBondContact OD1-N 2.91Å; D120-T122 PolarHBondContact OD1-OG1 2.97Å; T122-R125 PolarHBondContact O-N 3.45Å; T122-E126 PolarHBondContact O-N 3.48Å |
| 123 | C | 54.5 | Low | 61.1 | Low | 60 Ų | 60 | 120 Ų | 120 | 41% | 0.405 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.2 | -45.4 | 170.7 | -170.8 | 0 | 0 | 0 | 0 | 111.1 | P119 D120 R125 E126 E127 | P119-C123 HydrophobicContact CB-CB 4.11Å; D120-C123 HydrophobicContact CB-CB 4.02Å; D120-C123 CarbonylContact O-C 3.56Å; D120-C123 VanDerWaalsContact O-CA 3.27Å; D120-C123 WeakPolarHBondContact O-CA 3.3Å; D120-C123 WeakPolarHBondContact O-CB 3.36Å; D120-C123 PolarHBondContact O-N 2.98Å; C123-R125 PolarHBondContact O-N 2.86Å; C123-R125 VanDerWaalsContact O-N 3.15Å; C123-E126 PolarHBondContact O-N 3.06Å; C123-E126 VanDerWaalsContact O-N 3.08Å; C123-E127 WeakPolarHBondContact O-CB 3.49Å; C123-E127 PolarHBondContact O-N 2.96Å |
| 124 | V | 57.4 | Low | 63.4 | Low | 69 Ų | 69 | 115.1 Ų | 115.1 | 42% | 0.418 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -55.1 | -36.4 | 178.3 | 176.7 | 0 | 0 | 0 | 0 | 112 | P119 D120 A128 | P119-V124 HydrophobicContact CB-CG2 3.85Å; P119-V124 HydrophobicContact CG-CG2 4.04Å; D120-V124 WeakPolarHBondContact O-CG2 3.47Å; D120-V124 PolarHBondContact O-N 3.28Å; V124-A128 VanDerWaalsContact O-CB 3.26Å; V124-A128 WeakPolarHBondContact O-CB 3.39Å; V124-A128 PolarHBondContact O-N 3.22Å |
| 125 | R | 62.9 | Low | 65.7 | Low | 153 Ų | 153 | 114.5 Ų | 114.5 | 58% | 0.577 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -72 | -44.7 | 176.6 | -176.1 | 177.9 | 60.7 | -124.6 | -9.3 | 112.5 | E121 T122 C123 E127 A128 E129 | E121-R125 PolarHBondContact O-N 2.97Å; T122-R125 PolarHBondContact O-N 3.45Å; C123-R125 PolarHBondContact O-N 2.86Å; C123-R125 VanDerWaalsContact O-N 3.15Å; R125-E127 VanDerWaalsContact C-N 3.33Å; R125-A128 PolarHBondContact O-N 3.41Å; R125-E129 PolarHBondContact O-N 2.97Å |
| 126 | E | 67.7 | Low | 67.5 | Low | 126 Ų | 126 | 110.4 Ų | 110.4 | 59% | 0.589 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.3 | -35.6 | 177.4 | -68.3 | -178.4 | -176.1 | 0 | 0 | 111.3 | T122 C123 E129 L130 | T122-E126 PolarHBondContact O-N 3.48Å; C123-E126 PolarHBondContact O-N 3.06Å; C123-E126 VanDerWaalsContact O-N 3.08Å; E126-E129 CarbonylContact O-C 3.5Å; E126-E129 WeakPolarHBondContact O-CB 3.47Å; E126-E129 PolarHBondContact O-N 3.35Å; E126-L130 WeakPolarHBondContact O-CB 3.43Å; E126-L130 VanDerWaalsContact O-CG 3.32Å; E126-L130 WeakPolarHBondContact O-CG 3.22Å; E126-L130 PolarHBondContact O-N 3.44Å |
| 127 | E | 70.6 | Confident | 69.9 | Low | 57 Ų | 57 | 109.4 Ų | 109.4 | 27% | 0.266 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 173 | -162 | -166.2 | -178 | 0 | 0 | 111.7 | C123 R125 E129 L130 R131 | C123-E127 WeakPolarHBondContact O-CB 3.49Å; C123-E127 PolarHBondContact O-N 2.96Å; R125-E127 VanDerWaalsContact C-N 3.33Å; E127-E129 VanDerWaalsContact C-N 3.29Å; E127-E129 PolarHBondContact O-N 3.23Å; E127-L130 PolarHBondContact O-N 3.21Å; E127-R131 HydrophobicContact CG-CG 4.4Å; E127-R131 VanDerWaalsContact O-CB 3.31Å; E127-R131 WeakPolarHBondContact O-CB 3.46Å; E127-R131 VanDerWaalsContact O-CG 3.24Å; E127-R131 WeakPolarHBondContact O-CG 3.2Å; E127-R131 PolarHBondContact O-N 3.43Å; E127-R131 IonicContact OE1-CZ 3.21Å; E127-R131 IonicContact OE1-NE 3.02Å; E127-R131 PolarHBondContact OE1-NE 3Å; E127-R131 IonicContact OE1-NH2 2.66Å; E127-R131 PolarHBondContact OE1-NH2 3.05Å; E127-R131 IonicContact OE2-CZ 3.73Å; E127-R131 IonicContact OE2-NE 3.88Å; E127-R131 IonicContact OE2-NH2 3.26Å; E127-R131 PolarHBondContact OE2-NH2 3.3Å |
| 128 | A | 74.3 | Confident | 72.2 | Confident | 56 Ų | 56 | 109.1 Ų | 109.1 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -39 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V124 R125 Y132 | V124-A128 VanDerWaalsContact O-CB 3.26Å; V124-A128 WeakPolarHBondContact O-CB 3.39Å; V124-A128 PolarHBondContact O-N 3.22Å; R125-A128 PolarHBondContact O-N 3.41Å; A128-Y132 WeakPolarHBondContact O-CB 3.42Å; A128-Y132 PolarHBondContact O-N 3.43Å |
| 129 | E | 80.8 | Confident | 74.6 | Confident | 106 Ų | 106 | 107.4 Ų | 107.4 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.4 | -32.4 | 174.5 | -110.8 | -160.6 | -123.5 | 0 | 0 | 113.4 | R125 E126 E127 R133 | R125-E129 PolarHBondContact O-N 2.97Å; E126-E129 CarbonylContact O-C 3.5Å; E126-E129 WeakPolarHBondContact O-CB 3.47Å; E126-E129 PolarHBondContact O-N 3.35Å; E127-E129 VanDerWaalsContact C-N 3.29Å; E127-E129 PolarHBondContact O-N 3.23Å; E129-R133 WeakPolarHBondContact O-CG 3.26Å; E129-R133 PolarHBondContact O-N 2.76Å; E129-R133 VanDerWaalsContact O-N 3.16Å; E129-R133 PolarHBondContact O-NH1 3.25Å; E129-R133 IonicContact OE2-CZ 3.19Å; E129-R133 IonicContact OE2-NH1 2.71Å; E129-R133 PolarHBondContact OE2-NH1 3.17Å; E129-R133 IonicContact OE2-NH2 2.73Å; E129-R133 PolarHBondContact OE2-NH2 3.44Å |
| 130 | L | 82.6 | Confident | 76.6 | Confident | 103 Ų | 103 | 109.5 Ų | 109.5 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.6 | -46.9 | 172.9 | -76 | 165.7 | 0 | 0 | 0 | 111.4 | E126 E127 Y132 R133 Q134 | E126-L130 WeakPolarHBondContact O-CB 3.43Å; E126-L130 VanDerWaalsContact O-CG 3.32Å; E126-L130 WeakPolarHBondContact O-CG 3.22Å; E126-L130 PolarHBondContact O-N 3.44Å; E127-L130 PolarHBondContact O-N 3.21Å; L130-Y132 VanDerWaalsContact C-N 3.28Å; L130-Y132 PolarHBondContact O-N 3.47Å; L130-R133 PolarHBondContact O-N 2.94Å; L130-R133 VanDerWaalsContact O-N 3.14Å; L130-Q134 WeakPolarHBondContact O-CG 3.33Å; L130-Q134 PolarHBondContact O-N 3.48Å |
| 131 | R | 84.5 | Confident | 78.7 | Confident | 147 Ų | 147 | 106.1 Ų | 106.1 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.4 | -37.8 | 174.2 | -71.2 | 173.2 | -176.4 | -165.7 | 5.8 | 111.1 | E127 L135 | E127-R131 HydrophobicContact CG-CG 4.4Å; E127-R131 VanDerWaalsContact O-CB 3.31Å; E127-R131 WeakPolarHBondContact O-CB 3.46Å; E127-R131 VanDerWaalsContact O-CG 3.24Å; E127-R131 WeakPolarHBondContact O-CG 3.2Å; E127-R131 PolarHBondContact O-N 3.43Å; E127-R131 IonicContact OE1-CZ 3.21Å; E127-R131 IonicContact OE1-NE 3.02Å; E127-R131 PolarHBondContact OE1-NE 3Å; E127-R131 IonicContact OE1-NH2 2.66Å; E127-R131 PolarHBondContact OE1-NH2 3.05Å; E127-R131 IonicContact OE2-CZ 3.73Å; E127-R131 IonicContact OE2-NE 3.88Å; E127-R131 IonicContact OE2-NH2 3.26Å; E127-R131 PolarHBondContact OE2-NH2 3.3Å; R131-L135 WeakPolarHBondContact O-CB 3.29Å; R131-L135 PolarHBondContact O-N 3.27Å |
| 132 | Y | 87.5 | Confident | 80.6 | Confident | 164 Ų | 164 | 102.4 Ų | 102.4 | 64% | 0.643 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.8 | -41.7 | 173.7 | -177.3 | -101 | 0 | 0 | 0 | 112.8 | A128 L130 T136 | A128-Y132 WeakPolarHBondContact O-CB 3.42Å; A128-Y132 PolarHBondContact O-N 3.43Å; L130-Y132 VanDerWaalsContact C-N 3.28Å; L130-Y132 PolarHBondContact O-N 3.47Å; Y132-T136 WeakPolarHBondContact O-CB 3.09Å; Y132-T136 PolarHBondContact O-N 3.45Å; Y132-T136 PolarHBondContact O-OG1 3.3Å |
| 133 | R | 89.7 | Confident | 82.4 | Confident | 132 Ų | 132 | 103.7 Ų | 103.7 | 50% | 0.498 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 174.2 | -75.4 | 179.3 | -175.6 | 83.8 | -4.8 | 111.8 | E129 L130 T136 Q137 | E129-R133 WeakPolarHBondContact O-CG 3.26Å; E129-R133 PolarHBondContact O-N 2.76Å; E129-R133 VanDerWaalsContact O-N 3.16Å; E129-R133 PolarHBondContact O-NH1 3.25Å; E129-R133 IonicContact OE2-CZ 3.19Å; E129-R133 IonicContact OE2-NH1 2.71Å; E129-R133 PolarHBondContact OE2-NH1 3.17Å; E129-R133 IonicContact OE2-NH2 2.73Å; E129-R133 PolarHBondContact OE2-NH2 3.44Å; L130-R133 PolarHBondContact O-N 2.94Å; L130-R133 VanDerWaalsContact O-N 3.14Å; R133-T136 PolarHBondContact O-N 3.02Å; R133-Q137 WeakPolarHBondContact O-CG 3.47Å; R133-Q137 PolarHBondContact O-N 3.05Å |
| 134 | Q | 88.2 | Confident | 84.1 | Confident | 119 Ų | 119 | 107.9 Ų | 107.9 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61 | -51 | 174.3 | -75.9 | 176.8 | -29 | 0 | 0 | 111.4 | L130 T136 Q137 E138 | L130-Q134 WeakPolarHBondContact O-CG 3.33Å; L130-Q134 PolarHBondContact O-N 3.48Å; Q134-T136 PolarHBondContact O-N 3.15Å; Q134-Q137 CarbonylContact O-C 3.59Å; Q134-Q137 WeakPolarHBondContact O-CA 3.5Å; Q134-Q137 WeakPolarHBondContact O-CB 3.28Å; Q134-Q137 PolarHBondContact O-N 3.36Å; Q134-E138 WeakPolarHBondContact O-CG 3.44Å; Q134-E138 PolarHBondContact O-N 3.24Å |
| 135 | L | 91 | Very high | 85.6 | Confident | 118 Ų | 118 | 106.7 Ų | 106.7 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.1 | -34.6 | 177.5 | -176.6 | 63 | 0 | 0 | 0 | 112.2 | R131 Y139 | R131-L135 WeakPolarHBondContact O-CB 3.29Å; R131-L135 PolarHBondContact O-N 3.27Å; L135-Y139 WeakPolarHBondContact O-CB 3.45Å; L135-Y139 PolarHBondContact O-N 3Å |
| 136 | T | 90.3 | Very high | 86.6 | Confident | 47 Ų | 47 | 107 Ų | 107 | 29% | 0.288 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.1 | -40.5 | 174.1 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | Y132 R133 Q134 Q140 | Y132-T136 WeakPolarHBondContact O-CB 3.09Å; Y132-T136 PolarHBondContact O-N 3.45Å; Y132-T136 PolarHBondContact O-OG1 3.3Å; R133-T136 PolarHBondContact O-N 3.02Å; Q134-T136 PolarHBondContact O-N 3.15Å; T136-Q140 WeakPolarHBondContact O-CB 3.26Å; T136-Q140 VanDerWaalsContact O-CG 3.31Å; T136-Q140 WeakPolarHBondContact O-CG 3.38Å; T136-Q140 PolarHBondContact O-N 2.66Å |
| 137 | Q | 92.8 | Very high | 87.4 | Confident | 125 Ų | 125 | 103.4 Ų | 103.4 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.2 | -43.2 | 174.6 | -75.8 | -178.7 | -21.6 | 0 | 0 | 112.1 | R133 Q134 Q140 A141 | R133-Q137 WeakPolarHBondContact O-CG 3.47Å; R133-Q137 PolarHBondContact O-N 3.05Å; Q134-Q137 CarbonylContact O-C 3.59Å; Q134-Q137 WeakPolarHBondContact O-CA 3.5Å; Q134-Q137 WeakPolarHBondContact O-CB 3.28Å; Q134-Q137 PolarHBondContact O-N 3.36Å; Q137-Q140 CarbonylContact O-C 3.59Å; Q137-Q140 PolarHBondContact O-N 3.38Å; Q137-A141 WeakPolarHBondContact O-CB 3.36Å; Q137-A141 PolarHBondContact O-N 3.27Å |
| 138 | E | 90.8 | Very high | 88 | Confident | 128 Ų | 128 | 105.7 Ų | 105.7 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 174.5 | -71.8 | -55.1 | 143.2 | 0 | 0 | 111.4 | Q134 Q140 A141 L142 | Q134-E138 WeakPolarHBondContact O-CG 3.44Å; Q134-E138 PolarHBondContact O-N 3.24Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 2.93Å; E138-A141 PolarHBondContact O-N 3.05Å; E138-A141 VanDerWaalsContact O-N 3.15Å; E138-L142 VanDerWaalsContact O-CB 3.25Å; E138-L142 WeakPolarHBondContact O-CB 3.45Å; E138-L142 PolarHBondContact O-N 3.48Å |
| 139 | Y | 93.6 | Very high | 88.2 | Confident | 138 Ų | 138 | 107.7 Ų | 107.7 | 54% | 0.541 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 173.6 | -177 | -105.6 | 0 | 0 | 0 | 111.9 | L135 L142 Q143 | L135-Y139 WeakPolarHBondContact O-CB 3.45Å; L135-Y139 PolarHBondContact O-N 3Å; Y139-L142 PolarHBondContact O-N 3.2Å; Y139-Q143 HydrophobicContact CD1-CG 4.46Å; Y139-Q143 VanDerWaalsContact CE1-CD 3.46Å; Y139-Q143 HydrophobicContact CE1-CG 4.14Å; Y139-Q143 WeakPolarHBondContact O-CB 3.35Å; Y139-Q143 WeakPolarHBondContact O-CG 3.29Å; Y139-Q143 PolarHBondContact O-N 2.9Å; Y139-Q143 PolarHBondContact OH-NE2 3.45Å; Y139-Q143 VanDerWaalsContact OH-NE2 3.17Å |
| 140 | Q | 95.1 | Very high | 87.8 | Confident | 99 Ų | 99 | 105.6 Ų | 105.6 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.1 | -30.3 | 174.1 | -72.5 | 177 | 5.7 | 0 | 0 | 113.2 | T136 Q137 E138 R144 | T136-Q140 WeakPolarHBondContact O-CB 3.26Å; T136-Q140 VanDerWaalsContact O-CG 3.31Å; T136-Q140 WeakPolarHBondContact O-CG 3.38Å; T136-Q140 PolarHBondContact O-N 2.66Å; Q137-Q140 CarbonylContact O-C 3.59Å; Q137-Q140 PolarHBondContact O-N 3.38Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 2.93Å; Q140-R144 WeakPolarHBondContact O-CB 3.41Å; Q140-R144 WeakPolarHBondContact O-CG 3.44Å; Q140-R144 PolarHBondContact O-N 2.95Å; Q140-R144 VanDerWaalsContact O-N 3.14Å; Q140-R144 PolarHBondContact O-NE 2.98Å |
| 141 | A | 92.2 | Very high | 87.3 | Confident | 35 Ų | 35 | 107.7 Ų | 107.7 | 29% | 0.289 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.9 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q137 E138 R144 A145 | Q137-A141 WeakPolarHBondContact O-CB 3.36Å; Q137-A141 PolarHBondContact O-N 3.27Å; E138-A141 PolarHBondContact O-N 3.05Å; E138-A141 VanDerWaalsContact O-N 3.15Å; A141-R144 CarbonylContact O-C 3.59Å; A141-R144 PolarHBondContact O-N 3.46Å; A141-A145 WeakPolarHBondContact O-CB 3.41Å; A141-A145 PolarHBondContact O-N 2.92Å |
| 142 | L | 92.4 | Very high | 86.5 | Confident | 95 Ų | 95 | 105.9 Ų | 105.9 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 175.2 | -173.9 | 61.4 | 0 | 0 | 0 | 111.7 | E138 Y139 R144 A145 Y146 | E138-L142 VanDerWaalsContact O-CB 3.25Å; E138-L142 WeakPolarHBondContact O-CB 3.45Å; E138-L142 PolarHBondContact O-N 3.48Å; Y139-L142 PolarHBondContact O-N 3.2Å; L142-R144 VanDerWaalsContact C-N 3.35Å; L142-R144 PolarHBondContact O-N 2.87Å; L142-A145 PolarHBondContact O-N 2.99Å; L142-Y146 HydrophobicContact CD1-CD2 3.9Å; L142-Y146 HydrophobicContact CD1-CE2 3.73Å; L142-Y146 HydrophobicContact CD2-CE2 4.48Å; L142-Y146 HydrophobicContact CG-CD2 3.92Å; L142-Y146 HydrophobicContact CG-CE2 3.95Å; L142-Y146 WeakPolarHBondContact O-CB 3.46Å; L142-Y146 WeakPolarHBondContact O-CD2 3.33Å; L142-Y146 PolarHBondContact O-N 3.26Å |
| 143 | Q | 91.8 | Very high | 85.1 | Confident | 100 Ų | 100 | 101.4 Ų | 101.4 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 171.5 | -79.7 | -174.3 | -28.9 | 0 | 0 | 112.1 | Y139 A147 | Y139-Q143 HydrophobicContact CD1-CG 4.46Å; Y139-Q143 VanDerWaalsContact CE1-CD 3.46Å; Y139-Q143 HydrophobicContact CE1-CG 4.14Å; Y139-Q143 WeakPolarHBondContact O-CB 3.35Å; Y139-Q143 WeakPolarHBondContact O-CG 3.29Å; Y139-Q143 PolarHBondContact O-N 2.9Å; Y139-Q143 PolarHBondContact OH-NE2 3.45Å; Y139-Q143 VanDerWaalsContact OH-NE2 3.17Å; Q143-A147 WeakPolarHBondContact O-CB 3.47Å; Q143-A147 PolarHBondContact O-N 2.9Å |
| 144 | R | 90.9 | Very high | 83.3 | Confident | 149 Ų | 149 | 97.7 Ų | 97.7 | 56% | 0.562 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.4 | -38.3 | 174.5 | -77.2 | 173.8 | -71.5 | 149.1 | -2.2 | 112.4 | Q140 A141 L142 A147 L148 | Q140-R144 WeakPolarHBondContact O-CB 3.41Å; Q140-R144 WeakPolarHBondContact O-CG 3.44Å; Q140-R144 PolarHBondContact O-N 2.95Å; Q140-R144 VanDerWaalsContact O-N 3.14Å; Q140-R144 PolarHBondContact O-NE 2.98Å; A141-R144 CarbonylContact O-C 3.59Å; A141-R144 PolarHBondContact O-N 3.46Å; L142-R144 VanDerWaalsContact C-N 3.35Å; L142-R144 PolarHBondContact O-N 2.87Å; R144-A147 PolarHBondContact O-N 3.49Å; R144-L148 WeakPolarHBondContact O-CB 3.48Å; R144-L148 VanDerWaalsContact O-CG 3.3Å; R144-L148 WeakPolarHBondContact O-CG 3.46Å; R144-L148 PolarHBondContact O-N 2.78Å |
| 145 | A | 87.4 | Confident | 82 | Confident | 44 Ų | 44 | 95.1 Ų | 95.1 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A141 L142 L148 L149 | A141-A145 WeakPolarHBondContact O-CB 3.41Å; A141-A145 PolarHBondContact O-N 2.92Å; L142-A145 PolarHBondContact O-N 2.99Å; A145-L148 PolarHBondContact O-N 2.9Å; A145-L149 WeakPolarHBondContact O-CB 3.49Å; A145-L149 WeakPolarHBondContact O-CG 3.42Å; A145-L149 PolarHBondContact O-N 2.83Å |
| 146 | Y | 84 | Confident | 80.3 | Confident | 158 Ų | 158 | 95.5 Ų | 95.5 | 62% | 0.62 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65 | -36.8 | 171.9 | -90.6 | -69.3 | 0 | 0 | 0 | 112.5 | L142 A150 | L142-Y146 HydrophobicContact CD1-CD2 3.9Å; L142-Y146 HydrophobicContact CD1-CE2 3.73Å; L142-Y146 HydrophobicContact CD2-CE2 4.48Å; L142-Y146 HydrophobicContact CG-CD2 3.92Å; L142-Y146 HydrophobicContact CG-CE2 3.95Å; L142-Y146 WeakPolarHBondContact O-CB 3.46Å; L142-Y146 WeakPolarHBondContact O-CD2 3.33Å; L142-Y146 PolarHBondContact O-N 3.26Å; Y146-A150 WeakPolarHBondContact O-CB 3.05Å; Y146-A150 PolarHBondContact O-N 3.34Å |
| 147 | A | 85.2 | Confident | 78.8 | Confident | 51 Ų | 51 | 101.7 Ų | 101.7 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q143 R144 L149 A150 E151 | Q143-A147 WeakPolarHBondContact O-CB 3.47Å; Q143-A147 PolarHBondContact O-N 2.9Å; R144-A147 PolarHBondContact O-N 3.49Å; A147-L149 PolarHBondContact O-N 3.11Å; A147-A150 CarbonylContact O-C 3.5Å; A147-A150 WeakPolarHBondContact O-CA 3.3Å; A147-A150 WeakPolarHBondContact O-CB 3.47Å; A147-A150 PolarHBondContact O-N 2.96Å; A147-A150 VanDerWaalsContact O-N 3.11Å; A147-E151 WeakPolarHBondContact O-CG 3.45Å; A147-E151 PolarHBondContact O-N 2.98Å |
| 148 | L | 83.5 | Confident | 77.6 | Confident | 105 Ų | 105 | 98.2 Ų | 98.2 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.8 | -35.8 | 177.1 | -71 | 168.1 | 0 | 0 | 0 | 112.5 | R144 A145 E151 T152 | R144-L148 WeakPolarHBondContact O-CB 3.48Å; R144-L148 VanDerWaalsContact O-CG 3.3Å; R144-L148 WeakPolarHBondContact O-CG 3.46Å; R144-L148 PolarHBondContact O-N 2.78Å; A145-L148 PolarHBondContact O-N 2.9Å; L148-E151 PolarHBondContact O-N 3.13Å; L148-T152 WeakPolarHBondContact O-CB 3.31Å; L148-T152 WeakPolarHBondContact O-CG2 3.17Å; L148-T152 PolarHBondContact O-N 3.43Å; L148-T152 PolarHBondContact O-OG1 3.48Å |
| 149 | L | 78.3 | Confident | 76.8 | Confident | 98 Ų | 98 | 94.7 Ų | 94.7 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.1 | -34.9 | 170.9 | -76.4 | 168.3 | 0 | 0 | 0 | 111.7 | A145 A147 T152 C153 | A145-L149 WeakPolarHBondContact O-CB 3.49Å; A145-L149 WeakPolarHBondContact O-CG 3.42Å; A145-L149 PolarHBondContact O-N 2.83Å; A147-L149 PolarHBondContact O-N 3.11Å; L149-T152 WeakPolarHBondContact CA-OG1 3.26Å; L149-C153 WeakPolarHBondContact O-CB 3.42Å; L149-C153 PolarHBondContact O-N 2.62Å |
| 150 | A | 71.7 | Confident | 76.1 | Confident | 63 Ų | 63 | 94.1 Ų | 94.1 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71 | -29.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y146 A147 G154 | Y146-A150 WeakPolarHBondContact O-CB 3.05Å; Y146-A150 PolarHBondContact O-N 3.34Å; A147-A150 CarbonylContact O-C 3.5Å; A147-A150 WeakPolarHBondContact O-CA 3.3Å; A147-A150 WeakPolarHBondContact O-CB 3.47Å; A147-A150 PolarHBondContact O-N 2.96Å; A147-A150 VanDerWaalsContact O-N 3.11Å; A150-G154 WeakPolarHBondContact O-CA 3.4Å; A150-G154 PolarHBondContact O-N 2.85Å |
| 151 | E | 73.4 | Confident | 75.6 | Confident | 147 Ų | 147 | 95 Ų | 95 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -77.5 | -40.2 | 173.3 | -72.8 | -179.8 | 145.5 | 0 | 0 | 112.1 | A147 L148 | A147-E151 WeakPolarHBondContact O-CG 3.45Å; A147-E151 PolarHBondContact O-N 2.98Å; L148-E151 PolarHBondContact O-N 3.13Å |
| 152 | T | 66.4 | Low | 75.1 | Confident | 109 Ų | 109 | 98.5 Ų | 98.5 | 67% | 0.669 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -78 | -36 | -179.9 | 50.3 | 0 | 0 | 0 | 0 | 113.7 | L148 L149 | L148-T152 WeakPolarHBondContact O-CB 3.31Å; L148-T152 WeakPolarHBondContact O-CG2 3.17Å; L148-T152 PolarHBondContact O-N 3.43Å; L148-T152 PolarHBondContact O-OG1 3.48Å; L149-T152 WeakPolarHBondContact CA-OG1 3.26Å |
| 153 | C | 59.1 | Low | 75 | Confident | 70 Ų | 70 | 98.6 Ų | 98.6 | 47% | 0.473 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -93.1 | -17.2 | 174.2 | -59.2 | 0 | 0 | 0 | 0 | 113.4 | L149 G155 | L149-C153 WeakPolarHBondContact O-CB 3.42Å; L149-C153 PolarHBondContact O-N 2.62Å; C153-G155 VanDerWaalsContact C-N 3.28Å; C153-G155 PolarHBondContact O-N 2.82Å |
| 154 | G | 52.2 | Low | 74.9 | Confident | 53 Ų | 53 | 98.2 Ų | 98.2 | 55% | 0.546 | 53% | 0.533 | S | S | . | . | trans | -85.3 | 10.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | A150 N156 | A150-G154 WeakPolarHBondContact O-CA 3.4Å; A150-G154 PolarHBondContact O-N 2.85Å; G154-N156 PolarHBondContact O-N 2.75Å | ||
| 155 | G | 59.2 | Low | 74.9 | Confident | 66 Ų | 66 | 93.9 Ų | 93.9 | 68% | 0.68 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -67 | 56.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C153 | C153-G155 VanDerWaalsContact C-N 3.28Å; C153-G155 PolarHBondContact O-N 2.82Å |
| 156 | N | 55.4 | Low | 74.9 | Confident | 126 Ų | 126 | 100.2 Ų | 100.2 | 67% | 0.674 | 54% | 0.538 | S | S | * | . | trans | 46.6 | 74.1 | -176.3 | -168.1 | 18.3 | 0 | 0 | 0 | 112.9 | G154 D158 | G154-N156 PolarHBondContact O-N 2.75Å; N156-D158 PolarHBondContact O-N 3.48Å | ||
| 157 | Y | 58.5 | Low | 75.4 | Confident | 176 Ų | 176 | 97.7 Ų | 97.7 | 69% | 0.69 | 53% | 0.532 | S | S | * | . | trans | -66.7 | 69.4 | -179.8 | -154.9 | -81 | 0 | 0 | 0 | 111.9 | A159 | Y157-A159 PolarHBondContact O-N 2.91Š| ||
| 158 | D | 68.4 | Low | 75.8 | Confident | 52 Ų | 52 | 101 Ų | 101 | 28% | 0.278 | 54% | 0.539 | S | S | . | . | trans | -75 | 92.5 | 178.9 | -176 | -24.7 | 0 | 0 | 0 | 108.5 | N156 E160 K161 E162 | N156-D158 PolarHBondContact O-N 3.48Å; D158-E160 PolarHBondContact O-N 3.19Å; D158-E160 VanDerWaalsContact O-N 3.12Å; D158-E160 WeakPolarHBondContact OD1-CA 3.23Å; D158-E160 VanDerWaalsContact OD1-CB 3.29Å; D158-E160 WeakPolarHBondContact OD1-CB 3.49Å; D158-E160 PolarHBondContact OD1-N 3.31Å; D158-K161 HydrophobicContact CB-CB 4.09Å; D158-K161 HydrophobicContact CB-CD 4.2Å; D158-K161 HydrophobicContact CB-CG 4.1Å; D158-K161 WeakPolarHBondContact O-CA 3.38Å; D158-K161 WeakPolarHBondContact O-CB 3.5Å; D158-K161 PolarHBondContact O-N 3.36Å; D158-K161 PolarHBondContact OD1-N 2.97Å; D158-K161 WeakPolarHBondContact OD2-CG 3.45Å; D158-K161 IonicContact OD2-NZ 2.62Å; D158-K161 PolarHBondContact OD2-NZ 2.92Å; D158-E162 PolarHBondContact O-N 3.37Å | ||
| 159 | A | 74.6 | Confident | 76.3 | Confident | 54 Ų | 54 | 100.4 Ų | 100.4 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57 | -25.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y157 I163 | Y157-A159 PolarHBondContact O-N 2.91Å; A159-I163 VanDerWaalsContact O-CB 3.3Å; A159-I163 WeakPolarHBondContact O-CB 3.35Å; A159-I163 WeakPolarHBondContact O-CD1 3.45Å; A159-I163 WeakPolarHBondContact O-CG1 3.28Å; A159-I163 PolarHBondContact O-N 2.66Å |
| 160 | E | 78.1 | Confident | 77.1 | Confident | 126 Ų | 126 | 100.4 Ų | 100.4 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.3 | -33.7 | 176.3 | -150.7 | -167.3 | 128.1 | 0 | 0 | 111.6 | D158 K164 | D158-E160 PolarHBondContact O-N 3.19Å; D158-E160 VanDerWaalsContact O-N 3.12Å; D158-E160 WeakPolarHBondContact OD1-CA 3.23Å; D158-E160 VanDerWaalsContact OD1-CB 3.29Å; D158-E160 WeakPolarHBondContact OD1-CB 3.49Å; D158-E160 PolarHBondContact OD1-N 3.31Å; E160-K164 VanDerWaalsContact O-CD 3.22Å; E160-K164 WeakPolarHBondContact O-CD 3.45Å; E160-K164 WeakPolarHBondContact O-CE 3.35Å; E160-K164 WeakPolarHBondContact O-CG 3.21Å; E160-K164 PolarHBondContact O-N 3.06Å; E160-K164 WeakPolarHBondContact OE1-CE 3.35Å; E160-K164 IonicContact OE1-NZ 2.61Å; E160-K164 PolarHBondContact OE1-NZ 2.72Å |
| 161 | K | 84.4 | Confident | 78.2 | Confident | 118 Ų | 118 | 102.1 Ų | 102.1 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -46.9 | 166.7 | -74.1 | -173.7 | -169.2 | 81.6 | 0 | 111.6 | D158 I163 K164 T165 | D158-K161 HydrophobicContact CB-CB 4.09Å; D158-K161 HydrophobicContact CB-CD 4.2Å; D158-K161 HydrophobicContact CB-CG 4.1Å; D158-K161 WeakPolarHBondContact O-CA 3.38Å; D158-K161 WeakPolarHBondContact O-CB 3.5Å; D158-K161 PolarHBondContact O-N 3.36Å; D158-K161 PolarHBondContact OD1-N 2.97Å; D158-K161 WeakPolarHBondContact OD2-CG 3.45Å; D158-K161 IonicContact OD2-NZ 2.62Å; D158-K161 PolarHBondContact OD2-NZ 2.92Å; K161-I163 VanDerWaalsContact C-N 3.33Å; K161-I163 PolarHBondContact O-N 3.31Å; K161-K164 CarbonylContact O-C 3.57Å; K161-K164 WeakPolarHBondContact O-CA 3.47Å; K161-K164 WeakPolarHBondContact O-CB 3.47Å; K161-K164 PolarHBondContact O-N 2.99Å; K161-T165 PolarHBondContact O-N 2.65Å; K161-T165 PolarHBondContact O-OG1 3.29Å; K161-T165 VanDerWaalsContact O-OG1 3.07Å |
| 162 | E | 82.8 | Confident | 79.2 | Confident | 109 Ų | 109 | 99.4 Ų | 99.4 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | -175.8 | -171.4 | 59.3 | -166.2 | 0 | 0 | 112.1 | D158 T165 R166 | D158-E162 PolarHBondContact O-N 3.37Å; E162-T165 PolarHBondContact O-N 3.34Å; E162-R166 WeakPolarHBondContact O-CB 3.45Å; E162-R166 PolarHBondContact O-N 3.36Å |
| 163 | I | 89.4 | Confident | 80.5 | Confident | 96 Ų | 96 | 98.5 Ų | 98.5 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 169 | -72.2 | 165.8 | 0 | 0 | 0 | 110.7 | A159 K161 R166 E167 | A159-I163 VanDerWaalsContact O-CB 3.3Å; A159-I163 WeakPolarHBondContact O-CB 3.35Å; A159-I163 WeakPolarHBondContact O-CD1 3.45Å; A159-I163 WeakPolarHBondContact O-CG1 3.28Å; A159-I163 PolarHBondContact O-N 2.66Å; K161-I163 VanDerWaalsContact C-N 3.33Å; K161-I163 PolarHBondContact O-N 3.31Å; I163-R166 PolarHBondContact O-N 3.32Å; I163-E167 HydrophobicContact CG2-CG 4.3Å; I163-E167 WeakPolarHBondContact O-CB 3.38Å; I163-E167 WeakPolarHBondContact O-CG 3.47Å; I163-E167 PolarHBondContact O-N 2.89Å |
| 164 | K | 90.8 | Very high | 82.2 | Confident | 92 Ų | 92 | 98 Ų | 98 | 40% | 0.4 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 177.6 | -72.3 | 163.8 | -167 | 165 | 0 | 113 | E160 K161 R166 E167 Q168 | E160-K164 VanDerWaalsContact O-CD 3.22Å; E160-K164 WeakPolarHBondContact O-CD 3.45Å; E160-K164 WeakPolarHBondContact O-CE 3.35Å; E160-K164 WeakPolarHBondContact O-CG 3.21Å; E160-K164 PolarHBondContact O-N 3.06Å; E160-K164 WeakPolarHBondContact OE1-CE 3.35Å; E160-K164 IonicContact OE1-NZ 2.61Å; E160-K164 PolarHBondContact OE1-NZ 2.72Å; K161-K164 CarbonylContact O-C 3.57Å; K161-K164 WeakPolarHBondContact O-CA 3.47Å; K161-K164 WeakPolarHBondContact O-CB 3.47Å; K161-K164 PolarHBondContact O-N 2.99Å; K164-R166 VanDerWaalsContact C-N 3.34Å; K164-E167 PolarHBondContact O-N 3.15Å; K164-Q168 WeakPolarHBondContact O-CB 3.3Å; K164-Q168 WeakPolarHBondContact O-CG 2.76Å; K164-Q168 PolarHBondContact O-N 3.12Å |
| 165 | T | 89.1 | Confident | 84.3 | Confident | 59 Ų | 59 | 104.2 Ų | 104.2 | 36% | 0.362 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 173.2 | -51.3 | 0 | 0 | 0 | 0 | 110.3 | K161 E162 Q168 L169 | K161-T165 PolarHBondContact O-N 2.65Å; K161-T165 PolarHBondContact O-OG1 3.29Å; K161-T165 VanDerWaalsContact O-OG1 3.07Å; E162-T165 PolarHBondContact O-N 3.34Å; T165-Q168 PolarHBondContact O-N 3.42Å; T165-L169 HydrophobicContact CG2-CD1 4.27Å; T165-L169 WeakPolarHBondContact O-CG 3.27Å; T165-L169 PolarHBondContact O-N 2.91Å |
| 166 | R | 89.3 | Confident | 85.9 | Confident | 177 Ų | 177 | 108.8 Ų | 108.8 | 67% | 0.668 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -41 | 177 | -175.3 | 175.6 | -179 | 142.1 | 1.2 | 112.7 | E162 I163 K164 L169 L170 | E162-R166 WeakPolarHBondContact O-CB 3.45Å; E162-R166 PolarHBondContact O-N 3.36Å; I163-R166 PolarHBondContact O-N 3.32Å; K164-R166 VanDerWaalsContact C-N 3.34Å; R166-L169 PolarHBondContact O-N 3.32Å; R166-L170 HydrophobicContact CG-CD1 4.26Å; R166-L170 WeakPolarHBondContact O-CB 3.26Å; R166-L170 VanDerWaalsContact O-CG 3.26Å; R166-L170 WeakPolarHBondContact O-CG 3.49Å; R166-L170 PolarHBondContact O-N 3.18Å |
| 167 | E | 93.2 | Very high | 87.8 | Confident | 104 Ų | 104 | 108.9 Ų | 108.9 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 173.9 | -75.6 | 175.2 | 170 | 0 | 0 | 111.5 | I163 K164 L170 N171 | I163-E167 HydrophobicContact CG2-CG 4.3Å; I163-E167 WeakPolarHBondContact O-CB 3.38Å; I163-E167 WeakPolarHBondContact O-CG 3.47Å; I163-E167 PolarHBondContact O-N 2.89Å; K164-E167 PolarHBondContact O-N 3.15Å; E167-L170 PolarHBondContact O-N 3.43Å; E167-N171 WeakPolarHBondContact O-CB 3.49Å; E167-N171 PolarHBondContact O-N 2.7Å; E167-N171 PolarHBondContact O-ND2 3.09Å |
| 168 | Q | 94 | Very high | 89.5 | Confident | 121 Ų | 121 | 103.9 Ų | 103.9 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -49.3 | 174.6 | -74.9 | 166 | 7.1 | 0 | 0 | 111.1 | K164 T165 L170 N171 E172 | K164-Q168 WeakPolarHBondContact O-CB 3.3Å; K164-Q168 WeakPolarHBondContact O-CG 2.76Å; K164-Q168 PolarHBondContact O-N 3.12Å; T165-Q168 PolarHBondContact O-N 3.42Å; Q168-L170 VanDerWaalsContact C-N 3.35Å; Q168-L170 PolarHBondContact O-N 3.41Å; Q168-N171 WeakPolarHBondContact O-CB 3.41Å; Q168-N171 PolarHBondContact O-N 3.39Å; Q168-N171 VanDerWaalsContact O-N 3.15Å; Q168-E172 WeakPolarHBondContact O-CG 3.4Å; Q168-E172 PolarHBondContact O-N 2.89Å |
| 169 | L | 94.3 | Very high | 90.7 | Very high | 92 Ų | 92 | 108 Ų | 108 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 176.7 | -69.7 | 170.1 | 0 | 0 | 0 | 112.6 | T165 R166 E172 I173 | T165-L169 HydrophobicContact CG2-CD1 4.27Å; T165-L169 WeakPolarHBondContact O-CG 3.27Å; T165-L169 PolarHBondContact O-N 2.91Å; R166-L169 PolarHBondContact O-N 3.32Å; L169-E172 PolarHBondContact O-N 3.38Å; L169-I173 WeakPolarHBondContact O-CB 3.24Å; L169-I173 WeakPolarHBondContact O-CD1 3.48Å; L169-I173 WeakPolarHBondContact O-CG1 3.49Å; L169-I173 PolarHBondContact O-N 3.42Å |
| 170 | L | 94.6 | Very high | 91.5 | Very high | 99 Ų | 99 | 108.9 Ų | 108.9 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 174.2 | -74.4 | 168.9 | 0 | 0 | 0 | 112.3 | R166 E167 Q168 S174 | R166-L170 HydrophobicContact CG-CD1 4.26Å; R166-L170 WeakPolarHBondContact O-CB 3.26Å; R166-L170 VanDerWaalsContact O-CG 3.26Å; R166-L170 WeakPolarHBondContact O-CG 3.49Å; R166-L170 PolarHBondContact O-N 3.18Å; E167-L170 PolarHBondContact O-N 3.43Å; Q168-L170 VanDerWaalsContact C-N 3.35Å; Q168-L170 PolarHBondContact O-N 3.41Å; L170-S174 WeakPolarHBondContact O-CB 3.48Å; L170-S174 PolarHBondContact O-N 3Å |
| 171 | N | 94.8 | Very high | 92.2 | Very high | 98 Ų | 98 | 105.5 Ų | 105.5 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.1 | -36.8 | 174.2 | -79.5 | -71 | 0 | 0 | 0 | 112.1 | E167 Q168 R175 | E167-N171 WeakPolarHBondContact O-CB 3.49Å; E167-N171 PolarHBondContact O-N 2.7Å; E167-N171 PolarHBondContact O-ND2 3.09Å; Q168-N171 WeakPolarHBondContact O-CB 3.41Å; Q168-N171 PolarHBondContact O-N 3.39Å; Q168-N171 VanDerWaalsContact O-N 3.15Å; N171-R175 VanDerWaalsContact O-CG 3.29Å; N171-R175 WeakPolarHBondContact O-CG 3.39Å; N171-R175 PolarHBondContact O-N 3.01Å |
| 172 | E | 95.7 | Very high | 92.6 | Very high | 91 Ų | 91 | 104.3 Ų | 104.3 | 43% | 0.425 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.9 | -46.6 | 174.4 | -73.9 | 178.6 | -177.6 | 0 | 0 | 111.7 | Q168 L169 S174 R175 Y176 | Q168-E172 WeakPolarHBondContact O-CG 3.4Å; Q168-E172 PolarHBondContact O-N 2.89Å; L169-E172 PolarHBondContact O-N 3.38Å; E172-S174 VanDerWaalsContact C-N 3.29Å; E172-S174 PolarHBondContact O-N 2.91Å; E172-R175 WeakPolarHBondContact O-CB 3.38Å; E172-R175 PolarHBondContact O-N 3.32Å; E172-R175 VanDerWaalsContact O-N 3.12Å; E172-Y176 HydrophobicContact CB-CD2 4.47Å; E172-Y176 HydrophobicContact CB-CE2 4.3Å; E172-Y176 WeakPolarHBondContact O-CD2 3.35Å; E172-Y176 PolarHBondContact O-N 2.91Å |
| 173 | I | 92.4 | Very high | 92.9 | Very high | 89 Ų | 89 | 103.3 Ų | 103.3 | 46% | 0.456 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -54.9 | -46.1 | 173.1 | -71.9 | 163.7 | 0 | 0 | 0 | 110.6 | L169 R175 Y176 Q177 | L169-I173 WeakPolarHBondContact O-CB 3.24Å; L169-I173 WeakPolarHBondContact O-CD1 3.48Å; L169-I173 WeakPolarHBondContact O-CG1 3.49Å; L169-I173 PolarHBondContact O-N 3.42Å; I173-R175 PolarHBondContact O-N 3.08Å; I173-Y176 PolarHBondContact O-N 3.45Å; I173-Q177 HydrophobicContact CG2-CG 4.43Å; I173-Q177 WeakPolarHBondContact O-CB 3.23Å; I173-Q177 VanDerWaalsContact O-CG 3.28Å; I173-Q177 WeakPolarHBondContact O-CG 3.44Å; I173-Q177 PolarHBondContact O-N 3.16Å |
| 174 | S | 95.3 | Very high | 92.8 | Very high | 60 Ų | 60 | 104.9 Ų | 104.9 | 42% | 0.42 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.7 | 178.7 | 0 | 0 | 0 | 0 | 112.4 | L170 E172 Q177 S178 | L170-S174 WeakPolarHBondContact O-CB 3.48Å; L170-S174 PolarHBondContact O-N 3Å; E172-S174 VanDerWaalsContact C-N 3.29Å; E172-S174 PolarHBondContact O-N 2.91Å; S174-Q177 PolarHBondContact O-N 2.95Å; S174-S178 PolarHBondContact O-N 3.5Å; S174-S178 PolarHBondContact O-OG 3.24Å |
| 175 | R | 96.1 | Very high | 92.7 | Very high | 184 Ų | 184 | 103.3 Ų | 103.3 | 69% | 0.694 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 175.4 | -73.3 | 169.5 | -179.2 | -167.7 | 1.1 | 112.5 | N171 E172 I173 R179 | N171-R175 VanDerWaalsContact O-CG 3.29Å; N171-R175 WeakPolarHBondContact O-CG 3.39Å; N171-R175 PolarHBondContact O-N 3.01Å; E172-R175 WeakPolarHBondContact O-CB 3.38Å; E172-R175 PolarHBondContact O-N 3.32Å; E172-R175 VanDerWaalsContact O-N 3.12Å; I173-R175 PolarHBondContact O-N 3.08Å; R175-R179 WeakPolarHBondContact O-CB 3.47Å; R175-R179 PolarHBondContact O-N 3.43Å |
| 176 | Y | 93.8 | Very high | 92.6 | Very high | 162 Ų | 162 | 103.1 Ų | 103.1 | 64% | 0.635 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.3 | -38 | 176.2 | -72.1 | -60.4 | 0 | 0 | 0 | 111.8 | E172 I173 R179 V180 | E172-Y176 HydrophobicContact CB-CD2 4.47Å; E172-Y176 HydrophobicContact CB-CE2 4.3Å; E172-Y176 WeakPolarHBondContact O-CD2 3.35Å; E172-Y176 PolarHBondContact O-N 2.91Å; I173-Y176 PolarHBondContact O-N 3.45Å; Y176-R179 PolarHBondContact O-N 3.32Å; Y176-V180 WeakPolarHBondContact O-CG2 3.33Å; Y176-V180 PolarHBondContact O-N 2.86Å |
| 177 | Q | 93.6 | Very high | 92.2 | Very high | 128 Ų | 128 | 100.7 Ų | 100.7 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -47.4 | 173.7 | -75 | 169.9 | -15.8 | 0 | 0 | 112.2 | I173 S174 R179 V180 A181 | I173-Q177 HydrophobicContact CG2-CG 4.43Å; I173-Q177 WeakPolarHBondContact O-CB 3.23Å; I173-Q177 VanDerWaalsContact O-CG 3.28Å; I173-Q177 WeakPolarHBondContact O-CG 3.44Å; I173-Q177 PolarHBondContact O-N 3.16Å; S174-Q177 PolarHBondContact O-N 2.95Å; Q177-R179 VanDerWaalsContact C-N 3.31Å; Q177-R179 PolarHBondContact O-N 3.28Å; Q177-V180 PolarHBondContact O-N 3.41Å; Q177-A181 PolarHBondContact O-N 2.89Å; Q177-A181 VanDerWaalsContact O-N 3.09Å |
| 178 | S | 94.3 | Very high | 91.6 | Very high | 70 Ų | 70 | 103 Ų | 103 | 49% | 0.49 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | 172.6 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | S174 V180 A181 D182 | S174-S178 PolarHBondContact O-N 3.5Å; S174-S178 PolarHBondContact O-OG 3.24Å; S178-V180 VanDerWaalsContact C-N 3.33Å; S178-V180 PolarHBondContact O-N 2.87Å; S178-A181 PolarHBondContact O-N 2.93Å; S178-D182 PolarHBondContact O-N 3.17Å |
| 179 | R | 94.8 | Very high | 90.9 | Very high | 138 Ų | 138 | 103.1 Ų | 103.1 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -32.4 | -179.4 | -175.1 | 54.7 | -179.1 | 161.3 | 2.3 | 113.3 | R175 Y176 Q177 L183 | R175-R179 WeakPolarHBondContact O-CB 3.47Å; R175-R179 PolarHBondContact O-N 3.43Å; Y176-R179 PolarHBondContact O-N 3.32Å; Q177-R179 VanDerWaalsContact C-N 3.31Å; Q177-R179 PolarHBondContact O-N 3.28Å; R179-L183 HydrophobicContact CG-CD1 4.32Å; R179-L183 WeakPolarHBondContact O-CD1 3.5Å; R179-L183 VanDerWaalsContact O-CG 3.26Å; R179-L183 WeakPolarHBondContact O-CG 3.48Å; R179-L183 PolarHBondContact O-N 2.87Å |
| 180 | V | 91.5 | Very high | 90.4 | Very high | 74 Ų | 74 | 104.5 Ų | 104.5 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.8 | -48.7 | 172.2 | 167.9 | 0 | 0 | 0 | 0 | 110.1 | Y176 Q177 S178 D182 L183 E184 | Y176-V180 WeakPolarHBondContact O-CG2 3.33Å; Y176-V180 PolarHBondContact O-N 2.86Å; Q177-V180 PolarHBondContact O-N 3.41Å; S178-V180 VanDerWaalsContact C-N 3.33Å; S178-V180 PolarHBondContact O-N 2.87Å; V180-D182 VanDerWaalsContact C-N 3.33Å; V180-D182 PolarHBondContact O-N 2.73Å; V180-L183 PolarHBondContact O-N 2.97Å; V180-E184 HydrophobicContact CG1-CG 4.19Å; V180-E184 WeakPolarHBondContact CG1-OE1 3.25Å; V180-E184 WeakPolarHBondContact O-CG 3.45Å; V180-E184 PolarHBondContact O-N 3.35Å |
| 181 | A | 91.3 | Very high | 89.6 | Confident | 54 Ų | 54 | 101.5 Ų | 101.5 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q177 S178 L183 S185 | Q177-A181 PolarHBondContact O-N 2.89Å; Q177-A181 VanDerWaalsContact O-N 3.09Å; S178-A181 PolarHBondContact O-N 2.93Å; A181-L183 VanDerWaalsContact C-N 3.34Å; A181-L183 PolarHBondContact O-N 2.82Å; A181-S185 VanDerWaalsContact O-CB 3.29Å; A181-S185 WeakPolarHBondContact O-CB 3.28Å; A181-S185 PolarHBondContact O-N 2.89Å |
| 182 | D | 93.9 | Very high | 88.7 | Confident | 94 Ų | 94 | 101.9 Ų | 101.9 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 172.7 | -70.2 | -24.1 | 0 | 0 | 0 | 112 | S178 V180 A186 | S178-D182 PolarHBondContact O-N 3.17Å; V180-D182 VanDerWaalsContact C-N 3.33Å; V180-D182 PolarHBondContact O-N 2.73Å; D182-A186 WeakPolarHBondContact O-CB 3.2Å; D182-A186 PolarHBondContact O-N 2.66Å |
| 183 | L | 88.6 | Confident | 88 | Confident | 87 Ų | 87 | 102.4 Ų | 102.4 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.9 | -42.9 | -178.3 | -72.8 | 169.5 | 0 | 0 | 0 | 111.7 | R179 V180 A181 S185 A186 L187 | R179-L183 HydrophobicContact CG-CD1 4.32Å; R179-L183 WeakPolarHBondContact O-CD1 3.5Å; R179-L183 VanDerWaalsContact O-CG 3.26Å; R179-L183 WeakPolarHBondContact O-CG 3.48Å; R179-L183 PolarHBondContact O-N 2.87Å; V180-L183 PolarHBondContact O-N 2.97Å; A181-L183 VanDerWaalsContact C-N 3.34Å; A181-L183 PolarHBondContact O-N 2.82Å; L183-S185 VanDerWaalsContact C-N 3.31Å; L183-S185 PolarHBondContact O-N 3.32Å; L183-A186 PolarHBondContact O-N 2.87Å; L183-L187 WeakPolarHBondContact O-CB 3.36Å; L183-L187 PolarHBondContact O-N 3.08Å |
| 184 | E | 88.7 | Confident | 87.6 | Confident | 130 Ų | 130 | 103.7 Ų | 103.7 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.9 | -42.8 | 173 | -71.6 | 175.7 | 168.5 | 0 | 0 | 111.4 | V180 K188 | V180-E184 HydrophobicContact CG1-CG 4.19Å; V180-E184 WeakPolarHBondContact CG1-OE1 3.25Å; V180-E184 WeakPolarHBondContact O-CG 3.45Å; V180-E184 PolarHBondContact O-N 3.35Å; E184-K188 WeakPolarHBondContact O-CB 3.36Å; E184-K188 PolarHBondContact O-N 3.23Å |
| 185 | S | 88.7 | Confident | 87.3 | Confident | 59 Ų | 59 | 106.7 Ų | 106.7 | 41% | 0.413 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 174.5 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | A181 L183 L187 K188 H189 | A181-S185 VanDerWaalsContact O-CB 3.29Å; A181-S185 WeakPolarHBondContact O-CB 3.28Å; A181-S185 PolarHBondContact O-N 2.89Å; L183-S185 VanDerWaalsContact C-N 3.31Å; L183-S185 PolarHBondContact O-N 3.32Å; S185-L187 PolarHBondContact O-N 3.43Å; S185-K188 PolarHBondContact O-N 2.79Å; S185-H189 PolarHBondContact O-N 3.19Å; S185-H189 PolarHBondContact O-ND1 3.47Å |
| 186 | A | 86.4 | Confident | 86.9 | Confident | 55 Ų | 55 | 104.7 Ų | 104.7 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D182 L183 K188 H189 Q190 | D182-A186 WeakPolarHBondContact O-CB 3.2Å; D182-A186 PolarHBondContact O-N 2.66Å; L183-A186 PolarHBondContact O-N 2.87Å; A186-K188 VanDerWaalsContact C-N 3.34Å; A186-K188 PolarHBondContact O-N 3.07Å; A186-H189 PolarHBondContact O-N 3.26Å; A186-Q190 PolarHBondContact O-N 3.38Å |
| 187 | L | 79.4 | Confident | 86.7 | Confident | 125 Ų | 125 | 100.6 Ų | 100.6 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.5 | -36.4 | -179.8 | -147.3 | 156.3 | 0 | 0 | 0 | 111.3 | L183 S185 Q190 G191 | L183-L187 WeakPolarHBondContact O-CB 3.36Å; L183-L187 PolarHBondContact O-N 3.08Å; S185-L187 PolarHBondContact O-N 3.43Å; L187-Q190 PolarHBondContact O-N 2.77Å; L187-G191 PolarHBondContact O-N 3.16Å |
| 188 | K | 80.9 | Confident | 86.7 | Confident | 153 Ų | 153 | 100.7 Ų | 100.7 | 67% | 0.665 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.8 | -41.1 | 171.9 | -174.8 | 179.5 | 179.3 | -177.9 | 0 | 112.8 | E184 S185 A186 G191 L192 | E184-K188 WeakPolarHBondContact O-CB 3.36Å; E184-K188 PolarHBondContact O-N 3.23Å; S185-K188 PolarHBondContact O-N 2.79Å; A186-K188 VanDerWaalsContact C-N 3.34Å; A186-K188 PolarHBondContact O-N 3.07Å; K188-G191 PolarHBondContact O-N 2.94Å; K188-L192 PolarHBondContact O-N 3.36Å |
| 189 | H | 80.9 | Confident | 86.6 | Confident | 123 Ų | 123 | 103.4 Ų | 103.4 | 57% | 0.569 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.5 | -42 | 176 | -72.1 | 86.9 | 0 | 0 | 0 | 111.6 | S185 A186 G191 L192 D193 | S185-H189 PolarHBondContact O-N 3.19Å; S185-H189 PolarHBondContact O-ND1 3.47Å; A186-H189 PolarHBondContact O-N 3.26Å; H189-G191 VanDerWaalsContact C-N 3.28Å; H189-G191 PolarHBondContact O-N 3.36Å; H189-L192 WeakPolarHBondContact O-CB 3.36Å; H189-L192 PolarHBondContact O-N 3.21Å; H189-D193 PolarHBondContact O-N 2.98Å; H189-D193 VanDerWaalsContact O-N 3.15Å |
| 190 | Q | 82.3 | Confident | 86.4 | Confident | 121 Ų | 121 | 100.9 Ų | 100.9 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61 | -36.3 | 175.1 | -169.4 | 176.9 | 10.3 | 0 | 0 | 112.4 | A186 L187 L192 D193 M194 | A186-Q190 PolarHBondContact O-N 3.38Å; L187-Q190 PolarHBondContact O-N 2.77Å; Q190-L192 VanDerWaalsContact C-N 3.29Å; Q190-L192 PolarHBondContact O-N 3.27Å; Q190-D193 PolarHBondContact O-N 3.43Å; Q190-M194 PolarHBondContact O-N 2.79Å |
| 191 | G | 77.9 | Confident | 86.3 | Confident | 36 Ų | 36 | 102.4 Ų | 102.4 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.1 | -18 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L187 K188 H189 | L187-G191 PolarHBondContact O-N 3.16Å; K188-G191 PolarHBondContact O-N 2.94Å; H189-G191 VanDerWaalsContact C-N 3.28Å; H189-G191 PolarHBondContact O-N 3.36Å |
| 192 | L | 76.8 | Confident | 86.5 | Confident | 106 Ų | 106 | 102.3 Ų | 102.3 | 56% | 0.555 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -83.3 | -39.6 | 171.2 | -68.2 | 170.3 | 0 | 0 | 0 | 111.4 | K188 H189 Q190 M194 K195 W196 | K188-L192 PolarHBondContact O-N 3.36Å; H189-L192 WeakPolarHBondContact O-CB 3.36Å; H189-L192 PolarHBondContact O-N 3.21Å; Q190-L192 VanDerWaalsContact C-N 3.29Å; Q190-L192 PolarHBondContact O-N 3.27Å; L192-M194 PolarHBondContact O-N 2.98Å; L192-K195 PolarHBondContact O-N 2.91Å; L192-W196 PolarHBondContact O-N 3.33Å |
| 193 | D | 80.9 | Confident | 86.5 | Confident | 103 Ų | 103 | 103.6 Ų | 103.6 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -43.2 | 178.4 | -163.9 | 30.9 | 0 | 0 | 0 | 111.5 | H189 Q190 K195 W196 V197 | H189-D193 PolarHBondContact O-N 2.98Å; H189-D193 VanDerWaalsContact O-N 3.15Å; Q190-D193 PolarHBondContact O-N 3.43Å; D193-K195 PolarHBondContact O-N 3Å; D193-W196 PolarHBondContact O-N 2.96Å; D193-V197 WeakPolarHBondContact O-CG2 3.42Å; D193-V197 PolarHBondContact O-N 3.06Å |
| 194 | M | 83 | Confident | 86.6 | Confident | 115 Ų | 115 | 106.5 Ų | 106.5 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.1 | -46.4 | 173.3 | -73.2 | -67 | -177.3 | 0 | 0 | 112.8 | Q190 L192 W196 V197 E198 | Q190-M194 PolarHBondContact O-N 2.79Å; L192-M194 PolarHBondContact O-N 2.98Å; M194-W196 VanDerWaalsContact C-N 3.34Å; M194-W196 PolarHBondContact O-N 3.18Å; M194-V197 WeakPolarHBondContact O-CB 3.4Å; M194-V197 PolarHBondContact O-N 3.47Å; M194-E198 WeakPolarHBondContact O-CG 3.38Å; M194-E198 PolarHBondContact O-N 3.47Å |
| 195 | K | 89.5 | Confident | 86.9 | Confident | 123 Ų | 123 | 105.9 Ų | 105.9 | 54% | 0.535 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 177.9 | -73.7 | -173.3 | 174.4 | -164 | 0 | 112.6 | L192 D193 V197 E198 E199 | L192-K195 PolarHBondContact O-N 2.91Å; D193-K195 PolarHBondContact O-N 3Å; K195-V197 VanDerWaalsContact C-N 3.3Å; K195-V197 PolarHBondContact O-N 3.15Å; K195-E198 PolarHBondContact O-N 3.44Å; K195-E199 WeakPolarHBondContact O-CB 3.39Å; K195-E199 WeakPolarHBondContact O-CG 3.49Å; K195-E199 PolarHBondContact O-N 3.37Å |
| 196 | W | 88.7 | Confident | 87.2 | Confident | 143 Ų | 143 | 109.8 Ų | 109.8 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 175.3 | -177.5 | 79.4 | 0 | 0 | 0 | 111.8 | L192 D193 M194 K200 | L192-W196 PolarHBondContact O-N 3.33Å; D193-W196 PolarHBondContact O-N 2.96Å; M194-W196 VanDerWaalsContact C-N 3.34Å; M194-W196 PolarHBondContact O-N 3.18Å; W196-K200 HydrophobicContact CE3-CD 4.31Å; W196-K200 HydrophobicContact CH2-CD 3.73Å; W196-K200 HydrophobicContact CZ2-CD 4.04Å; W196-K200 HydrophobicContact CZ3-CD 3.85Å; W196-K200 WeakPolarHBondContact O-CB 3.5Å; W196-K200 PolarHBondContact O-N 2.93Å |
| 197 | V | 89.6 | Confident | 87.4 | Confident | 75 Ų | 75 | 111.6 Ų | 111.6 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 172.6 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | D193 M194 K195 Q201 | D193-V197 WeakPolarHBondContact O-CG2 3.42Å; D193-V197 PolarHBondContact O-N 3.06Å; M194-V197 WeakPolarHBondContact O-CB 3.4Å; M194-V197 PolarHBondContact O-N 3.47Å; K195-V197 VanDerWaalsContact C-N 3.3Å; K195-V197 PolarHBondContact O-N 3.15Å; V197-Q201 VanDerWaalsContact O-CB 3.31Å; V197-Q201 WeakPolarHBondContact O-CB 3.45Å; V197-Q201 PolarHBondContact O-N 3.19Å |
| 198 | E | 92.3 | Very high | 88.1 | Confident | 130 Ų | 130 | 110.7 Ų | 110.7 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.8 | -51.3 | 175.7 | -70.8 | 170.1 | 169.9 | 0 | 0 | 112.1 | M194 K195 K200 Q201 A202 | M194-E198 WeakPolarHBondContact O-CG 3.38Å; M194-E198 PolarHBondContact O-N 3.47Å; K195-E198 PolarHBondContact O-N 3.44Å; E198-K200 PolarHBondContact O-N 2.93Å; E198-Q201 PolarHBondContact O-N 2.97Å; E198-A202 PolarHBondContact O-N 3.02Å |
| 199 | E | 93.3 | Very high | 88.8 | Confident | 127 Ų | 127 | 108.3 Ų | 108.3 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.6 | -43.6 | 177.6 | -73.3 | 175.8 | -170.5 | 0 | 0 | 111.5 | K195 Q201 A202 L203 | K195-E199 WeakPolarHBondContact O-CB 3.39Å; K195-E199 WeakPolarHBondContact O-CG 3.49Å; K195-E199 PolarHBondContact O-N 3.37Å; E199-Q201 PolarHBondContact O-N 3.36Å; E199-A202 PolarHBondContact O-N 3.15Å; E199-L203 WeakPolarHBondContact O-CB 3.32Å; E199-L203 VanDerWaalsContact O-CG 3.3Å; E199-L203 WeakPolarHBondContact O-CG 3.35Å; E199-L203 PolarHBondContact O-N 2.9Å |
| 200 | K | 90.1 | Very high | 89.4 | Confident | 85 Ų | 85 | 106.6 Ų | 106.6 | 37% | 0.37 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 174.9 | 177.5 | 176.7 | 176.4 | -179.4 | 0 | 112.2 | W196 E198 L203 Y204 | W196-K200 HydrophobicContact CE3-CD 4.31Å; W196-K200 HydrophobicContact CH2-CD 3.73Å; W196-K200 HydrophobicContact CZ2-CD 4.04Å; W196-K200 HydrophobicContact CZ3-CD 3.85Å; W196-K200 WeakPolarHBondContact O-CB 3.5Å; W196-K200 PolarHBondContact O-N 2.93Å; E198-K200 PolarHBondContact O-N 2.93Å; K200-L203 PolarHBondContact O-N 3.37Å; K200-Y204 HydrophobicContact CD-CE2 4.44Å; K200-Y204 HydrophobicContact CG-CD2 4.03Å; K200-Y204 HydrophobicContact CG-CE2 3.79Å; K200-Y204 WeakPolarHBondContact O-CD2 3.47Å; K200-Y204 PolarHBondContact O-N 3.46Å |
| 201 | Q | 89.1 | Confident | 90 | Very high | 107 Ų | 107 | 104.2 Ų | 104.2 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.4 | -40.5 | 178.6 | -171.2 | 63 | 20.3 | 0 | 0 | 111.7 | V197 E198 E199 L203 Y204 Q205 | V197-Q201 VanDerWaalsContact O-CB 3.31Å; V197-Q201 WeakPolarHBondContact O-CB 3.45Å; V197-Q201 PolarHBondContact O-N 3.19Å; E198-Q201 PolarHBondContact O-N 2.97Å; E199-Q201 PolarHBondContact O-N 3.36Å; Q201-L203 VanDerWaalsContact C-N 3.35Å; Q201-Y204 PolarHBondContact O-N 3.36Å; Q201-Q205 WeakPolarHBondContact O-CG 3.35Å; Q201-Q205 PolarHBondContact O-N 2.96Å |
| 202 | A | 94.9 | Very high | 90.8 | Very high | 51 Ų | 51 | 108 Ų | 108 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | E198 E199 Q205 R206 | E198-A202 PolarHBondContact O-N 3.02Å; E199-A202 PolarHBondContact O-N 3.15Å; A202-Q205 PolarHBondContact O-N 3.06Å; A202-R206 WeakPolarHBondContact O-CB 3.36Å; A202-R206 PolarHBondContact O-N 2.87Å |
| 203 | L | 95 | Very high | 91.8 | Very high | 122 Ų | 122 | 109 Ų | 109 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 173.7 | -74.3 | 169.8 | 0 | 0 | 0 | 112.5 | E199 K200 Q201 R206 N207 | E199-L203 WeakPolarHBondContact O-CB 3.32Å; E199-L203 VanDerWaalsContact O-CG 3.3Å; E199-L203 WeakPolarHBondContact O-CG 3.35Å; E199-L203 PolarHBondContact O-N 2.9Å; K200-L203 PolarHBondContact O-N 3.37Å; Q201-L203 VanDerWaalsContact C-N 3.35Å; L203-R206 PolarHBondContact O-N 3.23Å; L203-N207 VanDerWaalsContact O-CB 3.27Å; L203-N207 WeakPolarHBondContact O-CB 3.48Å; L203-N207 PolarHBondContact O-N 3.43Å |
| 204 | Y | 90.7 | Very high | 92.4 | Very high | 147 Ų | 147 | 107.9 Ų | 107.9 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | 173.1 | -85.4 | -65.4 | 0 | 0 | 0 | 112.6 | K200 Q201 N207 Q208 | K200-Y204 HydrophobicContact CD-CE2 4.44Å; K200-Y204 HydrophobicContact CG-CD2 4.03Å; K200-Y204 HydrophobicContact CG-CE2 3.79Å; K200-Y204 WeakPolarHBondContact O-CD2 3.47Å; K200-Y204 PolarHBondContact O-N 3.46Å; Q201-Y204 PolarHBondContact O-N 3.36Å; Y204-N207 PolarHBondContact O-N 2.89Å; Y204-Q208 PolarHBondContact O-N 3.37Å |
| 205 | Q | 94.1 | Very high | 92.9 | Very high | 117 Ų | 117 | 106.6 Ų | 106.6 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -48.6 | 174.7 | -71 | 170.8 | -16 | 0 | 0 | 111 | Q201 A202 N207 Q208 E209 | Q201-Q205 WeakPolarHBondContact O-CG 3.35Å; Q201-Q205 PolarHBondContact O-N 2.96Å; A202-Q205 PolarHBondContact O-N 3.06Å; Q205-N207 VanDerWaalsContact C-N 3.28Å; Q205-N207 PolarHBondContact O-N 3.41Å; Q205-Q208 WeakPolarHBondContact O-CB 3.47Å; Q205-Q208 PolarHBondContact O-N 2.9Å; Q205-E209 WeakPolarHBondContact O-CG 3.18Å; Q205-E209 PolarHBondContact O-N 2.72Å |
| 206 | R | 94.8 | Very high | 93.3 | Very high | 141 Ų | 141 | 106.2 Ų | 106.2 | 53% | 0.532 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 177.8 | -164.1 | 74.9 | -173 | 109.2 | 4.5 | 112.9 | A202 L203 E209 L210 | A202-R206 WeakPolarHBondContact O-CB 3.36Å; A202-R206 PolarHBondContact O-N 2.87Å; L203-R206 PolarHBondContact O-N 3.23Å; R206-E209 WeakPolarHBondContact CD-OE2 3.09Å; R206-E209 IonicContact CZ-OE2 3.6Å; R206-E209 IonicContact NE-OE2 3.79Å; R206-E209 IonicContact NH1-OE2 2.67Å; R206-E209 PolarHBondContact NH1-OE2 2.75Å; R206-L210 VanDerWaalsContact O-CG 3.28Å; R206-L210 WeakPolarHBondContact O-CG 3.1Å; R206-L210 PolarHBondContact O-N 3.42Å |
| 207 | N | 90.8 | Very high | 93.5 | Very high | 94 Ų | 94 | 104.4 Ų | 104.4 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.2 | -42.4 | 176.9 | -162.8 | -22.7 | 0 | 0 | 0 | 111.1 | L203 Y204 Q205 E209 L210 V211 | L203-N207 VanDerWaalsContact O-CB 3.27Å; L203-N207 WeakPolarHBondContact O-CB 3.48Å; L203-N207 PolarHBondContact O-N 3.43Å; Y204-N207 PolarHBondContact O-N 2.89Å; Q205-N207 VanDerWaalsContact C-N 3.28Å; Q205-N207 PolarHBondContact O-N 3.41Å; N207-E209 PolarHBondContact O-N 3.14Å; N207-L210 WeakPolarHBondContact O-CB 3.48Å; N207-L210 PolarHBondContact O-N 3.18Å; N207-L210 VanDerWaalsContact O-N 3.07Å; N207-V211 WeakPolarHBondContact O-CG2 3.47Å; N207-V211 PolarHBondContact O-N 3.12Å |
| 208 | Q | 93.9 | Very high | 93.7 | Very high | 105 Ų | 105 | 106.2 Ų | 106.2 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 174.5 | -176.2 | 62.7 | 30.3 | 0 | 0 | 112.1 | Y204 Q205 L210 V211 E212 | Y204-Q208 PolarHBondContact O-N 3.37Å; Q205-Q208 WeakPolarHBondContact O-CB 3.47Å; Q205-Q208 PolarHBondContact O-N 2.9Å; Q208-L210 VanDerWaalsContact C-N 3.26Å; Q208-L210 PolarHBondContact O-N 3.49Å; Q208-V211 PolarHBondContact O-N 3.39Å; Q208-E212 WeakPolarHBondContact CG-OE1 3.41Å; Q208-E212 PolarHBondContact NE2-OE1 2.97Å; Q208-E212 WeakPolarHBondContact O-CG 3.42Å; Q208-E212 PolarHBondContact O-N 3.4Å |
| 209 | E | 95.8 | Very high | 93.8 | Very high | 104 Ų | 104 | 102 Ų | 102 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.4 | -37.7 | 174 | -67.7 | 172.5 | 162 | 0 | 0 | 112.8 | Q205 R206 N207 K213 | Q205-E209 WeakPolarHBondContact O-CG 3.18Å; Q205-E209 PolarHBondContact O-N 2.72Å; R206-E209 WeakPolarHBondContact CD-OE2 3.09Å; R206-E209 IonicContact CZ-OE2 3.6Å; R206-E209 IonicContact NE-OE2 3.79Å; R206-E209 IonicContact NH1-OE2 2.67Å; R206-E209 PolarHBondContact NH1-OE2 2.75Å; N207-E209 PolarHBondContact O-N 3.14Å; E209-K213 WeakPolarHBondContact O-CB 3.41Å; E209-K213 PolarHBondContact O-N 3.34Å; E209-K213 VanDerWaalsContact O-N 3.08Å |
| 210 | L | 94.3 | Very high | 94 | Very high | 87 Ų | 87 | 99 Ų | 99 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.2 | -39.2 | 178.4 | -71.7 | 169.2 | 0 | 0 | 0 | 111.9 | R206 N207 Q208 K213 V214 | R206-L210 VanDerWaalsContact O-CG 3.28Å; R206-L210 WeakPolarHBondContact O-CG 3.1Å; R206-L210 PolarHBondContact O-N 3.42Å; N207-L210 WeakPolarHBondContact O-CB 3.48Å; N207-L210 PolarHBondContact O-N 3.18Å; N207-L210 VanDerWaalsContact O-N 3.07Å; Q208-L210 VanDerWaalsContact C-N 3.26Å; Q208-L210 PolarHBondContact O-N 3.49Å; L210-K213 PolarHBondContact O-N 3.32Å; L210-V214 WeakPolarHBondContact O-CG2 3.28Å; L210-V214 PolarHBondContact O-N 3.46Å |
| 211 | V | 94.3 | Very high | 94 | Very high | 71 Ų | 71 | 97.6 Ų | 97.6 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 174.4 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | N207 Q208 K213 V214 V215 | N207-V211 WeakPolarHBondContact O-CG2 3.47Å; N207-V211 PolarHBondContact O-N 3.12Å; Q208-V211 PolarHBondContact O-N 3.39Å; V211-K213 VanDerWaalsContact C-N 3.3Å; V211-K213 PolarHBondContact O-N 3Å; V211-V214 PolarHBondContact O-N 3.16Å; V211-V214 VanDerWaalsContact O-N 3.16Å; V211-V215 WeakPolarHBondContact O-CG2 3.35Å; V211-V215 PolarHBondContact O-N 2.74Å |
| 212 | E | 95.9 | Very high | 94.4 | Very high | 114 Ų | 114 | 98 Ų | 98 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 176.8 | -72.4 | 172.7 | -163.4 | 0 | 0 | 111.7 | Q208 V215 Q216 | Q208-E212 WeakPolarHBondContact CG-OE1 3.41Å; Q208-E212 PolarHBondContact NE2-OE1 2.97Å; Q208-E212 WeakPolarHBondContact O-CG 3.42Å; Q208-E212 PolarHBondContact O-N 3.4Å; E212-V215 PolarHBondContact O-N 3.02Å; E212-Q216 PolarHBondContact O-N 3.46Å |
| 213 | K | 96.3 | Very high | 94.5 | Very high | 127 Ų | 127 | 102 Ų | 102 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.7 | -36.6 | 174.4 | -172.9 | 170.3 | -177.5 | 174.6 | 0 | 113.1 | E209 L210 V211 Q216 M217 | E209-K213 WeakPolarHBondContact O-CB 3.41Å; E209-K213 PolarHBondContact O-N 3.34Å; E209-K213 VanDerWaalsContact O-N 3.08Å; L210-K213 PolarHBondContact O-N 3.32Å; V211-K213 VanDerWaalsContact C-N 3.3Å; V211-K213 PolarHBondContact O-N 3Å; K213-Q216 PolarHBondContact O-N 3.22Å; K213-M217 VanDerWaalsContact O-CG 3.28Å; K213-M217 WeakPolarHBondContact O-CG 3.12Å; K213-M217 PolarHBondContact O-N 2.91Å |
| 214 | V | 93 | Very high | 94.6 | Very high | 80 Ų | 80 | 100.5 Ų | 100.5 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 173.7 | 166.7 | 0 | 0 | 0 | 0 | 110.2 | L210 V211 Q216 M217 E218 | L210-V214 WeakPolarHBondContact O-CG2 3.28Å; L210-V214 PolarHBondContact O-N 3.46Å; V211-V214 PolarHBondContact O-N 3.16Å; V211-V214 VanDerWaalsContact O-N 3.16Å; V214-Q216 VanDerWaalsContact C-N 3.29Å; V214-Q216 PolarHBondContact O-N 3.26Å; V214-M217 PolarHBondContact O-N 2.77Å; V214-E218 HydrophobicContact CG1-CG 4.3Å; V214-E218 WeakPolarHBondContact O-CG 3.46Å; V214-E218 PolarHBondContact O-N 3.01Å |
| 215 | V | 95.3 | Very high | 94.9 | Very high | 89 Ų | 89 | 97.8 Ų | 97.8 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -37.5 | 177.7 | 173.8 | 0 | 0 | 0 | 0 | 112 | V211 E212 G219 | V211-V215 WeakPolarHBondContact O-CG2 3.35Å; V211-V215 PolarHBondContact O-N 2.74Å; E212-V215 PolarHBondContact O-N 3.02Å; V215-G219 PolarHBondContact O-N 2.96Å; V215-G219 VanDerWaalsContact O-N 3.12Å |
| 216 | Q | 96.9 | Very high | 95.1 | Very high | 115 Ų | 115 | 97.1 Ų | 97.1 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -50.4 | 171.2 | -176.9 | -171.9 | -20.7 | 0 | 0 | 111.6 | E212 K213 V214 E218 G219 E220 | E212-Q216 PolarHBondContact O-N 3.46Å; K213-Q216 PolarHBondContact O-N 3.22Å; V214-Q216 VanDerWaalsContact C-N 3.29Å; V214-Q216 PolarHBondContact O-N 3.26Å; Q216-E218 VanDerWaalsContact C-N 3.3Å; Q216-E218 PolarHBondContact O-N 3.02Å; Q216-G219 PolarHBondContact O-N 3.37Å; Q216-G219 VanDerWaalsContact O-N 3.16Å; Q216-E220 PolarHBondContact NE2-OE1 2.81Å; Q216-E220 PolarHBondContact O-N 3.06Å |
| 217 | M | 92.4 | Very high | 95.2 | Very high | 104 Ų | 104 | 94 Ų | 94 | 51% | 0.512 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | -179.1 | -70.3 | -62.1 | -50.4 | 0 | 0 | 112.4 | K213 V214 E220 A221 | K213-M217 VanDerWaalsContact O-CG 3.28Å; K213-M217 WeakPolarHBondContact O-CG 3.12Å; K213-M217 PolarHBondContact O-N 2.91Å; V214-M217 PolarHBondContact O-N 2.77Å; M217-E220 PolarHBondContact O-N 3.04Å; M217-A221 VanDerWaalsContact O-CB 3.3Å; M217-A221 WeakPolarHBondContact O-CB 3.39Å; M217-A221 PolarHBondContact O-N 3.42Å |
| 218 | E | 93.8 | Very high | 95.5 | Very high | 113 Ų | 113 | 93.4 Ų | 93.4 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 173.2 | -72.5 | 176.3 | 161.6 | 0 | 0 | 111.5 | V214 Q216 E220 A221 L222 | V214-E218 HydrophobicContact CG1-CG 4.3Å; V214-E218 WeakPolarHBondContact O-CG 3.46Å; V214-E218 PolarHBondContact O-N 3.01Å; Q216-E218 VanDerWaalsContact C-N 3.3Å; Q216-E218 PolarHBondContact O-N 3.02Å; E218-E220 PolarHBondContact O-N 3.33Å; E218-A221 PolarHBondContact O-N 3Å; E218-L222 WeakPolarHBondContact O-CG 3.48Å; E218-L222 PolarHBondContact O-N 2.88Å |
| 219 | G | 95.8 | Very high | 95.7 | Very high | 41 Ų | 41 | 91.5 Ų | 91.5 | 42% | 0.423 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V215 Q216 R223 | V215-G219 PolarHBondContact O-N 2.96Å; V215-G219 VanDerWaalsContact O-N 3.12Å; Q216-G219 PolarHBondContact O-N 3.37Å; Q216-G219 VanDerWaalsContact O-N 3.16Å; G219-R223 PolarHBondContact O-N 2.99Å |
| 220 | E | 96.4 | Very high | 95.8 | Very high | 64 Ų | 64 | 91.6 Ų | 91.6 | 30% | 0.299 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.6 | -38.5 | 174.3 | -71.5 | -176.3 | -150 | 0 | 0 | 112.4 | Q216 M217 E218 R223 L224 | Q216-E220 PolarHBondContact NE2-OE1 2.81Å; Q216-E220 PolarHBondContact O-N 3.06Å; M217-E220 PolarHBondContact O-N 3.04Å; E218-E220 PolarHBondContact O-N 3.33Å; E220-R223 PolarHBondContact O-N 3.19Å; E220-L224 WeakPolarHBondContact O-CG 3.48Å; E220-L224 PolarHBondContact O-N 3.33Å |
| 221 | A | 90.6 | Very high | 95.9 | Very high | 56 Ų | 56 | 92 Ų | 92 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M217 E218 L224 N225 | M217-A221 VanDerWaalsContact O-CB 3.3Å; M217-A221 WeakPolarHBondContact O-CB 3.39Å; M217-A221 PolarHBondContact O-N 3.42Å; E218-A221 PolarHBondContact O-N 3Å; A221-L224 PolarHBondContact O-N 3.04Å; A221-N225 WeakPolarHBondContact O-CB 3.48Å; A221-N225 PolarHBondContact O-N 2.99Å |
| 222 | L | 96.8 | Very high | 96 | Very high | 115 Ų | 115 | 94.7 Ų | 94.7 | 60% | 0.602 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.9 | -48.8 | 172.9 | -74.5 | 169.8 | 0 | 0 | 0 | 111.3 | E218 L224 N225 D226 | E218-L222 WeakPolarHBondContact O-CG 3.48Å; E218-L222 PolarHBondContact O-N 2.88Å; L222-L224 PolarHBondContact O-N 2.69Å; L222-N225 WeakPolarHBondContact O-CB 3.4Å; L222-N225 PolarHBondContact O-N 2.99Å; L222-N225 VanDerWaalsContact O-N 3.15Å; L222-D226 PolarHBondContact O-N 2.94Å |
| 223 | R | 97.9 | Very high | 96.1 | Very high | 136 Ų | 136 | 93.4 Ų | 93.4 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 176.9 | -171.5 | -170 | 69.8 | -135.3 | -9.2 | 111.9 | G219 E220 N225 D226 D227 | G219-R223 PolarHBondContact O-N 2.99Å; E220-R223 PolarHBondContact O-N 3.19Å; R223-N225 VanDerWaalsContact C-N 3.28Å; R223-N225 PolarHBondContact O-N 2.87Å; R223-D226 PolarHBondContact O-N 2.89Å; R223-D227 VanDerWaalsContact O-CG 3.31Å; R223-D227 PolarHBondContact O-N 3.47Å |
| 224 | L | 97.1 | Very high | 96.2 | Very high | 91 Ų | 91 | 92.8 Ų | 92.8 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.8 | -31.6 | 178.4 | -72 | 171.1 | 0 | 0 | 0 | 112.7 | E220 A221 L222 I228 | E220-L224 WeakPolarHBondContact O-CG 3.48Å; E220-L224 PolarHBondContact O-N 3.33Å; A221-L224 PolarHBondContact O-N 3.04Å; L222-L224 PolarHBondContact O-N 2.69Å; L224-I228 WeakPolarHBondContact O-CB 3.46Å; L224-I228 WeakPolarHBondContact O-CD1 3.44Å; L224-I228 WeakPolarHBondContact O-CG1 3.29Å; L224-I228 PolarHBondContact O-N 3.3Å |
| 225 | N | 96.8 | Very high | 96.3 | Very high | 90 Ų | 90 | 93 Ų | 93 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.9 | -37.3 | 173.9 | 178.5 | 84.2 | 0 | 0 | 0 | 112.1 | A221 L222 R223 I228 Q229 | A221-N225 WeakPolarHBondContact O-CB 3.48Å; A221-N225 PolarHBondContact O-N 2.99Å; L222-N225 WeakPolarHBondContact O-CB 3.4Å; L222-N225 PolarHBondContact O-N 2.99Å; L222-N225 VanDerWaalsContact O-N 3.15Å; R223-N225 VanDerWaalsContact C-N 3.28Å; R223-N225 PolarHBondContact O-N 2.87Å; N225-I228 PolarHBondContact O-N 3.14Å; N225-Q229 PolarHBondContact O-N 3.16Å; N225-Q229 VanDerWaalsContact O-N 3.1Å |
| 226 | D | 97.4 | Very high | 96.4 | Very high | 103 Ų | 103 | 93.8 Ų | 93.8 | 55% | 0.551 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.6 | -46.4 | 172.1 | -67 | -16.6 | 0 | 0 | 0 | 110.9 | L222 R223 I228 Q229 D230 | L222-D226 PolarHBondContact O-N 2.94Å; R223-D226 PolarHBondContact O-N 2.89Å; D226-I228 VanDerWaalsContact C-N 3.28Å; D226-I228 PolarHBondContact O-N 2.98Å; D226-Q229 PolarHBondContact O-N 3.03Å; D226-D230 PolarHBondContact O-N 3.47Å |
| 227 | D | 97.5 | Very high | 96.5 | Very high | 75 Ų | 75 | 94 Ų | 94 | 40% | 0.401 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.1 | -41.2 | 174.6 | -67.4 | -39.4 | 0 | 0 | 0 | 111.6 | R223 Q229 D230 I231 | R223-D227 VanDerWaalsContact O-CG 3.31Å; R223-D227 PolarHBondContact O-N 3.47Å; D227-Q229 VanDerWaalsContact C-N 3.35Å; D227-D230 PolarHBondContact O-N 2.92Å; D227-I231 WeakPolarHBondContact O-CG1 3.48Å; D227-I231 PolarHBondContact O-N 2.93Å; D227-I231 VanDerWaalsContact O-N 3.13Å |
| 228 | I | 97 | Very high | 96.7 | Very high | 82 Ų | 82 | 94 Ų | 94 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 175.9 | -75.7 | 165.2 | 0 | 0 | 0 | 111.9 | L224 N225 D226 R232 | L224-I228 WeakPolarHBondContact O-CB 3.46Å; L224-I228 WeakPolarHBondContact O-CD1 3.44Å; L224-I228 WeakPolarHBondContact O-CG1 3.29Å; L224-I228 PolarHBondContact O-N 3.3Å; N225-I228 PolarHBondContact O-N 3.14Å; D226-I228 VanDerWaalsContact C-N 3.28Å; D226-I228 PolarHBondContact O-N 2.98Å; I228-R232 WeakPolarHBondContact O-CG 3.45Å; I228-R232 PolarHBondContact O-N 3.07Å; I228-R232 VanDerWaalsContact O-N 3.14Å |
| 229 | Q | 97.8 | Very high | 96.8 | Very high | 65 Ų | 65 | 94.6 Ų | 94.6 | 30% | 0.304 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -73.2 | -42.6 | 177.2 | -168.4 | 59.4 | 50.7 | 0 | 0 | 111.3 | N225 D226 D227 I231 R232 D233 | N225-Q229 PolarHBondContact O-N 3.16Å; N225-Q229 VanDerWaalsContact O-N 3.1Å; D226-Q229 PolarHBondContact O-N 3.03Å; D227-Q229 VanDerWaalsContact C-N 3.35Å; Q229-I231 PolarHBondContact O-N 3.02Å; Q229-R232 WeakPolarHBondContact O-CB 3.35Å; Q229-R232 PolarHBondContact O-N 3Å; Q229-D233 PolarHBondContact NE2-OD1 2.96Å; Q229-D233 PolarHBondContact O-N 3.34Å |
| 230 | D | 97.9 | Very high | 96.8 | Very high | 106 Ų | 106 | 99.3 Ų | 99.3 | 57% | 0.567 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.9 | -33.4 | 174 | -100.9 | 21 | 0 | 0 | 0 | 112.2 | D226 D227 Q234 | D226-D230 PolarHBondContact O-N 3.47Å; D227-D230 PolarHBondContact O-N 2.92Å; D230-Q234 VanDerWaalsContact O-CG 3.27Å; D230-Q234 WeakPolarHBondContact O-CG 3.31Å; D230-Q234 PolarHBondContact O-N 2.77Å; D230-Q234 PolarHBondContact O-NE2 3.26Å |
| 231 | I | 96.9 | Very high | 96.8 | Very high | 96 Ų | 96 | 102 Ų | 102 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.2 | -36.3 | 174.1 | -69.4 | 166.5 | 0 | 0 | 0 | 111.9 | D227 Q229 Q234 N235 | D227-I231 WeakPolarHBondContact O-CG1 3.48Å; D227-I231 PolarHBondContact O-N 2.93Å; D227-I231 VanDerWaalsContact O-N 3.13Å; Q229-I231 PolarHBondContact O-N 3.02Å; I231-Q234 PolarHBondContact O-N 3.38Å; I231-N235 PolarHBondContact O-N 3.13Å; I231-N235 PolarHBondContact O-ND2 2.85Å |
| 232 | R | 97.1 | Very high | 97 | Very high | 126 Ų | 126 | 103.7 Ų | 103.7 | 48% | 0.475 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -48.8 | 175.2 | -74.4 | 168.9 | 178.2 | 160.3 | 1.6 | 111.5 | I228 Q229 Q234 N235 E236 | I228-R232 WeakPolarHBondContact O-CG 3.45Å; I228-R232 PolarHBondContact O-N 3.07Å; I228-R232 VanDerWaalsContact O-N 3.14Å; Q229-R232 WeakPolarHBondContact O-CB 3.35Å; Q229-R232 PolarHBondContact O-N 3Å; R232-Q234 PolarHBondContact O-N 2.97Å; R232-N235 PolarHBondContact O-N 3.36Å; R232-E236 PolarHBondContact O-N 2.74Å |
| 233 | D | 97.9 | Very high | 96.9 | Very high | 87 Ų | 87 | 103 Ų | 103 | 47% | 0.465 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.5 | -34.2 | 177 | -73.8 | 35.1 | 0 | 0 | 0 | 111.4 | Q229 L237 | Q229-D233 PolarHBondContact NE2-OD1 2.96Å; Q229-D233 PolarHBondContact O-N 3.34Å; D233-L237 WeakPolarHBondContact O-CB 3.46Å; D233-L237 PolarHBondContact O-N 3.04Å |
| 234 | Q | 97.6 | Very high | 96.7 | Very high | 115 Ų | 115 | 100.7 Ų | 100.7 | 54% | 0.537 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.1 | -41.3 | 172.1 | -78.2 | 171.6 | 71.8 | 0 | 0 | 113.2 | D230 I231 R232 L237 L238 | D230-Q234 VanDerWaalsContact O-CG 3.27Å; D230-Q234 WeakPolarHBondContact O-CG 3.31Å; D230-Q234 PolarHBondContact O-N 2.77Å; D230-Q234 PolarHBondContact O-NE2 3.26Å; I231-Q234 PolarHBondContact O-N 3.38Å; R232-Q234 PolarHBondContact O-N 2.97Å; Q234-L237 PolarHBondContact O-N 3.1Å; Q234-L238 WeakPolarHBondContact O-CG 3.33Å; Q234-L238 PolarHBondContact O-N 2.93Å |
| 235 | N | 95.8 | Very high | 96.2 | Very high | 83 Ų | 83 | 100.3 Ų | 100.3 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 177 | -74.5 | -22.5 | 0 | 0 | 0 | 111.8 | I231 R232 L237 L238 E239 | I231-N235 PolarHBondContact O-N 3.13Å; I231-N235 PolarHBondContact O-ND2 2.85Å; R232-N235 PolarHBondContact O-N 3.36Å; N235-L237 VanDerWaalsContact C-N 3.28Å; N235-L237 PolarHBondContact O-N 3.38Å; N235-L238 WeakPolarHBondContact O-CB 3.36Å; N235-L238 PolarHBondContact O-N 3.42Å; N235-E239 PolarHBondContact O-N 2.91Å |
| 236 | E | 97.4 | Very high | 95.8 | Very high | 106 Ų | 106 | 101 Ų | 101 | 50% | 0.495 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.8 | -43.3 | 173.6 | -70.3 | -176.8 | -161.3 | 0 | 0 | 111 | R232 L238 E239 F240 | R232-E236 PolarHBondContact O-N 2.74Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-L238 PolarHBondContact O-N 2.81Å; E236-E239 PolarHBondContact O-N 3.36Å; E236-F240 HydrophobicContact CB-CE2 4.43Å; E236-F240 WeakPolarHBondContact O-CD2 3.19Å; E236-F240 PolarHBondContact O-N 2.98Å |
| 237 | L | 97.8 | Very high | 95.4 | Very high | 120 Ų | 120 | 99.2 Ų | 99.2 | 63% | 0.628 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.5 | -35.1 | 175.6 | -176.9 | 62.6 | 0 | 0 | 0 | 113.1 | D233 Q234 N235 R241 | D233-L237 WeakPolarHBondContact O-CB 3.46Å; D233-L237 PolarHBondContact O-N 3.04Å; Q234-L237 PolarHBondContact O-N 3.1Å; N235-L237 VanDerWaalsContact C-N 3.28Å; N235-L237 PolarHBondContact O-N 3.38Å; L237-R241 WeakPolarHBondContact O-CB 3.4Å; L237-R241 PolarHBondContact O-N 2.9Å; L237-R241 VanDerWaalsContact O-N 3.07Å |
| 238 | L | 96.8 | Very high | 94.8 | Very high | 103 Ų | 103 | 102.1 Ų | 102.1 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.6 | -40.4 | 174.8 | -71.4 | 171.4 | 0 | 0 | 0 | 111.8 | Q234 N235 E236 R241 I242 | Q234-L238 WeakPolarHBondContact O-CG 3.33Å; Q234-L238 PolarHBondContact O-N 2.93Å; N235-L238 WeakPolarHBondContact O-CB 3.36Å; N235-L238 PolarHBondContact O-N 3.42Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-L238 PolarHBondContact O-N 2.81Å; L238-R241 CarbonylContact O-C 3.58Å; L238-R241 PolarHBondContact O-N 3Å; L238-R241 VanDerWaalsContact O-N 3.14Å; L238-I242 WeakPolarHBondContact O-CG1 3.27Å; L238-I242 PolarHBondContact O-N 3.41Å |
| 239 | E | 96.4 | Very high | 94 | Very high | 127 Ų | 127 | 105.2 Ų | 105.2 | 59% | 0.593 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.6 | -48.5 | 173.4 | -71.6 | 178.2 | -166.7 | 0 | 0 | 111.3 | N235 E236 R241 I242 L243 | N235-E239 PolarHBondContact O-N 2.91Å; E236-E239 PolarHBondContact O-N 3.36Å; E239-R241 PolarHBondContact O-N 3.32Å; E239-I242 PolarHBondContact O-N 3.17Å; E239-L243 WeakPolarHBondContact O-CG 3.28Å; E239-L243 PolarHBondContact O-N 2.65Å |
| 240 | F | 96.7 | Very high | 93.1 | Very high | 139 Ų | 139 | 110.1 Ų | 110.1 | 61% | 0.61 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.2 | -37.3 | 173.6 | -71.6 | -58.2 | 0 | 0 | 0 | 112.4 | E236 E244 | E236-F240 HydrophobicContact CB-CE2 4.43Å; E236-F240 WeakPolarHBondContact O-CD2 3.19Å; E236-F240 PolarHBondContact O-N 2.98Å; F240-E244 WeakPolarHBondContact O-CB 3.42Å; F240-E244 PolarHBondContact O-N 3.48Å |
| 241 | R | 96.2 | Very high | 92.3 | Very high | 121 Ų | 121 | 113.7 Ų | 113.7 | 46% | 0.457 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.9 | -34.8 | 178.7 | -178.9 | 55.4 | 177.8 | -176.8 | -1 | 112.8 | L237 L238 E239 E244 L245 | L237-R241 WeakPolarHBondContact O-CB 3.4Å; L237-R241 PolarHBondContact O-N 2.9Å; L237-R241 VanDerWaalsContact O-N 3.07Å; L238-R241 CarbonylContact O-C 3.58Å; L238-R241 PolarHBondContact O-N 3Å; L238-R241 VanDerWaalsContact O-N 3.14Å; E239-R241 PolarHBondContact O-N 3.32Å; R241-E244 WeakPolarHBondContact CD-OE2 3.44Å; R241-E244 IonicContact CZ-OE2 2.97Å; R241-E244 IonicContact NH1-OE1 2.71Å; R241-E244 IonicContact NH1-OE2 2.8Å; R241-E244 PolarHBondContact NH1-OE2 3.14Å; R241-E244 PolarHBondContact O-N 3.3Å; R241-L245 HydrophobicContact CG-CD1 4.3Å; R241-L245 VanDerWaalsContact O-CG 3.27Å; R241-L245 WeakPolarHBondContact O-CG 3.23Å; R241-L245 PolarHBondContact O-N 3.06Å |
| 242 | I | 94.1 | Very high | 90.4 | Very high | 91 Ų | 91 | 112.1 Ų | 112.1 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -51 | 173.5 | -70.6 | 162.6 | 0 | 0 | 0 | 109.4 | L238 E239 E244 L245 E246 | L238-I242 WeakPolarHBondContact O-CG1 3.27Å; L238-I242 PolarHBondContact O-N 3.41Å; E239-I242 PolarHBondContact O-N 3.17Å; I242-E244 VanDerWaalsContact C-N 3.27Å; I242-E244 PolarHBondContact O-N 3.05Å; I242-L245 WeakPolarHBondContact O-CA 3.24Å; I242-L245 WeakPolarHBondContact O-CB 3.37Å; I242-L245 PolarHBondContact O-N 3.09Å; I242-E246 HydrophobicContact CG2-CG 4.28Å; I242-E246 WeakPolarHBondContact CG2-OE1 3.35Å; I242-E246 WeakPolarHBondContact O-CG 3.16Å; I242-E246 PolarHBondContact O-N 2.98Å |
| 243 | L | 95.2 | Very high | 88.4 | Confident | 102 Ų | 102 | 112.3 Ų | 112.3 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.9 | -35.7 | 177.2 | -64.7 | 168.5 | 0 | 0 | 0 | 112.7 | E239 L245 E247 | E239-L243 WeakPolarHBondContact O-CG 3.28Å; E239-L243 PolarHBondContact O-N 2.65Å; L243-L245 VanDerWaalsContact C-N 3.29Å; L243-L245 PolarHBondContact O-N 3.2Å; L243-E247 PolarHBondContact O-N 3.31Å; L243-E247 VanDerWaalsContact O-N 3.13Å |
| 244 | E | 93.3 | Very high | 86.3 | Confident | 86 Ų | 86 | 110.5 Ų | 110.5 | 40% | 0.402 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.1 | -22 | 175.2 | -154.7 | -146.1 | 161.8 | 0 | 0 | 113.7 | F240 R241 I242 R248 | F240-E244 WeakPolarHBondContact O-CB 3.42Å; F240-E244 PolarHBondContact O-N 3.48Å; R241-E244 WeakPolarHBondContact CD-OE2 3.44Å; R241-E244 IonicContact CZ-OE2 2.97Å; R241-E244 IonicContact NH1-OE1 2.71Å; R241-E244 IonicContact NH1-OE2 2.8Å; R241-E244 PolarHBondContact NH1-OE2 3.14Å; R241-E244 PolarHBondContact O-N 3.3Å; I242-E244 VanDerWaalsContact C-N 3.27Å; I242-E244 PolarHBondContact O-N 3.05Å; E244-R248 WeakPolarHBondContact O-CG 3.43Å; E244-R248 PolarHBondContact O-NH1 2.85Å; E244-R248 VanDerWaalsContact O-NH1 3.11Å; E244-R248 IonicContact OE1-CZ 2.66Å; E244-R248 IonicContact OE1-NH1 3.7Å; E244-R248 PolarHBondContact OE1-NH1 3.28Å; E244-R248 IonicContact OE1-NH2 2.76Å; E244-R248 PolarHBondContact OE1-NH2 2.9Å; E244-R248 VanDerWaalsContact OE1-NH2 3.07Å; E244-R248 IonicContact OE2-NH1 3.86Å |
| 245 | L | 87.3 | Confident | 84.2 | Confident | 83 Ų | 83 | 111.8 Ų | 111.8 | 44% | 0.435 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -88.5 | -42.5 | 175.5 | -70.8 | 168.2 | 0 | 0 | 0 | 111.1 | R241 I242 L243 R248 E249 | R241-L245 HydrophobicContact CG-CD1 4.3Å; R241-L245 VanDerWaalsContact O-CG 3.27Å; R241-L245 WeakPolarHBondContact O-CG 3.23Å; R241-L245 PolarHBondContact O-N 3.06Å; I242-L245 WeakPolarHBondContact O-CA 3.24Å; I242-L245 WeakPolarHBondContact O-CB 3.37Å; I242-L245 PolarHBondContact O-N 3.09Å; L243-L245 VanDerWaalsContact C-N 3.29Å; L243-L245 PolarHBondContact O-N 3.2Å; L245-R248 CarbonylContact O-C 3.52Å; L245-R248 WeakPolarHBondContact O-CA 3.27Å; L245-R248 VanDerWaalsContact O-CB 3.31Å; L245-R248 WeakPolarHBondContact O-CB 2.96Å; L245-R248 PolarHBondContact O-N 3.17Å; L245-R248 VanDerWaalsContact O-N 3.11Å; L245-E249 PolarHBondContact O-N 2.98Å |
| 246 | E | 88 | Confident | 81.8 | Confident | 105 Ų | 105 | 115.5 Ų | 115.5 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.7 | -47.8 | 175.5 | -69.7 | 175.4 | 170.5 | 0 | 0 | 112 | I242 R248 E249 R250 | I242-E246 HydrophobicContact CG2-CG 4.28Å; I242-E246 WeakPolarHBondContact CG2-OE1 3.35Å; I242-E246 WeakPolarHBondContact O-CG 3.16Å; I242-E246 PolarHBondContact O-N 2.98Å; E246-R248 PolarHBondContact O-N 2.77Å; E246-E249 PolarHBondContact O-N 3.18Å; E246-R250 WeakPolarHBondContact O-CB 3.39Å; E246-R250 PolarHBondContact O-N 3.03Å |
| 247 | E | 89 | Confident | 79.6 | Confident | 65 Ų | 65 | 117.5 Ų | 117.5 | 30% | 0.304 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.9 | -17.5 | 177.1 | -178.4 | 61.8 | -178 | 0 | 0 | 112.4 | L243 R250 R251 | L243-E247 PolarHBondContact O-N 3.31Å; L243-E247 VanDerWaalsContact O-N 3.13Å; E247-R250 VanDerWaalsContact CD-NH2 3.28Å; E247-R250 IonicContact OE1-CZ 3.82Å; E247-R250 IonicContact OE1-NH2 2.6Å; E247-R250 PolarHBondContact OE1-NH2 3.4Å; E247-R250 IonicContact OE2-CZ 3.25Å; E247-R250 VanDerWaalsContact OE2-CZ 3.25Å; E247-R250 IonicContact OE2-NE 2.71Å; E247-R250 PolarHBondContact OE2-NE 2.98Å; E247-R250 IonicContact OE2-NH2 2.73Å; E247-R250 PolarHBondContact OE2-NH2 2.76Å; E247-R251 WeakPolarHBondContact O-CB 3.35Å; E247-R251 WeakPolarHBondContact O-CD 3.18Å; E247-R251 WeakPolarHBondContact O-CG 3.49Å; E247-R251 PolarHBondContact O-N 2.83Å; E247-R251 IonicContact OE1-CZ 2.76Å; E247-R251 IonicContact OE1-NE 3.18Å; E247-R251 PolarHBondContact OE1-NE 3.19Å; E247-R251 IonicContact OE1-NH2 2.63Å; E247-R251 PolarHBondContact OE1-NH2 3.05Å |
| 248 | R | 85.3 | Confident | 77.4 | Confident | 137 Ų | 137 | 120.3 Ų | 120.3 | 52% | 0.517 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.7 | -46.4 | 166.8 | -96.3 | -167.7 | -175.3 | 79 | -2.5 | 111.7 | E244 L245 E246 R251 S252 | E244-R248 WeakPolarHBondContact O-CG 3.43Å; E244-R248 PolarHBondContact O-NH1 2.85Å; E244-R248 VanDerWaalsContact O-NH1 3.11Å; E244-R248 IonicContact OE1-CZ 2.66Å; E244-R248 IonicContact OE1-NH1 3.7Å; E244-R248 PolarHBondContact OE1-NH1 3.28Å; E244-R248 IonicContact OE1-NH2 2.76Å; E244-R248 PolarHBondContact OE1-NH2 2.9Å; E244-R248 VanDerWaalsContact OE1-NH2 3.07Å; E244-R248 IonicContact OE2-NH1 3.86Å; L245-R248 CarbonylContact O-C 3.52Å; L245-R248 WeakPolarHBondContact O-CA 3.27Å; L245-R248 VanDerWaalsContact O-CB 3.31Å; L245-R248 WeakPolarHBondContact O-CB 2.96Å; L245-R248 PolarHBondContact O-N 3.17Å; L245-R248 VanDerWaalsContact O-N 3.11Å; E246-R248 PolarHBondContact O-N 2.77Å; R248-R251 CarbonylContact O-C 3.58Å; R248-R251 PolarHBondContact O-N 3.05Å; R248-S252 PolarHBondContact O-N 2.78Å |
| 249 | E | 80.6 | Confident | 75.2 | Confident | 147 Ų | 147 | 124.8 Ų | 124.8 | 69% | 0.687 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.6 | -49.7 | 176.5 | -178.7 | 173.1 | -151.4 | 0 | 0 | 110.3 | L245 E246 R251 S252 | L245-E249 PolarHBondContact O-N 2.98Å; E246-E249 PolarHBondContact O-N 3.18Å; E249-R251 PolarHBondContact O-N 3.04Å; E249-R251 VanDerWaalsContact O-N 3.12Å; E249-S252 WeakPolarHBondContact O-CB 3.38Å; E249-S252 PolarHBondContact O-N 3.31Å; E249-S252 PolarHBondContact O-OG 3.1Å |
| 250 | R | 78.7 | Confident | 73.3 | Confident | 168 Ų | 168 | 122.1 Ų | 122.1 | 63% | 0.634 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -16.3 | 177.7 | -155.3 | -162.4 | 62 | 69 | 4.2 | 114.4 | E246 E247 | E246-R250 WeakPolarHBondContact O-CB 3.39Å; E246-R250 PolarHBondContact O-N 3.03Å; E247-R250 VanDerWaalsContact CD-NH2 3.28Å; E247-R250 IonicContact OE1-CZ 3.82Å; E247-R250 IonicContact OE1-NH2 2.6Å; E247-R250 PolarHBondContact OE1-NH2 3.4Å; E247-R250 IonicContact OE2-CZ 3.25Å; E247-R250 VanDerWaalsContact OE2-CZ 3.25Å; E247-R250 IonicContact OE2-NE 2.71Å; E247-R250 PolarHBondContact OE2-NE 2.98Å; E247-R250 IonicContact OE2-NH2 2.73Å; E247-R250 PolarHBondContact OE2-NH2 2.76Å |
| 251 | R | 80.9 | Confident | 71.6 | Confident | 181 Ų | 181 | 123.3 Ų | 123.3 | 68% | 0.683 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -7.7 | 172.7 | -72.3 | -179.3 | -170.8 | -153.6 | 6.2 | 113.8 | E247 R248 E249 | E247-R251 WeakPolarHBondContact O-CB 3.35Å; E247-R251 WeakPolarHBondContact O-CD 3.18Å; E247-R251 WeakPolarHBondContact O-CG 3.49Å; E247-R251 PolarHBondContact O-N 2.83Å; E247-R251 IonicContact OE1-CZ 2.76Å; E247-R251 IonicContact OE1-NE 3.18Å; E247-R251 PolarHBondContact OE1-NE 3.19Å; E247-R251 IonicContact OE1-NH2 2.63Å; E247-R251 PolarHBondContact OE1-NH2 3.05Å; R248-R251 CarbonylContact O-C 3.58Å; R248-R251 PolarHBondContact O-N 3.05Å; E249-R251 PolarHBondContact O-N 3.04Å; E249-R251 VanDerWaalsContact O-N 3.12Å |
| 252 | S | 55.4 | Low | 70 | Confident | 63 Ų | 63 | 121.9 Ų | 121.9 | 44% | 0.441 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -71.1 | 145.2 | 176.2 | 74.7 | 0 | 0 | 0 | 0 | 110.3 | R248 E249 G254 | R248-S252 PolarHBondContact O-N 2.78Å; E249-S252 WeakPolarHBondContact O-CB 3.38Å; E249-S252 PolarHBondContact O-N 3.31Å; E249-S252 PolarHBondContact O-OG 3.1Å; S252-G254 PolarHBondContact O-N 2.9Å |
| 253 | P | 55.3 | Low | 68.7 | Low | 130 Ų | 130 | 120.5 Ų | 120.5 | 84% | 0.844 | 59% | 0.588 | S | S | * | * | trans | -65.4 | 101.9 | 167.6 | -18.7 | 32.5 | 0 | 0 | 0 | 108.8 | I255 | P253-I255 PolarHBondContact O-N 2.93Š| ||
| 254 | G | 54.2 | Low | 66.9 | Low | 49 Ų | 49 | 125.4 Ų | 125.4 | 51% | 0.505 | 61% | 0.608 | S | S | . | * | trans | -57.8 | 124.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S252 N256 | S252-G254 PolarHBondContact O-N 2.9Å; G254-N256 PolarHBondContact O-N 3.19Å; G254-N256 VanDerWaalsContact O-N 3.14Å | ||
| 255 | I | 54.5 | Low | 65.5 | Low | 142 Ų | 142 | 125.1 Ų | 125.1 | 73% | 0.728 | 63% | 0.628 | S | S | * | * | trans | -68.5 | 108 | 163.2 | -58.8 | 176.5 | 0 | 0 | 0 | 106.2 | P253 F257 | P253-I255 PolarHBondContact O-N 2.93Å; I255-F257 VanDerWaalsContact C-N 3.25Å; I255-F257 HydrophobicContact CB-CD2 4.41Å; I255-F257 HydrophobicContact CB-CE2 4.23Å; I255-F257 HydrophobicContact CG2-CD2 3.9Å; I255-F257 HydrophobicContact CG2-CE2 3.51Å; I255-F257 HydrophobicContact CG2-CZ 4.16Å; I255-F257 PolarHBondContact O-N 3.33Å | ||
| 256 | N | 44.9 | Very low | 64.5 | Low | 160 Ų | 160 | 124.3 Ų | 124.3 | 86% | 0.856 | 62% | 0.624 | S | S | * | * | trans | -72.3 | 73 | -172.9 | -81.2 | -69.8 | 0 | 0 | 0 | 112.6 | G254 K258 | G254-N256 PolarHBondContact O-N 3.19Å; G254-N256 VanDerWaalsContact O-N 3.14Å; N256-K258 PolarHBondContact O-N 2.87Å | ||
| 257 | F | 51.4 | Low | 63.6 | Low | 149 Ų | 149 | 121.5 Ų | 121.5 | 65% | 0.654 | 62% | 0.616 | S | S | * | * | trans | -68 | 126.1 | 157.9 | -70.5 | -75.8 | 0 | 0 | 0 | 108.9 | I255 Q259 Y272 | I255-F257 VanDerWaalsContact C-N 3.25Å; I255-F257 HydrophobicContact CB-CD2 4.41Å; I255-F257 HydrophobicContact CB-CE2 4.23Å; I255-F257 HydrophobicContact CG2-CD2 3.9Å; I255-F257 HydrophobicContact CG2-CE2 3.51Å; I255-F257 HydrophobicContact CG2-CZ 4.16Å; I255-F257 PolarHBondContact O-N 3.33Å; F257-Q259 PolarHBondContact O-N 3.18Å; F257-Y272 HydrophobicContact CD1-CE1 4.47Å | ||
| 258 | K | 51.8 | Low | 62.5 | Low | 179 Ų | 179 | 121.7 Ų | 121.7 | 78% | 0.778 | 62% | 0.622 | S | S | * | * | trans | -65.9 | 121 | 175.1 | -67.2 | 173.9 | -177.2 | 168.8 | 0 | 108 | N256 L260 | N256-K258 PolarHBondContact O-N 2.87Å; K258-L260 PolarHBondContact O-N 3.16Å | ||
| 259 | Q | 50.9 | Low | 61.6 | Low | 197 Ų | 197 | 121.2 Ų | 121.2 | 92% | 0.921 | 63% | 0.629 | S | S | * | * | trans | -68.5 | 93.9 | -179 | -168.2 | 172.4 | 11.4 | 0 | 0 | 110.3 | F257 | F257-Q259 PolarHBondContact O-N 3.18Š| ||
| 260 | L | 56.1 | Low | 61 | Low | 70 Ų | 70 | 118.2 Ų | 118.2 | 37% | 0.366 | 62% | 0.615 | S | S | . | * | trans | -77.6 | 145.2 | 173.8 | -69.4 | 168.5 | 0 | 0 | 0 | 110 | K258 F262 I271 Y272 | K258-L260 PolarHBondContact O-N 3.16Å; L260-F262 HydrophobicContact CB-CE1 4.35Å; L260-F262 PolarHBondContact O-N 2.94Å; L260-I271 HydrophobicContact CB-CG2 4.42Å; L260-I271 HydrophobicContact CD1-CG2 4.1Å; L260-Y272 HydrophobicContact CD1-CD1 4.24Å; L260-Y272 HydrophobicContact CD1-CE1 3.96Å | ||
| 261 | H | 60 | Low | 60.7 | Low | 165 Ų | 165 | 111.1 Ų | 111.1 | 76% | 0.764 | 59% | 0.59 | S | S | * | * | trans | -79.6 | 114.4 | 173.7 | 175.4 | -69.9 | 0 | 0 | 0 | 109.3 | P263 | H261-P263 WeakPolarHBondContact O-CD 3.08Š| ||
| 262 | F | 63.4 | Low | 60.2 | Low | 91 Ų | 91 | 106.2 Ų | 106.2 | 40% | 0.399 | 57% | 0.572 | S | S | . | * | trans | -86.1 | 108.5 | 179.3 | -49.8 | -66.7 | 0 | 0 | 0 | 110.9 | L260 P268 I271 Y272 | L260-F262 HydrophobicContact CB-CE1 4.35Å; L260-F262 PolarHBondContact O-N 2.94Å; F262-P268 HydrophobicContact CD1-CB 4.13Å; F262-P268 HydrophobicContact CD1-CG 4.38Å; F262-P268 HydrophobicContact CE1-CB 3.78Å; F262-P268 HydrophobicContact CE1-CG 4.42Å; F262-P268 HydrophobicContact CG-CG 4.48Å; F262-P268 HydrophobicContact CZ-CB 4.02Å; F262-I271 HydrophobicContact CB-CD1 4.07Å; F262-I271 HydrophobicContact CD1-CB 4.23Å; F262-I271 HydrophobicContact CD1-CD1 3.7Å; F262-I271 HydrophobicContact CD1-CG2 4.09Å; F262-I271 HydrophobicContact CE1-CG2 4.26Å; F262-I271 HydrophobicContact CG-CD1 4.38Å; F262-Y272 HydrophobicContact CE1-CE2 4.43Å; F262-Y272 HydrophobicContact CZ-CE2 4.44Å | ||
| 263 | P | 66.1 | Low | 61 | Low | 62 Ų | 62 | 104.5 Ų | 104.5 | 40% | 0.403 | 56% | 0.56 | S | S | . | * | trans | -67.2 | 151.4 | 170.2 | 29.5 | -37.3 | 0 | 0 | 0 | 112 | H261 G265 L266 I271 | H261-P263 WeakPolarHBondContact O-CD 3.08Å; P263-G265 PolarHBondContact O-N 3.32Å; P263-L266 HydrophobicContact CG-CD1 4.26Å; P263-I271 HydrophobicContact CG-CD1 4.35Å | ||
| 264 | E | 57.8 | Low | 61.8 | Low | 205 Ų | 205 | 102.6 Ų | 102.6 | 96% | 0.958 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 129.4 | -178.5 | -167.1 | 166.3 | -143.5 | 0 | 0 | 111.5 | ||
| 265 | G | 64.1 | Low | 62.7 | Low | 80 Ų | 80 | 103.6 Ų | 103.6 | 83% | 0.825 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.8 | -9.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | P263 | P263-G265 PolarHBondContact O-N 3.32Š|
| 266 | L | 66.8 | Low | 63.6 | Low | 66 Ų | 66 | 104.6 Ų | 104.6 | 35% | 0.346 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -110.2 | 140.7 | 172.1 | -68.8 | 178.2 | 0 | 0 | 0 | 111.2 | P263 I271 | P263-L266 HydrophobicContact CG-CD1 4.26Å; L266-I271 HydrophobicContact CB-CD1 3.74Å; L266-I271 HydrophobicContact CB-CG1 4.04Å; L266-I271 HydrophobicContact CD1-CD1 4.38Å; L266-I271 HydrophobicContact CD1-CG1 4.18Å |
| 267 | S | 67.4 | Low | 64.9 | Low | 46 Ų | 46 | 99.9 Ų | 99.9 | 32% | 0.322 | 53% | 0.534 | S | S | . | . | trans | -74.1 | 149.1 | 174 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | L269 Q270 I271 | S267-L269 PolarHBondContact O-N 3.41Å; S267-L269 VanDerWaalsContact O-N 3.17Å; S267-Q270 WeakPolarHBondContact O-CB 3.37Å; S267-Q270 PolarHBondContact O-N 3.44Å; S267-Q270 VanDerWaalsContact O-N 3.09Å; S267-Q270 WeakPolarHBondContact OG-CB 3.49Å; S267-Q270 WeakPolarHBondContact OG-CG 3.4Å; S267-Q270 PolarHBondContact OG-N 3.2Å; S267-Q270 VanDerWaalsContact OG-N 3.14Å; S267-Q270 PolarHBondContact OG-OE1 2.95Å; S267-I271 PolarHBondContact O-N 3Å; S267-I271 VanDerWaalsContact O-N 3.14Å | ||
| 268 | P | 67.8 | Low | 65.7 | Low | 68 Ų | 68 | 95.9 Ų | 95.9 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.7 | -32.8 | 173.1 | -28 | 36.3 | 0 | 0 | 0 | 113 | F262 I271 Y272 | F262-P268 HydrophobicContact CD1-CB 4.13Å; F262-P268 HydrophobicContact CD1-CG 4.38Å; F262-P268 HydrophobicContact CE1-CB 3.78Å; F262-P268 HydrophobicContact CE1-CG 4.42Å; F262-P268 HydrophobicContact CG-CG 4.48Å; F262-P268 HydrophobicContact CZ-CB 4.02Å; P268-I271 PolarHBondContact O-N 3.49Å; P268-Y272 WeakPolarHBondContact O-CD2 3.3Å; P268-Y272 PolarHBondContact O-N 2.88Å; P268-Y272 VanDerWaalsContact O-N 3.12Å |
| 269 | L | 66.1 | Low | 66.4 | Low | 127 Ų | 127 | 92.5 Ų | 92.5 | 67% | 0.665 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.5 | -45.4 | 175.7 | -176.7 | 61.9 | 0 | 0 | 0 | 112.1 | S267 I271 Y272 C273 | S267-L269 PolarHBondContact O-N 3.41Å; S267-L269 VanDerWaalsContact O-N 3.17Å; L269-I271 VanDerWaalsContact C-N 3.26Å; L269-I271 PolarHBondContact O-N 2.98Å; L269-Y272 PolarHBondContact O-N 2.84Å; L269-C273 PolarHBondContact O-N 2.86Å; L269-C273 PolarHBondContact O-SG 3.39Å |
| 270 | Q | 68 | Low | 67.3 | Low | 84 Ų | 84 | 89.3 Ų | 89.3 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -54.9 | -44.7 | 172.3 | -85.2 | 165.2 | -76.8 | 0 | 0 | 111.3 | S267 Y272 C273 E274 | S267-Q270 WeakPolarHBondContact O-CB 3.37Å; S267-Q270 PolarHBondContact O-N 3.44Å; S267-Q270 VanDerWaalsContact O-N 3.09Å; S267-Q270 WeakPolarHBondContact OG-CB 3.49Å; S267-Q270 WeakPolarHBondContact OG-CG 3.4Å; S267-Q270 PolarHBondContact OG-N 3.2Å; S267-Q270 VanDerWaalsContact OG-N 3.14Å; S267-Q270 PolarHBondContact OG-OE1 2.95Å; Q270-Y272 VanDerWaalsContact C-N 3.33Å; Q270-Y272 PolarHBondContact O-N 2.95Å; Q270-C273 CarbonylContact O-C 3.41Å; Q270-C273 PolarHBondContact O-N 2.88Å; Q270-C273 VanDerWaalsContact O-N 3.11Å; Q270-E274 WeakPolarHBondContact O-CB 3.29Å; Q270-E274 VanDerWaalsContact O-CG 3.31Å; Q270-E274 WeakPolarHBondContact O-CG 3.33Å; Q270-E274 PolarHBondContact O-N 3.45Å |
| 271 | I | 72.5 | Confident | 68.1 | Low | 19 Ų | 19 | 90.4 Ų | 90.4 | 10% | 0.097 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -68.5 | -31.7 | -175.8 | -71 | 163 | 0 | 0 | 0 | 112.2 | L260 F262 P263 L266 S267 P268 L269 A275 | L260-I271 HydrophobicContact CB-CG2 4.42Å; L260-I271 HydrophobicContact CD1-CG2 4.1Å; F262-I271 HydrophobicContact CB-CD1 4.07Å; F262-I271 HydrophobicContact CD1-CB 4.23Å; F262-I271 HydrophobicContact CD1-CD1 3.7Å; F262-I271 HydrophobicContact CD1-CG2 4.09Å; F262-I271 HydrophobicContact CE1-CG2 4.26Å; F262-I271 HydrophobicContact CG-CD1 4.38Å; P263-I271 HydrophobicContact CG-CD1 4.35Å; L266-I271 HydrophobicContact CB-CD1 3.74Å; L266-I271 HydrophobicContact CB-CG1 4.04Å; L266-I271 HydrophobicContact CD1-CD1 4.38Å; L266-I271 HydrophobicContact CD1-CG1 4.18Å; S267-I271 PolarHBondContact O-N 3Å; S267-I271 VanDerWaalsContact O-N 3.14Å; P268-I271 PolarHBondContact O-N 3.49Å; L269-I271 VanDerWaalsContact C-N 3.26Å; L269-I271 PolarHBondContact O-N 2.98Å; I271-A275 VanDerWaalsContact O-CB 3.28Å; I271-A275 WeakPolarHBondContact O-CB 3.46Å; I271-A275 PolarHBondContact O-N 3.03Å; I271-A275 VanDerWaalsContact O-N 3.15Å |
| 272 | Y | 70.3 | Confident | 69.3 | Low | 78 Ų | 78 | 85.5 Ų | 85.5 | 31% | 0.306 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.2 | -39.9 | 168.4 | -76.7 | -65 | 0 | 0 | 0 | 112.6 | F257 L260 F262 P268 L269 Q270 A275 E276 | F257-Y272 HydrophobicContact CD1-CE1 4.47Å; L260-Y272 HydrophobicContact CD1-CD1 4.24Å; L260-Y272 HydrophobicContact CD1-CE1 3.96Å; F262-Y272 HydrophobicContact CE1-CE2 4.43Å; F262-Y272 HydrophobicContact CZ-CE2 4.44Å; P268-Y272 WeakPolarHBondContact O-CD2 3.3Å; P268-Y272 PolarHBondContact O-N 2.88Å; P268-Y272 VanDerWaalsContact O-N 3.12Å; L269-Y272 PolarHBondContact O-N 2.84Å; Q270-Y272 VanDerWaalsContact C-N 3.33Å; Q270-Y272 PolarHBondContact O-N 2.95Å; Y272-A275 PolarHBondContact O-N 3.44Å; Y272-E276 WeakPolarHBondContact O-CG 3.47Å; Y272-E276 PolarHBondContact O-N 3.39Å; Y272-E276 VanDerWaalsContact O-N 3.12Å |
| 273 | C | 71.3 | Confident | 70.4 | Confident | 27 Ų | 27 | 82.1 Ų | 82.1 | 18% | 0.182 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -64.2 | -46 | 176 | -67.8 | 0 | 0 | 0 | 0 | 112 | L269 Q270 A275 E276 G277 V278 | L269-C273 PolarHBondContact O-N 2.86Å; L269-C273 PolarHBondContact O-SG 3.39Å; Q270-C273 CarbonylContact O-C 3.41Å; Q270-C273 PolarHBondContact O-N 2.88Å; Q270-C273 VanDerWaalsContact O-N 3.11Å; C273-A275 VanDerWaalsContact C-N 3.32Å; C273-A275 PolarHBondContact O-N 3.26Å; C273-E276 CarbonylContact O-C 3.56Å; C273-E276 PolarHBondContact O-N 3.36Å; C273-E276 VanDerWaalsContact O-N 3.12Å; C273-G277 PolarHBondContact O-N 3.07Å; C273-G277 VanDerWaalsContact O-N 3.1Å; C273-V278 CarbonylContact C-O 3.43Å; C273-V278 HydrophobicContact CB-CB 4.23Å; C273-V278 WeakPolarHBondContact CB-O 3.4Å; C273-V278 WeakPolarHBondContact O-CA 3.41Å; C273-V278 PolarHBondContact O-N 3.32Å |
| 274 | E | 72.9 | Confident | 71.3 | Confident | 90 Ų | 90 | 82.2 Ų | 82.2 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 174.5 | -73.9 | 169.6 | -160.4 | 0 | 0 | 111.8 | Q270 E276 G277 | Q270-E274 WeakPolarHBondContact O-CB 3.29Å; Q270-E274 VanDerWaalsContact O-CG 3.31Å; Q270-E274 WeakPolarHBondContact O-CG 3.33Å; Q270-E274 PolarHBondContact O-N 3.45Å; E274-E276 VanDerWaalsContact C-N 3.31Å; E274-E276 PolarHBondContact O-N 3.05Å; E274-G277 PolarHBondContact O-N 3.4Å |
| 275 | A | 72.4 | Confident | 72.8 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 59% | 0.587 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.4 | -29.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I271 Y272 C273 G277 | I271-A275 VanDerWaalsContact O-CB 3.28Å; I271-A275 WeakPolarHBondContact O-CB 3.46Å; I271-A275 PolarHBondContact O-N 3.03Å; I271-A275 VanDerWaalsContact O-N 3.15Å; Y272-A275 PolarHBondContact O-N 3.44Å; C273-A275 VanDerWaalsContact C-N 3.32Å; C273-A275 PolarHBondContact O-N 3.26Å; A275-G277 VanDerWaalsContact C-N 3.3Å |
| 276 | E | 73.1 | Confident | 74.1 | Confident | 162 Ų | 162 | 76.1 Ų | 76.1 | 76% | 0.757 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 3.6 | 170.3 | -65 | -69 | 147.7 | 0 | 0 | 112.7 | Y272 C273 E274 V278 | Y272-E276 WeakPolarHBondContact O-CG 3.47Å; Y272-E276 PolarHBondContact O-N 3.39Å; Y272-E276 VanDerWaalsContact O-N 3.12Å; C273-E276 CarbonylContact O-C 3.56Å; C273-E276 PolarHBondContact O-N 3.36Å; C273-E276 VanDerWaalsContact O-N 3.12Å; E274-E276 VanDerWaalsContact C-N 3.31Å; E274-E276 PolarHBondContact O-N 3.05Å; E276-V278 HydrophobicContact CB-CG2 4.34Å |
| 277 | G | 71.9 | Confident | 75.2 | Confident | 61 Ų | 61 | 73.9 Ų | 73.9 | 63% | 0.629 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 14 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C273 E274 A275 | C273-G277 PolarHBondContact O-N 3.07Å; C273-G277 VanDerWaalsContact O-N 3.1Å; E274-G277 PolarHBondContact O-N 3.4Å; A275-G277 VanDerWaalsContact C-N 3.3Å |
| 278 | V | 69.9 | Low | 76.4 | Confident | 65 Ų | 65 | 77.5 Ų | 77.5 | 39% | 0.394 | 43% | 0.427 | S | S | . | . | trans | -99.7 | 91 | -176.5 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | C273 E276 I281 | C273-V278 CarbonylContact C-O 3.43Å; C273-V278 HydrophobicContact CB-CB 4.23Å; C273-V278 WeakPolarHBondContact CB-O 3.4Å; C273-V278 WeakPolarHBondContact O-CA 3.41Å; C273-V278 PolarHBondContact O-N 3.32Å; E276-V278 HydrophobicContact CB-CG2 4.34Å; V278-I281 HydrophobicContact CG1-CD1 3.94Å; V278-I281 HydrophobicContact CG1-CG1 3.51Å | ||
| 279 | T | 65.2 | Low | 77.5 | Confident | 109 Ų | 109 | 79.3 Ų | 79.3 | 67% | 0.669 | 43% | 0.429 | S | S | * | . | trans | -86.2 | -38.8 | -179.7 | 60 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 280 | D | 69.5 | Low | 78.7 | Confident | 129 Ų | 129 | 74.6 Ų | 74.6 | 69% | 0.69 | 40% | 0.404 | S | S | * | . | trans | -126.4 | 93.3 | -170.4 | -68.6 | -84.4 | 0 | 0 | 0 | 111.9 | V282 | D280-V282 VanDerWaalsContact C-N 3.33Å; D280-V282 PolarHBondContact O-N 3.26Å | ||
| 281 | I | 74.7 | Confident | 79.8 | Confident | 94 Ų | 94 | 73.2 Ų | 73.2 | 48% | 0.482 | 40% | 0.399 | S | S | . | . | trans | -82.3 | 78.9 | 176.1 | -55.4 | -177.7 | 0 | 0 | 0 | 109.7 | V278 I283 L286 | V278-I281 HydrophobicContact CG1-CD1 3.94Å; V278-I281 HydrophobicContact CG1-CG1 3.51Å; I281-I283 PolarHBondContact O-N 3.24Å; I281-I283 VanDerWaalsContact O-N 3.08Å; I281-L286 HydrophobicContact CG2-CD1 3.76Å | ||
| 282 | V | 83.7 | Confident | 80.7 | Confident | 61 Ų | 61 | 77.4 Ų | 77.4 | 37% | 0.37 | 42% | 0.42 | S | S | . | . | trans | -75.2 | 97 | 175.1 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | D280 T284 E285 L286 | D280-V282 VanDerWaalsContact C-N 3.33Å; D280-V282 PolarHBondContact O-N 3.26Å; V282-T284 VanDerWaalsContact C-N 3.27Å; V282-T284 PolarHBondContact O-N 3.31Å; V282-E285 HydrophobicContact CB-CB 4.21Å; V282-E285 HydrophobicContact CB-CG 4.07Å; V282-E285 HydrophobicContact CG1-CB 4.3Å; V282-E285 HydrophobicContact CG1-CG 3.88Å; V282-E285 WeakPolarHBondContact O-CB 3.4Å; V282-E285 PolarHBondContact O-N 3.15Å; V282-L286 PolarHBondContact O-N 3.17Å | ||
| 283 | I | 86.1 | Confident | 81.6 | Confident | 21 Ų | 21 | 77.8 Ų | 77.8 | 11% | 0.108 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -54.9 | -41.2 | -177 | -64.3 | -177.3 | 0 | 0 | 0 | 112.1 | I281 E285 L286 L287 L314 A317 E318 L321 | I281-I283 PolarHBondContact O-N 3.24Å; I281-I283 VanDerWaalsContact O-N 3.08Å; I283-E285 PolarHBondContact O-N 2.91Å; I283-L286 PolarHBondContact O-N 3.32Å; I283-L286 VanDerWaalsContact O-N 3.09Å; I283-L287 HydrophobicContact CG2-CD1 3.92Å; I283-L287 HydrophobicContact CG2-CG 4.18Å; I283-L287 WeakPolarHBondContact O-CG 3.28Å; I283-L287 PolarHBondContact O-N 3.43Å; I283-L314 HydrophobicContact CG1-CD2 4.31Å; I283-L314 HydrophobicContact CG2-CB 4.05Å; I283-L314 HydrophobicContact CG2-CD2 4.12Å; I283-A317 HydrophobicContact CD1-CB 3.87Å; I283-E318 HydrophobicContact CG2-CB 4.07Å; I283-L321 HydrophobicContact CD1-CD1 3.68Å |
| 284 | T | 86.6 | Confident | 82.2 | Confident | 64 Ų | 64 | 78.6 Ų | 78.6 | 39% | 0.393 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.2 | -20.7 | 177.7 | 65.1 | 0 | 0 | 0 | 0 | 113.7 | V282 K288 E318 | V282-T284 VanDerWaalsContact C-N 3.27Å; V282-T284 PolarHBondContact O-N 3.31Å; T284-K288 WeakPolarHBondContact O-CD 3.42Å; T284-K288 VanDerWaalsContact O-CE 3.28Å; T284-K288 WeakPolarHBondContact O-CE 3.45Å; T284-K288 WeakPolarHBondContact O-CG 3.46Å; T284-K288 PolarHBondContact O-N 2.77Å; T284-E318 WeakPolarHBondContact CG2-OE1 3.5Å |
| 285 | E | 89.6 | Confident | 82.8 | Confident | 92 Ų | 92 | 81 Ų | 81 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -83.8 | -37.9 | 170.4 | -72.4 | -166.4 | -168.5 | 0 | 0 | 112.6 | V282 I283 L287 K288 K289 | V282-E285 HydrophobicContact CB-CB 4.21Å; V282-E285 HydrophobicContact CB-CG 4.07Å; V282-E285 HydrophobicContact CG1-CB 4.3Å; V282-E285 HydrophobicContact CG1-CG 3.88Å; V282-E285 WeakPolarHBondContact O-CB 3.4Å; V282-E285 PolarHBondContact O-N 3.15Å; I283-E285 PolarHBondContact O-N 2.91Å; E285-L287 VanDerWaalsContact C-N 3.34Å; E285-K288 PolarHBondContact O-N 3.35Å; E285-K289 WeakPolarHBondContact O-CB 3.41Å; E285-K289 WeakPolarHBondContact O-CD 3.42Å; E285-K289 VanDerWaalsContact O-CG 3.26Å; E285-K289 WeakPolarHBondContact O-CG 3.37Å; E285-K289 PolarHBondContact O-N 2.82Å; E285-K289 IonicContact OE2-NZ 2.75Å; E285-K289 PolarHBondContact OE2-NZ 3.22Å |
| 286 | L | 89.9 | Confident | 82.9 | Confident | 65 Ų | 65 | 83.7 Ų | 83.7 | 34% | 0.34 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 176.2 | -66 | -178.2 | 0 | 0 | 0 | 111.2 | I281 V282 I283 K289 L290 L314 | I281-L286 HydrophobicContact CG2-CD1 3.76Å; V282-L286 PolarHBondContact O-N 3.17Å; I283-L286 PolarHBondContact O-N 3.32Å; I283-L286 VanDerWaalsContact O-N 3.09Å; L286-K289 HydrophobicContact CD2-CD 4.37Å; L286-K289 PolarHBondContact O-N 3.07Å; L286-L290 WeakPolarHBondContact O-CG 3.27Å; L286-L290 PolarHBondContact O-N 3.29Å; L286-L314 HydrophobicContact CB-CD1 3.65Å; L286-L314 HydrophobicContact CB-CD2 4.44Å; L286-L314 HydrophobicContact CD1-CD2 4.11Å |
| 287 | L | 90.3 | Very high | 83.1 | Confident | 18 Ų | 18 | 77.9 Ų | 77.9 | 9% | 0.094 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 171.7 | -72.6 | 172 | 0 | 0 | 0 | 111.3 | I283 E285 K289 L290 D291 R311 L314 E318 | I283-L287 HydrophobicContact CG2-CD1 3.92Å; I283-L287 HydrophobicContact CG2-CG 4.18Å; I283-L287 WeakPolarHBondContact O-CG 3.28Å; I283-L287 PolarHBondContact O-N 3.43Å; E285-L287 VanDerWaalsContact C-N 3.34Å; L287-K289 VanDerWaalsContact C-N 3.3Å; L287-K289 PolarHBondContact O-N 3.08Å; L287-L290 PolarHBondContact O-N 2.75Å; L287-L290 VanDerWaalsContact O-N 3.11Å; L287-D291 PolarHBondContact O-N 3.03Å; L287-R311 HydrophobicContact CD2-CG 3.92Å; L287-L314 HydrophobicContact CD2-CB 3.67Å; L287-L314 HydrophobicContact CD2-CD1 4.32Å; L287-L314 HydrophobicContact CG-CB 4.08Å; L287-E318 WeakPolarHBondContact CD1-OE2 3.43Å |
| 288 | K | 92.1 | Very high | 83.6 | Confident | 122 Ų | 122 | 83.5 Ų | 83.5 | 53% | 0.53 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.5 | -40.4 | 174.8 | -71 | 163.4 | -165.6 | 157.9 | 0 | 112.7 | T284 E285 D291 I292 | T284-K288 WeakPolarHBondContact O-CD 3.42Å; T284-K288 VanDerWaalsContact O-CE 3.28Å; T284-K288 WeakPolarHBondContact O-CE 3.45Å; T284-K288 WeakPolarHBondContact O-CG 3.46Å; T284-K288 PolarHBondContact O-N 2.77Å; E285-K288 PolarHBondContact O-N 3.35Å; K288-D291 PolarHBondContact O-N 2.73Å; K288-I292 WeakPolarHBondContact O-CB 3.3Å; K288-I292 WeakPolarHBondContact O-CD1 3.32Å; K288-I292 VanDerWaalsContact O-CG1 3.23Å; K288-I292 WeakPolarHBondContact O-CG1 3.45Å; K288-I292 PolarHBondContact O-N 3.02Å |
| 289 | K | 91.1 | Very high | 84.5 | Confident | 107 Ų | 107 | 82 Ų | 82 | 47% | 0.465 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 177.2 | -73.6 | 158.8 | -176.9 | 154.9 | 0 | 111.2 | E285 L286 L287 L293 | E285-K289 WeakPolarHBondContact O-CB 3.41Å; E285-K289 WeakPolarHBondContact O-CD 3.42Å; E285-K289 VanDerWaalsContact O-CG 3.26Å; E285-K289 WeakPolarHBondContact O-CG 3.37Å; E285-K289 PolarHBondContact O-N 2.82Å; E285-K289 IonicContact OE2-NZ 2.75Å; E285-K289 PolarHBondContact OE2-NZ 3.22Å; L286-K289 HydrophobicContact CD2-CD 4.37Å; L286-K289 PolarHBondContact O-N 3.07Å; L287-K289 VanDerWaalsContact C-N 3.3Å; L287-K289 PolarHBondContact O-N 3.08Å; K289-L293 WeakPolarHBondContact O-CD1 3.45Å; K289-L293 VanDerWaalsContact O-CG 3.27Å; K289-L293 WeakPolarHBondContact O-CG 3.42Å; K289-L293 PolarHBondContact O-N 2.96Å; K289-L293 VanDerWaalsContact O-N 3.11Å |
| 290 | L | 92.4 | Very high | 85.7 | Confident | 27 Ų | 27 | 79.5 Ų | 79.5 | 14% | 0.141 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -70.9 | -39.2 | 174.6 | -70.3 | 177.4 | 0 | 0 | 0 | 113.2 | L286 L287 L293 G294 V307 A310 R311 L314 | L286-L290 WeakPolarHBondContact O-CG 3.27Å; L286-L290 PolarHBondContact O-N 3.29Å; L287-L290 PolarHBondContact O-N 2.75Å; L287-L290 VanDerWaalsContact O-N 3.11Å; L290-L293 PolarHBondContact O-N 3.05Å; L290-G294 PolarHBondContact O-N 3.03Å; L290-V307 HydrophobicContact CB-CG1 4.41Å; L290-V307 HydrophobicContact CD2-CG1 4.29Å; L290-V307 HydrophobicContact CD2-CG2 4.41Å; L290-A310 HydrophobicContact CD1-CB 3.79Å; L290-A310 HydrophobicContact CD2-CB 4.37Å; L290-R311 HydrophobicContact CD1-CB 4.11Å; L290-L314 HydrophobicContact CD1-CD1 3.68Å |
| 291 | D | 90.3 | Very high | 86.7 | Confident | 55 Ų | 55 | 79.3 Ų | 79.3 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 175 | -69.6 | -33.3 | 0 | 0 | 0 | 110.3 | L287 K288 L293 G294 D295 R311 | L287-D291 PolarHBondContact O-N 3.03Å; K288-D291 PolarHBondContact O-N 2.73Å; D291-L293 VanDerWaalsContact C-N 3.3Å; D291-L293 PolarHBondContact O-N 2.92Å; D291-G294 PolarHBondContact O-N 3.36Å; D291-G294 VanDerWaalsContact O-N 3.15Å; D291-D295 PolarHBondContact O-N 2.96Å; D291-R311 IonicContact OD1-CZ 2.77Å; D291-R311 IonicContact OD1-NE 2.67Å; D291-R311 PolarHBondContact OD1-NE 3.39Å; D291-R311 IonicContact OD1-NH2 2.9Å; D291-R311 PolarHBondContact OD1-NH2 3.23Å; D291-R311 IonicContact OD2-NH2 2.99Å |
| 292 | I | 90.9 | Very high | 87.5 | Confident | 107 Ų | 107 | 82.5 Ų | 82.5 | 55% | 0.549 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59 | -40.1 | 175.6 | -69 | 164.9 | 0 | 0 | 0 | 111.8 | K288 N296 | K288-I292 WeakPolarHBondContact O-CB 3.3Å; K288-I292 WeakPolarHBondContact O-CD1 3.32Å; K288-I292 VanDerWaalsContact O-CG1 3.23Å; K288-I292 WeakPolarHBondContact O-CG1 3.45Å; K288-I292 PolarHBondContact O-N 3.02Å; I292-N296 WeakPolarHBondContact O-CB 3.42Å; I292-N296 PolarHBondContact O-N 3.02Å; I292-N296 PolarHBondContact O-ND2 3.47Å |
| 293 | L | 89.6 | Confident | 87.8 | Confident | 86 Ų | 86 | 84.3 Ų | 84.3 | 45% | 0.45 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.4 | -39 | 176.4 | -76.5 | 166.6 | 0 | 0 | 0 | 112.5 | K289 L290 D291 A297 | K289-L293 WeakPolarHBondContact O-CD1 3.45Å; K289-L293 VanDerWaalsContact O-CG 3.27Å; K289-L293 WeakPolarHBondContact O-CG 3.42Å; K289-L293 PolarHBondContact O-N 2.96Å; K289-L293 VanDerWaalsContact O-N 3.11Å; L290-L293 PolarHBondContact O-N 3.05Å; D291-L293 VanDerWaalsContact C-N 3.3Å; D291-L293 PolarHBondContact O-N 2.92Å; L293-A297 WeakPolarHBondContact O-CB 3.48Å; L293-A297 PolarHBondContact O-N 2.77Å |
| 294 | G | 84.8 | Confident | 87.9 | Confident | 45 Ų | 45 | 87.6 Ų | 87.6 | 46% | 0.464 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L290 D291 | L290-G294 PolarHBondContact O-N 3.03Å; D291-G294 PolarHBondContact O-N 3.36Å; D291-G294 VanDerWaalsContact O-N 3.15Å |
| 295 | D | 84.1 | Confident | 88.1 | Confident | 140 Ų | 140 | 88.1 Ų | 88.1 | 75% | 0.749 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -79.7 | -25.9 | -176.7 | -74.1 | -17.4 | 0 | 0 | 0 | 114.2 | D291 | D291-D295 PolarHBondContact O-N 2.96Å |
| 296 | N | 75.8 | Confident | 88.2 | Confident | 127 Ų | 127 | 88.1 Ų | 88.1 | 68% | 0.679 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -124.2 | -4.4 | -164 | -61.2 | -90.7 | 0 | 0 | 0 | 116.2 | I292 | I292-N296 WeakPolarHBondContact O-CB 3.42Å; I292-N296 PolarHBondContact O-N 3.02Å; I292-N296 PolarHBondContact O-ND2 3.47Å |
| 297 | A | 77 | Confident | 88.2 | Confident | 40 Ų | 40 | 86.1 Ų | 86.1 | 33% | 0.331 | 46% | 0.464 | S | S | . | . | trans | -112.5 | 140.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L293 L299 | L293-A297 WeakPolarHBondContact O-CB 3.48Å; L293-A297 PolarHBondContact O-N 2.77Å; A297-L299 HydrophobicContact CB-CD2 3.79Å; A297-L299 HydrophobicContact CB-CG 3.84Å; A297-L299 PolarHBondContact O-N 3.35Å | ||
| 298 | N | 82.9 | Confident | 88.2 | Confident | 180 Ų | 180 | 90.2 Ų | 90.2 | 96% | 0.963 | 49% | 0.485 | S | S | * | . | trans | -75.3 | 62.7 | 170.1 | -77.1 | 2.8 | 0 | 0 | 0 | 110.7 | ||||
| 299 | L | 88.2 | Confident | 88.2 | Confident | 34 Ų | 34 | 90.1 Ų | 90.1 | 18% | 0.178 | 49% | 0.486 | C | S | . | . | trans | -68.8 | 139.5 | 178.1 | -59.8 | 179.3 | 0 | 0 | 0 | 110.9 | A297 E303 Q304 V307 | A297-L299 HydrophobicContact CB-CD2 3.79Å; A297-L299 HydrophobicContact CB-CG 3.84Å; A297-L299 PolarHBondContact O-N 3.35Å; L299-E303 HydrophobicContact CB-CB 3.99Å; L299-E303 HydrophobicContact CD2-CB 4.18Å; L299-Q304 HydrophobicContact CB-CG 3.66Å; L299-Q304 HydrophobicContact CD1-CG 4.37Å; L299-Q304 PolarHBondContact O-NE2 2.76Å; L299-V307 HydrophobicContact CD1-CG2 3.92Å | ||
| 300 | S | 90.9 | Very high | 88.2 | Confident | 56 Ų | 56 | 86.8 Ų | 86.8 | 39% | 0.392 | 48% | 0.479 | S | S | . | . | trans | -66.8 | 163.2 | 165.9 | 68.7 | 0 | 0 | 0 | 0 | 111.5 | E302 E303 Q304 | S300-E302 PolarHBondContact O-N 3.34Å; S300-E303 WeakPolarHBondContact CB-OE2 3.29Å; S300-E303 PolarHBondContact N-OE2 3.29Å; S300-E303 PolarHBondContact O-N 2.93Å; S300-E303 VanDerWaalsContact O-N 3.08Å; S300-E303 WeakPolarHBondContact OG-CG 3.34Å; S300-E303 PolarHBondContact OG-OE2 2.97Å; S300-Q304 WeakPolarHBondContact O-CG 3.29Å; S300-Q304 PolarHBondContact O-N 3.01Å | ||
| 301 | N | 90.6 | Very high | 88.3 | Confident | 125 Ų | 125 | 90.7 Ų | 90.7 | 67% | 0.668 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -57.3 | -34.6 | -178.6 | -63.2 | -3 | 0 | 0 | 0 | 112.8 | V305 | N301-V305 WeakPolarHBondContact O-CB 3.18Å; N301-V305 VanDerWaalsContact O-CG2 3.25Å; N301-V305 WeakPolarHBondContact O-CG2 3.45Å; N301-V305 PolarHBondContact O-N 3.43Å |
| 302 | E | 91.4 | Very high | 88.5 | Confident | 161 Ų | 161 | 91.7 Ų | 91.7 | 75% | 0.752 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.5 | -38.2 | 178.1 | -62.6 | -176 | 172.9 | 0 | 0 | 111.7 | S300 T306 | S300-E302 PolarHBondContact O-N 3.34Å; E302-T306 WeakPolarHBondContact O-CB 3.32Å; E302-T306 PolarHBondContact O-N 3.18Å; E302-T306 PolarHBondContact O-OG1 2.8Å |
| 303 | E | 88.7 | Confident | 88.7 | Confident | 98 Ų | 98 | 91.3 Ų | 91.3 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 174.9 | -68.4 | 164.1 | 122.1 | 0 | 0 | 111.6 | L299 S300 T306 V307 | L299-E303 HydrophobicContact CB-CB 3.99Å; L299-E303 HydrophobicContact CD2-CB 4.18Å; S300-E303 WeakPolarHBondContact CB-OE2 3.29Å; S300-E303 PolarHBondContact N-OE2 3.29Å; S300-E303 PolarHBondContact O-N 2.93Å; S300-E303 VanDerWaalsContact O-N 3.08Å; S300-E303 WeakPolarHBondContact OG-CG 3.34Å; S300-E303 PolarHBondContact OG-OE2 2.97Å; E303-T306 WeakPolarHBondContact O-CB 3.49Å; E303-T306 PolarHBondContact O-N 2.67Å; E303-T306 VanDerWaalsContact O-N 3.14Å; E303-V307 WeakPolarHBondContact O-CG2 3.34Å; E303-V307 PolarHBondContact O-N 2.88Å |
| 304 | Q | 88.6 | Confident | 88.8 | Confident | 90 Ų | 90 | 88.6 Ų | 88.6 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 173.3 | -67.8 | 174.6 | 29.8 | 0 | 0 | 111.3 | L299 S300 T306 V307 I308 | L299-Q304 HydrophobicContact CB-CG 3.66Å; L299-Q304 HydrophobicContact CD1-CG 4.37Å; L299-Q304 PolarHBondContact O-NE2 2.76Å; S300-Q304 WeakPolarHBondContact O-CG 3.29Å; S300-Q304 PolarHBondContact O-N 3.01Å; Q304-T306 VanDerWaalsContact C-N 3.26Å; Q304-T306 PolarHBondContact O-N 3.42Å; Q304-V307 PolarHBondContact O-N 3.47Å; Q304-I308 VanDerWaalsContact O-CG1 3.31Å; Q304-I308 WeakPolarHBondContact O-CG1 3.35Å; Q304-I308 PolarHBondContact O-N 2.84Å |
| 305 | V | 91.3 | Very high | 89.2 | Confident | 75 Ų | 75 | 88.5 Ų | 88.5 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.7 | -36.5 | 174.9 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | N301 H309 | N301-V305 WeakPolarHBondContact O-CB 3.18Å; N301-V305 VanDerWaalsContact O-CG2 3.25Å; N301-V305 WeakPolarHBondContact O-CG2 3.45Å; N301-V305 PolarHBondContact O-N 3.43Å; V305-H309 WeakPolarHBondContact CG1-ND1 3.49Å; V305-H309 PolarHBondContact O-N 2.76Å; V305-H309 VanDerWaalsContact O-N 3.08Å; V305-H309 PolarHBondContact O-ND1 3.21Å |
| 306 | T | 90.9 | Very high | 89.7 | Confident | 92 Ų | 92 | 86.5 Ų | 86.5 | 56% | 0.564 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68 | -43.9 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | E302 E303 Q304 I308 H309 A310 | E302-T306 WeakPolarHBondContact O-CB 3.32Å; E302-T306 PolarHBondContact O-N 3.18Å; E302-T306 PolarHBondContact O-OG1 2.8Å; E303-T306 WeakPolarHBondContact O-CB 3.49Å; E303-T306 PolarHBondContact O-N 2.67Å; E303-T306 VanDerWaalsContact O-N 3.14Å; Q304-T306 VanDerWaalsContact C-N 3.26Å; Q304-T306 PolarHBondContact O-N 3.42Å; T306-I308 PolarHBondContact O-N 3.34Å; T306-H309 PolarHBondContact O-N 3.36Å; T306-A310 WeakPolarHBondContact O-CB 3.33Å; T306-A310 PolarHBondContact O-N 3.46Å |
| 307 | V | 90.1 | Very high | 90.4 | Very high | 23 Ų | 23 | 82.3 Ų | 82.3 | 14% | 0.139 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.2 | 167.7 | 0 | 0 | 0 | 0 | 111.3 | L290 L299 E303 Q304 A310 R311 | L290-V307 HydrophobicContact CB-CG1 4.41Å; L290-V307 HydrophobicContact CD2-CG1 4.29Å; L290-V307 HydrophobicContact CD2-CG2 4.41Å; L299-V307 HydrophobicContact CD1-CG2 3.92Å; E303-V307 WeakPolarHBondContact O-CG2 3.34Å; E303-V307 PolarHBondContact O-N 2.88Å; Q304-V307 PolarHBondContact O-N 3.47Å; V307-A310 PolarHBondContact O-N 2.91Å; V307-R311 VanDerWaalsContact O-CB 3.27Å; V307-R311 WeakPolarHBondContact O-CB 3.46Å; V307-R311 PolarHBondContact O-N 3.25Å |
| 308 | I | 90.9 | Very high | 90.9 | Very high | 104 Ų | 104 | 83.5 Ų | 83.5 | 53% | 0.533 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 177.4 | -69 | 165.2 | 0 | 0 | 0 | 111.5 | Q304 T306 R311 T312 | Q304-I308 VanDerWaalsContact O-CG1 3.31Å; Q304-I308 WeakPolarHBondContact O-CG1 3.35Å; Q304-I308 PolarHBondContact O-N 2.84Å; T306-I308 PolarHBondContact O-N 3.34Å; I308-R311 PolarHBondContact O-N 3.47Å; I308-T312 PolarHBondContact O-N 3.15Å; I308-T312 PolarHBondContact O-OG1 2.97Å |
| 309 | H | 92.1 | Very high | 91.4 | Very high | 120 Ų | 120 | 81 Ų | 81 | 56% | 0.556 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.1 | -47.4 | 175.8 | -76.7 | 107.5 | 0 | 0 | 0 | 112.1 | V305 T306 R311 T312 V313 | V305-H309 WeakPolarHBondContact CG1-ND1 3.49Å; V305-H309 PolarHBondContact O-N 2.76Å; V305-H309 VanDerWaalsContact O-N 3.08Å; V305-H309 PolarHBondContact O-ND1 3.21Å; T306-H309 PolarHBondContact O-N 3.36Å; H309-R311 VanDerWaalsContact C-N 3.29Å; H309-R311 PolarHBondContact O-N 2.85Å; H309-T312 PolarHBondContact O-N 3.42Å; H309-T312 VanDerWaalsContact O-N 3.16Å; H309-V313 WeakPolarHBondContact O-CG2 3.25Å; H309-V313 PolarHBondContact O-N 2.78Å |
| 310 | A | 91.5 | Very high | 91.7 | Very high | 38 Ų | 38 | 88.3 Ų | 88.3 | 31% | 0.314 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L290 T306 V307 V313 L314 | L290-A310 HydrophobicContact CD1-CB 3.79Å; L290-A310 HydrophobicContact CD2-CB 4.37Å; T306-A310 WeakPolarHBondContact O-CB 3.33Å; T306-A310 PolarHBondContact O-N 3.46Å; V307-A310 PolarHBondContact O-N 2.91Å; A310-V313 PolarHBondContact O-N 3.45Å; A310-L314 WeakPolarHBondContact O-CG 3.42Å; A310-L314 PolarHBondContact O-N 3.35Å |
| 311 | R | 93.1 | Very high | 91.7 | Very high | 109 Ų | 109 | 90.4 Ų | 90.4 | 41% | 0.411 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 175.4 | -169.1 | -176.7 | -164.9 | -84.7 | -3.2 | 111.8 | L287 L290 D291 V307 I308 H309 L314 T315 | L287-R311 HydrophobicContact CD2-CG 3.92Å; L290-R311 HydrophobicContact CD1-CB 4.11Å; D291-R311 IonicContact OD1-CZ 2.77Å; D291-R311 IonicContact OD1-NE 2.67Å; D291-R311 PolarHBondContact OD1-NE 3.39Å; D291-R311 IonicContact OD1-NH2 2.9Å; D291-R311 PolarHBondContact OD1-NH2 3.23Å; D291-R311 IonicContact OD2-NH2 2.99Å; V307-R311 VanDerWaalsContact O-CB 3.27Å; V307-R311 WeakPolarHBondContact O-CB 3.46Å; V307-R311 PolarHBondContact O-N 3.25Å; I308-R311 PolarHBondContact O-N 3.47Å; H309-R311 VanDerWaalsContact C-N 3.29Å; H309-R311 PolarHBondContact O-N 2.85Å; R311-L314 PolarHBondContact O-N 3.04Å; R311-T315 PolarHBondContact O-N 3.45Å; R311-T315 PolarHBondContact O-OG1 2.99Å; R311-T315 VanDerWaalsContact O-OG1 3.13Å |
| 312 | T | 95 | Very high | 91.7 | Very high | 76 Ų | 76 | 90.9 Ų | 90.9 | 47% | 0.466 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 178 | -62.2 | 0 | 0 | 0 | 0 | 112 | I308 H309 T315 L316 | I308-T312 PolarHBondContact O-N 3.15Å; I308-T312 PolarHBondContact O-OG1 2.97Å; H309-T312 PolarHBondContact O-N 3.42Å; H309-T312 VanDerWaalsContact O-N 3.16Å; T312-T315 PolarHBondContact O-N 3.03Å; T312-L316 HydrophobicContact CG2-CD1 4.23Å; T312-L316 WeakPolarHBondContact O-CG 3.42Å; T312-L316 PolarHBondContact O-N 2.8Å |
| 313 | V | 94.7 | Very high | 91.9 | Very high | 98 Ų | 98 | 86.5 Ų | 86.5 | 59% | 0.594 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 176 | 171 | 0 | 0 | 0 | 0 | 111.1 | H309 A310 L316 A317 | H309-V313 WeakPolarHBondContact O-CG2 3.25Å; H309-V313 PolarHBondContact O-N 2.78Å; A310-V313 PolarHBondContact O-N 3.45Å; V313-L316 PolarHBondContact O-N 3.37Å; V313-A317 WeakPolarHBondContact O-CB 3.39Å; V313-A317 PolarHBondContact O-N 2.92Å |
| 314 | L | 92.4 | Very high | 92.1 | Very high | 30 Ų | 30 | 85.8 Ų | 85.8 | 16% | 0.157 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 177.6 | -74.5 | 171.8 | 0 | 0 | 0 | 112.7 | I283 L286 L287 L290 A310 R311 L316 A317 E318 | I283-L314 HydrophobicContact CG1-CD2 4.31Å; I283-L314 HydrophobicContact CG2-CB 4.05Å; I283-L314 HydrophobicContact CG2-CD2 4.12Å; L286-L314 HydrophobicContact CB-CD1 3.65Å; L286-L314 HydrophobicContact CB-CD2 4.44Å; L286-L314 HydrophobicContact CD1-CD2 4.11Å; L287-L314 HydrophobicContact CD2-CB 3.67Å; L287-L314 HydrophobicContact CD2-CD1 4.32Å; L287-L314 HydrophobicContact CG-CB 4.08Å; L290-L314 HydrophobicContact CD1-CD1 3.68Å; A310-L314 WeakPolarHBondContact O-CG 3.42Å; A310-L314 PolarHBondContact O-N 3.35Å; R311-L314 PolarHBondContact O-N 3.04Å; L314-L316 VanDerWaalsContact C-N 3.28Å; L314-L316 PolarHBondContact O-N 3.08Å; L314-A317 PolarHBondContact O-N 3.1Å; L314-E318 WeakPolarHBondContact O-CB 3.37Å; L314-E318 PolarHBondContact O-N 2.94Å |
| 315 | T | 92.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 85.7 Ų | 85.7 | 26% | 0.258 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.8 | -29.7 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | R311 T312 K319 | R311-T315 PolarHBondContact O-N 3.45Å; R311-T315 PolarHBondContact O-OG1 2.99Å; R311-T315 VanDerWaalsContact O-OG1 3.13Å; T312-T315 PolarHBondContact O-N 3.03Å; T315-K319 WeakPolarHBondContact O-CG 3.3Å; T315-K319 PolarHBondContact O-N 3.39Å |
| 316 | L | 94.4 | Very high | 92.5 | Very high | 99 Ų | 99 | 86.7 Ų | 86.7 | 52% | 0.518 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -73.6 | -42.2 | 172.1 | -71.7 | 171.5 | 0 | 0 | 0 | 111.6 | T312 V313 L314 K319 W320 | T312-L316 HydrophobicContact CG2-CD1 4.23Å; T312-L316 WeakPolarHBondContact O-CG 3.42Å; T312-L316 PolarHBondContact O-N 2.8Å; V313-L316 PolarHBondContact O-N 3.37Å; L314-L316 VanDerWaalsContact C-N 3.28Å; L314-L316 PolarHBondContact O-N 3.08Å; L316-K319 PolarHBondContact O-N 3.2Å; L316-W320 PolarHBondContact O-N 3.14Å; L316-W320 VanDerWaalsContact O-N 3.08Å |
| 317 | A | 90.1 | Very high | 92.7 | Very high | 39 Ų | 39 | 85.9 Ų | 85.9 | 32% | 0.322 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I283 V313 L314 K319 W320 L321 | I283-A317 HydrophobicContact CD1-CB 3.87Å; V313-A317 WeakPolarHBondContact O-CB 3.39Å; V313-A317 PolarHBondContact O-N 2.92Å; L314-A317 PolarHBondContact O-N 3.1Å; A317-K319 PolarHBondContact O-N 3.14Å; A317-W320 PolarHBondContact O-N 3.28Å; A317-L321 WeakPolarHBondContact O-CG 3.34Å; A317-L321 PolarHBondContact O-N 3.4Å |
| 318 | E | 89.3 | Confident | 92.8 | Very high | 65 Ų | 65 | 89 Ų | 89 | 30% | 0.304 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.1 | -49.1 | 175.5 | -170.4 | 164.8 | -124.8 | 0 | 0 | 112 | I283 T284 L287 L314 W320 L321 E322 | I283-E318 HydrophobicContact CG2-CB 4.07Å; T284-E318 WeakPolarHBondContact CG2-OE1 3.5Å; L287-E318 WeakPolarHBondContact CD1-OE2 3.43Å; L314-E318 WeakPolarHBondContact O-CB 3.37Å; L314-E318 PolarHBondContact O-N 2.94Å; E318-W320 VanDerWaalsContact C-N 3.32Å; E318-W320 PolarHBondContact O-N 3.34Å; E318-L321 PolarHBondContact O-N 3.48Å; E318-E322 PolarHBondContact O-N 2.96Å |
| 319 | K | 92.8 | Very high | 93 | Very high | 128 Ų | 128 | 86.8 Ų | 86.8 | 56% | 0.557 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65 | -33.2 | 176.5 | -69.3 | 176.5 | 179.2 | -176 | 0 | 113.3 | T315 L316 A317 S323 | T315-K319 WeakPolarHBondContact O-CG 3.3Å; T315-K319 PolarHBondContact O-N 3.39Å; L316-K319 PolarHBondContact O-N 3.2Å; A317-K319 PolarHBondContact O-N 3.14Å; K319-S323 WeakPolarHBondContact O-CB 3.49Å; K319-S323 PolarHBondContact O-N 3.16Å; K319-S323 VanDerWaalsContact O-N 3.1Å |
| 320 | W | 94.8 | Very high | 93.2 | Very high | 187 Ų | 187 | 83.6 Ų | 83.6 | 71% | 0.708 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.3 | -42.2 | 173.5 | -94 | 84.8 | 0 | 0 | 0 | 111.7 | L316 A317 E318 S323 I324 | L316-W320 PolarHBondContact O-N 3.14Å; L316-W320 VanDerWaalsContact O-N 3.08Å; A317-W320 PolarHBondContact O-N 3.28Å; E318-W320 VanDerWaalsContact C-N 3.32Å; E318-W320 PolarHBondContact O-N 3.34Å; W320-S323 PolarHBondContact O-N 2.88Å; W320-I324 WeakPolarHBondContact O-CD1 3.41Å; W320-I324 VanDerWaalsContact O-CG1 3.24Å; W320-I324 WeakPolarHBondContact O-CG1 3.41Å; W320-I324 PolarHBondContact O-N 3.3Å |
| 321 | L | 89.5 | Confident | 93.3 | Very high | 100 Ų | 100 | 87 Ų | 87 | 52% | 0.524 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 175.3 | -69.8 | 179.3 | 0 | 0 | 0 | 112.3 | I283 A317 E318 S323 I324 E325 | I283-L321 HydrophobicContact CD1-CD1 3.68Å; A317-L321 WeakPolarHBondContact O-CG 3.34Å; A317-L321 PolarHBondContact O-N 3.4Å; E318-L321 PolarHBondContact O-N 3.48Å; L321-S323 PolarHBondContact O-N 3.04Å; L321-I324 PolarHBondContact O-N 3.05Å; L321-E325 PolarHBondContact O-N 3.31Å |
| 322 | E | 91.9 | Very high | 93.4 | Very high | 135 Ų | 135 | 87.1 Ų | 87.1 | 63% | 0.631 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58.6 | -46.8 | 174.1 | -175.3 | 177.8 | -151.8 | 0 | 0 | 111.4 | E318 I324 E325 V326 | E318-E322 PolarHBondContact O-N 2.96Å; E322-I324 VanDerWaalsContact C-N 3.34Å; E322-I324 PolarHBondContact O-N 2.94Å; E322-E325 PolarHBondContact O-N 3.44Å; E322-V326 WeakPolarHBondContact O-CG2 3.49Å; E322-V326 PolarHBondContact O-N 3.26Å |
| 323 | S | 95.1 | Very high | 93.5 | Very high | 69 Ų | 69 | 88.3 Ų | 88.3 | 48% | 0.483 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 174.7 | -173.2 | 0 | 0 | 0 | 0 | 112.9 | K319 W320 L321 T327 | K319-S323 WeakPolarHBondContact O-CB 3.49Å; K319-S323 PolarHBondContact O-N 3.16Å; K319-S323 VanDerWaalsContact O-N 3.1Å; W320-S323 PolarHBondContact O-N 2.88Å; L321-S323 PolarHBondContact O-N 3.04Å; S323-T327 WeakPolarHBondContact O-CG2 3.47Å; S323-T327 PolarHBondContact O-N 3.17Å; S323-T327 PolarHBondContact O-OG1 2.88Å |
| 324 | I | 92.9 | Very high | 93.6 | Very high | 83 Ų | 83 | 90 Ų | 90 | 43% | 0.426 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 175.5 | -72 | 163.7 | 0 | 0 | 0 | 111 | W320 L321 E322 T327 K328 | W320-I324 WeakPolarHBondContact O-CD1 3.41Å; W320-I324 VanDerWaalsContact O-CG1 3.24Å; W320-I324 WeakPolarHBondContact O-CG1 3.41Å; W320-I324 PolarHBondContact O-N 3.3Å; L321-I324 PolarHBondContact O-N 3.05Å; E322-I324 VanDerWaalsContact C-N 3.34Å; E322-I324 PolarHBondContact O-N 2.94Å; I324-T327 WeakPolarHBondContact CA-OG1 3.35Å; I324-T327 PolarHBondContact O-N 2.92Å; I324-T327 PolarHBondContact O-OG1 3.38Å; I324-K328 WeakPolarHBondContact O-CB 3.45Å; I324-K328 PolarHBondContact O-N 3.35Å |
| 325 | E | 92.9 | Very high | 93.8 | Very high | 87 Ų | 87 | 95 Ų | 95 | 41% | 0.407 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.1 | -35.5 | -179 | -165.6 | 59.1 | -144.7 | 0 | 0 | 112.2 | L321 E322 K328 S329 | L321-E325 PolarHBondContact O-N 3.31Å; E322-E325 PolarHBondContact O-N 3.44Å; E325-K328 IonicContact OE1-NZ 3.13Å; E325-K328 PolarHBondContact OE1-NZ 2.84Å; E325-K328 WeakPolarHBondContact OE2-CD 3.47Å; E325-K328 IonicContact OE2-NZ 2.7Å; E325-K328 PolarHBondContact OE2-NZ 3.23Å; E325-S329 WeakPolarHBondContact O-CB 3.48Å; E325-S329 PolarHBondContact O-N 3Å; E325-S329 PolarHBondContact O-OG 3.32Å |
| 326 | V | 96.1 | Very high | 94 | Very high | 97 Ų | 97 | 97.4 Ų | 97.4 | 59% | 0.588 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -46.9 | 171.4 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | E322 S329 A330 | E322-V326 WeakPolarHBondContact O-CG2 3.49Å; E322-V326 PolarHBondContact O-N 3.26Å; V326-S329 PolarHBondContact O-N 3.36Å; V326-A330 PolarHBondContact O-N 2.97Å |
| 327 | T | 93.7 | Very high | 94 | Very high | 74 Ų | 74 | 95.9 Ų | 95.9 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.4 | -37.6 | 179.1 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | S323 I324 A330 L331 | S323-T327 WeakPolarHBondContact O-CG2 3.47Å; S323-T327 PolarHBondContact O-N 3.17Å; S323-T327 PolarHBondContact O-OG1 2.88Å; I324-T327 WeakPolarHBondContact CA-OG1 3.35Å; I324-T327 PolarHBondContact O-N 2.92Å; I324-T327 PolarHBondContact O-OG1 3.38Å; T327-A330 PolarHBondContact O-N 3.4Å; T327-L331 WeakPolarHBondContact O-CB 3.44Å; T327-L331 WeakPolarHBondContact O-CG 3.41Å; T327-L331 PolarHBondContact O-N 2.81Å |
| 328 | K | 92.6 | Very high | 94.3 | Very high | 88 Ų | 88 | 98.9 Ų | 98.9 | 38% | 0.383 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 170.5 | 170.7 | 173.8 | 163.1 | -118 | 0 | 112 | I324 E325 A330 L331 Q332 | I324-K328 WeakPolarHBondContact O-CB 3.45Å; I324-K328 PolarHBondContact O-N 3.35Å; E325-K328 IonicContact OE1-NZ 3.13Å; E325-K328 PolarHBondContact OE1-NZ 2.84Å; E325-K328 WeakPolarHBondContact OE2-CD 3.47Å; E325-K328 IonicContact OE2-NZ 2.7Å; E325-K328 PolarHBondContact OE2-NZ 3.23Å; K328-A330 PolarHBondContact O-N 2.94Å; K328-L331 PolarHBondContact O-N 2.66Å; K328-Q332 WeakPolarHBondContact O-CG 3.37Å; K328-Q332 PolarHBondContact O-N 3.08Å |
| 329 | S | 95.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 100 Ų | 100 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.1 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | E325 V326 L331 Q332 Q333 | E325-S329 WeakPolarHBondContact O-CB 3.48Å; E325-S329 PolarHBondContact O-N 3Å; E325-S329 PolarHBondContact O-OG 3.32Å; V326-S329 PolarHBondContact O-N 3.36Å; S329-L331 PolarHBondContact O-N 2.76Å; S329-Q332 PolarHBondContact O-N 3.29Å; S329-Q333 PolarHBondContact O-N 3.33Å |
| 330 | A | 95.9 | Very high | 94.8 | Very high | 53 Ų | 53 | 98.4 Ų | 98.4 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -33.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V326 T327 K328 K334 | V326-A330 PolarHBondContact O-N 2.97Å; T327-A330 PolarHBondContact O-N 3.4Å; K328-A330 PolarHBondContact O-N 2.94Å; A330-K334 WeakPolarHBondContact O-CG 3.19Å; A330-K334 PolarHBondContact O-N 3.19Å |
| 331 | L | 94.4 | Very high | 94.9 | Very high | 109 Ų | 109 | 95 Ų | 95 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.3 | -41.2 | 173 | -74.4 | 168.2 | 0 | 0 | 0 | 111.9 | T327 K328 S329 Q333 K334 M335 | T327-L331 WeakPolarHBondContact O-CB 3.44Å; T327-L331 WeakPolarHBondContact O-CG 3.41Å; T327-L331 PolarHBondContact O-N 2.81Å; K328-L331 PolarHBondContact O-N 2.66Å; S329-L331 PolarHBondContact O-N 2.76Å; L331-Q333 PolarHBondContact O-N 3.07Å; L331-K334 PolarHBondContact O-N 3.44Å; L331-M335 WeakPolarHBondContact O-CG 3.43Å; L331-M335 PolarHBondContact O-N 2.96Å |
| 332 | Q | 95.4 | Very high | 95.2 | Very high | 111 Ų | 111 | 93.8 Ų | 93.8 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 175.6 | -74.7 | 175.1 | -19.4 | 0 | 0 | 111.9 | K328 S329 M335 L336 | K328-Q332 WeakPolarHBondContact O-CG 3.37Å; K328-Q332 PolarHBondContact O-N 3.08Å; S329-Q332 PolarHBondContact O-N 3.29Å; Q332-M335 PolarHBondContact O-N 3.48Å; Q332-L336 PolarHBondContact O-N 2.95Å; Q332-L336 VanDerWaalsContact O-N 3.16Å |
| 333 | Q | 96.9 | Very high | 95.4 | Very high | 102 Ų | 102 | 90.4 Ų | 90.4 | 48% | 0.477 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 173.1 | -175 | 59.4 | 53.3 | 0 | 0 | 111.3 | S329 L331 M335 L336 D337 | S329-Q333 PolarHBondContact O-N 3.33Å; L331-Q333 PolarHBondContact O-N 3.07Å; Q333-M335 VanDerWaalsContact C-N 3.28Å; Q333-M335 PolarHBondContact O-N 2.94Å; Q333-L336 WeakPolarHBondContact O-CA 3.3Å; Q333-L336 WeakPolarHBondContact O-CB 3.48Å; Q333-L336 PolarHBondContact O-N 3.37Å; Q333-D337 PolarHBondContact NE2-OD1 2.97Å; Q333-D337 PolarHBondContact O-N 3.49Å |
| 334 | K | 96.4 | Very high | 95.5 | Very high | 132 Ų | 132 | 91.7 Ų | 91.7 | 57% | 0.574 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.3 | -35.5 | 177.4 | -75.8 | -177.7 | 176.8 | -173.6 | 0 | 113.6 | A330 L331 D337 I338 | A330-K334 WeakPolarHBondContact O-CG 3.19Å; A330-K334 PolarHBondContact O-N 3.19Å; L331-K334 PolarHBondContact O-N 3.44Å; K334-D337 PolarHBondContact O-N 3.13Å; K334-I338 WeakPolarHBondContact O-CB 3.49Å; K334-I338 WeakPolarHBondContact O-CD1 3.35Å; K334-I338 VanDerWaalsContact O-CG1 3.23Å; K334-I338 WeakPolarHBondContact O-CG1 3.19Å; K334-I338 PolarHBondContact O-N 3.47Å |
| 335 | M | 96.3 | Very high | 95.5 | Very high | 135 Ų | 135 | 93.8 Ų | 93.8 | 67% | 0.665 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | 173.9 | -73.9 | 177.5 | 63.3 | 0 | 0 | 111.7 | L331 Q332 Q333 E339 | L331-M335 WeakPolarHBondContact O-CG 3.43Å; L331-M335 PolarHBondContact O-N 2.96Å; Q332-M335 PolarHBondContact O-N 3.48Å; Q333-M335 VanDerWaalsContact C-N 3.28Å; Q333-M335 PolarHBondContact O-N 2.94Å; M335-E339 WeakPolarHBondContact O-CB 3.32Å; M335-E339 PolarHBondContact O-N 2.91Å |
| 336 | L | 96 | Very high | 95.6 | Very high | 94 Ų | 94 | 96.3 Ų | 96.3 | 49% | 0.492 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 175.5 | -179.1 | 62.1 | 0 | 0 | 0 | 111.7 | Q332 Q333 E339 N340 | Q332-L336 PolarHBondContact O-N 2.95Å; Q332-L336 VanDerWaalsContact O-N 3.16Å; Q333-L336 WeakPolarHBondContact O-CA 3.3Å; Q333-L336 WeakPolarHBondContact O-CB 3.48Å; Q333-L336 PolarHBondContact O-N 3.37Å; L336-E339 PolarHBondContact O-N 3.39Å; L336-N340 PolarHBondContact O-N 2.95Å; L336-N340 PolarHBondContact O-ND2 3.12Å |
| 337 | D | 95.9 | Very high | 95.6 | Very high | 66 Ų | 66 | 97.8 Ų | 97.8 | 35% | 0.353 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 177.6 | -58.2 | -29.4 | 0 | 0 | 0 | 111.2 | Q333 K334 E339 N340 E341 | Q333-D337 PolarHBondContact NE2-OD1 2.97Å; Q333-D337 PolarHBondContact O-N 3.49Å; K334-D337 PolarHBondContact O-N 3.13Å; D337-E339 VanDerWaalsContact C-N 3.34Å; D337-E339 PolarHBondContact O-N 3.08Å; D337-N340 WeakPolarHBondContact O-CB 3.47Å; D337-N340 PolarHBondContact O-N 2.75Å; D337-E341 PolarHBondContact O-N 3.43Å |
| 338 | I | 96 | Very high | 95.7 | Very high | 103 Ų | 103 | 98.5 Ų | 98.5 | 53% | 0.528 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 176.3 | -69.2 | 165.5 | 0 | 0 | 0 | 111.7 | K334 K342 | K334-I338 WeakPolarHBondContact O-CB 3.49Å; K334-I338 WeakPolarHBondContact O-CD1 3.35Å; K334-I338 VanDerWaalsContact O-CG1 3.23Å; K334-I338 WeakPolarHBondContact O-CG1 3.19Å; K334-I338 PolarHBondContact O-N 3.47Å; I338-K342 VanDerWaalsContact O-CB 3.22Å; I338-K342 WeakPolarHBondContact O-CB 3.41Å; I338-K342 PolarHBondContact O-N 3.07Å |
| 339 | E | 96.5 | Very high | 95.7 | Very high | 88 Ų | 88 | 100 Ų | 100 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 175.2 | -163.4 | 65.5 | -156.3 | 0 | 0 | 111.2 | M335 L336 D337 K342 D343 | M335-E339 WeakPolarHBondContact O-CB 3.32Å; M335-E339 PolarHBondContact O-N 2.91Å; L336-E339 PolarHBondContact O-N 3.39Å; D337-E339 VanDerWaalsContact C-N 3.34Å; D337-E339 PolarHBondContact O-N 3.08Å; E339-K342 VanDerWaalsContact CD-CE 3.5Å; E339-K342 PolarHBondContact O-N 3.46Å; E339-K342 WeakPolarHBondContact OE1-CE 3.33Å; E339-K342 IonicContact OE1-NZ 2.78Å; E339-K342 PolarHBondContact OE1-NZ 2.81Å; E339-K342 WeakPolarHBondContact OE2-CE 3.38Å; E339-K342 IonicContact OE2-NZ 3.79Å; E339-K342 PolarHBondContact OE2-NZ 2.98Å; E339-D343 PolarHBondContact O-N 3.22Å; E339-D343 VanDerWaalsContact O-N 3.11Å |
| 340 | N | 95.4 | Very high | 95.6 | Very high | 95 Ų | 95 | 98.3 Ų | 98.3 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66 | -45.1 | 176.1 | -69.9 | -46.5 | 0 | 0 | 0 | 112.5 | L336 D337 D343 L344 | L336-N340 PolarHBondContact O-N 2.95Å; L336-N340 PolarHBondContact O-ND2 3.12Å; D337-N340 WeakPolarHBondContact O-CB 3.47Å; D337-N340 PolarHBondContact O-N 2.75Å; N340-D343 PolarHBondContact O-N 2.9Å; N340-L344 PolarHBondContact O-N 3.4Å |
| 341 | E | 96.6 | Very high | 95.4 | Very high | 115 Ų | 115 | 103.3 Ų | 103.3 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 175.4 | -75.3 | -173.6 | 171.2 | 0 | 0 | 111.5 | D337 D343 L344 F345 | D337-E341 PolarHBondContact O-N 3.43Å; E341-D343 VanDerWaalsContact C-N 3.28Å; E341-D343 PolarHBondContact O-N 2.86Å; E341-L344 WeakPolarHBondContact O-CB 3.26Å; E341-L344 PolarHBondContact O-N 3.46Å; E341-L344 VanDerWaalsContact O-N 3.08Å; E341-F345 HydrophobicContact CB-CE2 4.39Å; E341-F345 WeakPolarHBondContact O-CD2 3.31Å; E341-F345 PolarHBondContact O-N 2.84Å |
| 342 | K | 96.3 | Very high | 95.4 | Very high | 74 Ų | 74 | 103.5 Ų | 103.5 | 32% | 0.322 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.4 | -39.6 | 176.3 | -177.3 | -176.9 | 70.2 | -173.5 | 0 | 112 | I338 E339 F345 R346 | I338-K342 VanDerWaalsContact O-CB 3.22Å; I338-K342 WeakPolarHBondContact O-CB 3.41Å; I338-K342 PolarHBondContact O-N 3.07Å; E339-K342 VanDerWaalsContact CD-CE 3.5Å; E339-K342 PolarHBondContact O-N 3.46Å; E339-K342 WeakPolarHBondContact OE1-CE 3.33Å; E339-K342 IonicContact OE1-NZ 2.78Å; E339-K342 PolarHBondContact OE1-NZ 2.81Å; E339-K342 WeakPolarHBondContact OE2-CE 3.38Å; E339-K342 IonicContact OE2-NZ 3.79Å; E339-K342 PolarHBondContact OE2-NZ 2.98Å; K342-F345 PolarHBondContact O-N 2.96Å; K342-R346 WeakPolarHBondContact O-CB 3.17Å; K342-R346 WeakPolarHBondContact O-CD 3.47Å; K342-R346 VanDerWaalsContact O-CG 3.24Å; K342-R346 WeakPolarHBondContact O-CG 3.19Å; K342-R346 PolarHBondContact O-N 2.7Å |
| 343 | D | 96.3 | Very high | 95.3 | Very high | 64 Ų | 64 | 101.5 Ų | 101.5 | 34% | 0.342 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73 | -26.9 | 175.5 | -90.6 | 5.3 | 0 | 0 | 0 | 113.8 | E339 N340 E341 R346 K347 | E339-D343 PolarHBondContact O-N 3.22Å; E339-D343 VanDerWaalsContact O-N 3.11Å; N340-D343 PolarHBondContact O-N 2.9Å; E341-D343 VanDerWaalsContact C-N 3.28Å; E341-D343 PolarHBondContact O-N 2.86Å; D343-R346 WeakPolarHBondContact OD1-CD 3.48Å; D343-R346 IonicContact OD1-CZ 3.88Å; D343-R346 IonicContact OD1-NE 3.71Å; D343-R346 IonicContact OD1-NH1 3.85Å; D343-R346 PolarHBondContact OD1-NH1 3.02Å; D343-K347 WeakPolarHBondContact O-CD 3.4Å; D343-K347 VanDerWaalsContact O-CG 3.31Å; D343-K347 WeakPolarHBondContact O-CG 3.33Å; D343-K347 PolarHBondContact O-N 3.32Å |
| 344 | L | 96.3 | Very high | 95.2 | Very high | 97 Ų | 97 | 102.8 Ų | 102.8 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.4 | -47 | 168.1 | -177.7 | 61 | 0 | 0 | 0 | 111.1 | N340 E341 R346 K347 Q348 | N340-L344 PolarHBondContact O-N 3.4Å; E341-L344 WeakPolarHBondContact O-CB 3.26Å; E341-L344 PolarHBondContact O-N 3.46Å; E341-L344 VanDerWaalsContact O-N 3.08Å; L344-R346 VanDerWaalsContact C-N 3.33Å; L344-R346 PolarHBondContact O-N 3.43Å; L344-K347 PolarHBondContact O-N 2.83Å; L344-K347 VanDerWaalsContact O-N 3.17Å; L344-Q348 WeakPolarHBondContact O-CG 3.48Å; L344-Q348 PolarHBondContact O-N 3.19Å |
| 345 | F | 94.7 | Very high | 94.9 | Very high | 127 Ų | 127 | 100 Ų | 100 | 56% | 0.557 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.6 | -38.1 | 176.1 | -75.3 | -60.7 | 0 | 0 | 0 | 112.6 | E341 K342 K347 Q348 K349 | E341-F345 HydrophobicContact CB-CE2 4.39Å; E341-F345 WeakPolarHBondContact O-CD2 3.31Å; E341-F345 PolarHBondContact O-N 2.84Å; K342-F345 PolarHBondContact O-N 2.96Å; F345-K347 PolarHBondContact O-N 2.68Å; F345-Q348 PolarHBondContact O-N 3.1Å; F345-K349 WeakPolarHBondContact O-CB 3.48Å; F345-K349 PolarHBondContact O-N 2.9Å |
| 346 | R | 94.8 | Very high | 94.7 | Very high | 140 Ų | 140 | 98.6 Ų | 98.6 | 53% | 0.528 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 172.6 | -78.6 | 161.3 | 167 | 176.9 | -4.7 | 112 | K342 D343 L344 K349 G350 | K342-R346 WeakPolarHBondContact O-CB 3.17Å; K342-R346 WeakPolarHBondContact O-CD 3.47Å; K342-R346 VanDerWaalsContact O-CG 3.24Å; K342-R346 WeakPolarHBondContact O-CG 3.19Å; K342-R346 PolarHBondContact O-N 2.7Å; D343-R346 WeakPolarHBondContact OD1-CD 3.48Å; D343-R346 IonicContact OD1-CZ 3.88Å; D343-R346 IonicContact OD1-NE 3.71Å; D343-R346 IonicContact OD1-NH1 3.85Å; D343-R346 PolarHBondContact OD1-NH1 3.02Å; L344-R346 VanDerWaalsContact C-N 3.33Å; L344-R346 PolarHBondContact O-N 3.43Å; R346-K349 PolarHBondContact O-N 2.98Å; R346-G350 PolarHBondContact O-N 2.95Å; R346-G350 VanDerWaalsContact O-N 3.08Å |
| 347 | K | 96.6 | Very high | 94.7 | Very high | 127 Ų | 127 | 98.5 Ų | 98.5 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.7 | -45.4 | 177.2 | -68.5 | 161.8 | -171.1 | 164.5 | 0 | 111.7 | D343 L344 F345 K349 G350 Y351 | D343-K347 WeakPolarHBondContact O-CD 3.4Å; D343-K347 VanDerWaalsContact O-CG 3.31Å; D343-K347 WeakPolarHBondContact O-CG 3.33Å; D343-K347 PolarHBondContact O-N 3.32Å; L344-K347 PolarHBondContact O-N 2.83Å; L344-K347 VanDerWaalsContact O-N 3.17Å; F345-K347 PolarHBondContact O-N 2.68Å; K347-K349 VanDerWaalsContact C-N 3.32Å; K347-K349 PolarHBondContact O-N 3.13Å; K347-G350 PolarHBondContact O-N 2.95Å; K347-G350 VanDerWaalsContact O-N 3.14Å; K347-Y351 HydrophobicContact CB-CE2 4.44Å; K347-Y351 WeakPolarHBondContact O-CD2 3.24Å; K347-Y351 PolarHBondContact O-N 3.47Å; K347-Y351 VanDerWaalsContact O-N 3.13Å |
| 348 | Q | 94 | Very high | 94.7 | Very high | 90 Ų | 90 | 101.4 Ų | 101.4 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 175.8 | -71.7 | 176 | -7.9 | 0 | 0 | 112.2 | L344 F345 Y351 L352 | L344-Q348 WeakPolarHBondContact O-CG 3.48Å; L344-Q348 PolarHBondContact O-N 3.19Å; F345-Q348 PolarHBondContact O-N 3.1Å; Q348-Y351 PolarHBondContact O-N 2.88Å; Q348-L352 WeakPolarHBondContact O-CG 3.4Å; Q348-L352 PolarHBondContact O-N 3.46Å |
| 349 | K | 93.1 | Very high | 94.4 | Very high | 118 Ų | 118 | 102.2 Ų | 102.2 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 173.5 | -168 | -160.5 | 177.5 | -60.4 | 0 | 111.4 | F345 R346 K347 Y351 L352 D353 | F345-K349 WeakPolarHBondContact O-CB 3.48Å; F345-K349 PolarHBondContact O-N 2.9Å; R346-K349 PolarHBondContact O-N 2.98Å; K347-K349 VanDerWaalsContact C-N 3.32Å; K347-K349 PolarHBondContact O-N 3.13Å; K349-Y351 PolarHBondContact O-N 3.44Å; K349-L352 WeakPolarHBondContact O-CB 3.25Å; K349-L352 PolarHBondContact O-N 3.08Å; K349-D353 IonicContact NZ-OD1 3.05Å; K349-D353 PolarHBondContact NZ-OD1 2.88Å; K349-D353 IonicContact NZ-OD2 3.79Å; K349-D353 PolarHBondContact NZ-OD2 3.38Å; K349-D353 VanDerWaalsContact O-CG 3.28Å; K349-D353 PolarHBondContact O-N 3.35Å |
| 350 | G | 92.9 | Very high | 94.3 | Very high | 25 Ų | 25 | 103.7 Ų | 103.7 | 26% | 0.258 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -53.8 | -50 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R346 K347 L352 D353 E354 | R346-G350 PolarHBondContact O-N 2.95Å; R346-G350 VanDerWaalsContact O-N 3.08Å; K347-G350 PolarHBondContact O-N 2.95Å; K347-G350 VanDerWaalsContact O-N 3.14Å; G350-L352 VanDerWaalsContact C-N 3.28Å; G350-L352 PolarHBondContact O-N 3.42Å; G350-D353 PolarHBondContact O-N 3.5Å; G350-E354 WeakPolarHBondContact O-CG 3.32Å; G350-E354 PolarHBondContact O-N 3.13Å |
| 351 | Y | 93.7 | Very high | 94.3 | Very high | 158 Ų | 158 | 105.1 Ų | 105.1 | 62% | 0.62 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -31.8 | 176.6 | -61.5 | -51.8 | 0 | 0 | 0 | 113.7 | K347 Q348 K349 E355 | K347-Y351 HydrophobicContact CB-CE2 4.44Å; K347-Y351 WeakPolarHBondContact O-CD2 3.24Å; K347-Y351 PolarHBondContact O-N 3.47Å; K347-Y351 VanDerWaalsContact O-N 3.13Å; Q348-Y351 PolarHBondContact O-N 2.88Å; K349-Y351 PolarHBondContact O-N 3.44Å; Y351-E355 VanDerWaalsContact O-CB 3.32Å; Y351-E355 WeakPolarHBondContact O-CB 3.38Å; Y351-E355 PolarHBondContact O-N 3.17Å; Y351-E355 VanDerWaalsContact O-N 3.1Å |
| 352 | L | 93.4 | Very high | 94 | Very high | 113 Ų | 113 | 102.6 Ų | 102.6 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -74.3 | -36.8 | 175.3 | -70.2 | 171.5 | 0 | 0 | 0 | 112.3 | Q348 K349 G350 L356 | Q348-L352 WeakPolarHBondContact O-CG 3.4Å; Q348-L352 PolarHBondContact O-N 3.46Å; K349-L352 WeakPolarHBondContact O-CB 3.25Å; K349-L352 PolarHBondContact O-N 3.08Å; G350-L352 VanDerWaalsContact C-N 3.28Å; G350-L352 PolarHBondContact O-N 3.42Å; L352-L356 WeakPolarHBondContact O-CB 3.19Å; L352-L356 VanDerWaalsContact O-CG 3.23Å; L352-L356 WeakPolarHBondContact O-CG 3.16Å; L352-L356 PolarHBondContact O-N 3.41Å |
| 353 | D | 92.8 | Very high | 93.8 | Very high | 69 Ų | 69 | 104.4 Ų | 104.4 | 37% | 0.369 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 173.3 | -61.4 | -35.2 | 0 | 0 | 0 | 110.2 | K349 G350 E355 L356 D357 | K349-D353 IonicContact NZ-OD1 3.05Å; K349-D353 PolarHBondContact NZ-OD1 2.88Å; K349-D353 IonicContact NZ-OD2 3.79Å; K349-D353 PolarHBondContact NZ-OD2 3.38Å; K349-D353 VanDerWaalsContact O-CG 3.28Å; K349-D353 PolarHBondContact O-N 3.35Å; G350-D353 PolarHBondContact O-N 3.5Å; D353-E355 PolarHBondContact O-N 2.87Å; D353-L356 PolarHBondContact O-N 3.41Å; D353-D357 PolarHBondContact O-N 3.14Å |
| 354 | E | 94.4 | Very high | 93.8 | Very high | 128 Ų | 128 | 105.3 Ų | 105.3 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.3 | -46.3 | 176.9 | -73.6 | 171.3 | -178.3 | 0 | 0 | 112.5 | G350 L356 D357 F358 | G350-E354 WeakPolarHBondContact O-CG 3.32Å; G350-E354 PolarHBondContact O-N 3.13Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 3.48Å; E354-D357 PolarHBondContact O-N 2.92Å; E354-F358 PolarHBondContact O-N 3.06Å |
| 355 | E | 91.9 | Very high | 93.6 | Very high | 74 Ų | 74 | 107.5 Ų | 107.5 | 35% | 0.346 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -30.7 | 178.1 | 176.5 | 64.7 | -162.9 | 0 | 0 | 112.4 | Y351 D353 R359 | Y351-E355 VanDerWaalsContact O-CB 3.32Å; Y351-E355 WeakPolarHBondContact O-CB 3.38Å; Y351-E355 PolarHBondContact O-N 3.17Å; Y351-E355 VanDerWaalsContact O-N 3.1Å; D353-E355 PolarHBondContact O-N 2.87Å; E355-R359 VanDerWaalsContact CD-NH2 3.32Å; E355-R359 VanDerWaalsContact O-CG 3.3Å; E355-R359 WeakPolarHBondContact O-CG 3.23Å; E355-R359 PolarHBondContact O-N 3.06Å; E355-R359 IonicContact OE1-CZ 2.73Å; E355-R359 IonicContact OE1-NE 3.88Å; E355-R359 PolarHBondContact OE1-NE 2.97Å; E355-R359 IonicContact OE1-NH2 3.82Å; E355-R359 PolarHBondContact OE1-NH2 2.93Å |
| 356 | L | 92.1 | Very high | 93.4 | Very high | 105 Ų | 105 | 103.9 Ų | 103.9 | 55% | 0.55 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.9 | -44.1 | 172.4 | -77.9 | 169.4 | 0 | 0 | 0 | 111.5 | L352 D353 E354 F358 R359 K360 | L352-L356 WeakPolarHBondContact O-CB 3.19Å; L352-L356 VanDerWaalsContact O-CG 3.23Å; L352-L356 WeakPolarHBondContact O-CG 3.16Å; L352-L356 PolarHBondContact O-N 3.41Å; D353-L356 PolarHBondContact O-N 3.41Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 3.48Å; L356-F358 VanDerWaalsContact C-N 3.34Å; L356-R359 PolarHBondContact O-N 3.1Å; L356-K360 WeakPolarHBondContact O-CB 3.42Å; L356-K360 PolarHBondContact O-N 3.21Å |
| 357 | D | 96.1 | Very high | 93.1 | Very high | 93 Ų | 93 | 102 Ų | 102 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 175.3 | -91 | -21.2 | 0 | 0 | 0 | 111.9 | D353 E354 K360 Q361 | D353-D357 PolarHBondContact O-N 3.14Å; E354-D357 PolarHBondContact O-N 2.92Å; D357-K360 PolarHBondContact O-N 3.5Å; D357-Q361 WeakPolarHBondContact O-CB 3.38Å; D357-Q361 VanDerWaalsContact O-CG 3.27Å; D357-Q361 WeakPolarHBondContact O-CG 3.43Å; D357-Q361 PolarHBondContact O-N 3.48Å; D357-Q361 PolarHBondContact O-NE2 3.19Å |
| 358 | F | 94.7 | Very high | 93 | Very high | 127 Ų | 127 | 102 Ų | 102 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.3 | -48.2 | 173.3 | 178.2 | -103.7 | 0 | 0 | 0 | 112.2 | E354 L356 K360 Q361 S362 | E354-F358 PolarHBondContact O-N 3.06Å; L356-F358 VanDerWaalsContact C-N 3.34Å; F358-K360 VanDerWaalsContact C-N 3.3Å; F358-K360 PolarHBondContact O-N 3.22Å; F358-Q361 PolarHBondContact O-N 3.28Å; F358-S362 PolarHBondContact O-N 3.31Å |
| 359 | R | 90.6 | Very high | 93 | Very high | 119 Ų | 119 | 103.1 Ų | 103.1 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 177.1 | -72.5 | 173.7 | -169.1 | 152.1 | 4.2 | 112.2 | E355 L356 S362 M363 | E355-R359 VanDerWaalsContact CD-NH2 3.32Å; E355-R359 VanDerWaalsContact O-CG 3.3Å; E355-R359 WeakPolarHBondContact O-CG 3.23Å; E355-R359 PolarHBondContact O-N 3.06Å; E355-R359 IonicContact OE1-CZ 2.73Å; E355-R359 IonicContact OE1-NE 3.88Å; E355-R359 PolarHBondContact OE1-NE 2.97Å; E355-R359 IonicContact OE1-NH2 3.82Å; E355-R359 PolarHBondContact OE1-NH2 2.93Å; L356-R359 PolarHBondContact O-N 3.1Å; R359-S362 PolarHBondContact O-N 2.93Å; R359-M363 WeakPolarHBondContact O-CB 3.5Å; R359-M363 PolarHBondContact O-N 3.37Å |
| 360 | K | 93.9 | Very high | 92.9 | Very high | 120 Ų | 120 | 101.6 Ų | 101.6 | 52% | 0.522 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 174.3 | -176.8 | -176.6 | 172.3 | -169.8 | 0 | 111.4 | L356 D357 F358 S362 M363 D364 | L356-K360 WeakPolarHBondContact O-CB 3.42Å; L356-K360 PolarHBondContact O-N 3.21Å; D357-K360 PolarHBondContact O-N 3.5Å; F358-K360 VanDerWaalsContact C-N 3.3Å; F358-K360 PolarHBondContact O-N 3.22Å; K360-S362 VanDerWaalsContact C-N 3.3Å; K360-S362 PolarHBondContact O-N 2.93Å; K360-M363 WeakPolarHBondContact O-CB 3.2Å; K360-M363 PolarHBondContact O-N 2.94Å; K360-M363 VanDerWaalsContact O-N 3.13Å; K360-D364 PolarHBondContact O-N 3.36Å |
| 361 | Q | 94.3 | Very high | 92.9 | Very high | 125 Ų | 125 | 105.8 Ų | 105.8 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.7 | -40.8 | 176.1 | -72.7 | 170.2 | 53.4 | 0 | 0 | 112.2 | D357 F358 D364 Q365 | D357-Q361 WeakPolarHBondContact O-CB 3.38Å; D357-Q361 VanDerWaalsContact O-CG 3.27Å; D357-Q361 WeakPolarHBondContact O-CG 3.43Å; D357-Q361 PolarHBondContact O-N 3.48Å; D357-Q361 PolarHBondContact O-NE2 3.19Å; F358-Q361 PolarHBondContact O-N 3.28Å; Q361-D364 PolarHBondContact O-N 2.93Å; Q361-Q365 VanDerWaalsContact O-CB 3.31Å; Q361-Q365 WeakPolarHBondContact O-CB 3.41Å; Q361-Q365 PolarHBondContact O-N 2.63Å |
| 362 | S | 91.8 | Very high | 93 | Very high | 62 Ų | 62 | 101.5 Ų | 101.5 | 43% | 0.434 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 175.2 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | F358 R359 K360 Q365 A366 | F358-S362 PolarHBondContact O-N 3.31Å; R359-S362 PolarHBondContact O-N 2.93Å; K360-S362 VanDerWaalsContact C-N 3.3Å; K360-S362 PolarHBondContact O-N 2.93Å; S362-Q365 PolarHBondContact O-N 3.4Å; S362-A366 WeakPolarHBondContact O-CB 3.41Å; S362-A366 PolarHBondContact O-N 3.43Å |
| 363 | M | 91.1 | Very high | 93 | Very high | 111 Ų | 111 | 99.8 Ų | 99.8 | 55% | 0.547 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 175.5 | -168.9 | -167.9 | -58 | 0 | 0 | 112.1 | R359 K360 Q365 A366 H367 | R359-M363 WeakPolarHBondContact O-CB 3.5Å; R359-M363 PolarHBondContact O-N 3.37Å; K360-M363 WeakPolarHBondContact O-CB 3.2Å; K360-M363 PolarHBondContact O-N 2.94Å; K360-M363 VanDerWaalsContact O-N 3.13Å; M363-Q365 VanDerWaalsContact C-N 3.31Å; M363-Q365 PolarHBondContact O-N 3.37Å; M363-A366 WeakPolarHBondContact O-CB 3.35Å; M363-A366 PolarHBondContact O-N 2.91Å; M363-A366 VanDerWaalsContact O-N 3.16Å; M363-H367 VanDerWaalsContact CG-CE1 3.49Å; M363-H367 WeakPolarHBondContact CG-CE1 3.31Å; M363-H367 PolarHBondContact O-N 3.46Å; M363-H367 PolarHBondContact O-ND1 2.84Å |
| 364 | D | 95.8 | Very high | 92.7 | Very high | 84 Ų | 84 | 101.6 Ų | 101.6 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 177 | -70.2 | -25.1 | 0 | 0 | 0 | 111.3 | K360 Q361 K368 | K360-D364 PolarHBondContact O-N 3.36Å; Q361-D364 PolarHBondContact O-N 2.93Å; D364-K368 WeakPolarHBondContact O-CB 3.38Å; D364-K368 PolarHBondContact O-N 3.29Å |
| 365 | Q | 93.8 | Very high | 92.6 | Very high | 142 Ų | 142 | 97.8 Ų | 97.8 | 66% | 0.664 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65 | -41 | 172.4 | -173.6 | 179.8 | 12.3 | 0 | 0 | 112.1 | Q361 S362 M363 K368 R369 | Q361-Q365 VanDerWaalsContact O-CB 3.31Å; Q361-Q365 WeakPolarHBondContact O-CB 3.41Å; Q361-Q365 PolarHBondContact O-N 2.63Å; S362-Q365 PolarHBondContact O-N 3.4Å; M363-Q365 VanDerWaalsContact C-N 3.31Å; M363-Q365 PolarHBondContact O-N 3.37Å; Q365-K368 PolarHBondContact O-N 2.76Å; Q365-R369 WeakPolarHBondContact O-CB 3.27Å; Q365-R369 PolarHBondContact O-N 2.73Å |
| 366 | A | 89.3 | Confident | 92.6 | Very high | 51 Ų | 51 | 98.6 Ų | 98.6 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S362 M363 K368 R369 I370 | S362-A366 WeakPolarHBondContact O-CB 3.41Å; S362-A366 PolarHBondContact O-N 3.43Å; M363-A366 WeakPolarHBondContact O-CB 3.35Å; M363-A366 PolarHBondContact O-N 2.91Å; M363-A366 VanDerWaalsContact O-N 3.16Å; A366-K368 PolarHBondContact O-N 2.77Å; A366-R369 PolarHBondContact O-N 3.34Å; A366-R369 VanDerWaalsContact O-N 3.12Å; A366-I370 WeakPolarHBondContact O-CG1 3.35Å; A366-I370 PolarHBondContact O-N 3.18Å |
| 367 | H | 89.3 | Confident | 92.4 | Very high | 100 Ų | 100 | 98.9 Ų | 98.9 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 174.1 | -69.7 | 140.1 | 0 | 0 | 0 | 112.1 | M363 R369 I370 L371 | M363-H367 VanDerWaalsContact CG-CE1 3.49Å; M363-H367 WeakPolarHBondContact CG-CE1 3.31Å; M363-H367 PolarHBondContact O-N 3.46Å; M363-H367 PolarHBondContact O-ND1 2.84Å; H367-R369 VanDerWaalsContact C-N 3.28Å; H367-R369 PolarHBondContact O-N 2.86Å; H367-I370 PolarHBondContact O-N 3.37Å; H367-L371 WeakPolarHBondContact O-CG 3.49Å; H367-L371 PolarHBondContact O-N 3.49Å |
| 368 | K | 94.9 | Very high | 92 | Very high | 127 Ų | 127 | 101 Ų | 101 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.6 | -42.1 | 173.6 | -177.5 | 175.8 | -177.3 | -83 | 0 | 111.5 | D364 Q365 A366 L371 E372 | D364-K368 WeakPolarHBondContact O-CB 3.38Å; D364-K368 PolarHBondContact O-N 3.29Å; Q365-K368 PolarHBondContact O-N 2.76Å; A366-K368 PolarHBondContact O-N 2.77Å; K368-L371 PolarHBondContact O-N 3.26Å; K368-E372 IonicContact NZ-OE1 2.64Å; K368-E372 PolarHBondContact NZ-OE1 2.88Å; K368-E372 WeakPolarHBondContact O-CG 3.26Å; K368-E372 PolarHBondContact O-N 2.78Å |
| 369 | R | 93 | Very high | 91.7 | Very high | 115 Ų | 115 | 100.3 Ų | 100.3 | 43% | 0.434 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.6 | -32.1 | -179.9 | -173.8 | 56 | -171.7 | 157.2 | 6.2 | 113 | Q365 A366 H367 E372 L373 | Q365-R369 WeakPolarHBondContact O-CB 3.27Å; Q365-R369 PolarHBondContact O-N 2.73Å; A366-R369 PolarHBondContact O-N 3.34Å; A366-R369 VanDerWaalsContact O-N 3.12Å; H367-R369 VanDerWaalsContact C-N 3.28Å; H367-R369 PolarHBondContact O-N 2.86Å; R369-E372 WeakPolarHBondContact CD-OE2 3.49Å; R369-E372 IonicContact CZ-OE2 2.76Å; R369-E372 IonicContact NE-OE2 3.61Å; R369-E372 IonicContact NH1-OE2 2.69Å; R369-E372 PolarHBondContact NH1-OE2 3.43Å; R369-L373 HydrophobicContact CG-CD1 4.25Å; R369-L373 WeakPolarHBondContact O-CD1 3.45Å; R369-L373 VanDerWaalsContact O-CG 3.29Å; R369-L373 WeakPolarHBondContact O-CG 3.33Å; R369-L373 PolarHBondContact O-N 2.79Å |
| 370 | I | 90.6 | Very high | 91.3 | Very high | 85 Ų | 85 | 97.2 Ų | 97.2 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -50.7 | 171.1 | -68.9 | 164.5 | 0 | 0 | 0 | 109.8 | A366 H367 E372 L373 E374 | A366-I370 WeakPolarHBondContact O-CG1 3.35Å; A366-I370 PolarHBondContact O-N 3.18Å; H367-I370 PolarHBondContact O-N 3.37Å; I370-E372 VanDerWaalsContact C-N 3.31Å; I370-E372 PolarHBondContact O-N 3.48Å; I370-L373 WeakPolarHBondContact O-CA 3.38Å; I370-L373 WeakPolarHBondContact O-CB 3.24Å; I370-L373 PolarHBondContact O-N 2.82Å; I370-E374 HydrophobicContact CG2-CG 4.25Å; I370-E374 WeakPolarHBondContact O-CG 3.25Å; I370-E374 PolarHBondContact O-N 3.28Å |
| 371 | L | 93.6 | Very high | 90.6 | Very high | 114 Ų | 114 | 96 Ų | 96 | 60% | 0.597 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.7 | -37.9 | 178.1 | -67.8 | 168.1 | 0 | 0 | 0 | 112.8 | H367 K368 A375 | H367-L371 WeakPolarHBondContact O-CG 3.49Å; H367-L371 PolarHBondContact O-N 3.49Å; K368-L371 PolarHBondContact O-N 3.26Å; L371-A375 WeakPolarHBondContact O-CB 3.34Å; L371-A375 PolarHBondContact O-N 2.86Å |
| 372 | E | 95.2 | Very high | 89.8 | Confident | 67 Ų | 67 | 95 Ų | 95 | 31% | 0.313 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 171.9 | -73.7 | 170.9 | -171.7 | 0 | 0 | 112.5 | K368 R369 I370 M376 | K368-E372 IonicContact NZ-OE1 2.64Å; K368-E372 PolarHBondContact NZ-OE1 2.88Å; K368-E372 WeakPolarHBondContact O-CG 3.26Å; K368-E372 PolarHBondContact O-N 2.78Å; R369-E372 WeakPolarHBondContact CD-OE2 3.49Å; R369-E372 IonicContact CZ-OE2 2.76Å; R369-E372 IonicContact NE-OE2 3.61Å; R369-E372 IonicContact NH1-OE2 2.69Å; R369-E372 PolarHBondContact NH1-OE2 3.43Å; I370-E372 VanDerWaalsContact C-N 3.31Å; I370-E372 PolarHBondContact O-N 3.48Å; E372-M376 WeakPolarHBondContact O-CE 3.37Å; E372-M376 WeakPolarHBondContact O-CG 3.39Å; E372-M376 PolarHBondContact O-N 3.14Å; E372-M376 VanDerWaalsContact O-N 3.08Å |
| 373 | L | 93.1 | Very high | 88.9 | Confident | 77 Ų | 77 | 98.5 Ų | 98.5 | 40% | 0.403 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.7 | -42 | 177.8 | -74.2 | 162.6 | 0 | 0 | 0 | 111.7 | R369 I370 M376 L377 | R369-L373 HydrophobicContact CG-CD1 4.25Å; R369-L373 WeakPolarHBondContact O-CD1 3.45Å; R369-L373 VanDerWaalsContact O-CG 3.29Å; R369-L373 WeakPolarHBondContact O-CG 3.33Å; R369-L373 PolarHBondContact O-N 2.79Å; I370-L373 WeakPolarHBondContact O-CA 3.38Å; I370-L373 WeakPolarHBondContact O-CB 3.24Å; I370-L373 PolarHBondContact O-N 2.82Å; L373-M376 HydrophobicContact CD2-CE 3.82Å; L373-M376 HydrophobicContact CG-CE 4.31Å; L373-M376 PolarHBondContact O-N 3.08Å; L373-L377 WeakPolarHBondContact O-CB 3.41Å; L373-L377 VanDerWaalsContact O-CG 3.27Å; L373-L377 WeakPolarHBondContact O-CG 3.23Å; L373-L377 PolarHBondContact O-N 3.46Å |
| 374 | E | 88.4 | Confident | 87.7 | Confident | 107 Ų | 107 | 95.3 Ų | 95.3 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 175.6 | -71.4 | 174.7 | 162.3 | 0 | 0 | 111.5 | I370 L377 F378 | I370-E374 HydrophobicContact CG2-CG 4.25Å; I370-E374 WeakPolarHBondContact O-CG 3.25Å; I370-E374 PolarHBondContact O-N 3.28Å; E374-L377 PolarHBondContact O-N 2.86Å; E374-F378 WeakPolarHBondContact O-CB 3.45Å; E374-F378 PolarHBondContact O-N 2.93Å |
| 375 | A | 90.6 | Very high | 86.1 | Confident | 49 Ų | 49 | 96.3 Ų | 96.3 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L371 L377 F378 E379 | L371-A375 WeakPolarHBondContact O-CB 3.34Å; L371-A375 PolarHBondContact O-N 2.86Å; A375-L377 VanDerWaalsContact C-N 3.32Å; A375-L377 PolarHBondContact O-N 2.74Å; A375-F378 PolarHBondContact O-N 3.14Å; A375-E379 WeakPolarHBondContact O-CG 3.27Å; A375-E379 PolarHBondContact O-N 3.49Å |
| 376 | M | 92.9 | Very high | 84.7 | Confident | 90 Ų | 90 | 93.5 Ų | 93.5 | 44% | 0.443 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 177.5 | -71.1 | -176.9 | -60.8 | 0 | 0 | 112.7 | E372 L373 A380 | E372-M376 WeakPolarHBondContact O-CE 3.37Å; E372-M376 WeakPolarHBondContact O-CG 3.39Å; E372-M376 PolarHBondContact O-N 3.14Å; E372-M376 VanDerWaalsContact O-N 3.08Å; L373-M376 HydrophobicContact CD2-CE 3.82Å; L373-M376 HydrophobicContact CG-CE 4.31Å; L373-M376 PolarHBondContact O-N 3.08Å; M376-A380 WeakPolarHBondContact O-CB 3.49Å; M376-A380 PolarHBondContact O-N 3.01Å |
| 377 | L | 87.6 | Confident | 83.2 | Confident | 112 Ų | 112 | 95.1 Ų | 95.1 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.4 | -41 | 173.5 | -74.8 | 168.1 | 0 | 0 | 0 | 111.6 | L373 E374 A375 A380 L381 | L373-L377 WeakPolarHBondContact O-CB 3.41Å; L373-L377 VanDerWaalsContact O-CG 3.27Å; L373-L377 WeakPolarHBondContact O-CG 3.23Å; L373-L377 PolarHBondContact O-N 3.46Å; E374-L377 PolarHBondContact O-N 2.86Å; A375-L377 VanDerWaalsContact C-N 3.32Å; A375-L377 PolarHBondContact O-N 2.74Å; L377-A380 PolarHBondContact O-N 2.94Å; L377-L381 WeakPolarHBondContact O-CB 3.44Å; L377-L381 VanDerWaalsContact O-CG 3.3Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 3.23Å |
| 378 | F | 88.8 | Confident | 81.6 | Confident | 137 Ų | 137 | 95.3 Ų | 95.3 | 60% | 0.601 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.9 | -34.8 | 177.6 | -168 | -108.3 | 0 | 0 | 0 | 112.6 | E374 A375 Q382 | E374-F378 WeakPolarHBondContact O-CB 3.45Å; E374-F378 PolarHBondContact O-N 2.93Å; A375-F378 PolarHBondContact O-N 3.14Å; F378-Q382 VanDerWaalsContact CD1-NE2 3.26Å; F378-Q382 WeakPolarHBondContact O-CB 3.45Å; F378-Q382 WeakPolarHBondContact O-CG 3.47Å; F378-Q382 PolarHBondContact O-N 3.35Å; F378-Q382 VanDerWaalsContact O-N 3.08Å; F378-Q382 PolarHBondContact O-NE2 3.38Å |
| 379 | E | 87.7 | Confident | 79.3 | Confident | 112 Ų | 112 | 94.2 Ų | 94.2 | 52% | 0.523 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 170.1 | -74 | 179.8 | -174.2 | 0 | 0 | 112.1 | A375 Q382 Q383 | A375-E379 WeakPolarHBondContact O-CG 3.27Å; A375-E379 PolarHBondContact O-N 3.49Å; E379-Q382 PolarHBondContact O-N 3.01Å; E379-Q383 WeakPolarHBondContact O-CG 3.39Å; E379-Q383 PolarHBondContact O-N 3.25Å |
| 380 | A | 82.8 | Confident | 77.3 | Confident | 55 Ų | 55 | 95.5 Ų | 95.5 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M376 L377 Q383 E384 | M376-A380 WeakPolarHBondContact O-CB 3.49Å; M376-A380 PolarHBondContact O-N 3.01Å; L377-A380 PolarHBondContact O-N 2.94Å; A380-Q383 PolarHBondContact O-N 3.48Å; A380-E384 PolarHBondContact O-N 2.93Å |
| 381 | L | 78.9 | Confident | 75.3 | Confident | 95 Ų | 95 | 95.1 Ų | 95.1 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 174.6 | -71.9 | 167.8 | 0 | 0 | 0 | 111.9 | L377 Q383 E384 E385 | L377-L381 WeakPolarHBondContact O-CB 3.44Å; L377-L381 VanDerWaalsContact O-CG 3.3Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 3.23Å; L381-Q383 VanDerWaalsContact C-N 3.31Å; L381-Q383 PolarHBondContact O-N 3Å; L381-E384 PolarHBondContact O-N 3.35Å; L381-E385 PolarHBondContact O-N 3.01Å |
| 382 | Q | 77.6 | Confident | 73 | Confident | 104 Ų | 104 | 96.2 Ų | 96.2 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.5 | -32.8 | 173 | -80.7 | 179.2 | 92.4 | 0 | 0 | 112.8 | F378 E379 E385 A386 | F378-Q382 VanDerWaalsContact CD1-NE2 3.26Å; F378-Q382 WeakPolarHBondContact O-CB 3.45Å; F378-Q382 WeakPolarHBondContact O-CG 3.47Å; F378-Q382 PolarHBondContact O-N 3.35Å; F378-Q382 VanDerWaalsContact O-N 3.08Å; F378-Q382 PolarHBondContact O-NE2 3.38Å; E379-Q382 PolarHBondContact O-N 3.01Å; Q382-E385 PolarHBondContact O-N 2.6Å; Q382-A386 WeakPolarHBondContact O-CB 3.22Å; Q382-A386 PolarHBondContact O-N 2.91Å |
| 383 | Q | 73.1 | Confident | 70.5 | Confident | 134 Ų | 134 | 100 Ų | 100 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.5 | -33.4 | 174.5 | -71 | 176.9 | 40.5 | 0 | 0 | 112.5 | E379 A380 L381 E385 S387 | E379-Q383 WeakPolarHBondContact O-CG 3.39Å; E379-Q383 PolarHBondContact O-N 3.25Å; A380-Q383 PolarHBondContact O-N 3.48Å; L381-Q383 VanDerWaalsContact C-N 3.31Å; L381-Q383 PolarHBondContact O-N 3Å; Q383-E385 VanDerWaalsContact C-N 3.33Å; Q383-S387 VanDerWaalsContact O-CB 3.32Å; Q383-S387 WeakPolarHBondContact O-CB 3.44Å; Q383-S387 PolarHBondContact O-N 3.18Å; Q383-S387 PolarHBondContact O-OG 3.27Å |
| 384 | E | 64.8 | Low | 68.2 | Low | 44 Ų | 44 | 107.2 Ų | 107.2 | 21% | 0.206 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -62.6 | -39 | 168 | -166.7 | -169.5 | 151.4 | 0 | 0 | 111.3 | A380 L381 S387 R398 L399 | A380-E384 PolarHBondContact O-N 2.93Å; L381-E384 PolarHBondContact O-N 3.35Å; E384-S387 PolarHBondContact O-OG 3.45Å; E384-R398 VanDerWaalsContact OE1-CA 3.27Å; E384-R398 WeakPolarHBondContact OE1-CA 3.36Å; E384-R398 WeakPolarHBondContact OE1-CB 3.31Å; E384-R398 WeakPolarHBondContact OE1-CG 3.4Å; E384-L399 PolarHBondContact OE1-N 3.23Å |
| 385 | E | 62.9 | Low | 66.1 | Low | 106 Ų | 106 | 105.5 Ų | 105.5 | 50% | 0.495 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -78.8 | -31.9 | 178.3 | -65 | -161.1 | 150.6 | 0 | 0 | 113.5 | L381 Q382 Q383 R388 R398 | L381-E385 PolarHBondContact O-N 3.01Å; Q382-E385 PolarHBondContact O-N 2.6Å; Q383-E385 VanDerWaalsContact C-N 3.33Å; E385-R388 WeakPolarHBondContact O-CB 3.24Å; E385-R398 IonicContact OE1-CZ 3.54Å; E385-R398 IonicContact OE1-NH2 2.7Å; E385-R398 PolarHBondContact OE1-NH2 2.92Å |
| 386 | A | 63 | Low | 63.9 | Low | 83 Ų | 83 | 110.3 Ų | 110.3 | 69% | 0.686 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -80.7 | -24.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q382 R388 | Q382-A386 WeakPolarHBondContact O-CB 3.22Å; Q382-A386 PolarHBondContact O-N 2.91Å; A386-R388 PolarHBondContact O-N 2.75Å |
| 387 | S | 58 | Low | 61.9 | Low | 85 Ų | 85 | 107.3 Ų | 107.3 | 59% | 0.594 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -70.6 | -13.9 | 174.3 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | Q383 E384 T389 | Q383-S387 VanDerWaalsContact O-CB 3.32Å; Q383-S387 WeakPolarHBondContact O-CB 3.44Å; Q383-S387 PolarHBondContact O-N 3.18Å; Q383-S387 PolarHBondContact O-OG 3.27Å; E384-S387 PolarHBondContact O-OG 3.45Å; S387-T389 VanDerWaalsContact C-N 3.35Å; S387-T389 PolarHBondContact O-N 3.33Å |
| 388 | R | 56 | Low | 60.2 | Low | 104 Ų | 104 | 107.6 Ų | 107.6 | 39% | 0.392 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -72.4 | 81.5 | 172.6 | -64.2 | 170.6 | 162.3 | -143.1 | -26.6 | 111.6 | E385 A386 P390 G397 R398 | E385-R388 WeakPolarHBondContact O-CB 3.24Å; A386-R388 PolarHBondContact O-N 2.75Å; R388-P390 WeakPolarHBondContact O-CD 3.46Å; R388-G397 PolarHBondContact NH2-O 3.48Å; R388-R398 VanDerWaalsContact NH2-N 3.11Å |
| 389 | T | 48 | Very low | 58.4 | Low | 103 Ų | 103 | 105.9 Ų | 105.9 | 63% | 0.632 | 59% | 0.592 | S | S | * | * | trans | -54.9 | 117.6 | 176.6 | 25.7 | 0 | 0 | 0 | 0 | 111.7 | S387 G391 | S387-T389 VanDerWaalsContact C-N 3.35Å; S387-T389 PolarHBondContact O-N 3.33Å; T389-G391 VanDerWaalsContact C-N 3.32Å; T389-G391 PolarHBondContact O-N 3.03Å | ||
| 390 | P | 49.2 | Very low | 56.6 | Low | 143 Ų | 143 | 103 Ų | 103 | 93% | 0.929 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 78.9 | -177 | -18.9 | 33.7 | 0 | 0 | 0 | 112.9 | R388 | R388-P390 WeakPolarHBondContact O-CD 3.46Š|
| 391 | G | 49.6 | Very low | 55.2 | Low | 77 Ų | 77 | 105 Ų | 105 | 79% | 0.794 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.1 | -11.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | T389 | T389-G391 VanDerWaalsContact C-N 3.32Å; T389-G391 PolarHBondContact O-N 3.03Å |
| 392 | L | 44.7 | Very low | 54.1 | Low | 136 Ų | 136 | 106.4 Ų | 106.4 | 71% | 0.712 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -136.6 | 148.2 | -178.7 | -147.8 | 68.2 | 0 | 0 | 0 | 111.2 | ||
| 393 | M | 42.8 | Very low | 53.3 | Low | 147 Ų | 147 | 104.5 Ų | 104.5 | 72% | 0.724 | 59% | 0.585 | S | S | * | * | trans | 56.6 | 74.6 | -172.8 | -57.9 | -48.1 | -171 | 0 | 0 | 115.8 | G395 | M393-G395 PolarHBondContact O-N 2.78Š| ||
| 394 | K | 44.7 | Very low | 53.5 | Low | 229 Ų | 229 | 102 Ų | 102 | 100% | 0.996 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 70.2 | 162.4 | -171.9 | -175.3 | 178.9 | 179.5 | 0 | 110.4 | ||
| 395 | G | 45.3 | Very low | 54 | Low | 70 Ų | 70 | 105.7 Ų | 105.7 | 72% | 0.722 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.2 | -32.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | M393 G397 | M393-G395 PolarHBondContact O-N 2.78Å; G395-G397 PolarHBondContact O-N 2.9Å |
| 396 | E | 43.7 | Very low | 54.9 | Low | 150 Ų | 150 | 102.7 Ų | 102.7 | 70% | 0.701 | 60% | 0.595 | S | S | * | * | trans | -87.1 | 108.1 | 176.7 | -71 | 172.4 | 174 | 0 | 0 | 109.5 | ||||
| 397 | G | 51.3 | Low | 55.8 | Low | 28 Ų | 28 | 103.2 Ų | 103.2 | 29% | 0.289 | 58% | 0.583 | S | S | . | * | trans | -84.5 | -141.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | R388 G395 D401 | R388-G397 PolarHBondContact NH2-O 3.48Å; G395-G397 PolarHBondContact O-N 2.9Å; G397-D401 WeakPolarHBondContact CA-OD2 3.27Å | ||
| 398 | R | 51.7 | Low | 56.7 | Low | 118 Ų | 118 | 101 Ų | 101 | 45% | 0.445 | 56% | 0.562 | S | S | . | * | trans | -76.2 | 173.7 | 172 | -88.3 | 175.7 | 168.6 | -128 | -10.1 | 110.9 | E384 E385 R388 S400 D401 M402 | E384-R398 VanDerWaalsContact OE1-CA 3.27Å; E384-R398 WeakPolarHBondContact OE1-CA 3.36Å; E384-R398 WeakPolarHBondContact OE1-CB 3.31Å; E384-R398 WeakPolarHBondContact OE1-CG 3.4Å; E385-R398 IonicContact OE1-CZ 3.54Å; E385-R398 IonicContact OE1-NH2 2.7Å; E385-R398 PolarHBondContact OE1-NH2 2.92Å; R388-R398 VanDerWaalsContact NH2-N 3.11Å; R398-S400 PolarHBondContact O-N 3.02Å; R398-S400 VanDerWaalsContact O-N 3.15Å; R398-D401 PolarHBondContact N-OD2 2.98Å; R398-D401 PolarHBondContact O-N 3.04Å; R398-M402 PolarHBondContact O-N 3.02Å | ||
| 399 | L | 51.5 | Low | 58 | Low | 100 Ų | 100 | 99.7 Ų | 99.7 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -36.8 | -45.9 | 153.7 | 66.8 | 53.8 | 0 | 0 | 0 | 112.1 | E384 D401 M402 | E384-L399 PolarHBondContact OE1-N 3.23Å; L399-D401 VanDerWaalsContact C-N 3.34Å; L399-D401 PolarHBondContact O-N 2.95Å; L399-M402 HydrophobicContact CD2-CE 4.09Å |
| 400 | S | 50 | Low | 59.9 | Low | 52 Ų | 52 | 100.1 Ų | 100.1 | 36% | 0.364 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -49 | -50.2 | 170.7 | 161.5 | 0 | 0 | 0 | 0 | 112.8 | R398 M402 L403 K408 | R398-S400 PolarHBondContact O-N 3.02Å; R398-S400 VanDerWaalsContact O-N 3.15Å; S400-M402 VanDerWaalsContact C-N 3.34Å; S400-M402 PolarHBondContact O-N 3.45Å; S400-L403 PolarHBondContact O-N 3.26Å; S400-L403 VanDerWaalsContact O-O 3.06Å; S400-K408 WeakPolarHBondContact O-CE 3.49Å; S400-K408 PolarHBondContact O-NZ 3.09Å; S400-K408 VanDerWaalsContact O-NZ 3.12Å; S400-K408 PolarHBondContact OG-NZ 3.26Å; S400-K408 VanDerWaalsContact OG-NZ 3.09Å |
| 401 | D | 51.9 | Low | 61.5 | Low | 97 Ų | 97 | 98.5 Ų | 98.5 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -90.1 | -7.1 | -159.9 | -45.5 | -32.5 | 0 | 0 | 0 | 112.4 | G397 R398 L399 | G397-D401 WeakPolarHBondContact CA-OD2 3.27Å; R398-D401 PolarHBondContact N-OD2 2.98Å; R398-D401 PolarHBondContact O-N 3.04Å; L399-D401 VanDerWaalsContact C-N 3.34Å; L399-D401 PolarHBondContact O-N 2.95Å |
| 402 | M | 56.8 | Low | 63.1 | Low | 125 Ų | 125 | 100 Ų | 100 | 62% | 0.616 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -85.1 | -27.9 | 164.8 | -65.7 | -138.9 | -59.8 | 0 | 0 | 113.2 | R398 L399 S400 | R398-M402 PolarHBondContact O-N 3.02Å; L399-M402 HydrophobicContact CD2-CE 4.09Å; S400-M402 VanDerWaalsContact C-N 3.34Å; S400-M402 PolarHBondContact O-N 3.45Å |
| 403 | L | 60.2 | Low | 65.3 | Low | 63 Ų | 63 | 98.2 Ų | 98.2 | 33% | 0.33 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -82.1 | 132 | 176 | -67 | 171.1 | 0 | 0 | 0 | 109.7 | S400 E407 K408 L411 | S400-L403 PolarHBondContact O-N 3.26Å; S400-L403 VanDerWaalsContact O-O 3.06Å; L403-E407 HydrophobicContact CB-CB 4.29Å; L403-E407 HydrophobicContact CD2-CB 4.06Å; L403-K408 HydrophobicContact CB-CG 4.05Å; L403-K408 VanDerWaalsContact O-CE 3.24Å; L403-K408 WeakPolarHBondContact O-CE 3.38Å; L403-L411 HydrophobicContact CD1-CD2 4.27Å |
| 404 | T | 77.6 | Confident | 67.5 | Low | 81 Ų | 81 | 93.7 Ų | 93.7 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | trans | -65 | 156.1 | 169.8 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | G406 E407 K408 | T404-G406 PolarHBondContact O-N 3.02Å; T404-G406 VanDerWaalsContact O-N 3.11Å; T404-E407 VanDerWaalsContact CB-OE2 3.28Å; T404-E407 WeakPolarHBondContact CB-OE2 3.27Å; T404-E407 WeakPolarHBondContact CG2-OE2 3.5Å; T404-E407 PolarHBondContact N-OE2 2.91Å; T404-E407 PolarHBondContact O-N 3.27Å; T404-E407 WeakPolarHBondContact OG1-CG 3.12Å; T404-E407 PolarHBondContact OG1-N 3.11Å; T404-E407 PolarHBondContact OG1-OE2 3.49Å; T404-K408 PolarHBondContact O-N 3.31Å | ||
| 405 | E | 75.8 | Confident | 69.4 | Low | 122 Ų | 122 | 86.8 Ų | 86.8 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -56.9 | -29.4 | 177 | -65.7 | -57.5 | 135.3 | 0 | 0 | 112.6 | K408 E409 | E405-K408 WeakPolarHBondContact OE1-CD 3.28Å; E405-K408 WeakPolarHBondContact OE1-CE 3.35Å; E405-K408 IonicContact OE1-NZ 3.96Å; E405-K408 PolarHBondContact OE1-NZ 3.1Å; E405-E409 WeakPolarHBondContact O-CB 3.24Å; E405-E409 PolarHBondContact O-N 3.48Å |
| 406 | G | 82.2 | Confident | 71.3 | Confident | 44 Ų | 44 | 86.3 Ų | 86.3 | 45% | 0.454 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | T404 E409 E410 | T404-G406 PolarHBondContact O-N 3.02Å; T404-G406 VanDerWaalsContact O-N 3.11Å; G406-E409 PolarHBondContact O-N 3.13Å; G406-E410 WeakPolarHBondContact O-CB 3.41Å; G406-E410 PolarHBondContact O-N 3.42Å |
| 407 | E | 81.4 | Confident | 73.5 | Confident | 94 Ų | 94 | 84.8 Ų | 84.8 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.6 | -33.3 | 178.1 | -66.8 | 160.1 | 121.9 | 0 | 0 | 112.4 | L403 T404 E410 L411 | L403-E407 HydrophobicContact CB-CB 4.29Å; L403-E407 HydrophobicContact CD2-CB 4.06Å; T404-E407 VanDerWaalsContact CB-OE2 3.28Å; T404-E407 WeakPolarHBondContact CB-OE2 3.27Å; T404-E407 WeakPolarHBondContact CG2-OE2 3.5Å; T404-E407 PolarHBondContact N-OE2 2.91Å; T404-E407 PolarHBondContact O-N 3.27Å; T404-E407 WeakPolarHBondContact OG1-CG 3.12Å; T404-E407 PolarHBondContact OG1-N 3.11Å; T404-E407 PolarHBondContact OG1-OE2 3.49Å; E407-E410 WeakPolarHBondContact O-CB 3.37Å; E407-E410 PolarHBondContact O-N 2.8Å; E407-L411 WeakPolarHBondContact O-CB 3.14Å; E407-L411 PolarHBondContact O-N 3.06Å |
| 408 | K | 77 | Confident | 75.5 | Confident | 38 Ų | 38 | 91.5 Ų | 91.5 | 17% | 0.165 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 169.5 | -67.1 | 178.5 | -168.1 | 177.5 | 0 | 111.5 | S400 L403 T404 E405 E410 L411 R412 | S400-K408 WeakPolarHBondContact O-CE 3.49Å; S400-K408 PolarHBondContact O-NZ 3.09Å; S400-K408 VanDerWaalsContact O-NZ 3.12Å; S400-K408 PolarHBondContact OG-NZ 3.26Å; S400-K408 VanDerWaalsContact OG-NZ 3.09Å; L403-K408 HydrophobicContact CB-CG 4.05Å; L403-K408 VanDerWaalsContact O-CE 3.24Å; L403-K408 WeakPolarHBondContact O-CE 3.38Å; T404-K408 PolarHBondContact O-N 3.31Å; E405-K408 WeakPolarHBondContact OE1-CD 3.28Å; E405-K408 WeakPolarHBondContact OE1-CE 3.35Å; E405-K408 IonicContact OE1-NZ 3.96Å; E405-K408 PolarHBondContact OE1-NZ 3.1Å; K408-E410 VanDerWaalsContact C-N 3.33Å; K408-L411 PolarHBondContact O-N 3.08Å; K408-R412 VanDerWaalsContact O-CB 3.3Å; K408-R412 WeakPolarHBondContact O-CB 3.5Å; K408-R412 PolarHBondContact O-N 2.96Å |
| 409 | E | 82.1 | Confident | 77 | Confident | 77 Ų | 77 | 90.3 Ų | 90.3 | 36% | 0.36 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.4 | -35 | 177.5 | -151.7 | 63.3 | -118.4 | 0 | 0 | 111.1 | E405 G406 R412 R413 | E405-E409 WeakPolarHBondContact O-CB 3.24Å; E405-E409 PolarHBondContact O-N 3.48Å; G406-E409 PolarHBondContact O-N 3.13Å; E409-R412 IonicContact OE1-CZ 2.9Å; E409-R412 IonicContact OE1-NE 2.75Å; E409-R412 IonicContact OE1-NH1 2.66Å; E409-R412 PolarHBondContact OE1-NH1 3Å; E409-R412 IonicContact OE2-CZ 3.13Å; E409-R412 IonicContact OE2-NH1 3.67Å; E409-R412 PolarHBondContact OE2-NH1 2.87Å; E409-R412 IonicContact OE2-NH2 2.6Å; E409-R413 VanDerWaalsContact O-CB 3.26Å; E409-R413 WeakPolarHBondContact O-CB 3.44Å; E409-R413 WeakPolarHBondContact O-CG 3.42Å; E409-R413 PolarHBondContact O-N 2.94Å; E409-R413 PolarHBondContact O-NE 3.44Å |
| 410 | E | 87.7 | Confident | 78.8 | Confident | 111 Ų | 111 | 92.9 Ų | 92.9 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.7 | -52 | 171.2 | -150.7 | 76.4 | -114.1 | 0 | 0 | 111.1 | G406 E407 K408 R412 R413 A414 | G406-E410 WeakPolarHBondContact O-CB 3.41Å; G406-E410 PolarHBondContact O-N 3.42Å; E407-E410 WeakPolarHBondContact O-CB 3.37Å; E407-E410 PolarHBondContact O-N 2.8Å; K408-E410 VanDerWaalsContact C-N 3.33Å; E410-R412 PolarHBondContact O-N 3.38Å; E410-R413 PolarHBondContact O-N 2.92Å; E410-R413 IonicContact OE1-CZ 3.85Å; E410-R413 VanDerWaalsContact OE1-CZ 3.27Å; E410-R413 IonicContact OE1-NH1 2.66Å; E410-R413 PolarHBondContact OE1-NH1 3.24Å; E410-R413 IonicContact OE1-NH2 3.27Å; E410-R413 PolarHBondContact OE1-NH2 3.24Å; E410-R413 VanDerWaalsContact OE1-NH2 3.13Å; E410-R413 IonicContact OE2-CZ 3.92Å; E410-R413 IonicContact OE2-NH1 3.82Å; E410-R413 IonicContact OE2-NH2 3.81Å; E410-R413 PolarHBondContact OE2-NH2 3.02Å; E410-A414 WeakPolarHBondContact O-CB 3.43Å; E410-A414 PolarHBondContact O-N 3.48Å |
| 411 | L | 83.6 | Confident | 80.7 | Confident | 109 Ų | 109 | 93.7 Ų | 93.7 | 57% | 0.571 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.1 | -38.7 | -179.9 | -176.7 | 61.3 | 0 | 0 | 0 | 112.1 | L403 E407 K408 A414 M415 | L403-L411 HydrophobicContact CD1-CD2 4.27Å; E407-L411 WeakPolarHBondContact O-CB 3.14Å; E407-L411 PolarHBondContact O-N 3.06Å; K408-L411 PolarHBondContact O-N 3.08Å; L411-A414 PolarHBondContact O-N 3Å; L411-M415 WeakPolarHBondContact O-CB 3.32Å; L411-M415 PolarHBondContact O-N 3.47Å |
| 412 | R | 83.5 | Confident | 82.4 | Confident | 109 Ų | 109 | 91.2 Ų | 91.2 | 41% | 0.411 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 173.8 | -166.5 | -175.9 | -55.8 | 141.5 | 7.3 | 110.9 | K408 E409 E410 A414 M415 D416 | K408-R412 VanDerWaalsContact O-CB 3.3Å; K408-R412 WeakPolarHBondContact O-CB 3.5Å; K408-R412 PolarHBondContact O-N 2.96Å; E409-R412 IonicContact OE1-CZ 2.9Å; E409-R412 IonicContact OE1-NE 2.75Å; E409-R412 IonicContact OE1-NH1 2.66Å; E409-R412 PolarHBondContact OE1-NH1 3Å; E409-R412 IonicContact OE2-CZ 3.13Å; E409-R412 IonicContact OE2-NH1 3.67Å; E409-R412 PolarHBondContact OE2-NH1 2.87Å; E409-R412 IonicContact OE2-NH2 2.6Å; E410-R412 PolarHBondContact O-N 3.38Å; R412-A414 VanDerWaalsContact C-N 3.3Å; R412-A414 PolarHBondContact O-N 2.86Å; R412-M415 PolarHBondContact O-N 3.34Å; R412-D416 WeakPolarHBondContact O-CB 3.46Å; R412-D416 PolarHBondContact O-N 3.47Å |
| 413 | R | 90.3 | Very high | 83.6 | Confident | 99 Ų | 99 | 89.8 Ų | 89.8 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 175.1 | -75.3 | 176.9 | -72.1 | 120.3 | -6 | 112 | E409 E410 Q417 | E409-R413 VanDerWaalsContact O-CB 3.26Å; E409-R413 WeakPolarHBondContact O-CB 3.44Å; E409-R413 WeakPolarHBondContact O-CG 3.42Å; E409-R413 PolarHBondContact O-N 2.94Å; E409-R413 PolarHBondContact O-NE 3.44Å; E410-R413 PolarHBondContact O-N 2.92Å; E410-R413 IonicContact OE1-CZ 3.85Å; E410-R413 VanDerWaalsContact OE1-CZ 3.27Å; E410-R413 IonicContact OE1-NH1 2.66Å; E410-R413 PolarHBondContact OE1-NH1 3.24Å; E410-R413 IonicContact OE1-NH2 3.27Å; E410-R413 PolarHBondContact OE1-NH2 3.24Å; E410-R413 VanDerWaalsContact OE1-NH2 3.13Å; E410-R413 IonicContact OE2-CZ 3.92Å; E410-R413 IonicContact OE2-NH1 3.82Å; E410-R413 IonicContact OE2-NH2 3.81Å; E410-R413 PolarHBondContact OE2-NH2 3.02Å; R413-Q417 WeakPolarHBondContact O-CB 3.37Å; R413-Q417 VanDerWaalsContact O-CG 3.23Å; R413-Q417 WeakPolarHBondContact O-CG 3.5Å; R413-Q417 PolarHBondContact O-N 3.25Å |
| 414 | A | 90.1 | Very high | 84.8 | Confident | 51 Ų | 51 | 90.4 Ų | 90.4 | 42% | 0.421 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.3 | -46 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E410 L411 R412 D416 Q417 W418 | E410-A414 WeakPolarHBondContact O-CB 3.43Å; E410-A414 PolarHBondContact O-N 3.48Å; L411-A414 PolarHBondContact O-N 3Å; R412-A414 VanDerWaalsContact C-N 3.3Å; R412-A414 PolarHBondContact O-N 2.86Å; A414-D416 VanDerWaalsContact C-N 3.33Å; A414-D416 PolarHBondContact O-N 3Å; A414-Q417 WeakPolarHBondContact O-CB 3.35Å; A414-Q417 PolarHBondContact O-N 3.37Å; A414-W418 PolarHBondContact O-N 3.41Å |
| 415 | M | 83.4 | Confident | 85.3 | Confident | 84 Ų | 84 | 90.6 Ų | 90.6 | 41% | 0.414 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 174.9 | -179.1 | -170.6 | 54.9 | 0 | 0 | 111.3 | L411 R412 Q417 W418 K419 | L411-M415 WeakPolarHBondContact O-CB 3.32Å; L411-M415 PolarHBondContact O-N 3.47Å; R412-M415 PolarHBondContact O-N 3.34Å; M415-Q417 VanDerWaalsContact C-N 3.34Å; M415-W418 PolarHBondContact O-N 3.13Å; M415-K419 VanDerWaalsContact CE-NZ 3.3Å; M415-K419 HydrophobicContact CG-CD 4.32Å; M415-K419 WeakPolarHBondContact O-CG 3.2Å; M415-K419 PolarHBondContact O-N 2.98Å; M415-K419 PolarHBondContact SD-NZ 3.42Å |
| 416 | D | 86.6 | Confident | 85.7 | Confident | 61 Ų | 61 | 89.1 Ų | 89.1 | 33% | 0.326 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -75.5 | -22.3 | -179.6 | -66.9 | -26.4 | 0 | 0 | 0 | 112.6 | R412 A414 K419 R420 | R412-D416 WeakPolarHBondContact O-CB 3.46Å; R412-D416 PolarHBondContact O-N 3.47Å; A414-D416 VanDerWaalsContact C-N 3.33Å; A414-D416 PolarHBondContact O-N 3Å; D416-K419 IonicContact OD1-NZ 2.67Å; D416-K419 PolarHBondContact OD1-NZ 3.03Å; D416-R420 WeakPolarHBondContact O-CG 2.79Å; D416-R420 PolarHBondContact O-N 3.27Å; D416-R420 PolarHBondContact O-NE 2.93Å; D416-R420 PolarHBondContact O-NH2 3.49Å |
| 417 | Q | 89.7 | Confident | 85.9 | Confident | 117 Ų | 117 | 94.6 Ų | 94.6 | 55% | 0.547 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.3 | -47.7 | 164.5 | -76.8 | 174.1 | 40.8 | 0 | 0 | 111.2 | R413 A414 M415 K419 R420 C421 | R413-Q417 WeakPolarHBondContact O-CB 3.37Å; R413-Q417 VanDerWaalsContact O-CG 3.23Å; R413-Q417 WeakPolarHBondContact O-CG 3.5Å; R413-Q417 PolarHBondContact O-N 3.25Å; A414-Q417 WeakPolarHBondContact O-CB 3.35Å; A414-Q417 PolarHBondContact O-N 3.37Å; M415-Q417 VanDerWaalsContact C-N 3.34Å; Q417-K419 PolarHBondContact O-N 3.08Å; Q417-R420 VanDerWaalsContact CG-NH2 3.33Å; Q417-R420 WeakPolarHBondContact O-CB 3.31Å; Q417-R420 PolarHBondContact O-N 3.21Å; Q417-R420 VanDerWaalsContact O-N 3.16Å; Q417-C421 PolarHBondContact O-N 3.41Å |
| 418 | W | 91.6 | Very high | 86.3 | Confident | 169 Ų | 169 | 96.4 Ų | 96.4 | 64% | 0.64 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.1 | -47.1 | 178.2 | 176.2 | 77.2 | 0 | 0 | 0 | 112.2 | A414 M415 R420 C421 V422 | A414-W418 PolarHBondContact O-N 3.41Å; M415-W418 PolarHBondContact O-N 3.13Å; W418-R420 VanDerWaalsContact C-N 3.29Å; W418-R420 PolarHBondContact O-N 3.49Å; W418-C421 WeakPolarHBondContact O-CB 3.39Å; W418-C421 PolarHBondContact O-N 3.1Å; W418-C421 VanDerWaalsContact O-N 3.08Å; W418-V422 HydrophobicContact CD2-CG2 4.18Å; W418-V422 HydrophobicContact CH2-CG2 4.49Å; W418-V422 HydrophobicContact CZ2-CG2 3.85Å; W418-V422 WeakPolarHBondContact O-CG2 3.16Å; W418-V422 PolarHBondContact O-N 3.48Å |
| 419 | K | 83.4 | Confident | 86.7 | Confident | 94 Ų | 94 | 102.5 Ų | 102.5 | 41% | 0.409 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -55.5 | -42.3 | 173.6 | -74.6 | 173.7 | -176.6 | 166.6 | 0 | 112.2 | M415 D416 Q417 M423 | M415-K419 VanDerWaalsContact CE-NZ 3.3Å; M415-K419 HydrophobicContact CG-CD 4.32Å; M415-K419 WeakPolarHBondContact O-CG 3.2Å; M415-K419 PolarHBondContact O-N 2.98Å; M415-K419 PolarHBondContact SD-NZ 3.42Å; D416-K419 IonicContact OD1-NZ 2.67Å; D416-K419 PolarHBondContact OD1-NZ 3.03Å; Q417-K419 PolarHBondContact O-N 3.08Å; K419-M423 WeakPolarHBondContact O-CB 3.34Å; K419-M423 WeakPolarHBondContact O-CG 3.48Å; K419-M423 PolarHBondContact O-N 3.27Å |
| 420 | R | 90 | Very high | 86.7 | Confident | 154 Ų | 154 | 103.9 Ų | 103.9 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.8 | -40.6 | 175.9 | -81.2 | 176.7 | -73.7 | 155.8 | -6.4 | 112 | D416 Q417 W418 M423 C424 | D416-R420 WeakPolarHBondContact O-CG 2.79Å; D416-R420 PolarHBondContact O-N 3.27Å; D416-R420 PolarHBondContact O-NE 2.93Å; D416-R420 PolarHBondContact O-NH2 3.49Å; Q417-R420 VanDerWaalsContact CG-NH2 3.33Å; Q417-R420 WeakPolarHBondContact O-CB 3.31Å; Q417-R420 PolarHBondContact O-N 3.21Å; Q417-R420 VanDerWaalsContact O-N 3.16Å; W418-R420 VanDerWaalsContact C-N 3.29Å; W418-R420 PolarHBondContact O-N 3.49Å; R420-M423 PolarHBondContact O-N 3.23Å; R420-C424 PolarHBondContact O-N 3.44Å; R420-C424 PolarHBondContact O-SG 2.84Å; R420-C424 VanDerWaalsContact O-SG 3.32Å |
| 421 | C | 89.6 | Confident | 86.6 | Confident | 68 Ų | 68 | 100.4 Ų | 100.4 | 46% | 0.459 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.7 | -54.1 | 176.2 | -157.8 | 0 | 0 | 0 | 0 | 111.1 | Q417 W418 M423 C424 E425 | Q417-C421 PolarHBondContact O-N 3.41Å; W418-C421 WeakPolarHBondContact O-CB 3.39Å; W418-C421 PolarHBondContact O-N 3.1Å; W418-C421 VanDerWaalsContact O-N 3.08Å; C421-M423 VanDerWaalsContact C-N 3.33Å; C421-M423 PolarHBondContact O-N 3Å; C421-C424 WeakPolarHBondContact O-CA 3.25Å; C421-C424 WeakPolarHBondContact O-CB 3.47Å; C421-C424 PolarHBondContact O-N 2.89Å; C421-E425 WeakPolarHBondContact O-CG 3.01Å; C421-E425 PolarHBondContact O-N 3.34Å; C421-E425 PolarHBondContact SG-OE1 3.49Å |
| 422 | V | 87.6 | Confident | 86.9 | Confident | 45 Ų | 45 | 99 Ų | 99 | 27% | 0.273 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.8 | -41.4 | 178.5 | 175 | 0 | 0 | 0 | 0 | 112 | W418 C424 E425 L426 | W418-V422 HydrophobicContact CD2-CG2 4.18Å; W418-V422 HydrophobicContact CH2-CG2 4.49Å; W418-V422 HydrophobicContact CZ2-CG2 3.85Å; W418-V422 WeakPolarHBondContact O-CG2 3.16Å; W418-V422 PolarHBondContact O-N 3.48Å; V422-C424 VanDerWaalsContact C-N 3.3Å; V422-C424 PolarHBondContact O-N 3.21Å; V422-E425 PolarHBondContact O-N 3.26Å; V422-L426 HydrophobicContact CG1-CD1 4.05Å; V422-L426 WeakPolarHBondContact O-CB 3.41Å; V422-L426 WeakPolarHBondContact O-CG 3.39Å; V422-L426 PolarHBondContact O-N 2.77Å |
| 423 | M | 81.5 | Confident | 87.1 | Confident | 96 Ų | 96 | 97.6 Ų | 97.6 | 47% | 0.473 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.2 | -24.7 | 176.6 | -71.2 | -63.7 | -60.9 | 0 | 0 | 113.7 | K419 R420 C421 L426 R427 | K419-M423 WeakPolarHBondContact O-CB 3.34Å; K419-M423 WeakPolarHBondContact O-CG 3.48Å; K419-M423 PolarHBondContact O-N 3.27Å; R420-M423 PolarHBondContact O-N 3.23Å; C421-M423 VanDerWaalsContact C-N 3.33Å; C421-M423 PolarHBondContact O-N 3Å; M423-L426 HydrophobicContact SD-CD1 4.42Å; M423-R427 VanDerWaalsContact O-CD 3.26Å; M423-R427 WeakPolarHBondContact O-CD 3.46Å; M423-R427 VanDerWaalsContact O-CG 3.25Å; M423-R427 WeakPolarHBondContact O-CG 3.47Å |
| 424 | C | 86.6 | Confident | 87 | Confident | 75 Ų | 75 | 98 Ų | 98 | 51% | 0.507 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -77.4 | -46.7 | 170.3 | -72.5 | 0 | 0 | 0 | 0 | 111.3 | R420 C421 V422 L426 R427 E428 | R420-C424 PolarHBondContact O-N 3.44Å; R420-C424 PolarHBondContact O-SG 2.84Å; R420-C424 VanDerWaalsContact O-SG 3.32Å; C421-C424 WeakPolarHBondContact O-CA 3.25Å; C421-C424 WeakPolarHBondContact O-CB 3.47Å; C421-C424 PolarHBondContact O-N 2.89Å; V422-C424 VanDerWaalsContact C-N 3.3Å; V422-C424 PolarHBondContact O-N 3.21Å; C424-L426 VanDerWaalsContact C-N 3.33Å; C424-L426 PolarHBondContact O-N 2.96Å; C424-R427 PolarHBondContact O-N 3.02Å; C424-E428 PolarHBondContact O-N 2.87Å |
| 425 | E | 87.2 | Confident | 87 | Confident | 85 Ų | 85 | 100 Ų | 100 | 40% | 0.397 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 178 | -71.9 | 171.9 | -132.8 | 0 | 0 | 112.3 | C421 V422 E428 R429 | C421-E425 WeakPolarHBondContact O-CG 3.01Å; C421-E425 PolarHBondContact O-N 3.34Å; C421-E425 PolarHBondContact SG-OE1 3.49Å; V422-E425 PolarHBondContact O-N 3.26Å; E425-E428 PolarHBondContact O-N 2.93Å; E425-R429 WeakPolarHBondContact O-CG 3.49Å; E425-R429 PolarHBondContact O-N 3.16Å |
| 426 | L | 84.3 | Confident | 87.3 | Confident | 91 Ų | 91 | 99.7 Ų | 99.7 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -49 | 174.8 | -76.3 | 167.6 | 0 | 0 | 0 | 111.8 | V422 M423 C424 E428 R429 D430 | V422-L426 HydrophobicContact CG1-CD1 4.05Å; V422-L426 WeakPolarHBondContact O-CB 3.41Å; V422-L426 WeakPolarHBondContact O-CG 3.39Å; V422-L426 PolarHBondContact O-N 2.77Å; M423-L426 HydrophobicContact SD-CD1 4.42Å; C424-L426 VanDerWaalsContact C-N 3.33Å; C424-L426 PolarHBondContact O-N 2.96Å; L426-E428 VanDerWaalsContact C-N 3.29Å; L426-E428 PolarHBondContact O-N 2.91Å; L426-R429 WeakPolarHBondContact O-CB 3.31Å; L426-R429 PolarHBondContact O-N 2.6Å; L426-D430 PolarHBondContact O-N 2.67Å |
| 427 | R | 87.3 | Confident | 87 | Confident | 159 Ų | 159 | 103.6 Ų | 103.6 | 60% | 0.6 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.1 | -35 | 177.8 | -70 | 168.7 | -178.7 | 163.4 | -1.5 | 112.6 | M423 C424 A431 | M423-R427 VanDerWaalsContact O-CD 3.26Å; M423-R427 WeakPolarHBondContact O-CD 3.46Å; M423-R427 VanDerWaalsContact O-CG 3.25Å; M423-R427 WeakPolarHBondContact O-CG 3.47Å; C424-R427 PolarHBondContact O-N 3.02Å; R427-A431 VanDerWaalsContact O-CB 3.23Å; R427-A431 WeakPolarHBondContact O-CB 3.46Å; R427-A431 PolarHBondContact O-N 3.08Å |
| 428 | E | 89.6 | Confident | 86.5 | Confident | 132 Ų | 132 | 102.5 Ų | 102.5 | 62% | 0.617 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.5 | -38 | 176.4 | -174.7 | 167.1 | -141.2 | 0 | 0 | 111.8 | C424 E425 L426 A431 Q432 | C424-E428 PolarHBondContact O-N 2.87Å; E425-E428 PolarHBondContact O-N 2.93Å; L426-E428 VanDerWaalsContact C-N 3.29Å; L426-E428 PolarHBondContact O-N 2.91Å; E428-A431 PolarHBondContact O-N 3.01Å; E428-Q432 PolarHBondContact O-N 3.07Å |
| 429 | R | 84.4 | Confident | 86.2 | Confident | 167 Ų | 167 | 99.8 Ų | 99.8 | 63% | 0.63 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.2 | -46.6 | 172.3 | -67.2 | -83.1 | 166.6 | 64.2 | 9.6 | 111.7 | E425 L426 A431 Q432 I433 | E425-R429 WeakPolarHBondContact O-CG 3.49Å; E425-R429 PolarHBondContact O-N 3.16Å; L426-R429 WeakPolarHBondContact O-CB 3.31Å; L426-R429 PolarHBondContact O-N 2.6Å; R429-A431 VanDerWaalsContact C-N 3.32Å; R429-A431 PolarHBondContact O-N 3Å; R429-Q432 PolarHBondContact O-N 3.34Å; R429-Q432 VanDerWaalsContact O-N 3.15Å; R429-I433 WeakPolarHBondContact O-CG1 3.43Å; R429-I433 PolarHBondContact O-N 2.67Å |
| 430 | D | 83.4 | Confident | 86.3 | Confident | 105 Ų | 105 | 100.8 Ų | 100.8 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.6 | -43.5 | 175.3 | -70.3 | -30.4 | 0 | 0 | 0 | 111.3 | L426 Q432 I433 L434 | L426-D430 PolarHBondContact O-N 2.67Å; D430-Q432 VanDerWaalsContact C-N 3.33Å; D430-Q432 PolarHBondContact O-N 3.35Å; D430-I433 PolarHBondContact O-N 3.4Å; D430-L434 PolarHBondContact O-N 3.41Å |
| 431 | A | 85.8 | Confident | 85.7 | Confident | 38 Ų | 38 | 98.4 Ų | 98.4 | 31% | 0.314 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.3 | -32.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R427 E428 R429 R435 | R427-A431 VanDerWaalsContact O-CB 3.23Å; R427-A431 WeakPolarHBondContact O-CB 3.46Å; R427-A431 PolarHBondContact O-N 3.08Å; E428-A431 PolarHBondContact O-N 3.01Å; R429-A431 VanDerWaalsContact C-N 3.32Å; R429-A431 PolarHBondContact O-N 3Å; A431-R435 WeakPolarHBondContact O-CG 3.49Å; A431-R435 PolarHBondContact O-N 3.28Å; A431-R435 PolarHBondContact O-NH1 3.05Å |
| 432 | Q | 90.3 | Very high | 85.1 | Confident | 79 Ų | 79 | 100.6 Ų | 100.6 | 37% | 0.369 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -48.1 | 172.5 | -171 | 62.1 | 44.4 | 0 | 0 | 111.2 | E428 R429 D430 L434 R435 D436 | E428-Q432 PolarHBondContact O-N 3.07Å; R429-Q432 PolarHBondContact O-N 3.34Å; R429-Q432 VanDerWaalsContact O-N 3.15Å; D430-Q432 VanDerWaalsContact C-N 3.33Å; D430-Q432 PolarHBondContact O-N 3.35Å; Q432-L434 PolarHBondContact O-N 3.14Å; Q432-R435 WeakPolarHBondContact O-CA 3.49Å; Q432-R435 WeakPolarHBondContact O-CB 3.19Å; Q432-R435 PolarHBondContact O-N 2.89Å; Q432-R435 VanDerWaalsContact OE1-CZ 3.3Å; Q432-D436 PolarHBondContact NE2-OD1 3.36Å; Q432-D436 PolarHBondContact O-N 2.8Å |
| 433 | I | 86.1 | Confident | 84.6 | Confident | 81 Ų | 81 | 104 Ų | 104 | 42% | 0.415 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.1 | -35.1 | 176.1 | -66.6 | 163.4 | 0 | 0 | 0 | 111 | R429 D430 R437 | R429-I433 WeakPolarHBondContact O-CG1 3.43Å; R429-I433 PolarHBondContact O-N 2.67Å; D430-I433 PolarHBondContact O-N 3.4Å; I433-R437 WeakPolarHBondContact O-CB 3.4Å; I433-R437 VanDerWaalsContact O-CG 3.23Å; I433-R437 WeakPolarHBondContact O-CG 3.27Å; I433-R437 PolarHBondContact O-N 3.3Å; I433-R437 VanDerWaalsContact O-N 3.17Å |
| 434 | L | 88.8 | Confident | 84.1 | Confident | 108 Ų | 108 | 103.3 Ų | 103.3 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.7 | -42.4 | 174 | -160.8 | 75.8 | 0 | 0 | 0 | 112.5 | D430 Q432 M438 | D430-L434 PolarHBondContact O-N 3.41Å; Q432-L434 PolarHBondContact O-N 3.14Å; L434-M438 WeakPolarHBondContact O-CG 3.39Å; L434-M438 PolarHBondContact O-N 2.98Å |
| 435 | R | 90.5 | Very high | 82.9 | Confident | 93 Ų | 93 | 104 Ų | 104 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -53 | 173.8 | -74.6 | -177.1 | -69.3 | -91.1 | 9.2 | 111.4 | A431 Q432 R437 M438 E439 | A431-R435 WeakPolarHBondContact O-CG 3.49Å; A431-R435 PolarHBondContact O-N 3.28Å; A431-R435 PolarHBondContact O-NH1 3.05Å; Q432-R435 WeakPolarHBondContact O-CA 3.49Å; Q432-R435 WeakPolarHBondContact O-CB 3.19Å; Q432-R435 PolarHBondContact O-N 2.89Å; Q432-R435 VanDerWaalsContact OE1-CZ 3.3Å; R435-R437 PolarHBondContact O-N 2.86Å; R435-M438 HydrophobicContact CG-CE 4.47Å; R435-M438 WeakPolarHBondContact O-CA 3.43Å; R435-M438 WeakPolarHBondContact O-CB 3.45Å; R435-M438 PolarHBondContact O-N 3.16Å; R435-E439 PolarHBondContact O-N 3.36Å |
| 436 | D | 88.8 | Confident | 81.4 | Confident | 77 Ų | 77 | 106.5 Ų | 106.5 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -55.9 | -41.5 | -179 | -56.4 | -21.1 | 0 | 0 | 0 | 111.3 | Q432 L440 | Q432-D436 PolarHBondContact NE2-OD1 3.36Å; Q432-D436 PolarHBondContact O-N 2.8Å; D436-L440 WeakPolarHBondContact O-CB 3.45Å; D436-L440 PolarHBondContact O-N 2.93Å |
| 437 | R | 80.6 | Confident | 79.9 | Confident | 143 Ų | 143 | 105.4 Ų | 105.4 | 54% | 0.54 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68 | -39.7 | 175.3 | -74.9 | 175.1 | 177.1 | -166.7 | 1 | 113 | I433 R435 L441 | I433-R437 WeakPolarHBondContact O-CB 3.4Å; I433-R437 VanDerWaalsContact O-CG 3.23Å; I433-R437 WeakPolarHBondContact O-CG 3.27Å; I433-R437 PolarHBondContact O-N 3.3Å; I433-R437 VanDerWaalsContact O-N 3.17Å; R435-R437 PolarHBondContact O-N 2.86Å; R437-L441 WeakPolarHBondContact O-CB 3.41Å; R437-L441 VanDerWaalsContact O-CG 3.24Å; R437-L441 WeakPolarHBondContact O-CG 3.43Å; R437-L441 PolarHBondContact O-N 3.5Å |
| 438 | M | 78.7 | Confident | 78.1 | Confident | 93 Ų | 93 | 101.2 Ų | 101.2 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 175.5 | -75 | -170.8 | -60.7 | 0 | 0 | 111.8 | L434 R435 L441 Q442 | L434-M438 WeakPolarHBondContact O-CG 3.39Å; L434-M438 PolarHBondContact O-N 2.98Å; R435-M438 HydrophobicContact CG-CE 4.47Å; R435-M438 WeakPolarHBondContact O-CA 3.43Å; R435-M438 WeakPolarHBondContact O-CB 3.45Å; R435-M438 PolarHBondContact O-N 3.16Å; M438-L441 PolarHBondContact O-N 2.99Å; M438-Q442 VanDerWaalsContact O-CG 3.32Å; M438-Q442 WeakPolarHBondContact O-CG 3.38Å; M438-Q442 PolarHBondContact O-N 2.99Å |
| 439 | E | 86.7 | Confident | 76.3 | Confident | 113 Ų | 113 | 102.5 Ų | 102.5 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 176.4 | -70.9 | 178.5 | -159 | 0 | 0 | 111.3 | R435 L441 Q442 L443 | R435-E439 PolarHBondContact O-N 3.36Å; E439-L441 VanDerWaalsContact C-N 3.33Å; E439-L441 PolarHBondContact O-N 3.49Å; E439-Q442 PolarHBondContact O-N 3.35Å; E439-Q442 VanDerWaalsContact O-N 3.16Å; E439-L443 WeakPolarHBondContact O-CB 3.47Å; E439-L443 PolarHBondContact O-N 3.44Å |
| 440 | L | 84.5 | Confident | 74.8 | Confident | 115 Ų | 115 | 96 Ų | 96 | 60% | 0.602 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.9 | -36.8 | 175.3 | -169.7 | 66.4 | 0 | 0 | 0 | 112.8 | D436 L443 T444 | D436-L440 WeakPolarHBondContact O-CB 3.45Å; D436-L440 PolarHBondContact O-N 2.93Å; L440-L443 PolarHBondContact O-N 3.22Å; L440-T444 PolarHBondContact O-N 2.7Å; L440-T444 PolarHBondContact O-OG1 2.96Å |
| 441 | L | 77.2 | Confident | 73.4 | Confident | 103 Ų | 103 | 97 Ų | 97 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.2 | -31.9 | 174 | -76.9 | 168.9 | 0 | 0 | 0 | 113 | R437 M438 E439 T444 Q445 | R437-L441 WeakPolarHBondContact O-CB 3.41Å; R437-L441 VanDerWaalsContact O-CG 3.24Å; R437-L441 WeakPolarHBondContact O-CG 3.43Å; R437-L441 PolarHBondContact O-N 3.5Å; M438-L441 PolarHBondContact O-N 2.99Å; E439-L441 VanDerWaalsContact C-N 3.33Å; E439-L441 PolarHBondContact O-N 3.49Å; L441-T444 WeakPolarHBondContact CA-OG1 3.45Å; L441-T444 PolarHBondContact O-OG1 2.91Å; L441-Q445 WeakPolarHBondContact O-CB 3.45Å; L441-Q445 VanDerWaalsContact O-CG 3.28Å; L441-Q445 WeakPolarHBondContact O-CG 3.27Å; L441-Q445 PolarHBondContact O-N 2.88Å; L441-Q445 PolarHBondContact O-NE2 2.76Å |
| 442 | Q | 78.3 | Confident | 71.8 | Confident | 115 Ų | 115 | 101.2 Ų | 101.2 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.7 | -41.8 | 172.8 | -71.2 | 174.1 | 29.9 | 0 | 0 | 111 | M438 E439 T444 Q445 Q446 | M438-Q442 VanDerWaalsContact O-CG 3.32Å; M438-Q442 WeakPolarHBondContact O-CG 3.38Å; M438-Q442 PolarHBondContact O-N 2.99Å; E439-Q442 PolarHBondContact O-N 3.35Å; E439-Q442 VanDerWaalsContact O-N 3.16Å; Q442-T444 VanDerWaalsContact C-N 3.29Å; Q442-T444 PolarHBondContact O-N 2.9Å; Q442-Q445 PolarHBondContact O-N 2.91Å; Q442-Q445 VanDerWaalsContact O-N 3.09Å; Q442-Q446 PolarHBondContact O-N 3.4Å |
| 443 | L | 76 | Confident | 70.3 | Confident | 115 Ų | 115 | 101.5 Ų | 101.5 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -31.2 | 175.2 | -84.4 | 159.1 | 0 | 0 | 0 | 113.4 | E439 L440 P447 | E439-L443 WeakPolarHBondContact O-CB 3.47Å; E439-L443 PolarHBondContact O-N 3.44Å; L440-L443 PolarHBondContact O-N 3.22Å; L443-P447 WeakPolarHBondContact O-CD 3.4Å |
| 444 | T | 70.4 | Confident | 69 | Low | 82 Ų | 82 | 102 Ų | 102 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -83.8 | -20.4 | 172.6 | 37.8 | 0 | 0 | 0 | 0 | 113.7 | L440 L441 Q442 T448 | L440-T444 PolarHBondContact O-N 2.7Å; L440-T444 PolarHBondContact O-OG1 2.96Å; L441-T444 WeakPolarHBondContact CA-OG1 3.45Å; L441-T444 PolarHBondContact O-OG1 2.91Å; Q442-T444 VanDerWaalsContact C-N 3.29Å; Q442-T444 PolarHBondContact O-N 2.9Å; T444-T448 PolarHBondContact O-OG1 3.07Å; T444-T448 VanDerWaalsContact O-OG1 3.06Å |
| 445 | Q | 62.6 | Low | 67.5 | Low | 91 Ų | 91 | 100.3 Ų | 100.3 | 43% | 0.425 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -82 | -26.9 | 175 | -80.8 | 175.1 | 70.7 | 0 | 0 | 114.3 | L441 Q442 T448 R449 | L441-Q445 WeakPolarHBondContact O-CB 3.45Å; L441-Q445 VanDerWaalsContact O-CG 3.28Å; L441-Q445 WeakPolarHBondContact O-CG 3.27Å; L441-Q445 PolarHBondContact O-N 2.88Å; L441-Q445 PolarHBondContact O-NE2 2.76Å; Q442-Q445 PolarHBondContact O-N 2.91Å; Q442-Q445 VanDerWaalsContact O-N 3.09Å; Q445-T448 WeakPolarHBondContact CA-OG1 3.39Å; Q445-T448 PolarHBondContact O-OG1 2.68Å; Q445-R449 WeakPolarHBondContact O-CG 3.37Å; Q445-R449 PolarHBondContact O-N 3.11Å |
| 446 | Q | 55.8 | Low | 66.2 | Low | 137 Ų | 137 | 101.8 Ų | 101.8 | 64% | 0.64 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.2 | -47.6 | 176.8 | -69.8 | -172.7 | 28.2 | 0 | 0 | 113 | Q442 T448 R449 G450 | Q442-Q446 PolarHBondContact O-N 3.4Å; Q446-T448 VanDerWaalsContact C-N 3.34Å; Q446-T448 PolarHBondContact O-N 2.64Å; Q446-R449 PolarHBondContact O-N 2.68Å; Q446-G450 PolarHBondContact O-N 3.25Å; Q446-G450 VanDerWaalsContact O-N 3.1Å |
| 447 | P | 52.9 | Low | 65.2 | Low | 67 Ų | 67 | 103.9 Ų | 103.9 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 174.7 | -25.4 | 34.6 | 0 | 0 | 0 | 112.8 | L443 R449 G450 H451 | L443-P447 WeakPolarHBondContact O-CD 3.4Å; P447-R449 PolarHBondContact O-N 3.45Å; P447-G450 PolarHBondContact O-N 3.03Å; P447-H451 PolarHBondContact O-N 3.17Å; P447-H451 PolarHBondContact O-ND1 2.69Å |
| 448 | T | 49.1 | Very low | 64.2 | Low | 71 Ų | 71 | 100.8 Ų | 100.8 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.5 | -31.3 | -179.1 | 41.6 | 0 | 0 | 0 | 0 | 112.6 | T444 Q445 Q446 Q452 | T444-T448 PolarHBondContact O-OG1 3.07Å; T444-T448 VanDerWaalsContact O-OG1 3.06Å; Q445-T448 WeakPolarHBondContact CA-OG1 3.39Å; Q445-T448 PolarHBondContact O-OG1 2.68Å; Q446-T448 VanDerWaalsContact C-N 3.34Å; Q446-T448 PolarHBondContact O-N 2.64Å; T448-Q452 WeakPolarHBondContact O-CB 3.37Å; T448-Q452 WeakPolarHBondContact O-CG 3.48Å; T448-Q452 PolarHBondContact O-N 2.94Å |
| 449 | R | 52.1 | Low | 63.5 | Low | 159 Ų | 159 | 103.8 Ų | 103.8 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -41.1 | 167.7 | -72.8 | -179.6 | -170.1 | -171.5 | 4.9 | 112.5 | Q445 Q446 P447 Q452 V453 | Q445-R449 WeakPolarHBondContact O-CG 3.37Å; Q445-R449 PolarHBondContact O-N 3.11Å; Q446-R449 PolarHBondContact O-N 2.68Å; P447-R449 PolarHBondContact O-N 3.45Å; R449-Q452 PolarHBondContact O-N 3.06Å; R449-V453 WeakPolarHBondContact O-CG2 3.42Å; R449-V453 PolarHBondContact O-N 3.2Å |
| 450 | G | 52.8 | Low | 62.7 | Low | 32 Ų | 32 | 103.9 Ų | 103.9 | 33% | 0.33 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -56.7 | -58.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q446 P447 Q452 V453 D454 | Q446-G450 PolarHBondContact O-N 3.25Å; Q446-G450 VanDerWaalsContact O-N 3.1Å; P447-G450 PolarHBondContact O-N 3.03Å; G450-Q452 PolarHBondContact O-N 2.9Å; G450-Q452 VanDerWaalsContact O-N 3.17Å; G450-V453 PolarHBondContact O-N 3.08Å; G450-D454 PolarHBondContact O-N 2.74Å |
| 451 | H | 53.9 | Low | 61.7 | Low | 126 Ų | 126 | 101 Ų | 101 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.9 | -31.3 | 177.9 | -66.4 | 89.2 | 0 | 0 | 0 | 113.1 | P447 T455 | P447-H451 PolarHBondContact O-N 3.17Å; P447-H451 PolarHBondContact O-ND1 2.69Å; H451-T455 WeakPolarHBondContact O-CB 3.42Å; H451-T455 PolarHBondContact O-N 3.18Å; H451-T455 PolarHBondContact O-OG1 3.45Å |
| 452 | Q | 51.3 | Low | 61.2 | Low | 125 Ų | 125 | 101.6 Ų | 101.6 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.4 | -44.6 | 173 | -78.9 | 168.7 | 11.7 | 0 | 0 | 112.2 | T448 R449 G450 T455 Q456 | T448-Q452 WeakPolarHBondContact O-CB 3.37Å; T448-Q452 WeakPolarHBondContact O-CG 3.48Å; T448-Q452 PolarHBondContact O-N 2.94Å; R449-Q452 PolarHBondContact O-N 3.06Å; G450-Q452 PolarHBondContact O-N 2.9Å; G450-Q452 VanDerWaalsContact O-N 3.17Å; Q452-T455 PolarHBondContact O-N 3.06Å; Q452-Q456 VanDerWaalsContact O-CB 3.27Å; Q452-Q456 WeakPolarHBondContact O-CB 3.23Å; Q452-Q456 PolarHBondContact O-N 3.14Å |
| 453 | V | 59.5 | Low | 60.7 | Low | 85 Ų | 85 | 100.1 Ų | 100.1 | 52% | 0.515 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 174.6 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | R449 G450 T455 Q456 Q457 | R449-V453 WeakPolarHBondContact O-CG2 3.42Å; R449-V453 PolarHBondContact O-N 3.2Å; G450-V453 PolarHBondContact O-N 3.08Å; V453-T455 PolarHBondContact O-N 3.37Å; V453-Q456 CarbonylContact O-C 3.58Å; V453-Q456 PolarHBondContact O-N 3.08Å; V453-Q456 VanDerWaalsContact O-N 3.1Å; V453-Q457 WeakPolarHBondContact O-CB 3.39Å; V453-Q457 PolarHBondContact O-N 2.89Å |
| 454 | D | 58.5 | Low | 60.4 | Low | 93 Ų | 93 | 101 Ų | 101 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 177.6 | -61.8 | -36.7 | 0 | 0 | 0 | 111.4 | G450 Q456 Q457 C458 | G450-D454 PolarHBondContact O-N 2.74Å; D454-Q456 VanDerWaalsContact C-N 3.29Å; D454-Q456 PolarHBondContact O-N 2.86Å; D454-Q457 PolarHBondContact O-N 3.4Å; D454-C458 WeakPolarHBondContact O-CB 3.26Å; D454-C458 PolarHBondContact O-N 2.86Å; D454-C458 PolarHBondContact O-SG 2.94Å |
| 455 | T | 57.5 | Low | 59.8 | Low | 72 Ų | 72 | 101.8 Ų | 101.8 | 44% | 0.442 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.7 | -30.9 | 176.3 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | H451 Q452 V453 R459 | H451-T455 WeakPolarHBondContact O-CB 3.42Å; H451-T455 PolarHBondContact O-N 3.18Å; H451-T455 PolarHBondContact O-OG1 3.45Å; Q452-T455 PolarHBondContact O-N 3.06Å; V453-T455 PolarHBondContact O-N 3.37Å; T455-R459 PolarHBondContact O-N 2.91Å; T455-R459 VanDerWaalsContact O-N 3.13Å |
| 456 | Q | 63.6 | Low | 59.6 | Low | 123 Ų | 123 | 106.5 Ų | 106.5 | 58% | 0.575 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -79 | -37.1 | 177.4 | -169.8 | 162.4 | -4.1 | 0 | 0 | 111.5 | Q452 V453 D454 R459 L460 | Q452-Q456 VanDerWaalsContact O-CB 3.27Å; Q452-Q456 WeakPolarHBondContact O-CB 3.23Å; Q452-Q456 PolarHBondContact O-N 3.14Å; V453-Q456 CarbonylContact O-C 3.58Å; V453-Q456 PolarHBondContact O-N 3.08Å; V453-Q456 VanDerWaalsContact O-N 3.1Å; D454-Q456 VanDerWaalsContact C-N 3.29Å; D454-Q456 PolarHBondContact O-N 2.86Å; Q456-R459 PolarHBondContact O-N 2.84Å; Q456-L460 WeakPolarHBondContact O-CG 3.28Å; Q456-L460 PolarHBondContact O-N 3.35Å |
| 457 | Q | 66.8 | Low | 60 | Low | 122 Ų | 122 | 106.4 Ų | 106.4 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.9 | -36.8 | 174.2 | -169.2 | 165.1 | -4.1 | 0 | 0 | 112 | V453 D454 S461 | V453-Q457 WeakPolarHBondContact O-CB 3.39Å; V453-Q457 PolarHBondContact O-N 2.89Å; D454-Q457 PolarHBondContact O-N 3.4Å; Q457-S461 WeakPolarHBondContact O-CB 3.16Å; Q457-S461 PolarHBondContact O-N 3.28Å; Q457-S461 PolarHBondContact O-OG 3.29Å |
| 458 | C | 59.8 | Low | 60.4 | Low | 78 Ų | 78 | 106.5 Ų | 106.5 | 53% | 0.527 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 167.4 | -75.1 | 0 | 0 | 0 | 0 | 112.2 | D454 S461 L462 | D454-C458 WeakPolarHBondContact O-CB 3.26Å; D454-C458 PolarHBondContact O-N 2.86Å; D454-C458 PolarHBondContact O-SG 2.94Å; C458-S461 PolarHBondContact O-N 3.2Å; C458-L462 WeakPolarHBondContact O-CG 3.45Å; C458-L462 PolarHBondContact O-N 2.88Å |
| 459 | R | 63.6 | Low | 60.7 | Low | 156 Ų | 156 | 107.5 Ų | 107.5 | 59% | 0.589 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.7 | -49.6 | 174.7 | -95.3 | -176.7 | -87.6 | -169.1 | -7.4 | 112.5 | T455 Q456 S461 L462 D463 | T455-R459 PolarHBondContact O-N 2.91Å; T455-R459 VanDerWaalsContact O-N 3.13Å; Q456-R459 PolarHBondContact O-N 2.84Å; R459-S461 PolarHBondContact O-N 3.15Å; R459-L462 WeakPolarHBondContact O-CB 3.43Å; R459-L462 PolarHBondContact O-N 2.89Å; R459-D463 PolarHBondContact O-N 3.33Å |
| 460 | L | 70.8 | Confident | 60.8 | Low | 114 Ų | 114 | 101.8 Ų | 101.8 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.3 | -39.8 | 175.9 | -69.9 | 168.2 | 0 | 0 | 0 | 111.8 | Q456 D463 Q464 | Q456-L460 WeakPolarHBondContact O-CG 3.28Å; Q456-L460 PolarHBondContact O-N 3.35Å; L460-D463 PolarHBondContact O-N 3.11Å; L460-Q464 VanDerWaalsContact O-CB 3.31Å; L460-Q464 WeakPolarHBondContact O-CB 3.47Å; L460-Q464 PolarHBondContact O-N 2.84Å |
| 461 | S | 64.3 | Low | 60.8 | Low | 54 Ų | 54 | 105.4 Ų | 105.4 | 38% | 0.378 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.9 | -36.6 | 175.3 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | Q457 C458 R459 N465 | Q457-S461 WeakPolarHBondContact O-CB 3.16Å; Q457-S461 PolarHBondContact O-N 3.28Å; Q457-S461 PolarHBondContact O-OG 3.29Å; C458-S461 PolarHBondContact O-N 3.2Å; R459-S461 PolarHBondContact O-N 3.15Å; S461-N465 WeakPolarHBondContact O-CB 3.18Å; S461-N465 PolarHBondContact O-N 3.11Å; S461-N465 PolarHBondContact O-ND2 2.97Å |
| 462 | L | 66.1 | Low | 60.5 | Low | 117 Ų | 117 | 102.8 Ų | 102.8 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.2 | -41.6 | 176.1 | -74.9 | 167.8 | 0 | 0 | 0 | 112.1 | C458 R459 N465 R466 | C458-L462 WeakPolarHBondContact O-CG 3.45Å; C458-L462 PolarHBondContact O-N 2.88Å; R459-L462 WeakPolarHBondContact O-CB 3.43Å; R459-L462 PolarHBondContact O-N 2.89Å; L462-N465 PolarHBondContact O-N 2.93Å; L462-R466 WeakPolarHBondContact O-CB 3.39Å; L462-R466 PolarHBondContact O-N 3.32Å |
| 463 | D | 68.1 | Low | 60.4 | Low | 84 Ų | 84 | 99.9 Ų | 99.9 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 176 | -72.3 | -44.5 | 0 | 0 | 0 | 111.4 | R459 L460 N465 R466 E467 | R459-D463 PolarHBondContact O-N 3.33Å; L460-D463 PolarHBondContact O-N 3.11Å; D463-N465 PolarHBondContact O-N 3.02Å; D463-R466 CarbonylContact O-C 3.44Å; D463-R466 WeakPolarHBondContact O-CA 3.47Å; D463-R466 VanDerWaalsContact O-CB 3.29Å; D463-R466 WeakPolarHBondContact O-CB 3.31Å; D463-R466 PolarHBondContact O-N 3.48Å; D463-E467 PolarHBondContact O-N 3.27Å |
| 464 | Q | 68.8 | Low | 60 | Low | 132 Ų | 132 | 99 Ų | 99 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.6 | -33.5 | 175.4 | -162 | 166.8 | 50.2 | 0 | 0 | 113 | L460 R466 T468 | L460-Q464 VanDerWaalsContact O-CB 3.31Å; L460-Q464 WeakPolarHBondContact O-CB 3.47Å; L460-Q464 PolarHBondContact O-N 2.84Å; Q464-R466 VanDerWaalsContact C-N 3.34Å; Q464-T468 PolarHBondContact O-N 3.37Å; Q464-T468 VanDerWaalsContact O-N 3.16Å; Q464-T468 PolarHBondContact O-OG1 3.48Å |
| 465 | N | 57.2 | Low | 59.6 | Low | 100 Ų | 100 | 100.7 Ų | 100.7 | 54% | 0.535 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.1 | -32.6 | 167.9 | -81.4 | -63.9 | 0 | 0 | 0 | 112.2 | S461 L462 D463 T468 V469 | S461-N465 WeakPolarHBondContact O-CB 3.18Å; S461-N465 PolarHBondContact O-N 3.11Å; S461-N465 PolarHBondContact O-ND2 2.97Å; L462-N465 PolarHBondContact O-N 2.93Å; D463-N465 PolarHBondContact O-N 3.02Å; N465-T468 WeakPolarHBondContact CA-OG1 3.2Å; N465-T468 PolarHBondContact O-OG1 2.88Å; N465-T468 VanDerWaalsContact O-OG1 3.07Å; N465-V469 WeakPolarHBondContact O-CB 3.47Å; N465-V469 VanDerWaalsContact O-CG2 3.28Å; N465-V469 WeakPolarHBondContact O-CG2 3.46Å; N465-V469 PolarHBondContact O-N 3.09Å |
| 466 | R | 60.3 | Low | 59.3 | Low | 189 Ų | 189 | 101.8 Ų | 101.8 | 71% | 0.713 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.5 | -39.3 | 177.2 | -166.2 | -179.4 | -174.2 | -175.1 | 1.7 | 112.2 | L462 D463 Q464 G470 | L462-R466 WeakPolarHBondContact O-CB 3.39Å; L462-R466 PolarHBondContact O-N 3.32Å; D463-R466 CarbonylContact O-C 3.44Å; D463-R466 WeakPolarHBondContact O-CA 3.47Å; D463-R466 VanDerWaalsContact O-CB 3.29Å; D463-R466 WeakPolarHBondContact O-CB 3.31Å; D463-R466 PolarHBondContact O-N 3.48Å; Q464-R466 VanDerWaalsContact C-N 3.34Å; R466-G470 PolarHBondContact O-N 3.17Å |
| 467 | E | 63.9 | Low | 58.7 | Low | 135 Ų | 135 | 99.3 Ų | 99.3 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.1 | -45.9 | 173.2 | -72 | -176.1 | 155.1 | 0 | 0 | 111.8 | D463 G470 L471 | D463-E467 PolarHBondContact O-N 3.27Å; E467-G470 WeakPolarHBondContact O-CA 3.42Å; E467-G470 PolarHBondContact O-N 2.91Å; E467-G470 VanDerWaalsContact O-N 3.14Å; E467-L471 WeakPolarHBondContact O-CG 3.39Å; E467-L471 PolarHBondContact O-N 2.92Å |
| 468 | T | 59.8 | Low | 57.9 | Low | 69 Ų | 69 | 95.4 Ų | 95.4 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 177.9 | 45.7 | 0 | 0 | 0 | 0 | 112.9 | Q464 N465 G470 L471 C472 | Q464-T468 PolarHBondContact O-N 3.37Å; Q464-T468 VanDerWaalsContact O-N 3.16Å; Q464-T468 PolarHBondContact O-OG1 3.48Å; N465-T468 WeakPolarHBondContact CA-OG1 3.2Å; N465-T468 PolarHBondContact O-OG1 2.88Å; N465-T468 VanDerWaalsContact O-OG1 3.07Å; T468-G470 VanDerWaalsContact C-N 3.32Å; T468-G470 PolarHBondContact O-N 3.19Å; T468-L471 PolarHBondContact O-N 3.23Å; T468-C472 PolarHBondContact O-N 2.86Å; T468-C472 PolarHBondContact O-SG 3.32Å; T468-C472 VanDerWaalsContact O-SG 3.34Å |
| 469 | V | 56.2 | Low | 57.5 | Low | 93 Ų | 93 | 96.4 Ų | 96.4 | 56% | 0.564 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.8 | -36.5 | 170.5 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | N465 S473 | N465-V469 WeakPolarHBondContact O-CB 3.47Å; N465-V469 VanDerWaalsContact O-CG2 3.28Å; N465-V469 WeakPolarHBondContact O-CG2 3.46Å; N465-V469 PolarHBondContact O-N 3.09Å; V469-S473 WeakPolarHBondContact O-CB 3.27Å; V469-S473 PolarHBondContact O-N 3.11Å; V469-S473 PolarHBondContact O-OG 2.89Å |
| 470 | G | 54.8 | Low | 56.8 | Low | 39 Ų | 39 | 95.4 Ų | 95.4 | 40% | 0.402 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R466 E467 T468 S473 S474 | R466-G470 PolarHBondContact O-N 3.17Å; E467-G470 WeakPolarHBondContact O-CA 3.42Å; E467-G470 PolarHBondContact O-N 2.91Å; E467-G470 VanDerWaalsContact O-N 3.14Å; T468-G470 VanDerWaalsContact C-N 3.32Å; T468-G470 PolarHBondContact O-N 3.19Å; G470-S473 WeakPolarHBondContact O-CB 3.47Å; G470-S473 PolarHBondContact O-N 3.13Å; G470-S474 PolarHBondContact O-N 2.6Å |
| 471 | L | 53 | Low | 56 | Low | 107 Ų | 107 | 93 Ų | 93 | 56% | 0.56 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -50.5 | 176.1 | -72 | 164.7 | 0 | 0 | 0 | 111.4 | E467 T468 S473 S474 E475 | E467-L471 WeakPolarHBondContact O-CG 3.39Å; E467-L471 PolarHBondContact O-N 2.92Å; T468-L471 PolarHBondContact O-N 3.23Å; L471-S473 PolarHBondContact O-N 3.08Å; L471-S474 WeakPolarHBondContact O-CA 3.19Å; L471-S474 WeakPolarHBondContact O-CB 3.36Å; L471-S474 PolarHBondContact O-N 3.21Å; L471-S474 PolarHBondContact O-OG 3.27Å; L471-E475 PolarHBondContact O-N 2.83Å |
| 472 | C | 46.4 | Very low | 55.3 | Low | 72 Ų | 72 | 97 Ų | 97 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.5 | -32.9 | 174.6 | -68.5 | 0 | 0 | 0 | 0 | 112.9 | T468 T476 | T468-C472 PolarHBondContact O-N 2.86Å; T468-C472 PolarHBondContact O-SG 3.32Å; T468-C472 VanDerWaalsContact O-SG 3.34Å; C472-T476 WeakPolarHBondContact O-CB 3.17Å; C472-T476 WeakPolarHBondContact O-CG2 3.47Å; C472-T476 PolarHBondContact O-N 3.09Å; C472-T476 PolarHBondContact O-OG1 3.47Å |
| 473 | S | 49.3 | Very low | 54.5 | Low | 64 Ų | 64 | 97 Ų | 97 | 45% | 0.448 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.8 | -32.5 | 175 | -57.6 | 0 | 0 | 0 | 0 | 112.6 | V469 G470 L471 T476 S477 | V469-S473 WeakPolarHBondContact O-CB 3.27Å; V469-S473 PolarHBondContact O-N 3.11Å; V469-S473 PolarHBondContact O-OG 2.89Å; G470-S473 WeakPolarHBondContact O-CB 3.47Å; G470-S473 PolarHBondContact O-N 3.13Å; L471-S473 PolarHBondContact O-N 3.08Å; S473-T476 WeakPolarHBondContact CA-OG1 3.5Å; S473-T476 PolarHBondContact O-OG1 2.9Å; S473-S477 WeakPolarHBondContact O-CB 3.35Å; S473-S477 PolarHBondContact O-N 3.04Å; S473-S477 PolarHBondContact O-OG 2.71Å |
| 474 | S | 51.6 | Low | 53.6 | Low | 65 Ų | 65 | 97.2 Ų | 97.2 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.2 | -39.9 | 174.2 | 74.7 | 0 | 0 | 0 | 0 | 112.4 | G470 L471 S477 G478 | G470-S474 PolarHBondContact O-N 2.6Å; L471-S474 WeakPolarHBondContact O-CA 3.19Å; L471-S474 WeakPolarHBondContact O-CB 3.36Å; L471-S474 PolarHBondContact O-N 3.21Å; L471-S474 PolarHBondContact O-OG 3.27Å; S474-S477 WeakPolarHBondContact CA-OG 3.37Å; S474-S477 PolarHBondContact O-OG 3.17Å; S474-G478 PolarHBondContact O-N 2.82Å |
| 475 | E | 50.7 | Low | 52.7 | Low | 130 Ų | 130 | 96.6 Ų | 96.6 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69 | -40.8 | 177.2 | -66.6 | -174.6 | 151.9 | 0 | 0 | 112.1 | L471 G478 N479 | L471-E475 PolarHBondContact O-N 2.83Å; E475-G478 PolarHBondContact O-N 2.97Å; E475-N479 PolarHBondContact O-N 3.14Å; E475-N479 PolarHBondContact O-ND2 2.71Å |
| 476 | T | 50.3 | Low | 52.4 | Low | 94 Ų | 94 | 94.6 Ų | 94.6 | 58% | 0.577 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.1 | -33.8 | 177.5 | 47.9 | 0 | 0 | 0 | 0 | 113 | C472 S473 K480 | C472-T476 WeakPolarHBondContact O-CB 3.17Å; C472-T476 WeakPolarHBondContact O-CG2 3.47Å; C472-T476 PolarHBondContact O-N 3.09Å; C472-T476 PolarHBondContact O-OG1 3.47Å; S473-T476 WeakPolarHBondContact CA-OG1 3.5Å; S473-T476 PolarHBondContact O-OG1 2.9Å; T476-K480 WeakPolarHBondContact O-CB 3.34Å; T476-K480 PolarHBondContact O-N 2.96Å; T476-K480 VanDerWaalsContact O-N 3.08Å |
| 477 | S | 51.1 | Low | 51.8 | Low | 71 Ų | 71 | 89.5 Ų | 89.5 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.7 | -36.6 | 173.6 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | S473 S474 K480 A481 | S473-S477 WeakPolarHBondContact O-CB 3.35Å; S473-S477 PolarHBondContact O-N 3.04Å; S473-S477 PolarHBondContact O-OG 2.71Å; S474-S477 WeakPolarHBondContact CA-OG 3.37Å; S474-S477 PolarHBondContact O-OG 3.17Å; S477-K480 PolarHBondContact O-N 2.7Å; S477-A481 PolarHBondContact O-N 3.17Å; S477-A481 VanDerWaalsContact O-N 3.15Å |
| 478 | G | 50.5 | Low | 51.1 | Low | 41 Ų | 41 | 87.1 Ų | 87.1 | 42% | 0.423 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -50.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S474 E475 K480 A481 Q482 | S474-G478 PolarHBondContact O-N 2.82Å; E475-G478 PolarHBondContact O-N 2.97Å; G478-K480 VanDerWaalsContact C-N 3.27Å; G478-K480 PolarHBondContact O-N 2.8Å; G478-A481 PolarHBondContact O-N 3.38Å; G478-Q482 PolarHBondContact O-N 2.7Å |
| 479 | N | 50.7 | Low | 50.5 | Low | 98 Ų | 98 | 89.5 Ų | 89.5 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.9 | -36.1 | 176.5 | -78.6 | -70.2 | 0 | 0 | 0 | 112.6 | E475 Q482 L483 | E475-N479 PolarHBondContact O-N 3.14Å; E475-N479 PolarHBondContact O-ND2 2.71Å; N479-Q482 PolarHBondContact O-N 3.28Å; N479-L483 PolarHBondContact O-N 3.12Å |
| 480 | K | 49.6 | Very low | 50 | Low | 136 Ų | 136 | 91.2 Ų | 91.2 | 59% | 0.591 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.7 | -45.5 | 178.2 | -169 | 172.1 | -177.8 | 178.8 | 0 | 112.4 | T476 S477 G478 Q482 L483 D484 | T476-K480 WeakPolarHBondContact O-CB 3.34Å; T476-K480 PolarHBondContact O-N 2.96Å; T476-K480 VanDerWaalsContact O-N 3.08Å; S477-K480 PolarHBondContact O-N 2.7Å; G478-K480 VanDerWaalsContact C-N 3.27Å; G478-K480 PolarHBondContact O-N 2.8Å; K480-Q482 PolarHBondContact O-N 3.38Å; K480-L483 PolarHBondContact O-N 2.94Å; K480-D484 PolarHBondContact O-N 3.12Å |
| 481 | A | 52.9 | Low | 49.5 | Very low | 62 Ų | 62 | 93 Ų | 93 | 51% | 0.512 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60 | -33.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S477 G478 H485 | S477-A481 PolarHBondContact O-N 3.17Å; S477-A481 VanDerWaalsContact O-N 3.15Å; G478-A481 PolarHBondContact O-N 3.38Å; A481-H485 WeakPolarHBondContact O-CB 3.31Å; A481-H485 PolarHBondContact O-N 2.92Å |
| 482 | Q | 49.3 | Very low | 49.2 | Very low | 138 Ų | 138 | 92.6 Ų | 92.6 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -74.1 | -33.2 | 179 | -154.6 | 163.5 | -0.6 | 0 | 0 | 112.4 | G478 N479 K480 S486 | G478-Q482 PolarHBondContact O-N 2.7Å; N479-Q482 PolarHBondContact O-N 3.28Å; K480-Q482 PolarHBondContact O-N 3.38Å; Q482-S486 PolarHBondContact O-N 3.39Å; Q482-S486 PolarHBondContact O-OG 3.36Å |
| 483 | L | 50.8 | Low | 49.2 | Very low | 118 Ų | 118 | 94.9 Ų | 94.9 | 62% | 0.618 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.6 | -46.4 | 169.7 | -78.1 | 162.5 | 0 | 0 | 0 | 112.2 | N479 K480 H485 S486 C487 | N479-L483 PolarHBondContact O-N 3.12Å; K480-L483 PolarHBondContact O-N 2.94Å; L483-H485 VanDerWaalsContact C-N 3.33Å; L483-H485 PolarHBondContact O-N 3.38Å; L483-S486 WeakPolarHBondContact O-CB 3.48Å; L483-S486 PolarHBondContact O-N 3.28Å; L483-C487 PolarHBondContact O-N 3.14Å |
| 484 | D | 48.7 | Very low | 48.8 | Very low | 88 Ų | 88 | 102.4 Ų | 102.4 | 47% | 0.471 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.8 | -42.3 | 179.4 | -69 | -28 | 0 | 0 | 0 | 111 | K480 S486 C487 C488 | K480-D484 PolarHBondContact O-N 3.12Å; D484-S486 VanDerWaalsContact C-N 3.31Å; D484-S486 PolarHBondContact O-N 2.75Å; D484-C487 PolarHBondContact O-N 3.11Å; D484-C488 PolarHBondContact O-N 2.79Å; D484-C488 PolarHBondContact O-SG 3.1Å; D484-C488 VanDerWaalsContact O-SG 3.37Å |
| 485 | H | 50.6 | Low | 48.6 | Very low | 120 Ų | 120 | 104.3 Ų | 104.3 | 56% | 0.556 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.6 | -32.8 | 173.7 | -164.7 | -45.3 | 0 | 0 | 0 | 113 | A481 L483 Q489 | A481-H485 WeakPolarHBondContact O-CB 3.31Å; A481-H485 PolarHBondContact O-N 2.92Å; L483-H485 VanDerWaalsContact C-N 3.33Å; L483-H485 PolarHBondContact O-N 3.38Å; H485-Q489 PolarHBondContact O-N 3.12Å |
| 486 | S | 50.5 | Low | 48.5 | Very low | 58 Ų | 58 | 102.9 Ų | 102.9 | 41% | 0.406 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.9 | -40.3 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | Q482 L483 D484 Q489 L490 | Q482-S486 PolarHBondContact O-N 3.39Å; Q482-S486 PolarHBondContact O-OG 3.36Å; L483-S486 WeakPolarHBondContact O-CB 3.48Å; L483-S486 PolarHBondContact O-N 3.28Å; D484-S486 VanDerWaalsContact C-N 3.31Å; D484-S486 PolarHBondContact O-N 2.75Å; S486-Q489 PolarHBondContact O-N 2.98Å; S486-L490 PolarHBondContact O-N 2.79Å; S486-L490 VanDerWaalsContact O-N 3.14Å |
| 487 | C | 46.9 | Very low | 48.4 | Very low | 82 Ų | 82 | 103.4 Ų | 103.4 | 55% | 0.554 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.6 | -43.8 | 173.2 | -88.4 | 0 | 0 | 0 | 0 | 112.2 | L483 D484 Q489 L490 A491 | L483-C487 PolarHBondContact O-N 3.14Å; D484-C487 PolarHBondContact O-N 3.11Å; C487-Q489 VanDerWaalsContact C-N 3.28Å; C487-Q489 PolarHBondContact O-N 3.14Å; C487-L490 PolarHBondContact O-N 3.5Å; C487-A491 WeakPolarHBondContact O-CB 3.15Å; C487-A491 PolarHBondContact O-N 3.25Å |
| 488 | C | 48.9 | Very low | 48.3 | Very low | 84 Ų | 84 | 105.4 Ų | 105.4 | 57% | 0.568 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.3 | -32.7 | 177.9 | -68.7 | 0 | 0 | 0 | 0 | 113.3 | D484 S492 | D484-C488 PolarHBondContact O-N 2.79Å; D484-C488 PolarHBondContact O-SG 3.1Å; D484-C488 VanDerWaalsContact O-SG 3.37Å; C488-S492 PolarHBondContact O-N 3.45Å; C488-S492 PolarHBondContact O-OG 3.15Å |
| 489 | Q | 47 | Very low | 48.1 | Very low | 120 Ų | 120 | 109.4 Ų | 109.4 | 56% | 0.561 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.7 | -42.2 | 175.5 | -74.2 | -179.6 | -26.5 | 0 | 0 | 112.2 | H485 S486 C487 A491 S492 T493 | H485-Q489 PolarHBondContact O-N 3.12Å; S486-Q489 PolarHBondContact O-N 2.98Å; C487-Q489 VanDerWaalsContact C-N 3.28Å; C487-Q489 PolarHBondContact O-N 3.14Å; Q489-A491 VanDerWaalsContact C-N 3.35Å; Q489-A491 PolarHBondContact O-N 2.88Å; Q489-S492 WeakPolarHBondContact O-CB 3.28Å; Q489-S492 PolarHBondContact O-N 3.45Å; Q489-S492 VanDerWaalsContact O-N 3.1Å; Q489-T493 PolarHBondContact O-OG1 3Å; Q489-T493 VanDerWaalsContact O-OG1 3.08Å |
| 490 | L | 45.8 | Very low | 48 | Very low | 128 Ų | 128 | 110.1 Ų | 110.1 | 67% | 0.67 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62 | -42 | 174.6 | -74.2 | 167.2 | 0 | 0 | 0 | 112 | S486 C487 S492 T493 | S486-L490 PolarHBondContact O-N 2.79Å; S486-L490 VanDerWaalsContact O-N 3.14Å; C487-L490 PolarHBondContact O-N 3.5Å; L490-S492 PolarHBondContact O-N 3.12Å; L490-S492 VanDerWaalsContact O-N 3.14Å; L490-T493 PolarHBondContact O-N 3.42Å |
| 491 | A | 45.4 | Very low | 47.8 | Very low | 76 Ų | 76 | 108.3 Ų | 108.3 | 63% | 0.628 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -7.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | C487 Q489 | C487-A491 WeakPolarHBondContact O-CB 3.15Å; C487-A491 PolarHBondContact O-N 3.25Å; Q489-A491 VanDerWaalsContact C-N 3.35Å; Q489-A491 PolarHBondContact O-N 2.88Å |
| 492 | S | 45.3 | Very low | 47.4 | Very low | 100 Ų | 100 | 111.8 Ų | 111.8 | 70% | 0.699 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 6.8 | 176.4 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | C488 Q489 L490 | C488-S492 PolarHBondContact O-N 3.45Å; C488-S492 PolarHBondContact O-OG 3.15Å; Q489-S492 WeakPolarHBondContact O-CB 3.28Å; Q489-S492 PolarHBondContact O-N 3.45Å; Q489-S492 VanDerWaalsContact O-N 3.1Å; L490-S492 PolarHBondContact O-N 3.12Å; L490-S492 VanDerWaalsContact O-N 3.14Å |
| 493 | T | 47.1 | Very low | 47.3 | Very low | 119 Ų | 119 | 109.7 Ų | 109.7 | 73% | 0.73 | 64% | 0.636 | S | S | * | * | trans | -130.1 | 20.4 | -174.4 | -29.1 | 0 | 0 | 0 | 0 | 113.2 | Q489 L490 | Q489-T493 PolarHBondContact O-OG1 3Å; Q489-T493 VanDerWaalsContact O-OG1 3.08Å; L490-T493 PolarHBondContact O-N 3.42Å | ||
| 494 | L | 40.5 | Very low | 47 | Very low | 223 Ų | 223 | 108.9 Ų | 108.9 | 100% | 1.168 | 64% | 0.637 | S | S | * | * | trans | -128.7 | 0 | 173.1 | -76.9 | 169.7 | 0 | 0 | 0 | 109.5 |
Retrieved 494 of 494 residues in 479.6 ms
(Link to these results)