| 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 | 39.3 | Very low | 52.4 | Low | 254 Ų | 254 | 137.6 Ų | 137.6 | 100% | 1.251 | 80% | 0.8 | S | S | * | * | 0 | 99.4 | 0 | -72.5 | -178.6 | -177.6 | 0 | 0 | 107.4 | |||||
| 2 | M | 46.6 | Very low | 53.4 | Low | 183 Ų | 183 | 133.1 Ų | 133.1 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | -100.2 | 124 | 166.5 | -73.6 | 170.8 | 170.4 | 0 | 0 | 105.7 | ||||
| 3 | Q | 49.5 | Very low | 53.9 | Low | 200 Ų | 200 | 131.8 Ų | 131.8 | 94% | 0.935 | 77% | 0.769 | S | S | * | * | trans | 172.2 | 120.5 | 157.2 | -100.4 | 163.3 | 46.1 | 0 | 0 | 108.3 | ||||
| 4 | A | 52.7 | Low | 54.4 | Low | 108 Ų | 108 | 134.8 Ų | 134.8 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | trans | 145.6 | 76.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 5 | A | 54.3 | Low | 55.1 | Low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | trans | -146.4 | 14.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 6 | E | 53.9 | Low | 55.7 | Low | 179 Ų | 179 | 129.4 Ų | 129.4 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -110.9 | 7.4 | -173.1 | -67.1 | -171.6 | 138.9 | 0 | 0 | 114.7 | ||
| 7 | A | 55 | Low | 56 | Low | 90 Ų | 90 | 128.5 Ų | 128.5 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -96.5 | -3.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 8 | T | 55.2 | Low | 55.9 | Low | 112 Ų | 112 | 128.6 Ų | 128.6 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -104 | -10 | -172.6 | 52.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 9 | T | 56.3 | Low | 56.2 | Low | 94 Ų | 94 | 128.4 Ų | 128.4 | 58% | 0.577 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -85.7 | -27.6 | -178.7 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 10 | D | 55.9 | Low | 55.9 | Low | 120 Ų | 120 | 129.1 Ų | 129.1 | 64% | 0.642 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -73.1 | -31.8 | -179.7 | -108.3 | -53.1 | 0 | 0 | 0 | 113.3 | R14 | D10-R14 PolarHBondContact O-N 3.45Å |
| 11 | S | 57.7 | Low | 55.6 | Low | 80 Ų | 80 | 128.5 Ų | 128.5 | 56% | 0.559 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -71.8 | -35.4 | -178.7 | 91.9 | 0 | 0 | 0 | 0 | 112.6 | R14 E15 | S11-R14 PolarHBondContact O-N 3.35Å; S11-E15 PolarHBondContact O-N 2.85Å; S11-E15 VanDerWaalsContact O-N 3.16Å |
| 12 | S | 64.5 | Low | 56.1 | Low | 83 Ų | 83 | 122.5 Ų | 122.5 | 58% | 0.58 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -69.4 | -36.3 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | G16 | S12-G16 PolarHBondContact O-N 2.91Å |
| 13 | L | 60.4 | Low | 55.9 | Low | 117 Ų | 117 | 116.4 Ų | 116.4 | 61% | 0.613 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -66 | -39.7 | 173.1 | -77.4 | 165 | 0 | 0 | 0 | 111.6 | G16 I17 | L13-G16 PolarHBondContact O-N 3.43Å; L13-I17 VanDerWaalsContact O-CD1 3.3Å; L13-I17 WeakPolarHBondContact O-CD1 3.47Å; L13-I17 WeakPolarHBondContact O-CG1 3.24Å; L13-I17 PolarHBondContact O-N 3.25Å |
| 14 | R | 60.4 | Low | 55.9 | Low | 173 Ų | 173 | 114.1 Ų | 114.1 | 65% | 0.653 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -67.3 | -38.4 | -179.8 | -150.1 | 171.2 | -168.9 | -104.5 | 5 | 113.2 | D10 S11 G16 I17 | D10-R14 PolarHBondContact O-N 3.45Å; S11-R14 PolarHBondContact O-N 3.35Å; R14-G16 VanDerWaalsContact C-N 3.33Å; R14-G16 PolarHBondContact O-N 3.15Å; R14-I17 PolarHBondContact O-N 2.85Å |
| 15 | E | 64.3 | Low | 55.4 | Low | 141 Ų | 141 | 115 Ų | 115 | 66% | 0.659 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.3 | -33.9 | 177.7 | -163 | 174.1 | -172.4 | 0 | 0 | 112.3 | S11 I17 | S11-E15 PolarHBondContact O-N 2.85Å; S11-E15 VanDerWaalsContact O-N 3.16Å; E15-I17 PolarHBondContact O-N 3.33Å |
| 16 | G | 65.1 | Low | 55 | Low | 43 Ų | 43 | 119.3 Ų | 119.3 | 44% | 0.443 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -70.5 | -25.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S12 L13 R14 | S12-G16 PolarHBondContact O-N 2.91Å; L13-G16 PolarHBondContact O-N 3.43Å; R14-G16 VanDerWaalsContact C-N 3.33Å; R14-G16 PolarHBondContact O-N 3.15Å |
| 17 | I | 61 | Low | 54.2 | Low | 114 Ų | 114 | 119.6 Ų | 119.6 | 59% | 0.585 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -81.8 | -30.2 | -177.8 | -53 | 156.6 | 0 | 0 | 0 | 110.9 | L13 R14 E15 V19 L20 | L13-I17 VanDerWaalsContact O-CD1 3.3Å; L13-I17 WeakPolarHBondContact O-CD1 3.47Å; L13-I17 WeakPolarHBondContact O-CG1 3.24Å; L13-I17 PolarHBondContact O-N 3.25Å; R14-I17 PolarHBondContact O-N 2.85Å; E15-I17 PolarHBondContact O-N 3.33Å; I17-V19 VanDerWaalsContact C-N 3.29Å; I17-V19 PolarHBondContact O-N 3.34Å; I17-L20 PolarHBondContact O-N 3.47Å |
| 18 | E | 55.2 | Low | 53.2 | Low | 129 Ų | 129 | 121.7 Ų | 121.7 | 60% | 0.603 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70 | -24.4 | 177.9 | -69.2 | -178.6 | -175.5 | 0 | 0 | 112.9 | L20 | E18-L20 VanDerWaalsContact C-N 3.28Å; E18-L20 PolarHBondContact O-N 3.46Å |
| 19 | V | 60.3 | Low | 52.2 | Low | 126 Ų | 126 | 122.3 Ų | 122.3 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -18.4 | 176.8 | 175.4 | 0 | 0 | 0 | 0 | 112.8 | I17 | I17-V19 VanDerWaalsContact C-N 3.29Å; I17-V19 PolarHBondContact O-N 3.34Å |
| 20 | L | 50.8 | Low | 51 | Low | 141 Ų | 141 | 121.8 Ų | 121.8 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 2.6 | -178.7 | -73.2 | 164.4 | 0 | 0 | 0 | 113.9 | I17 E18 V22 | I17-L20 PolarHBondContact O-N 3.47Å; E18-L20 VanDerWaalsContact C-N 3.28Å; E18-L20 PolarHBondContact O-N 3.46Å; L20-V22 PolarHBondContact O-N 3.06Å |
| 21 | V | 49.8 | Very low | 49.6 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 72% | 0.715 | 71% | 0.709 | S | S | * | * | trans | -73.3 | 94.8 | 173 | 175.2 | 0 | 0 | 0 | 0 | 109 | G23 | V21-G23 PolarHBondContact O-N 2.98Å; V21-G23 VanDerWaalsContact O-N 3.15Å | ||
| 22 | V | 49.8 | Very low | 48.4 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | -67 | 105.1 | 171.4 | 175.1 | 0 | 0 | 0 | 0 | 108.5 | L20 | L20-V22 PolarHBondContact O-N 3.06Š| ||
| 23 | G | 42.8 | Very low | 46.8 | Very low | 56 Ų | 56 | 137.8 Ų | 137.8 | 58% | 0.577 | 74% | 0.737 | S | S | * | * | trans | -81.7 | 115.5 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | V21 T25 | V21-G23 PolarHBondContact O-N 2.98Å; V21-G23 VanDerWaalsContact O-N 3.15Å; G23-T25 PolarHBondContact O-N 3.36Å; G23-T25 VanDerWaalsContact O-N 3.08Å | ||
| 24 | D | 49 | Very low | 45.4 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -57.3 | 107.9 | 166.7 | -72.5 | -49 | 0 | 0 | 0 | 109.6 | ||||
| 25 | T | 41.9 | Very low | 43.9 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | -134.5 | 87.5 | 167.3 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | G23 K27 | G23-T25 PolarHBondContact O-N 3.36Å; G23-T25 VanDerWaalsContact O-N 3.08Å; T25-K27 PolarHBondContact O-N 3.44Å | ||
| 26 | E | 45.5 | Very low | 42.2 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -39.9 | 110.7 | 154 | 34.3 | -168.4 | 113.9 | 0 | 0 | 111.6 | ||||
| 27 | K | 37 | Very low | 40.7 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -109.6 | 92.6 | 175.4 | -168.4 | 169.5 | -177.3 | 174.8 | 0 | 109.6 | T25 T29 | T25-K27 PolarHBondContact O-N 3.44Å; K27-T29 HydrophobicContact CG-CG2 4.46Å | ||
| 28 | T | 34 | Very low | 39.3 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -66.9 | 130.7 | 161.9 | 52 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 29 | T | 33.7 | Very low | 38.2 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | -115.4 | 122.3 | 169.5 | 47.6 | 0 | 0 | 0 | 0 | 108 | K27 | K27-T29 HydrophobicContact CG-CG2 4.46Š| ||
| 30 | G | 31.3 | Very low | 36.7 | Very low | 83 Ų | 83 | 143.5 Ų | 143.5 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -78.1 | 157.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 31 | R | 28 | Very low | 35.7 | Very low | 247 Ų | 247 | 144.3 Ų | 144.3 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | trans | -139.3 | 121.4 | 161.5 | -179.4 | 168.3 | 176.3 | 155.7 | -2.1 | 106.9 | ||||
| 32 | E | 31.5 | Very low | 34.8 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -86 | 135.3 | 175.6 | -63 | 178.4 | 165.2 | 0 | 0 | 110.1 | ||||
| 33 | E | 31.1 | Very low | 33.9 | Very low | 187 Ų | 187 | 143.7 Ų | 143.7 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | 180 | 148.9 | 122.2 | -99 | -164.7 | 170.7 | 0 | 0 | 112.2 | |||||
| 34 | E | 30.6 | Very low | 33.4 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | 59 | 126.8 | 176.7 | -70.4 | -163.5 | 141.7 | 0 | 0 | 117.2 | ||||
| 35 | G | 28.5 | Very low | 32.6 | Very low | 70 Ų | 70 | 143 Ų | 143 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | cis | 112.3 | 88.4 | 28 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 36 | D | 29.4 | Very low | 32.1 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -174.5 | 159.7 | 140.8 | -136.2 | -88.6 | 0 | 0 | 0 | 111.6 | ||||
| 37 | K | 33.7 | Very low | 31.5 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -100 | 141.9 | -166.4 | -62.8 | 162.9 | 177.2 | 161.2 | 0 | 110.9 | ||||
| 38 | D | 30.8 | Very low | 31.3 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | -175.6 | 130.5 | 127.5 | -143.1 | 6.9 | 0 | 0 | 0 | 110 | |||||
| 39 | G | 31.9 | Very low | 31.1 | Very low | 55 Ų | 55 | 142.7 Ų | 142.7 | 57% | 0.567 | 81% | 0.812 | S | S | * | * | 98.2 | 81.9 | 108 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 40 | T | 29.6 | Very low | 30.8 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | 39.2 | 112.3 | 109.8 | -36.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 41 | D | 30.1 | Very low | 30.9 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | -157.5 | 150.8 | 93.8 | -78.7 | -44.3 | 0 | 0 | 0 | 114.7 | |||||
| 42 | V | 31.2 | Very low | 31.1 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -100.2 | 146.7 | -172 | -85.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 43 | A | 31.2 | Very low | 31.2 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 168.6 | 103.2 | 133.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 44 | A | 31.9 | Very low | 31.1 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | 68 | 101.5 | 94 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 45 | A | 30.7 | Very low | 31.5 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | 84.9 | 113.8 | 64.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 46 | K | 31.5 | Very low | 31.8 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 160.9 | 117.7 | 135.3 | -102.7 | -170.2 | 167.5 | -173.5 | 0 | 108 | ||||
| 47 | A | 34.3 | Very low | 32 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | cis | 56.1 | 107.1 | 47.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 48 | E | 31.5 | Very low | 31.9 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | -169.9 | 147.7 | 124.6 | -99.2 | -68.7 | 161.4 | 0 | 0 | 110.2 | |||||
| 49 | E | 30.9 | Very low | 31.9 | Very low | 168 Ų | 168 | 129.6 Ų | 129.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -107.1 | -169.8 | -167.7 | -161 | -168.4 | 142.8 | 0 | 0 | 108.9 | ||||
| 50 | T | 27.8 | Very low | 32.2 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | 95.7 | 143.5 | 161.2 | 75.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 51 | K | 32.3 | Very low | 32.3 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | cis | 179.7 | 153.3 | -21.6 | 179.1 | 178.5 | 170 | 177.9 | 0 | 106 | ||||
| 52 | S | 32 | Very low | 32.2 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | trans | 66 | 154.8 | 152.7 | 51.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 53 | E | 35 | Very low | 32 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -174.2 | 167.9 | -15.3 | -104.6 | 177.4 | 163.2 | 0 | 0 | 105.4 | ||||
| 54 | D | 28.2 | Very low | 32.2 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | 100.7 | 153.9 | 146.8 | -134.2 | -96.8 | 0 | 0 | 0 | 120.7 | ||||
| 55 | A | 38.6 | Very low | 32.1 | Very low | 83 Ų | 83 | 136.1 Ų | 136.1 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | trans | -118 | 177.7 | -136.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 56 | K | 36 | Very low | 32.3 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | 149.4 | 133.9 | 116 | -170.8 | 165 | -178.4 | -179.3 | 0 | 116 | |||||
| 57 | D | 32.6 | Very low | 32.2 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 43.4 | 144 | 150 | -73.2 | -32.6 | 0 | 0 | 0 | 124.7 | ||||
| 58 | G | 31.2 | Very low | 32 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 169.2 | 83.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 59 | D | 30.8 | Very low | 31.9 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | trans | -82.8 | 161.3 | 175.9 | 177.5 | 35 | 0 | 0 | 0 | 113.6 | ||||
| 60 | K | 38 | Very low | 31.8 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | 108.5 | 128.5 | 137.9 | -112.3 | 176 | -159.3 | 91.4 | 0 | 123.7 | ||||
| 61 | S | 33.2 | Very low | 32.1 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 71.5 | 125.8 | 139.4 | 59.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 62 | G | 28.1 | Very low | 32.1 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | 111.9 | 150.2 | 81 | 0 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 63 | D | 25.6 | Very low | 32.3 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | cis | -171.6 | 165.8 | 22.5 | 179.4 | 44.7 | 0 | 0 | 0 | 107.2 | ||||
| 64 | A | 35.2 | Very low | 32.2 | Very low | 83 Ų | 83 | 140.7 Ų | 140.7 | 69% | 0.686 | 82% | 0.82 | S | S | * | * | trans | -70.8 | 158.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 65 | M | 31.5 | Very low | 32.3 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | trans | -152 | 119.1 | 153.1 | -164.4 | 158 | 176 | 0 | 0 | 111.6 | ||||
| 66 | E | 34.4 | Very low | 31.9 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -71.6 | 160.1 | 167.3 | -65.6 | -166.5 | 154.3 | 0 | 0 | 112 | ||||
| 67 | G | 28.3 | Very low | 31.7 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | -175.6 | 113.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 68 | E | 31.7 | Very low | 32 | Very low | 204 Ų | 204 | 142 Ų | 142 | 95% | 0.953 | 83% | 0.831 | S | S | * | * | trans | -68.6 | 163.1 | -171.7 | -51.9 | 176.8 | 133.2 | 0 | 0 | 116 | ||||
| 69 | G | 27.6 | Very low | 32.4 | Very low | 74 Ų | 74 | 146.3 Ų | 146.3 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | trans | 139.1 | 125.3 | 139.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 70 | Q | 30.4 | Very low | 32.6 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | 95.6 | 98.9 | 149.9 | -81.7 | 173.4 | -14.9 | 0 | 0 | 121.8 | ||||
| 71 | E | 34.4 | Very low | 32.6 | Very low | 188 Ų | 188 | 146.7 Ų | 146.7 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | trans | -31.7 | 138.1 | 142.7 | 56.2 | -146.6 | 130.4 | 0 | 0 | 117.2 | ||||
| 72 | G | 30.8 | Very low | 33.2 | Very low | 72 Ų | 72 | 145.6 Ų | 145.6 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | trans | -172.1 | 103.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 73 | E | 36.8 | Very low | 33.8 | Very low | 208 Ų | 208 | 144.4 Ų | 144.4 | 97% | 0.972 | 83% | 0.826 | S | S | * | * | trans | -57.8 | 133.6 | 174.3 | -64 | 176.9 | 144.4 | 0 | 0 | 111.7 | ||||
| 74 | M | 32.8 | Very low | 34.9 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -147.6 | 128 | 152.2 | 42.2 | 179.3 | 169.9 | 0 | 0 | 110.4 | ||||
| 75 | E | 31 | Very low | 35.5 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -29.7 | 128.1 | -178.2 | -73.9 | 165.4 | 126.2 | 0 | 0 | 116.6 | D77 | E75-D77 PolarHBondContact O-N 3.4Å; E75-D77 VanDerWaalsContact O-N 3.16Å | ||
| 76 | A | 30.1 | Very low | 36.4 | Very low | 99 Ų | 99 | 147 Ų | 147 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -78.9 | 86.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | N78 | A76-N78 PolarHBondContact O-N 3.3Š| ||
| 77 | D | 30.6 | Very low | 37 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -73.4 | 81.3 | 156 | -95.4 | -51 | 0 | 0 | 0 | 108.8 | E75 K79 | E75-D77 PolarHBondContact O-N 3.4Å; E75-D77 VanDerWaalsContact O-N 3.16Å; D77-K79 PolarHBondContact O-N 3.21Å | ||
| 78 | N | 40.3 | Very low | 38.1 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -97.3 | 84.3 | 173.3 | -151.5 | -4 | 0 | 0 | 0 | 109.1 | A76 | A76-N78 PolarHBondContact O-N 3.3Š| ||
| 79 | K | 39.1 | Very low | 39.1 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -144.8 | 127.9 | 171.6 | -155.5 | -175.6 | 171.1 | -106.2 | 0 | 111.3 | D77 | D77-K79 PolarHBondContact O-N 3.21Š| ||
| 80 | L | 34.9 | Very low | 40.3 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | 70.7 | 128.4 | 179.9 | -64.5 | 108 | 0 | 0 | 0 | 112.6 | ||||
| 81 | E | 37.4 | Very low | 41.7 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | cis | -165.8 | 104 | 32 | -163.9 | 168.6 | 153.7 | 0 | 0 | 107 | G83 | E81-G83 PolarHBondContact O-N 2.99Š| ||
| 82 | G | 46 | Very low | 43.4 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 95% | 0.948 | 75% | 0.749 | S | S | * | * | trans | -74.9 | 107.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 83 | G | 41.7 | Very low | 44.9 | Very low | 53 Ų | 53 | 148.1 Ų | 148.1 | 55% | 0.546 | 74% | 0.744 | S | S | . | * | trans | -171.2 | 110.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | E81 | E81-G83 PolarHBondContact O-N 2.99Š| ||
| 84 | D | 48.1 | Very low | 46.4 | Very low | 102 Ų | 102 | 145 Ų | 145 | 55% | 0.545 | 73% | 0.732 | S | S | . | * | S | Bend | trans | 71.4 | 53.2 | 142.9 | -105.1 | -102.9 | 0 | 0 | 0 | 120.8 | Q87 | D84-Q87 WeakPolarHBondContact OD2-CG 3.37Å; D84-Q87 PolarHBondContact OD2-NE2 2.97Å |
| 85 | R | 47 | Very low | 48 | Very low | 241 Ų | 241 | 142 Ų | 142 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -120.6 | -0.8 | 151.8 | -73.4 | -173.2 | 173 | 172.7 | -1.3 | 115.4 | ||
| 86 | K | 49.9 | Very low | 49.3 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 66% | 0.661 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -108 | -1.4 | 179.6 | -76.8 | -171.9 | 173.1 | -174.5 | 0 | 114.7 | R90 | K86-R90 WeakPolarHBondContact O-CG 3.28Å; K86-R90 VanDerWaalsContact O-CZ 3.24Å; K86-R90 PolarHBondContact O-NE 3.12Å; K86-R90 PolarHBondContact O-NH2 2.95Å |
| 87 | Q | 48.3 | Very low | 50.7 | Low | 101 Ų | 101 | 143.9 Ų | 143.9 | 47% | 0.472 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -82.4 | -35.7 | -177.1 | -59.4 | -156.9 | 24.1 | 0 | 0 | 112.7 | D84 E89 R90 E91 | D84-Q87 WeakPolarHBondContact OD2-CG 3.37Å; D84-Q87 PolarHBondContact OD2-NE2 2.97Å; Q87-E89 PolarHBondContact O-N 3.45Å; Q87-R90 PolarHBondContact O-N 3.23Å; Q87-E91 PolarHBondContact O-N 3.01Å |
| 88 | V | 51.4 | Low | 51.9 | Low | 109 Ų | 109 | 141 Ų | 141 | 66% | 0.661 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -73.5 | -29.4 | -174.9 | -170 | 0 | 0 | 0 | 0 | 113.1 | ||
| 89 | E | 51.5 | Low | 52.6 | Low | 158 Ų | 158 | 141.2 Ų | 141.2 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -77.7 | -28.3 | 177 | -150.5 | 171.1 | -151.2 | 0 | 0 | 111.8 | Q87 E93 | Q87-E89 PolarHBondContact O-N 3.45Å; E89-E93 PolarHBondContact O-N 3.28Å |
| 90 | R | 54.6 | Low | 53.7 | Low | 138 Ų | 138 | 141.1 Ų | 141.1 | 52% | 0.521 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -77.6 | -21.7 | 175 | -75 | -173.7 | -70.2 | -139.6 | 2.5 | 114.2 | K86 Q87 W92 E93 | K86-R90 WeakPolarHBondContact O-CG 3.28Å; K86-R90 VanDerWaalsContact O-CZ 3.24Å; K86-R90 PolarHBondContact O-NE 3.12Å; K86-R90 PolarHBondContact O-NH2 2.95Å; Q87-R90 PolarHBondContact O-N 3.23Å; R90-W92 PolarHBondContact O-N 3.35Å; R90-E93 PolarHBondContact O-N 3.47Å |
| 91 | E | 59.1 | Low | 55.1 | Low | 159 Ų | 159 | 140.6 Ų | 140.6 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -23.1 | 177 | -153.1 | 86.3 | -154.2 | 0 | 0 | 112 | Q87 | Q87-E91 PolarHBondContact O-N 3.01Š|
| 92 | W | 70 | Confident | 56.4 | Low | 214 Ų | 214 | 139.2 Ų | 139.2 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -106.2 | -3.9 | 174.8 | -67.4 | 97.7 | 0 | 0 | 0 | 113.5 | R90 I94 | R90-W92 PolarHBondContact O-N 3.35Å; W92-I94 VanDerWaalsContact C-N 3.25Å; W92-I94 PolarHBondContact O-N 2.92Å |
| 93 | E | 62.3 | Low | 57.7 | Low | 135 Ų | 135 | 139.6 Ų | 139.6 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | trans | -79.7 | 81.5 | 176.8 | -154.4 | 170 | -138.6 | 0 | 0 | 107.8 | E89 R90 T95 | E89-E93 PolarHBondContact O-N 3.28Å; R90-E93 PolarHBondContact O-N 3.47Å; E93-T95 PolarHBondContact O-N 2.67Å | ||
| 94 | I | 67.3 | Low | 59.1 | Low | 142 Ų | 142 | 140 Ų | 140 | 73% | 0.728 | 67% | 0.674 | S | S | * | * | trans | -64.4 | 102.1 | 168.3 | -58.9 | 170.5 | 0 | 0 | 0 | 105.4 | W92 Y96 | W92-I94 VanDerWaalsContact C-N 3.25Å; W92-I94 PolarHBondContact O-N 2.92Å; I94-Y96 PolarHBondContact O-N 3.14Å; I94-Y96 VanDerWaalsContact O-N 3.12Å | ||
| 95 | T | 68.2 | Low | 60.4 | Low | 120 Ų | 120 | 143.5 Ų | 143.5 | 74% | 0.736 | 69% | 0.685 | S | S | * | * | trans | -49.7 | 123.5 | 161.8 | 49.9 | 0 | 0 | 0 | 0 | 106 | E93 S97 | E93-T95 PolarHBondContact O-N 2.67Å; T95-S97 PolarHBondContact O-N 2.93Å | ||
| 96 | Y | 57.5 | Low | 62 | Low | 198 Ų | 198 | 137.8 Ų | 137.8 | 78% | 0.776 | 67% | 0.672 | S | S | * | * | trans | -38.5 | 112.9 | -178 | -68 | -92.8 | 0 | 0 | 0 | 108.9 | I94 D98 | I94-Y96 PolarHBondContact O-N 3.14Å; I94-Y96 VanDerWaalsContact O-N 3.12Å; Y96-D98 PolarHBondContact O-N 3.26Å | ||
| 97 | S | 59.6 | Low | 63.5 | Low | 123 Ų | 123 | 139.2 Ų | 139.2 | 86% | 0.86 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -73.1 | 43.1 | 168.3 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | T95 | T95-S97 PolarHBondContact O-N 2.93Š|
| 98 | D | 55.2 | Low | 65.3 | Low | 91 Ų | 91 | 138.7 Ų | 138.7 | 49% | 0.487 | 67% | 0.672 | S | S | . | * | trans | -129.7 | 21 | -174.1 | -162.8 | 37.6 | 0 | 0 | 0 | 108.7 | Y96 E100 I101 | Y96-D98 PolarHBondContact O-N 3.26Å; D98-E100 CarbonylContact O-C 3.56Å; D98-E100 PolarHBondContact O-N 3.39Å; D98-I101 VanDerWaalsContact O-CG1 3.31Å; D98-I101 WeakPolarHBondContact O-CG1 3.18Å; D98-I101 PolarHBondContact O-N 2.88Å; D98-I101 VanDerWaalsContact O-N 3.08Å | ||
| 99 | D | 55.7 | Low | 67 | Low | 162 Ų | 162 | 136.6 Ų | 136.6 | 87% | 0.866 | 66% | 0.661 | S | S | * | * | trans | -64.6 | -4.7 | 161.6 | -90.1 | -26.5 | 0 | 0 | 0 | 111.4 | I101 | D99-I101 VanDerWaalsContact C-N 3.34Š| ||
| 100 | E | 61.9 | Low | 68.9 | Low | 170 Ų | 170 | 133.1 Ų | 133.1 | 79% | 0.794 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -92.2 | 68.2 | 152.8 | -65.9 | -171.5 | 172.8 | 0 | 0 | 109 | D98 E102 | D98-E100 CarbonylContact O-C 3.56Å; D98-E100 PolarHBondContact O-N 3.39Å; E100-E102 PolarHBondContact O-N 3.46Å |
| 101 | I | 63.7 | Low | 70.6 | Confident | 124 Ų | 124 | 130.8 Ų | 130.8 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | trans | -59.5 | 92 | 163.3 | -63.7 | 174.2 | 0 | 0 | 0 | 105.4 | D98 D99 D103 | D98-I101 VanDerWaalsContact O-CG1 3.31Å; D98-I101 WeakPolarHBondContact O-CG1 3.18Å; D98-I101 PolarHBondContact O-N 2.88Å; D98-I101 VanDerWaalsContact O-N 3.08Å; D99-I101 VanDerWaalsContact C-N 3.34Å; I101-D103 PolarHBondContact O-N 3.22Å; I101-D103 VanDerWaalsContact O-N 3.11Å | ||
| 102 | E | 64.7 | Low | 72.3 | Confident | 140 Ų | 140 | 128.8 Ų | 128.8 | 65% | 0.654 | 65% | 0.649 | S | S | * | * | trans | -61.5 | 121 | 178 | -161.3 | 158.7 | -151.6 | 0 | 0 | 106.3 | E100 N106 | E100-E102 PolarHBondContact O-N 3.46Å; E102-N106 HydrophobicContact CG-CB 4.41Å | ||
| 103 | D | 73.3 | Confident | 73.3 | Confident | 99 Ų | 99 | 121.8 Ų | 121.8 | 53% | 0.529 | 63% | 0.626 | S | S | . | * | trans | -45.2 | 128 | -169.7 | -95.4 | -34 | 0 | 0 | 0 | 109.3 | I101 K105 N106 | I101-D103 PolarHBondContact O-N 3.22Å; I101-D103 VanDerWaalsContact O-N 3.11Å; D103-K105 PolarHBondContact O-N 3.02Å; D103-N106 WeakPolarHBondContact O-CB 3.31Å; D103-N106 PolarHBondContact O-N 3.4Å | ||
| 104 | P | 71.8 | Confident | 74.7 | Confident | 61 Ų | 61 | 117.9 Ų | 117.9 | 40% | 0.396 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -53.8 | -22.5 | -179.8 | -29.2 | 34.7 | 0 | 0 | 0 | 113.5 | N106 W107 M108 | P104-N106 VanDerWaalsContact C-N 3.28Å; P104-N106 PolarHBondContact O-N 2.95Å; P104-W107 HydrophobicContact CB-CZ2 4.29Å; P104-M108 HydrophobicContact CB-SD 4.16Å; P104-M108 WeakPolarHBondContact O-CB 3.44Å; P104-M108 WeakPolarHBondContact O-CG 3.48Å; P104-M108 PolarHBondContact O-N 2.82Å |
| 105 | K | 74.5 | Confident | 75.9 | Confident | 176 Ų | 176 | 117.3 Ų | 117.3 | 77% | 0.765 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.6 | -22.8 | 174.9 | -61.8 | 172.4 | -175.3 | 167.2 | 0 | 114.1 | D103 | D103-K105 PolarHBondContact O-N 3.02Å |
| 106 | N | 80.7 | Confident | 77.1 | Confident | 122 Ų | 122 | 117.2 Ų | 117.2 | 65% | 0.652 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.7 | -34 | 179.6 | -93.4 | 47.3 | 0 | 0 | 0 | 112.5 | E102 D103 P104 | E102-N106 HydrophobicContact CG-CB 4.41Å; D103-N106 WeakPolarHBondContact O-CB 3.31Å; D103-N106 PolarHBondContact O-N 3.4Å; P104-N106 VanDerWaalsContact C-N 3.28Å; P104-N106 PolarHBondContact O-N 2.95Å |
| 107 | W | 83.3 | Confident | 78.8 | Confident | 182 Ų | 182 | 110 Ų | 110 | 69% | 0.689 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -110.5 | -18.7 | -177.7 | 62.8 | -98.4 | 0 | 0 | 0 | 113.5 | P104 | P104-W107 HydrophobicContact CB-CZ2 4.29Å |
| 108 | M | 84.8 | Confident | 80.3 | Confident | 90 Ų | 90 | 111.9 Ų | 111.9 | 44% | 0.443 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -83.1 | 126.3 | 173.4 | -69 | -174.9 | 67.9 | 0 | 0 | 111 | P104 | P104-M108 HydrophobicContact CB-SD 4.16Å; P104-M108 WeakPolarHBondContact O-CB 3.44Å; P104-M108 WeakPolarHBondContact O-CG 3.48Å; P104-M108 PolarHBondContact O-N 2.82Å |
| 109 | P | 86.8 | Confident | 82.2 | Confident | 64 Ų | 64 | 112.7 Ų | 112.7 | 42% | 0.416 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 156.3 | 170.5 | 27.1 | -32.5 | 0 | 0 | 0 | 110.8 | I114 | P109-I114 HydrophobicContact CG-CD1 4.18Å; P109-I114 HydrophobicContact CG-CG1 3.87Å |
| 110 | P | 91.6 | Very high | 83.9 | Confident | 85 Ų | 85 | 106.2 Ų | 106.2 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 139.9 | 177.1 | -25.7 | 33.8 | 0 | 0 | 0 | 112 | D112 E113 I114 | P110-D112 PolarHBondContact O-N 3.47Å; P110-D112 VanDerWaalsContact O-N 3.08Å; P110-E113 HydrophobicContact CB-CB 4.45Å; P110-E113 WeakPolarHBondContact O-CB 3.19Å; P110-E113 PolarHBondContact O-N 2.86Å; P110-I114 PolarHBondContact O-N 3.45Å |
| 111 | P | 91.8 | Very high | 85.3 | Confident | 90 Ų | 90 | 103 Ų | 103 | 58% | 0.584 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -55.7 | -30.5 | -178.3 | -28 | 34.9 | 0 | 0 | 0 | 114.8 | I114 K115 | P111-I114 WeakPolarHBondContact O-CB 3.44Å; P111-I114 PolarHBondContact O-N 3.46Å; P111-K115 WeakPolarHBondContact O-CG 3.44Å; P111-K115 PolarHBondContact O-N 2.86Å; P111-K115 VanDerWaalsContact O-N 3.15Å |
| 112 | D | 93.1 | Very high | 86.6 | Confident | 117 Ų | 117 | 101.8 Ų | 101.8 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.6 | -34.4 | 177.9 | -61 | -33.8 | 0 | 0 | 0 | 112.1 | P110 I114 K115 R116 | P110-D112 PolarHBondContact O-N 3.47Å; P110-D112 VanDerWaalsContact O-N 3.08Å; D112-I114 VanDerWaalsContact C-N 3.35Å; D112-K115 PolarHBondContact O-N 2.88Å; D112-K115 IonicContact OD1-NZ 2.88Å; D112-R116 PolarHBondContact O-N 3.13Å |
| 113 | E | 91.6 | Very high | 87.9 | Confident | 67 Ų | 67 | 102.1 Ų | 102.1 | 31% | 0.313 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -40.7 | 173.6 | -177.9 | 58.4 | -162.4 | 0 | 0 | 110.3 | P110 K115 R116 L117 | P110-E113 HydrophobicContact CB-CB 4.45Å; P110-E113 WeakPolarHBondContact O-CB 3.19Å; P110-E113 PolarHBondContact O-N 2.86Å; E113-K115 VanDerWaalsContact C-N 3.34Å; E113-K115 PolarHBondContact O-N 3.47Å; E113-R116 WeakPolarHBondContact O-CB 3.37Å; E113-R116 PolarHBondContact O-N 3.13Å; E113-R116 IonicContact OE1-CZ 3.31Å; E113-R116 VanDerWaalsContact OE1-CZ 3.31Å; E113-R116 IonicContact OE1-NE 3.95Å; E113-R116 PolarHBondContact OE1-NE 2.68Å; E113-R116 VanDerWaalsContact OE1-NE 3.14Å; E113-R116 IonicContact OE1-NH2 2.67Å; E113-R116 PolarHBondContact OE1-NH2 3.03Å; E113-R116 IonicContact OE2-CZ 3.76Å; E113-R116 IonicContact OE2-NE 3.14Å; E113-R116 PolarHBondContact OE2-NE 2.85Å; E113-R116 IonicContact OE2-NH2 3.84Å; E113-L117 HydrophobicContact CG-CD1 4.21Å; E113-L117 HydrophobicContact CG-CG 4.46Å; E113-L117 WeakPolarHBondContact O-CG 3.15Å; E113-L117 PolarHBondContact O-N 3.24Å |
| 114 | I | 91.5 | Very high | 88.6 | Confident | 52 Ų | 52 | 100.4 Ų | 100.4 | 27% | 0.267 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 174.7 | -60.9 | 175.1 | 0 | 0 | 0 | 110.4 | P109 P110 P111 D112 R116 L117 Y118 | P109-I114 HydrophobicContact CG-CD1 4.18Å; P109-I114 HydrophobicContact CG-CG1 3.87Å; P110-I114 PolarHBondContact O-N 3.45Å; P111-I114 WeakPolarHBondContact O-CB 3.44Å; P111-I114 PolarHBondContact O-N 3.46Å; D112-I114 VanDerWaalsContact C-N 3.35Å; I114-R116 PolarHBondContact O-N 2.64Å; I114-L117 WeakPolarHBondContact O-CB 3.1Å; I114-L117 PolarHBondContact O-N 3.15Å; I114-Y118 HydrophobicContact CG2-CD2 3.68Å; I114-Y118 HydrophobicContact CG2-CE2 3.5Å; I114-Y118 VanDerWaalsContact CG2-CE2 3.5Å; I114-Y118 WeakPolarHBondContact O-CD2 2.95Å; I114-Y118 PolarHBondContact O-N 3.18Å |
| 115 | K | 93.6 | Very high | 89.2 | Confident | 130 Ų | 130 | 102.8 Ų | 102.8 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.9 | -45.5 | 177.2 | -69.1 | 172.2 | -173.2 | 166.2 | 0 | 112.2 | P111 D112 E113 L117 Y118 E119 | P111-K115 WeakPolarHBondContact O-CG 3.44Å; P111-K115 PolarHBondContact O-N 2.86Å; P111-K115 VanDerWaalsContact O-N 3.15Å; D112-K115 PolarHBondContact O-N 2.88Å; D112-K115 IonicContact OD1-NZ 2.88Å; E113-K115 VanDerWaalsContact C-N 3.34Å; E113-K115 PolarHBondContact O-N 3.47Å; K115-L117 VanDerWaalsContact C-N 3.3Å; K115-L117 PolarHBondContact O-N 3.38Å; K115-Y118 PolarHBondContact O-N 3.08Å; K115-E119 PolarHBondContact O-N 3.42Å |
| 116 | R | 93.4 | Very high | 89.6 | Confident | 119 Ų | 119 | 103.6 Ų | 103.6 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -55.9 | -45.9 | 176.7 | -170.6 | -168.8 | 76.3 | 89.5 | 4.9 | 111.3 | D112 E113 I114 E119 L120 | D112-R116 PolarHBondContact O-N 3.13Å; E113-R116 WeakPolarHBondContact O-CB 3.37Å; E113-R116 PolarHBondContact O-N 3.13Å; E113-R116 IonicContact OE1-CZ 3.31Å; E113-R116 VanDerWaalsContact OE1-CZ 3.31Å; E113-R116 IonicContact OE1-NE 3.95Å; E113-R116 PolarHBondContact OE1-NE 2.68Å; E113-R116 VanDerWaalsContact OE1-NE 3.14Å; E113-R116 IonicContact OE1-NH2 2.67Å; E113-R116 PolarHBondContact OE1-NH2 3.03Å; E113-R116 IonicContact OE2-CZ 3.76Å; E113-R116 IonicContact OE2-NE 3.14Å; E113-R116 PolarHBondContact OE2-NE 2.85Å; E113-R116 IonicContact OE2-NH2 3.84Å; I114-R116 PolarHBondContact O-N 2.64Å; R116-E119 PolarHBondContact O-N 2.86Å; R116-L120 HydrophobicContact CG-CD1 4.03Å; R116-L120 VanDerWaalsContact NH1-CD1 3.3Å; R116-L120 VanDerWaalsContact O-CD1 3.31Å; R116-L120 WeakPolarHBondContact O-CD1 3.37Å; R116-L120 WeakPolarHBondContact O-CG 3.09Å; R116-L120 PolarHBondContact O-N 2.76Å |
| 117 | L | 91.5 | Very high | 89.8 | Confident | 46 Ų | 46 | 101.3 Ų | 101.3 | 24% | 0.241 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 178.4 | -66.8 | 171.2 | 0 | 0 | 0 | 112 | E113 I114 K115 E119 L120 L121 L127 | E113-L117 HydrophobicContact CG-CD1 4.21Å; E113-L117 HydrophobicContact CG-CG 4.46Å; E113-L117 WeakPolarHBondContact O-CG 3.15Å; E113-L117 PolarHBondContact O-N 3.24Å; I114-L117 WeakPolarHBondContact O-CB 3.1Å; I114-L117 PolarHBondContact O-N 3.15Å; K115-L117 VanDerWaalsContact C-N 3.3Å; K115-L117 PolarHBondContact O-N 3.38Å; L117-E119 VanDerWaalsContact C-N 3.33Å; L117-E119 PolarHBondContact O-N 3.42Å; L117-L120 WeakPolarHBondContact O-CB 3.13Å; L117-L120 PolarHBondContact O-N 2.79Å; L117-L121 WeakPolarHBondContact O-CG 3.09Å; L117-L121 PolarHBondContact O-N 3.47Å; L117-L127 HydrophobicContact CD2-CD1 4.32Å; L117-L127 HydrophobicContact CD2-CD2 3.25Å; L117-L127 HydrophobicContact CD2-CG 4.37Å |
| 118 | Y | 92.8 | Very high | 89.8 | Confident | 163 Ų | 163 | 101.2 Ų | 101.2 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.3 | -35.1 | 175.6 | -80.7 | -73 | 0 | 0 | 0 | 112.7 | I114 K115 L121 S122 | I114-Y118 HydrophobicContact CG2-CD2 3.68Å; I114-Y118 HydrophobicContact CG2-CE2 3.5Å; I114-Y118 VanDerWaalsContact CG2-CE2 3.5Å; I114-Y118 WeakPolarHBondContact O-CD2 2.95Å; I114-Y118 PolarHBondContact O-N 3.18Å; K115-Y118 PolarHBondContact O-N 3.08Å; Y118-L121 PolarHBondContact O-N 3.14Å; Y118-S122 WeakPolarHBondContact O-CB 3.49Å; Y118-S122 PolarHBondContact O-N 2.68Å; Y118-S122 PolarHBondContact O-OG 3.46Å |
| 119 | E | 93.8 | Very high | 89.8 | Confident | 108 Ų | 108 | 104.1 Ų | 104.1 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.2 | -34.3 | 172.8 | -75.5 | -176 | -167.1 | 0 | 0 | 113.2 | K115 R116 L117 S122 K123 | K115-E119 PolarHBondContact O-N 3.42Å; R116-E119 PolarHBondContact O-N 2.86Å; L117-E119 VanDerWaalsContact C-N 3.33Å; L117-E119 PolarHBondContact O-N 3.42Å; E119-S122 WeakPolarHBondContact CA-OG 3.33Å; E119-S122 PolarHBondContact O-OG 2.69Å; E119-K123 VanDerWaalsContact O-CD 3.28Å; E119-K123 WeakPolarHBondContact O-CD 3.18Å; E119-K123 WeakPolarHBondContact O-CG 3.33Å; E119-K123 PolarHBondContact O-N 2.69Å; E119-K123 IonicContact OE2-NZ 3.99Å |
| 120 | L | 92.1 | Very high | 89.5 | Confident | 26 Ų | 26 | 108.9 Ų | 108.9 | 14% | 0.136 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -67.7 | -44.3 | 173.6 | -77.3 | 148.5 | 0 | 0 | 0 | 111 | R116 L117 K123 G124 E125 L127 | R116-L120 HydrophobicContact CG-CD1 4.03Å; R116-L120 VanDerWaalsContact NH1-CD1 3.3Å; R116-L120 VanDerWaalsContact O-CD1 3.31Å; R116-L120 WeakPolarHBondContact O-CD1 3.37Å; R116-L120 WeakPolarHBondContact O-CG 3.09Å; R116-L120 PolarHBondContact O-N 2.76Å; L117-L120 WeakPolarHBondContact O-CB 3.13Å; L117-L120 PolarHBondContact O-N 2.79Å; L120-K123 PolarHBondContact O-N 2.98Å; L120-G124 PolarHBondContact O-N 2.62Å; L120-E125 HydrophobicContact CD2-CB 4.39Å; L120-E125 HydrophobicContact CD2-CG 4.39Å; L120-E125 VanDerWaalsContact CD2-OE2 3.24Å; L120-E125 WeakPolarHBondContact CD2-OE2 3.49Å; L120-E125 WeakPolarHBondContact O-CB 3.49Å; L120-E125 PolarHBondContact O-N 2.79Å; L120-L127 HydrophobicContact CB-CD1 3.81Å; L120-L127 HydrophobicContact CD1-CD1 4.33Å |
| 121 | L | 90.5 | Very high | 89.3 | Confident | 103 Ų | 103 | 112.8 Ų | 112.8 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.8 | -39.1 | 176.8 | -69.3 | 173.4 | 0 | 0 | 0 | 112.1 | L117 Y118 K123 G124 | L117-L121 WeakPolarHBondContact O-CG 3.09Å; L117-L121 PolarHBondContact O-N 3.47Å; Y118-L121 PolarHBondContact O-N 3.14Å; L121-K123 VanDerWaalsContact C-N 3.26Å; L121-K123 PolarHBondContact O-N 2.77Å; L121-G124 PolarHBondContact O-N 2.91Å |
| 122 | S | 91.3 | Very high | 89 | Confident | 97 Ų | 97 | 114.2 Ų | 114.2 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.5 | -28.1 | 177.2 | 72.6 | 0 | 0 | 0 | 0 | 112.7 | Y118 E119 G124 | Y118-S122 WeakPolarHBondContact O-CB 3.49Å; Y118-S122 PolarHBondContact O-N 2.68Å; Y118-S122 PolarHBondContact O-OG 3.46Å; E119-S122 WeakPolarHBondContact CA-OG 3.33Å; E119-S122 PolarHBondContact O-OG 2.69Å; S122-G124 PolarHBondContact O-N 3.39Å |
| 123 | K | 93 | Very high | 88.6 | Confident | 147 Ų | 147 | 112.6 Ų | 112.6 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -5.4 | 170.7 | -69.2 | 165.4 | -168.8 | 163.7 | 0 | 113.3 | E119 L120 L121 E125 | E119-K123 VanDerWaalsContact O-CD 3.28Å; E119-K123 WeakPolarHBondContact O-CD 3.18Å; E119-K123 WeakPolarHBondContact O-CG 3.33Å; E119-K123 PolarHBondContact O-N 2.69Å; E119-K123 IonicContact OE2-NZ 3.99Å; L120-K123 PolarHBondContact O-N 2.98Å; L121-K123 VanDerWaalsContact C-N 3.26Å; L121-K123 PolarHBondContact O-N 2.77Å; K123-E125 VanDerWaalsContact C-N 3.31Å |
| 124 | G | 87.3 | Confident | 88.4 | Confident | 64 Ų | 64 | 116.5 Ų | 116.5 | 66% | 0.66 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.3 | 16.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | L120 L121 S122 | L120-G124 PolarHBondContact O-N 2.62Å; L121-G124 PolarHBondContact O-N 2.91Å; S122-G124 PolarHBondContact O-N 3.39Å |
| 125 | E | 83.7 | Confident | 88.3 | Confident | 111 Ų | 111 | 120 Ų | 120 | 52% | 0.519 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -78.8 | 129.8 | 179.8 | -165 | 172.1 | 163.1 | 0 | 0 | 110.3 | L120 K123 L127 | L120-E125 HydrophobicContact CD2-CB 4.39Å; L120-E125 HydrophobicContact CD2-CG 4.39Å; L120-E125 VanDerWaalsContact CD2-OE2 3.24Å; L120-E125 WeakPolarHBondContact CD2-OE2 3.49Å; L120-E125 WeakPolarHBondContact O-CB 3.49Å; L120-E125 PolarHBondContact O-N 2.79Å; K123-E125 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.84Å |
| 126 | K | 84.6 | Confident | 87.9 | Confident | 192 Ų | 192 | 124.7 Ų | 124.7 | 84% | 0.835 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 119.3 | 177.6 | -63.3 | -179.5 | -177 | 179.8 | 0 | 108.5 | E128 | K126-E128 PolarHBondContact O-N 2.65Š|
| 127 | L | 84.1 | Confident | 87.6 | Confident | 75 Ų | 75 | 130.2 Ų | 130.2 | 39% | 0.393 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -71.9 | 120.5 | 175.3 | -104.8 | 90.3 | 0 | 0 | 0 | 111.3 | L117 L120 E125 L129 | L117-L127 HydrophobicContact CD2-CD1 4.32Å; L117-L127 HydrophobicContact CD2-CD2 3.25Å; L117-L127 HydrophobicContact CD2-CG 4.37Å; L120-L127 HydrophobicContact CB-CD1 3.81Å; L120-L127 HydrophobicContact CD1-CD1 4.33Å; E125-L127 PolarHBondContact O-N 2.84Å; L127-L129 PolarHBondContact O-N 3.2Å |
| 128 | E | 83.5 | Confident | 87.2 | Confident | 180 Ų | 180 | 133.2 Ų | 133.2 | 84% | 0.841 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 116.4 | 170.5 | -63.4 | -172 | 169.9 | 0 | 0 | 109.5 | K126 | K126-E128 PolarHBondContact O-N 2.65Š|
| 129 | L | 84 | Confident | 86.8 | Confident | 150 Ų | 150 | 131.1 Ų | 131.1 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 127.1 | 176 | -65 | 174.8 | 0 | 0 | 0 | 109.4 | L127 F131 | L127-L129 PolarHBondContact O-N 3.2Å; L129-F131 PolarHBondContact O-N 3.23Å |
| 130 | N | 81.6 | Confident | 86.3 | Confident | 165 Ų | 165 | 132.3 Ų | 132.3 | 88% | 0.882 | 69% | 0.692 | S | S | * | * | trans | -75.3 | 70.1 | 171.3 | -68.8 | -67.5 | 0 | 0 | 0 | 110 | V132 | N130-V132 PolarHBondContact O-N 3.42Š| ||
| 131 | F | 85.9 | Confident | 85.9 | Confident | 166 Ų | 166 | 136.3 Ų | 136.3 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | trans | -85.4 | 108.4 | 172.8 | -175.2 | -105.1 | 0 | 0 | 0 | 109.4 | L129 P133 | L129-F131 PolarHBondContact O-N 3.23Å; F131-P133 HydrophobicContact CD1-CB 4.47Å; F131-P133 HydrophobicContact CD1-CG 3.91Å; F131-P133 HydrophobicContact CE1-CB 3.84Å; F131-P133 HydrophobicContact CE1-CG 3.72Å; F131-P133 WeakPolarHBondContact O-CD 3.49Å | ||
| 132 | V | 87.2 | Confident | 85.3 | Confident | 121 Ų | 121 | 140.2 Ų | 140.2 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | -93.9 | 107.1 | 167.2 | -178.8 | 0 | 0 | 0 | 0 | 106.7 | N130 L134 | N130-V132 PolarHBondContact O-N 3.42Å; V132-L134 PolarHBondContact O-N 2.77Å; V132-L134 VanDerWaalsContact O-N 3.12Å | ||
| 133 | P | 84.8 | Confident | 84.4 | Confident | 83 Ų | 83 | 146.3 Ų | 146.3 | 54% | 0.539 | 74% | 0.744 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 123.4 | 177.3 | -18.2 | 29.1 | 0 | 0 | 0 | 108.8 | F131 | F131-P133 HydrophobicContact CD1-CB 4.47Å; F131-P133 HydrophobicContact CD1-CG 3.91Å; F131-P133 HydrophobicContact CE1-CB 3.84Å; F131-P133 HydrophobicContact CE1-CG 3.72Å; F131-P133 WeakPolarHBondContact O-CD 3.49Å |
| 134 | L | 86.4 | Confident | 82.9 | Confident | 149 Ų | 149 | 145 Ų | 145 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 146.5 | 173.2 | -71.7 | 169.7 | 0 | 0 | 0 | 109.5 | V132 R136 | V132-L134 PolarHBondContact O-N 2.77Å; V132-L134 VanDerWaalsContact O-N 3.12Å; L134-R136 PolarHBondContact O-N 3.34Å |
| 135 | P | 89 | Confident | 81.8 | Confident | 124 Ų | 124 | 147 Ų | 147 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55 | 117.5 | 179 | 22.4 | -32.5 | 0 | 0 | 0 | 109.1 | ||
| 136 | R | 86.4 | Confident | 80.5 | Confident | 229 Ų | 229 | 145.3 Ų | 145.3 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 148.6 | 173.5 | -65.8 | -175.1 | 177.6 | 174.6 | -0.2 | 108.1 | L134 | L134-R136 PolarHBondContact O-N 3.34Š|
| 137 | R | 85.8 | Confident | 79.4 | Confident | 235 Ų | 235 | 142.2 Ų | 142.2 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 143.2 | 167.2 | -65.4 | -177.1 | -179.4 | -177.8 | 0.6 | 108.1 | ||
| 138 | P | 84.1 | Confident | 77.7 | Confident | 110 Ų | 110 | 147.7 Ų | 147.7 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 145.2 | 172.3 | 25 | -33.5 | 0 | 0 | 0 | 108.6 | T140 | P138-T140 PolarHBondContact O-N 3.17Š|
| 139 | P | 84.5 | Confident | 76 | Confident | 119 Ų | 119 | 144.1 Ų | 144.1 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 138.7 | 174.8 | 23.1 | -33 | 0 | 0 | 0 | 108.8 | P141 | P139-P141 VanDerWaalsContact O-N 3.13Š|
| 140 | T | 82.9 | Confident | 74.5 | Confident | 132 Ų | 132 | 143.5 Ų | 143.5 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 125.5 | 173.9 | -55.9 | 0 | 0 | 0 | 0 | 107.5 | P138 E142 | P138-T140 PolarHBondContact O-N 3.17Å; T140-E142 PolarHBondContact O-N 2.91Å |
| 141 | P | 83.5 | Confident | 72.9 | Confident | 111 Ų | 111 | 143.5 Ų | 143.5 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 135.9 | -179.5 | -24.6 | 31.4 | 0 | 0 | 0 | 109.6 | P139 R143 | P139-P141 VanDerWaalsContact O-N 3.13Å; P141-R143 PolarHBondContact O-N 2.64Å |
| 142 | E | 77.6 | Confident | 71.1 | Confident | 184 Ų | 184 | 140.2 Ų | 140.2 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 132.1 | 172.8 | -65.8 | -160.6 | 169.1 | 0 | 0 | 108.4 | T140 T144 | T140-E142 PolarHBondContact O-N 2.91Å; E142-T144 PolarHBondContact O-N 3.36Å |
| 143 | R | 71.7 | Confident | 69.4 | Low | 225 Ų | 225 | 137.2 Ų | 137.2 | 85% | 0.849 | 72% | 0.716 | S | S | * | * | trans | -61.5 | 102.7 | -178.9 | -177.1 | 179 | -178.9 | -127.9 | 0.2 | 107.6 | P141 | P141-R143 PolarHBondContact O-N 2.64Š| ||
| 144 | T | 63.3 | Low | 67.7 | Low | 119 Ų | 119 | 141.1 Ų | 141.1 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 128.6 | 174.4 | 50.7 | 0 | 0 | 0 | 0 | 108.3 | E142 S146 | E142-T144 PolarHBondContact O-N 3.36Å; T144-S146 PolarHBondContact O-N 2.98Å; T144-S146 VanDerWaalsContact O-N 3.15Å |
| 145 | P | 63.4 | Low | 66.2 | Low | 107 Ų | 107 | 136.7 Ų | 136.7 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -61 | 121 | 169.2 | 24.8 | -30.4 | 0 | 0 | 0 | 107.3 | ||
| 146 | S | 56.4 | Low | 64.7 | Low | 76 Ų | 76 | 132.8 Ų | 132.8 | 53% | 0.531 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -65 | 132.4 | 178.6 | -169 | 0 | 0 | 0 | 0 | 109 | T144 E148 R149 | T144-S146 PolarHBondContact O-N 2.98Å; T144-S146 VanDerWaalsContact O-N 3.15Å; S146-E148 PolarHBondContact O-N 3.11Å; S146-R149 PolarHBondContact O-N 2.71Å |
| 147 | P | 61.1 | Low | 63.3 | Low | 127 Ų | 127 | 129.2 Ų | 129.2 | 83% | 0.825 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -1.7 | -174.8 | -24.3 | 33.4 | 0 | 0 | 0 | 117.2 | ||
| 148 | E | 48.7 | Very low | 61.9 | Low | 190 Ų | 190 | 124.8 Ų | 124.8 | 89% | 0.888 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 17.5 | 179.7 | -70.5 | -170.6 | 128.7 | 0 | 0 | 113.4 | S146 | S146-E148 PolarHBondContact O-N 3.11Š|
| 149 | R | 48.5 | Very low | 60.6 | Low | 105 Ų | 105 | 127.6 Ų | 127.6 | 40% | 0.396 | 66% | 0.662 | S | S | . | * | trans | -126.5 | 12.6 | -171.7 | -120.3 | -168.9 | 167 | -155.9 | -16.7 | 116.1 | S146 D151 E152 D153 | S146-R149 PolarHBondContact O-N 2.71Å; R149-D151 PolarHBondContact O-N 3.08Å; R149-D151 VanDerWaalsContact O-N 3.13Å; R149-E152 HydrophobicContact CG-CB 4.08Å; R149-E152 HydrophobicContact CG-CG 4.46Å; R149-E152 IonicContact CZ-OE2 3.27Å; R149-E152 IonicContact NE-OE2 3.58Å; R149-E152 PolarHBondContact NE-OE2 3.42Å; R149-E152 IonicContact NH2-OE2 2.98Å; R149-E152 PolarHBondContact NH2-OE2 3.32Å; R149-E152 CarbonylContact O-C 3.55Å; R149-E152 WeakPolarHBondContact O-CA 3.38Å; R149-E152 PolarHBondContact O-N 3.15Å; R149-D153 PolarHBondContact O-N 3.42Å; R149-D153 VanDerWaalsContact O-N 3.13Å | ||
| 150 | D | 51.5 | Low | 59.4 | Low | 136 Ų | 136 | 127.5 Ų | 127.5 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -17.6 | -174.1 | -128.9 | -5.5 | 0 | 0 | 0 | 113.6 | ||
| 151 | D | 47.9 | Very low | 58.2 | Low | 165 Ų | 165 | 129.8 Ų | 129.8 | 88% | 0.882 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -12.8 | 171.8 | -61.8 | -43.7 | 0 | 0 | 0 | 113.3 | R149 | R149-D151 PolarHBondContact O-N 3.08Å; R149-D151 VanDerWaalsContact O-N 3.13Å |
| 152 | E | 48.2 | Very low | 57.1 | Low | 98 Ų | 98 | 128.4 Ų | 128.4 | 46% | 0.458 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.4 | -9.5 | 171 | -68.2 | -164.9 | 149.7 | 0 | 0 | 111.9 | R149 A155 T156 | R149-E152 HydrophobicContact CG-CB 4.08Å; R149-E152 HydrophobicContact CG-CG 4.46Å; R149-E152 IonicContact CZ-OE2 3.27Å; R149-E152 IonicContact NE-OE2 3.58Å; R149-E152 PolarHBondContact NE-OE2 3.42Å; R149-E152 IonicContact NH2-OE2 2.98Å; R149-E152 PolarHBondContact NH2-OE2 3.32Å; R149-E152 CarbonylContact O-C 3.55Å; R149-E152 WeakPolarHBondContact O-CA 3.38Å; R149-E152 PolarHBondContact O-N 3.15Å; E152-A155 CarbonylContact O-C 3.5Å; E152-A155 PolarHBondContact O-N 3.47Å; E152-T156 HydrophobicContact CB-CG2 4.18Å; E152-T156 WeakPolarHBondContact O-CA 3.45Å; E152-T156 WeakPolarHBondContact O-CB 3.36Å; E152-T156 WeakPolarHBondContact O-CG2 3.44Å; E152-T156 PolarHBondContact O-N 3.48Å; E152-T156 PolarHBondContact O-OG1 3Å |
| 153 | D | 50.6 | Low | 56.1 | Low | 58 Ų | 58 | 122.7 Ų | 122.7 | 31% | 0.31 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.8 | -33.5 | -176.6 | -79.2 | -46.6 | 0 | 0 | 0 | 112.7 | R149 T156 K157 | R149-D153 PolarHBondContact O-N 3.42Å; R149-D153 VanDerWaalsContact O-N 3.13Å; D153-T156 WeakPolarHBondContact CA-OG1 3.01Å; D153-T156 PolarHBondContact O-OG1 3.48Å; D153-K157 WeakPolarHBondContact O-CB 3.48Å; D153-K157 PolarHBondContact O-N 3.3Å |
| 154 | E | 50.9 | Low | 55.5 | Low | 165 Ų | 165 | 121.4 Ų | 121.4 | 77% | 0.771 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73.5 | -41.2 | 172.8 | -161.2 | 148.6 | -143.5 | 0 | 0 | 111.2 | T156 E158 | E154-T156 PolarHBondContact O-N 3.4Å; E154-E158 WeakPolarHBondContact O-CB 3.31Å; E154-E158 PolarHBondContact O-N 3.35Å |
| 155 | A | 54.6 | Low | 55.3 | Low | 56 Ų | 56 | 123.2 Ų | 123.2 | 46% | 0.463 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.4 | -30.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E152 R159 | E152-A155 CarbonylContact O-C 3.5Å; E152-A155 PolarHBondContact O-N 3.47Å; A155-R159 WeakPolarHBondContact O-CB 3.04Å; A155-R159 PolarHBondContact O-N 3.08Å |
| 156 | T | 55.9 | Low | 55 | Low | 41 Ų | 41 | 126.7 Ų | 126.7 | 25% | 0.252 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -86.5 | -29.1 | 178 | 56.9 | 0 | 0 | 0 | 0 | 112 | E152 D153 E154 R159 E160 | E152-T156 HydrophobicContact CB-CG2 4.18Å; E152-T156 WeakPolarHBondContact O-CA 3.45Å; E152-T156 WeakPolarHBondContact O-CB 3.36Å; E152-T156 WeakPolarHBondContact O-CG2 3.44Å; E152-T156 PolarHBondContact O-N 3.48Å; E152-T156 PolarHBondContact O-OG1 3Å; D153-T156 WeakPolarHBondContact CA-OG1 3.01Å; D153-T156 PolarHBondContact O-OG1 3.48Å; E154-T156 PolarHBondContact O-N 3.4Å; T156-R159 CarbonylContact O-C 3.58Å; T156-E160 WeakPolarHBondContact O-CA 2.88Å; T156-E160 WeakPolarHBondContact O-CB 2.96Å; T156-E160 PolarHBondContact O-N 3.23Å |
| 157 | K | 57.7 | Low | 54.8 | Low | 154 Ų | 154 | 129.4 Ų | 129.4 | 67% | 0.67 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.2 | -34.7 | 172 | -165.7 | 169.8 | -173.4 | 175.5 | 0 | 111.7 | D153 E160 R161 | D153-K157 WeakPolarHBondContact O-CB 3.48Å; D153-K157 PolarHBondContact O-N 3.3Å; K157-E160 PolarHBondContact O-N 3.35Å; K157-R161 WeakPolarHBondContact O-CB 3.44Å; K157-R161 PolarHBondContact O-N 3.16Å |
| 158 | E | 56.5 | Low | 54.5 | Low | 142 Ų | 142 | 126.7 Ų | 126.7 | 66% | 0.664 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.7 | -39.8 | 167.9 | -162.9 | 173.3 | -142 | 0 | 0 | 110.2 | E154 R161 E162 | E154-E158 WeakPolarHBondContact O-CB 3.31Å; E154-E158 PolarHBondContact O-N 3.35Å; E158-R161 PolarHBondContact O-N 3.18Å; E158-E162 WeakPolarHBondContact O-CA 3.41Å; E158-E162 WeakPolarHBondContact O-CB 3.17Å; E158-E162 PolarHBondContact O-N 2.9Å |
| 159 | R | 57 | Low | 55 | Low | 169 Ų | 169 | 123.3 Ų | 123.3 | 64% | 0.638 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73 | -25.5 | 173.3 | -167 | 174.5 | -160.8 | -110.8 | 1.8 | 114.2 | A155 T156 D163 | A155-R159 WeakPolarHBondContact O-CB 3.04Å; A155-R159 PolarHBondContact O-N 3.08Å; T156-R159 CarbonylContact O-C 3.58Å; R159-D163 WeakPolarHBondContact O-CA 3.49Å; R159-D163 WeakPolarHBondContact O-CB 3.09Å; R159-D163 PolarHBondContact O-N 3.18Å |
| 160 | E | 58.8 | Low | 55.4 | Low | 117 Ų | 117 | 122.7 Ų | 122.7 | 55% | 0.547 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -80 | -35.6 | 173.8 | -174.4 | -177 | -175.1 | 0 | 0 | 110.7 | T156 K157 D163 R164 | T156-E160 WeakPolarHBondContact O-CA 2.88Å; T156-E160 WeakPolarHBondContact O-CB 2.96Å; T156-E160 PolarHBondContact O-N 3.23Å; K157-E160 PolarHBondContact O-N 3.35Å; E160-D163 CarbonylContact O-C 3.59Å; E160-D163 PolarHBondContact O-N 2.97Å; E160-R164 WeakPolarHBondContact O-CB 3.31Å; E160-R164 PolarHBondContact O-N 3.01Å |
| 161 | R | 58.9 | Low | 55.7 | Low | 181 Ų | 181 | 122.4 Ų | 122.4 | 68% | 0.683 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.2 | -42.5 | 173.4 | -157.3 | 177.9 | -155.6 | -161 | 3.1 | 110.9 | K157 E158 D163 R164 E165 | K157-R161 WeakPolarHBondContact O-CB 3.44Å; K157-R161 PolarHBondContact O-N 3.16Å; E158-R161 PolarHBondContact O-N 3.18Å; R161-D163 VanDerWaalsContact C-N 3.35Å; R161-R164 PolarHBondContact O-N 3.21Å; R161-R164 VanDerWaalsContact O-N 3.14Å; R161-E165 WeakPolarHBondContact O-CB 3.3Å; R161-E165 WeakPolarHBondContact O-CG 3.34Å; R161-E165 PolarHBondContact O-N 2.76Å |
| 162 | E | 58.8 | Low | 56.2 | Low | 82 Ų | 82 | 119.9 Ų | 119.9 | 38% | 0.383 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.9 | -37.9 | 169.5 | -175.6 | 174.7 | -142.9 | 0 | 0 | 110.7 | E158 E165 R166 | E158-E162 WeakPolarHBondContact O-CA 3.41Å; E158-E162 WeakPolarHBondContact O-CB 3.17Å; E158-E162 PolarHBondContact O-N 2.9Å; E162-E165 CarbonylContact O-C 3.41Å; E162-E165 PolarHBondContact O-N 3.1Å; E162-R166 HydrophobicContact CG-CG 4.28Å; E162-R166 WeakPolarHBondContact O-CB 3.12Å; E162-R166 WeakPolarHBondContact O-CG 3.46Å; E162-R166 PolarHBondContact O-N 2.78Å; E162-R166 IonicContact OE1-CZ 3.92Å; E162-R166 VanDerWaalsContact OE1-CZ 3.24Å; E162-R166 IonicContact OE1-NE 3.03Å; E162-R166 PolarHBondContact OE1-NE 2.96Å; E162-R166 IonicContact OE1-NH2 2.69Å; E162-R166 PolarHBondContact OE1-NH2 2.7Å |
| 163 | D | 57.2 | Low | 56.4 | Low | 64 Ų | 64 | 123.7 Ų | 123.7 | 34% | 0.342 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.2 | -31.8 | 170.5 | -93.7 | -2.6 | 0 | 0 | 0 | 112 | R159 E160 R161 R166 K167 | R159-D163 WeakPolarHBondContact O-CA 3.49Å; R159-D163 WeakPolarHBondContact O-CB 3.09Å; R159-D163 PolarHBondContact O-N 3.18Å; E160-D163 CarbonylContact O-C 3.59Å; E160-D163 PolarHBondContact O-N 2.97Å; R161-D163 VanDerWaalsContact C-N 3.35Å; D163-R166 CarbonylContact O-C 3.6Å; D163-R166 PolarHBondContact O-N 2.88Å; D163-K167 HydrophobicContact CB-CD 4.27Å; D163-K167 VanDerWaalsContact CG-NZ 3.33Å; D163-K167 WeakPolarHBondContact O-CA 3.39Å; D163-K167 VanDerWaalsContact O-CB 3.31Å; D163-K167 WeakPolarHBondContact O-CB 3.06Å; D163-K167 WeakPolarHBondContact O-CD 3.2Å; D163-K167 PolarHBondContact O-N 2.98Å; D163-K167 IonicContact OD1-NZ 3.18Å; D163-K167 IonicContact OD2-NZ 2.62Å; D163-K167 PolarHBondContact OD2-NZ 3.24Å |
| 164 | R | 58.9 | Low | 56.4 | Low | 198 Ų | 198 | 129.6 Ų | 129.6 | 75% | 0.747 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.3 | -32.3 | 175.3 | -120.8 | 176.9 | 172.3 | 136.8 | -4.6 | 112.2 | E160 R161 | E160-R164 WeakPolarHBondContact O-CB 3.31Å; E160-R164 PolarHBondContact O-N 3.01Å; R161-R164 PolarHBondContact O-N 3.21Å; R161-R164 VanDerWaalsContact O-N 3.14Å |
| 165 | E | 60.6 | Low | 57.2 | Low | 157 Ų | 157 | 129.2 Ų | 129.2 | 73% | 0.734 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -79.7 | -21.9 | 172.3 | -71.6 | 173.4 | -172.7 | 0 | 0 | 112 | R161 E162 | R161-E165 WeakPolarHBondContact O-CB 3.3Å; R161-E165 WeakPolarHBondContact O-CG 3.34Å; R161-E165 PolarHBondContact O-N 2.76Å; E162-E165 CarbonylContact O-C 3.41Å; E162-E165 PolarHBondContact O-N 3.1Å |
| 166 | R | 55.7 | Low | 57.2 | Low | 180 Ų | 180 | 134.3 Ų | 134.3 | 68% | 0.679 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -100.2 | -10.9 | 175.1 | -68.2 | 176 | -174.7 | -130 | 5.4 | 114.5 | E162 D163 A168 | E162-R166 HydrophobicContact CG-CG 4.28Å; E162-R166 WeakPolarHBondContact O-CB 3.12Å; E162-R166 WeakPolarHBondContact O-CG 3.46Å; E162-R166 PolarHBondContact O-N 2.78Å; E162-R166 IonicContact OE1-CZ 3.92Å; E162-R166 VanDerWaalsContact OE1-CZ 3.24Å; E162-R166 IonicContact OE1-NE 3.03Å; E162-R166 PolarHBondContact OE1-NE 2.96Å; E162-R166 IonicContact OE1-NH2 2.69Å; E162-R166 PolarHBondContact OE1-NH2 2.7Å; D163-R166 CarbonylContact O-C 3.6Å; D163-R166 PolarHBondContact O-N 2.88Å; R166-A168 PolarHBondContact O-N 2.89Å |
| 167 | K | 52.3 | Low | 57.2 | Low | 132 Ų | 132 | 140 Ų | 140 | 57% | 0.574 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -73.6 | 114.5 | 163.7 | -101.2 | 78.6 | -177.9 | -180 | 0 | 105.1 | D163 | D163-K167 HydrophobicContact CB-CD 4.27Å; D163-K167 VanDerWaalsContact CG-NZ 3.33Å; D163-K167 WeakPolarHBondContact O-CA 3.39Å; D163-K167 VanDerWaalsContact O-CB 3.31Å; D163-K167 WeakPolarHBondContact O-CB 3.06Å; D163-K167 WeakPolarHBondContact O-CD 3.2Å; D163-K167 PolarHBondContact O-N 2.98Å; D163-K167 IonicContact OD1-NZ 3.18Å; D163-K167 IonicContact OD2-NZ 2.62Å; D163-K167 PolarHBondContact OD2-NZ 3.24Å |
| 168 | A | 55.2 | Low | 57 | Low | 71 Ų | 71 | 141.8 Ų | 141.8 | 59% | 0.587 | 69% | 0.689 | S | S | * | * | trans | -47.1 | 147.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | R166 S170 | R166-A168 PolarHBondContact O-N 2.89Å; A168-S170 PolarHBondContact O-N 3.45Å; A168-S170 VanDerWaalsContact O-N 3.17Å | ||
| 169 | P | 58.8 | Low | 57 | Low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -44.3 | 132.2 | 169.2 | 22.5 | -33.9 | 0 | 0 | 0 | 107.4 | P171 | P169-P171 VanDerWaalsContact O-N 3.07Š|
| 170 | S | 57.3 | Low | 56.9 | Low | 92 Ų | 92 | 141.6 Ų | 141.6 | 64% | 0.643 | 70% | 0.695 | S | S | * | * | trans | -37.1 | 122.1 | -175.3 | 48.2 | 0 | 0 | 0 | 0 | 109.3 | A168 T172 | A168-S170 PolarHBondContact O-N 3.45Å; A168-S170 VanDerWaalsContact O-N 3.17Å; S170-T172 PolarHBondContact O-N 3.12Å; S170-T172 PolarHBondContact O-OG1 3Å | ||
| 171 | P | 57.8 | Low | 56.4 | Low | 130 Ų | 130 | 142.4 Ų | 142.4 | 84% | 0.844 | 70% | 0.702 | S | S | * | * | trans | -61.4 | 91.9 | -179.4 | -19.6 | 30.6 | 0 | 0 | 0 | 107.7 | P169 E173 | P169-P171 VanDerWaalsContact O-N 3.07Å; P171-E173 PolarHBondContact O-N 2.81Å | ||
| 172 | T | 57.6 | Low | 56.2 | Low | 111 Ų | 111 | 141.7 Ų | 141.7 | 68% | 0.681 | 71% | 0.706 | S | S | * | * | trans | -89.6 | 96.6 | 170 | -36.2 | 0 | 0 | 0 | 0 | 101.2 | S170 | S170-T172 PolarHBondContact O-N 3.12Å; S170-T172 PolarHBondContact O-OG1 3Å | ||
| 173 | E | 53.8 | Low | 56 | Low | 179 Ų | 179 | 145.8 Ų | 145.8 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 58.4 | 105.6 | 161.5 | -63.3 | 172.1 | 159.4 | 0 | 0 | 118 | P171 | P171-E173 PolarHBondContact O-N 2.81Š|
| 174 | F | 50.5 | Low | 55.6 | Low | 181 Ų | 181 | 149.3 Ų | 149.3 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | 73.1 | 107 | 154.6 | -155.4 | -91.4 | 0 | 0 | 0 | 119 | F176 | F174-F176 HydrophobicContact CE2-CD2 4.08Å; F174-F176 HydrophobicContact CE2-CE2 4.2Å; F174-F176 HydrophobicContact CZ-CD2 4.07Å | ||
| 175 | D | 67.8 | Low | 56.1 | Low | 158 Ų | 158 | 145.4 Ų | 145.4 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | -153.9 | 126.9 | 151.7 | -154.6 | 0.9 | 0 | 0 | 0 | 111.4 | ||||
| 176 | F | 55.1 | Low | 55.6 | Low | 162 Ų | 162 | 148.2 Ų | 148.2 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -118 | 99.6 | -177.9 | -96.8 | -94.4 | 0 | 0 | 0 | 108 | F174 | F174-F176 HydrophobicContact CE2-CD2 4.08Å; F174-F176 HydrophobicContact CE2-CE2 4.2Å; F174-F176 HydrophobicContact CZ-CD2 4.07Å | ||
| 177 | D | 55.7 | Low | 55.9 | Low | 160 Ų | 160 | 146.5 Ų | 146.5 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | 163.6 | 99.7 | 146.2 | -86.7 | -17.7 | 0 | 0 | 0 | 111.5 | ||||
| 178 | E | 52.3 | Low | 56 | Low | 193 Ų | 193 | 144.5 Ų | 144.5 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -158.1 | 79.2 | 149.3 | -141.2 | 171.7 | -174.5 | 0 | 0 | 111.8 | ||||
| 179 | E | 56.2 | Low | 56.4 | Low | 158 Ų | 158 | 149.1 Ų | 149.1 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -77.9 | 156.6 | 175.1 | -155.4 | -168.8 | -146.9 | 0 | 0 | 111 | ||||
| 180 | Q | 55.6 | Low | 56.1 | Low | 148 Ų | 148 | 151.1 Ų | 151.1 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | 103.6 | -19.6 | 147.6 | -63 | -174.6 | -0.1 | 0 | 0 | 124.3 | ||||
| 181 | I | 48.3 | Very low | 56.4 | Low | 135 Ų | 135 | 154 Ų | 154 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -102.1 | 123.1 | -167.6 | -20.6 | -177.5 | 0 | 0 | 0 | 113.5 | ||||
| 182 | Q | 55.6 | Low | 56.3 | Low | 166 Ų | 166 | 158.8 Ų | 158.8 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 83.7 | 60.5 | 161.3 | -57.8 | 138.2 | 39.7 | 0 | 0 | 116.8 | ||||
| 183 | Q | 53.4 | Low | 56.2 | Low | 167 Ų | 167 | 165 Ų | 165 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | 43.4 | 82.8 | 71.3 | -60.7 | -165.2 | 2.7 | 0 | 0 | 117.2 | |||||
| 184 | T | 49 | Very low | 56.5 | Low | 139 Ų | 139 | 165.5 Ų | 165.5 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | 75 | 154.7 | 137.6 | 62.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 185 | P | 69.8 | Low | 56.4 | Low | 115 Ų | 115 | 162 Ų | 162 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -122.6 | 173.4 | -140.8 | 43.1 | -30.7 | 0 | 0 | 0 | 115.6 | ||||
| 186 | K | 50.7 | Low | 55.8 | Low | 217 Ų | 217 | 161.2 Ų | 161.2 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | -135.4 | 119.2 | 165.5 | -67.5 | -175.5 | -175.8 | 171.6 | 0 | 113.9 | ||||
| 187 | N | 61.9 | Low | 55.8 | Low | 143 Ų | 143 | 157.4 Ų | 157.4 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | -89.3 | 143.2 | -179.7 | -154.5 | -17.3 | 0 | 0 | 0 | 109.2 | ||||
| 188 | A | 52.6 | Low | 55.5 | Low | 90 Ų | 90 | 153.8 Ų | 153.8 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -152.1 | 85.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 189 | F | 63.9 | Low | 55.4 | Low | 169 Ų | 169 | 149.6 Ų | 149.6 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 41.1 | 114.2 | 130.8 | -53.2 | -76.1 | 0 | 0 | 0 | 119.7 | ||||
| 190 | I | 53 | Low | 55.2 | Low | 161 Ų | 161 | 146.2 Ų | 146.2 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | 166 | 111.7 | 113.2 | -77 | 136.6 | 0 | 0 | 0 | 111.2 | |||||
| 191 | N | 64.1 | Low | 55 | Low | 151 Ų | 151 | 147.8 Ų | 147.8 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -74.5 | 114.6 | 167.8 | -99.5 | -68.1 | 0 | 0 | 0 | 109.9 | ||||
| 192 | R | 55.9 | Low | 55.3 | Low | 231 Ų | 231 | 145.3 Ų | 145.3 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | -104.3 | 101.1 | 172.4 | -159.7 | 167.9 | 68.6 | 175.3 | 0.6 | 111.6 | ||||
| 193 | R | 55.8 | Low | 55 | Low | 241 Ų | 241 | 143.6 Ų | 143.6 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | 55.4 | 113.7 | 155.3 | -83.5 | 172.8 | 163.2 | -101.7 | -0.2 | 119.2 | ||||
| 194 | R | 60.3 | Low | 55.5 | Low | 191 Ų | 191 | 140.9 Ų | 140.9 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 139.4 | 170.7 | -64.4 | 172.4 | 167.4 | -164.2 | -4.9 | 110.7 | ||
| 195 | T | 46.7 | Very low | 56.5 | Low | 108 Ų | 108 | 142.3 Ų | 142.3 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 139.3 | 162.8 | 44.9 | 0 | 0 | 0 | 0 | 110.4 | G197 | T195-G197 PolarHBondContact O-N 3.38Š|
| 196 | P | 55.7 | Low | 57 | Low | 140 Ų | 140 | 149 Ų | 149 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 120.3 | 176.1 | 28.9 | -29.4 | 0 | 0 | 0 | 109.5 | ||
| 197 | G | 55.9 | Low | 58.3 | Low | 82 Ų | 82 | 144.2 Ų | 144.2 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.7 | -21 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T195 S199 | T195-G197 PolarHBondContact O-N 3.38Å; G197-S199 VanDerWaalsContact C-N 3.33Å; G197-S199 PolarHBondContact O-N 3.12Å; G197-S199 VanDerWaalsContact O-N 3.1Å |
| 198 | S | 49.7 | Very low | 59.3 | Low | 84 Ų | 84 | 141.9 Ų | 141.9 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | trans | -83.7 | 75.1 | 169 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | A200 | S198-A200 PolarHBondContact O-N 2.96Š| ||
| 199 | S | 49.3 | Very low | 61.2 | Low | 105 Ų | 105 | 145.5 Ų | 145.5 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -78.3 | 72.7 | 163.2 | -166.5 | 0 | 0 | 0 | 0 | 108.9 | G197 R201 | G197-S199 VanDerWaalsContact C-N 3.33Å; G197-S199 PolarHBondContact O-N 3.12Å; G197-S199 VanDerWaalsContact O-N 3.1Å; S199-R201 PolarHBondContact O-N 3.35Å | ||
| 200 | A | 51.6 | Low | 62.6 | Low | 88 Ų | 88 | 143.3 Ų | 143.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -72.2 | 30.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S198 | S198-A200 PolarHBondContact O-N 2.96Š| ||
| 201 | R | 51.7 | Low | 64.5 | Low | 181 Ų | 181 | 141.5 Ų | 141.5 | 68% | 0.683 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -108.7 | 87 | 175.3 | -73.4 | -173.8 | 174.1 | 176 | -5.5 | 109.6 | S199 | S199-R201 PolarHBondContact O-N 3.35Š|
| 202 | S | 54.3 | Low | 65.9 | Low | 83 Ų | 83 | 140.9 Ų | 140.9 | 58% | 0.58 | 73% | 0.731 | S | S | * | * | trans | 64.5 | 76.4 | 139.6 | 68.5 | 0 | 0 | 0 | 0 | 117.1 | V204 | S202-V204 VanDerWaalsContact CA-N 3.35Š| ||
| 203 | S | 50 | Low | 67.8 | Low | 129 Ų | 129 | 133 Ų | 133 | 90% | 0.902 | 71% | 0.709 | S | S | * | * | trans | -75.2 | 5.1 | 132.6 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | K205 | S203-K205 PolarHBondContact O-N 3.38Š| ||
| 204 | V | 63.2 | Low | 69.7 | Low | 111 Ų | 111 | 126.1 Ų | 126.1 | 67% | 0.673 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -54.3 | 111.3 | 167 | 179.3 | 0 | 0 | 0 | 0 | 107.3 | S202 R206 | S202-V204 VanDerWaalsContact CA-N 3.35Å; V204-R206 PolarHBondContact O-N 2.93Å |
| 205 | K | 70.6 | Confident | 71.3 | Confident | 169 Ų | 169 | 119.8 Ų | 119.8 | 74% | 0.735 | 67% | 0.674 | S | S | * | * | trans | -41.7 | 126.7 | 173.1 | -81.8 | 172.4 | 166.4 | 172.1 | 0 | 107.9 | S203 E207 | S203-K205 PolarHBondContact O-N 3.38Å; K205-E207 HydrophobicContact CB-CG 4.24Å; K205-E207 PolarHBondContact O-N 2.94Å | ||
| 206 | R | 79.7 | Confident | 73.6 | Confident | 255 Ų | 255 | 117.7 Ų | 117.7 | 96% | 0.962 | 66% | 0.659 | S | S | * | * | trans | -68.6 | 86.3 | 173.6 | -66.3 | -174.9 | -169.7 | 116.9 | 1.7 | 107.1 | V204 | V204-R206 PolarHBondContact O-N 2.93Š| ||
| 207 | E | 78.7 | Confident | 75.5 | Confident | 116 Ų | 116 | 115.9 Ų | 115.9 | 54% | 0.542 | 64% | 0.64 | S | S | . | * | trans | -80.2 | 129.8 | 173.9 | -69.8 | 168.8 | -170.1 | 0 | 0 | 108.1 | K205 R209 | K205-E207 HydrophobicContact CB-CG 4.24Å; K205-E207 PolarHBondContact O-N 2.94Å; E207-R209 VanDerWaalsContact C-N 3.25Å; E207-R209 HydrophobicContact CB-CG 4.33Å; E207-R209 PolarHBondContact O-N 3.38Å | ||
| 208 | A | 83.4 | Confident | 77.4 | Confident | 95 Ų | 95 | 118.5 Ų | 118.5 | 79% | 0.785 | 63% | 0.628 | S | S | * | * | trans | -74.6 | 81.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 209 | R | 91.3 | Very high | 79.5 | Confident | 165 Ų | 165 | 120 Ų | 120 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | trans | -80 | 139.3 | 174.1 | -59.4 | 179.2 | 89.5 | 130.4 | -2.9 | 109.4 | E207 D211 K212 V213 | E207-R209 VanDerWaalsContact C-N 3.25Å; E207-R209 HydrophobicContact CB-CG 4.33Å; E207-R209 PolarHBondContact O-N 3.38Å; R209-D211 VanDerWaalsContact C-N 3.26Å; R209-D211 PolarHBondContact O-N 3.48Å; R209-K212 HydrophobicContact CB-CB 4.44Å; R209-K212 WeakPolarHBondContact O-CA 3.42Å; R209-K212 WeakPolarHBondContact O-CB 3.27Å; R209-K212 PolarHBondContact O-N 3.08Å; R209-V213 PolarHBondContact O-N 3.35Å | ||
| 210 | L | 93.3 | Very high | 81.7 | Confident | 123 Ų | 123 | 118.9 Ų | 118.9 | 64% | 0.644 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -51.6 | -45 | 179.8 | -179.7 | 61.6 | 0 | 0 | 0 | 111.9 | K212 V213 L214 | L210-K212 PolarHBondContact O-N 2.82Å; L210-V213 PolarHBondContact O-N 3.27Å; L210-V213 VanDerWaalsContact O-N 3.12Å; L210-L214 HydrophobicContact CD1-CD1 4.19Å; L210-L214 HydrophobicContact CD1-CD2 4.43Å; L210-L214 HydrophobicContact CD1-CG 4.04Å; L210-L214 HydrophobicContact CG-CD1 3.96Å; L210-L214 HydrophobicContact CG-CG 4.24Å; L210-L214 WeakPolarHBondContact O-CG 3.4Å; L210-L214 PolarHBondContact O-N 3.4Å |
| 211 | D | 93.6 | Very high | 83.7 | Confident | 124 Ų | 124 | 122.6 Ų | 122.6 | 66% | 0.663 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -57.9 | -38.2 | 177.1 | -57.7 | -24.5 | 0 | 0 | 0 | 112.6 | R209 S215 | R209-D211 VanDerWaalsContact C-N 3.26Å; R209-D211 PolarHBondContact O-N 3.48Å; D211-S215 VanDerWaalsContact O-CB 3.27Å; D211-S215 WeakPolarHBondContact O-CB 3.34Å; D211-S215 PolarHBondContact O-N 2.87Å; D211-S215 PolarHBondContact O-OG 3.45Å |
| 212 | K | 94.1 | Very high | 85.7 | Confident | 138 Ų | 138 | 120.3 Ų | 120.3 | 60% | 0.6 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.5 | -43.2 | 178.7 | -171.8 | 59.8 | 177.3 | 168.7 | 0 | 110.5 | R209 L210 S215 D216 | R209-K212 HydrophobicContact CB-CB 4.44Å; R209-K212 WeakPolarHBondContact O-CA 3.42Å; R209-K212 WeakPolarHBondContact O-CB 3.27Å; R209-K212 PolarHBondContact O-N 3.08Å; L210-K212 PolarHBondContact O-N 2.82Å; K212-S215 PolarHBondContact O-N 2.98Å; K212-S215 PolarHBondContact O-OG 3.27Å; K212-D216 WeakPolarHBondContact O-CB 3.36Å; K212-D216 PolarHBondContact O-N 2.94Å |
| 213 | V | 94.2 | Very high | 87.5 | Confident | 66 Ų | 66 | 117.9 Ų | 117.9 | 40% | 0.4 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.9 | -49.6 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | R209 L210 S215 D216 M217 | R209-V213 PolarHBondContact O-N 3.35Å; L210-V213 PolarHBondContact O-N 3.27Å; L210-V213 VanDerWaalsContact O-N 3.12Å; V213-S215 VanDerWaalsContact C-N 3.32Å; V213-S215 PolarHBondContact O-N 3.09Å; V213-D216 PolarHBondContact O-N 3.31Å; V213-D216 VanDerWaalsContact O-N 3.08Å; V213-M217 HydrophobicContact CG1-CG 4.33Å; V213-M217 WeakPolarHBondContact O-CG 3.48Å; V213-M217 PolarHBondContact O-N 3.44Å |
| 214 | L | 95.6 | Very high | 89.4 | Confident | 95 Ų | 95 | 117 Ų | 117 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.8 | -39.6 | 177.8 | -67.1 | 177.7 | 0 | 0 | 0 | 112 | L210 D216 M217 K218 | L210-L214 HydrophobicContact CD1-CD1 4.19Å; L210-L214 HydrophobicContact CD1-CD2 4.43Å; L210-L214 HydrophobicContact CD1-CG 4.04Å; L210-L214 HydrophobicContact CG-CD1 3.96Å; L210-L214 HydrophobicContact CG-CG 4.24Å; L210-L214 WeakPolarHBondContact O-CG 3.4Å; L210-L214 PolarHBondContact O-N 3.4Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 PolarHBondContact O-N 2.87Å; L214-M217 PolarHBondContact O-N 2.85Å; L214-K218 WeakPolarHBondContact O-CB 3.46Å; L214-K218 PolarHBondContact O-N 3.21Å |
| 215 | S | 94.8 | Very high | 90.8 | Very high | 58 Ų | 58 | 116.2 Ų | 116.2 | 41% | 0.406 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 174.7 | 79.4 | 0 | 0 | 0 | 0 | 112.2 | D211 K212 V213 R219 | D211-S215 VanDerWaalsContact O-CB 3.27Å; D211-S215 WeakPolarHBondContact O-CB 3.34Å; D211-S215 PolarHBondContact O-N 2.87Å; D211-S215 PolarHBondContact O-OG 3.45Å; K212-S215 PolarHBondContact O-N 2.98Å; K212-S215 PolarHBondContact O-OG 3.27Å; V213-S215 VanDerWaalsContact C-N 3.32Å; V213-S215 PolarHBondContact O-N 3.09Å; S215-R219 WeakPolarHBondContact O-CB 3.33Å; S215-R219 PolarHBondContact O-N 3.48Å |
| 216 | D | 94.5 | Very high | 91.8 | Very high | 64 Ų | 64 | 111.9 Ų | 111.9 | 34% | 0.342 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -74.8 | -40.8 | 179.6 | -161.8 | 57.2 | 0 | 0 | 0 | 111.3 | K212 V213 L214 K218 R219 H220 | K212-D216 WeakPolarHBondContact O-CB 3.36Å; K212-D216 PolarHBondContact O-N 2.94Å; V213-D216 PolarHBondContact O-N 3.31Å; V213-D216 VanDerWaalsContact O-N 3.08Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 PolarHBondContact O-N 2.87Å; D216-K218 VanDerWaalsContact C-N 3.3Å; D216-K218 PolarHBondContact O-N 3.34Å; D216-R219 CarbonylContact O-C 3.6Å; D216-R219 WeakPolarHBondContact O-CA 3.32Å; D216-R219 WeakPolarHBondContact O-CB 3.38Å; D216-R219 PolarHBondContact O-N 3.06Å; D216-R219 VanDerWaalsContact O-N 3.09Å; D216-H220 PolarHBondContact O-N 3.27Å; D216-H220 IonicContact OD2-CE1 2.69Å; D216-H220 PolarHBondContact OD2-CE1 2.97Å; D216-H220 VanDerWaalsContact OD2-CE1 3.27Å; D216-H220 IonicContact OD2-ND1 2.8Å |
| 217 | M | 95.3 | Very high | 92.3 | Very high | 103 Ų | 103 | 102 Ų | 102 | 51% | 0.507 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 171.9 | -68 | -146.8 | 81.1 | 0 | 0 | 112 | V213 L214 R219 H220 R221 | V213-M217 HydrophobicContact CG1-CG 4.33Å; V213-M217 WeakPolarHBondContact O-CG 3.48Å; V213-M217 PolarHBondContact O-N 3.44Å; L214-M217 PolarHBondContact O-N 2.85Å; M217-R219 VanDerWaalsContact C-N 3.33Å; M217-H220 PolarHBondContact O-N 3.07Å; M217-R221 PolarHBondContact O-N 2.79Å |
| 218 | K | 95.9 | Very high | 92.8 | Very high | 137 Ų | 137 | 103.7 Ų | 103.7 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.8 | -36.4 | 174.9 | -172.3 | 172.3 | -174.4 | 170.4 | 0 | 111.7 | L214 D216 K222 | L214-K218 WeakPolarHBondContact O-CB 3.46Å; L214-K218 PolarHBondContact O-N 3.21Å; D216-K218 VanDerWaalsContact C-N 3.3Å; D216-K218 PolarHBondContact O-N 3.34Å; K218-K222 WeakPolarHBondContact O-CG 3.49Å; K218-K222 PolarHBondContact O-N 3.46Å |
| 219 | R | 94.8 | Very high | 93.2 | Very high | 115 Ų | 115 | 107.3 Ų | 107.3 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 174.3 | 178.7 | -177.5 | 169.5 | -84.1 | -5.4 | 111 | S215 D216 M217 K222 I223 | S215-R219 WeakPolarHBondContact O-CB 3.33Å; S215-R219 PolarHBondContact O-N 3.48Å; D216-R219 CarbonylContact O-C 3.6Å; D216-R219 WeakPolarHBondContact O-CA 3.32Å; D216-R219 WeakPolarHBondContact O-CB 3.38Å; D216-R219 PolarHBondContact O-N 3.06Å; D216-R219 VanDerWaalsContact O-N 3.09Å; M217-R219 VanDerWaalsContact C-N 3.33Å; R219-K222 PolarHBondContact O-N 2.99Å; R219-I223 HydrophobicContact CG-CD1 3.84Å; R219-I223 WeakPolarHBondContact O-CD1 3.48Å; R219-I223 WeakPolarHBondContact O-CG1 3.47Å; R219-I223 PolarHBondContact O-N 3.25Å; R219-I223 VanDerWaalsContact O-N 3.07Å |
| 220 | H | 94.3 | Very high | 93 | Very high | 81 Ų | 81 | 103.1 Ų | 103.1 | 38% | 0.375 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 177.8 | -76.8 | 149.3 | 0 | 0 | 0 | 112.4 | D216 M217 K222 I223 E224 | D216-H220 PolarHBondContact O-N 3.27Å; D216-H220 IonicContact OD2-CE1 2.69Å; D216-H220 PolarHBondContact OD2-CE1 2.97Å; D216-H220 VanDerWaalsContact OD2-CE1 3.27Å; D216-H220 IonicContact OD2-ND1 2.8Å; M217-H220 PolarHBondContact O-N 3.07Å; H220-K222 VanDerWaalsContact C-N 3.28Å; H220-K222 PolarHBondContact O-N 2.83Å; H220-I223 CarbonylContact O-C 3.57Å; H220-I223 WeakPolarHBondContact O-CA 3.37Å; H220-I223 WeakPolarHBondContact O-CB 3.43Å; H220-I223 PolarHBondContact O-N 2.84Å; H220-E224 WeakPolarHBondContact O-CG 3.47Å; H220-E224 PolarHBondContact O-N 2.72Å |
| 221 | R | 94.6 | Very high | 92.7 | Very high | 167 Ų | 167 | 100.6 Ų | 100.6 | 63% | 0.63 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -54.4 | -42.6 | 173.3 | -92.6 | -173.6 | -97.2 | 177 | -11.4 | 113.1 | M217 I223 E224 E225 | M217-R221 PolarHBondContact O-N 2.79Å; R221-I223 VanDerWaalsContact C-N 3.34Å; R221-E224 PolarHBondContact O-N 2.94Å; R221-E225 WeakPolarHBondContact O-CB 3.16Å; R221-E225 PolarHBondContact O-N 3.49Å |
| 222 | K | 93.8 | Very high | 92.2 | Very high | 133 Ų | 133 | 102.1 Ų | 102.1 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.4 | -36.7 | 176.2 | -72.5 | -179 | 177.3 | -171.2 | 0 | 112.9 | K218 R219 H220 H226 | K218-K222 WeakPolarHBondContact O-CG 3.49Å; K218-K222 PolarHBondContact O-N 3.46Å; R219-K222 PolarHBondContact O-N 2.99Å; H220-K222 VanDerWaalsContact C-N 3.28Å; H220-K222 PolarHBondContact O-N 2.83Å; K222-H226 WeakPolarHBondContact O-CB 3.45Å; K222-H226 PolarHBondContact O-N 3.29Å |
| 223 | I | 91 | Very high | 91.9 | Very high | 32 Ų | 32 | 97.1 Ų | 97.1 | 16% | 0.164 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.6 | -48 | 177.7 | -69.7 | 161.9 | 0 | 0 | 0 | 109.5 | R219 H220 R221 E225 H226 I227 F235 | R219-I223 HydrophobicContact CG-CD1 3.84Å; R219-I223 WeakPolarHBondContact O-CD1 3.48Å; R219-I223 WeakPolarHBondContact O-CG1 3.47Å; R219-I223 PolarHBondContact O-N 3.25Å; R219-I223 VanDerWaalsContact O-N 3.07Å; H220-I223 CarbonylContact O-C 3.57Å; H220-I223 WeakPolarHBondContact O-CA 3.37Å; H220-I223 WeakPolarHBondContact O-CB 3.43Å; H220-I223 PolarHBondContact O-N 2.84Å; R221-I223 VanDerWaalsContact C-N 3.34Å; I223-E225 PolarHBondContact O-N 2.9Å; I223-H226 WeakPolarHBondContact O-CB 3.45Å; I223-H226 PolarHBondContact O-N 3.02Å; I223-H226 VanDerWaalsContact O-N 3.15Å; I223-I227 HydrophobicContact CG2-CD1 3.79Å; I223-I227 HydrophobicContact CG2-CG1 4.44Å; I223-I227 VanDerWaalsContact O-CG1 3.25Å; I223-I227 WeakPolarHBondContact O-CG1 3.25Å; I223-I227 PolarHBondContact O-N 2.8Å; I223-F235 HydrophobicContact CB-CE2 4.24Å; I223-F235 HydrophobicContact CD1-CE2 3.49Å; I223-F235 VanDerWaalsContact CD1-CE2 3.49Å; I223-F235 HydrophobicContact CD1-CZ 3.61Å; I223-F235 HydrophobicContact CG1-CE2 3.76Å; I223-F235 HydrophobicContact CG1-CZ 4.27Å; I223-F235 HydrophobicContact CG2-CD2 3.72Å; I223-F235 HydrophobicContact CG2-CE2 3.45Å; I223-F235 VanDerWaalsContact CG2-CE2 3.45Å |
| 224 | E | 90.7 | Very high | 91.1 | Very high | 111 Ų | 111 | 98.2 Ų | 98.2 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 176.5 | -72.3 | 170.5 | -179.1 | 0 | 0 | 111.6 | H220 R221 H226 I227 L228 | H220-E224 WeakPolarHBondContact O-CG 3.47Å; H220-E224 PolarHBondContact O-N 2.72Å; R221-E224 PolarHBondContact O-N 2.94Å; E224-H226 VanDerWaalsContact C-N 3.29Å; E224-H226 PolarHBondContact O-N 2.91Å; E224-I227 CarbonylContact O-C 3.48Å; E224-I227 WeakPolarHBondContact O-CB 3.39Å; E224-I227 PolarHBondContact O-N 3.49Å; E224-I227 VanDerWaalsContact O-N 3.12Å; E224-L228 WeakPolarHBondContact O-CB 3.26Å; E224-L228 VanDerWaalsContact O-CG 3.3Å; E224-L228 WeakPolarHBondContact O-CG 3.44Å; E224-L228 PolarHBondContact O-N 3.38Å |
| 225 | E | 93 | Very high | 90.1 | Very high | 93 Ų | 93 | 98.3 Ų | 98.3 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 175.8 | -167.4 | -162.6 | 149 | 0 | 0 | 111.7 | R221 I223 L228 R229 | R221-E225 WeakPolarHBondContact O-CB 3.16Å; R221-E225 PolarHBondContact O-N 3.49Å; I223-E225 PolarHBondContact O-N 2.9Å; E225-L228 PolarHBondContact O-N 2.65Å; E225-R229 WeakPolarHBondContact O-CB 3.45Å; E225-R229 PolarHBondContact O-N 3.01Å; E225-R229 IonicContact OE1-CZ 3.24Å; E225-R229 IonicContact OE1-NH1 3.23Å; E225-R229 PolarHBondContact OE1-NH1 2.87Å; E225-R229 IonicContact OE1-NH2 2.65Å; E225-R229 PolarHBondContact OE1-NH2 3.45Å |
| 226 | H | 90.6 | Very high | 89.1 | Confident | 79 Ų | 79 | 102.7 Ų | 102.7 | 37% | 0.366 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 174.6 | -170.7 | 59.6 | 0 | 0 | 0 | 111.8 | K222 I223 E224 R229 T230 | K222-H226 WeakPolarHBondContact O-CB 3.45Å; K222-H226 PolarHBondContact O-N 3.29Å; I223-H226 WeakPolarHBondContact O-CB 3.45Å; I223-H226 PolarHBondContact O-N 3.02Å; I223-H226 VanDerWaalsContact O-N 3.15Å; E224-H226 VanDerWaalsContact C-N 3.29Å; E224-H226 PolarHBondContact O-N 2.91Å; H226-R229 PolarHBondContact O-N 3.15Å; H226-T230 PolarHBondContact CE1-OG1 3.12Å; H226-T230 VanDerWaalsContact CE1-OG1 3.32Å; H226-T230 PolarHBondContact ND1-OG1 2.69Å; H226-T230 WeakPolarHBondContact O-CB 3.19Å; H226-T230 PolarHBondContact O-N 3.46Å; H226-T230 PolarHBondContact O-OG1 2.76Å |
| 227 | I | 90.9 | Very high | 87.7 | Confident | 46 Ų | 46 | 101.5 Ų | 101.5 | 24% | 0.236 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -66 | -43.4 | 174.7 | -66 | 168.1 | 0 | 0 | 0 | 110.7 | I223 E224 R229 G231 D233 | I223-I227 HydrophobicContact CG2-CD1 3.79Å; I223-I227 HydrophobicContact CG2-CG1 4.44Å; I223-I227 VanDerWaalsContact O-CG1 3.25Å; I223-I227 WeakPolarHBondContact O-CG1 3.25Å; I223-I227 PolarHBondContact O-N 2.8Å; E224-I227 CarbonylContact O-C 3.48Å; E224-I227 WeakPolarHBondContact O-CB 3.39Å; E224-I227 PolarHBondContact O-N 3.49Å; E224-I227 VanDerWaalsContact O-N 3.12Å; I227-R229 VanDerWaalsContact C-N 3.34Å; I227-G231 WeakPolarHBondContact O-CA 3.3Å; I227-G231 PolarHBondContact O-N 2.87Å; I227-D233 HydrophobicContact CD1-CB 3.86Å; I227-D233 VanDerWaalsContact CD1-CG 3.48Å; I227-D233 HydrophobicContact CG1-CB 4.06Å; I227-D233 HydrophobicContact CG2-CB 4.4Å |
| 228 | L | 89.4 | Confident | 86 | Confident | 152 Ų | 152 | 102 Ų | 102 | 80% | 0.796 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.2 | -40.6 | 176.8 | -72.3 | 170.7 | 0 | 0 | 0 | 111.3 | E224 E225 | E224-L228 WeakPolarHBondContact O-CB 3.26Å; E224-L228 VanDerWaalsContact O-CG 3.3Å; E224-L228 WeakPolarHBondContact O-CG 3.44Å; E224-L228 PolarHBondContact O-N 3.38Å; E225-L228 PolarHBondContact O-N 2.65Å |
| 229 | R | 91.5 | Very high | 84.3 | Confident | 172 Ų | 172 | 103.4 Ų | 103.4 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -74.2 | -41.4 | -179.9 | -176.2 | -178.2 | -77.1 | 114.2 | -5.4 | 113 | E225 H226 I227 | E225-R229 WeakPolarHBondContact O-CB 3.45Å; E225-R229 PolarHBondContact O-N 3.01Å; E225-R229 IonicContact OE1-CZ 3.24Å; E225-R229 IonicContact OE1-NH1 3.23Å; E225-R229 PolarHBondContact OE1-NH1 2.87Å; E225-R229 IonicContact OE1-NH2 2.65Å; E225-R229 PolarHBondContact OE1-NH2 3.45Å; H226-R229 PolarHBondContact O-N 3.15Å; I227-R229 VanDerWaalsContact C-N 3.34Å |
| 230 | T | 87.9 | Confident | 82.5 | Confident | 76 Ų | 76 | 102.1 Ų | 102.1 | 47% | 0.466 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -103.1 | -11.4 | -171 | -55 | 0 | 0 | 0 | 0 | 112.4 | H226 R232 | H226-T230 PolarHBondContact CE1-OG1 3.12Å; H226-T230 VanDerWaalsContact CE1-OG1 3.32Å; H226-T230 PolarHBondContact ND1-OG1 2.69Å; H226-T230 WeakPolarHBondContact O-CB 3.19Å; H226-T230 PolarHBondContact O-N 3.46Å; H226-T230 PolarHBondContact O-OG1 2.76Å; T230-R232 HydrophobicContact CG2-CB 4.27Å; T230-R232 PolarHBondContact O-N 3.3Å |
| 231 | G | 86.9 | Confident | 80.4 | Confident | 70 Ų | 70 | 102.5 Ų | 102.5 | 72% | 0.722 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 66.6 | 0.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | I227 | I227-G231 WeakPolarHBondContact O-CA 3.3Å; I227-G231 PolarHBondContact O-N 2.87Å |
| 232 | R | 82.8 | Confident | 78.3 | Confident | 156 Ų | 156 | 104.7 Ų | 104.7 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | trans | -118 | 113.3 | -172.1 | -171.4 | 174.5 | 179.2 | 103.1 | -0.7 | 111.1 | T230 L234 | T230-R232 HydrophobicContact CG2-CB 4.27Å; T230-R232 PolarHBondContact O-N 3.3Å; R232-L234 PolarHBondContact O-N 3.22Å | ||
| 233 | D | 87.2 | Confident | 76.3 | Confident | 34 Ų | 34 | 101.6 Ų | 101.6 | 18% | 0.182 | 51% | 0.514 | C | S | . | . | trans | -81.7 | 104.1 | 172.7 | -171.9 | -9.1 | 0 | 0 | 0 | 111.2 | I227 F235 K236 S237 | I227-D233 HydrophobicContact CD1-CB 3.86Å; I227-D233 VanDerWaalsContact CD1-CG 3.48Å; I227-D233 HydrophobicContact CG1-CB 4.06Å; I227-D233 HydrophobicContact CG2-CB 4.4Å; D233-F235 PolarHBondContact O-N 3.49Å; D233-F235 WeakPolarHBondContact OD1-CB 3.46Å; D233-F235 PolarHBondContact OD1-N 3.08Å; D233-K236 HydrophobicContact CB-CB 4.09Å; D233-K236 HydrophobicContact CB-CD 3.96Å; D233-K236 HydrophobicContact CB-CG 4.12Å; D233-K236 PolarHBondContact O-N 2.91Å; D233-K236 PolarHBondContact OD1-N 3.04Å; D233-K236 VanDerWaalsContact OD2-CD 3.23Å; D233-K236 WeakPolarHBondContact OD2-CD 3.48Å; D233-K236 WeakPolarHBondContact OD2-CE 3.46Å; D233-K236 VanDerWaalsContact OD2-CG 3.24Å; D233-K236 WeakPolarHBondContact OD2-CG 3.25Å; D233-K236 IonicContact OD2-NZ 3.94Å; D233-S237 PolarHBondContact O-N 3.32Å | ||
| 234 | L | 76.9 | Confident | 73.7 | Confident | 88 Ų | 88 | 102.5 Ų | 102.5 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.9 | -30.5 | 178.3 | -62.6 | 176.9 | 0 | 0 | 0 | 111.8 | R232 S237 E238 | R232-L234 PolarHBondContact O-N 3.22Å; L234-S237 WeakPolarHBondContact CA-OG 3.14Å; L234-S237 PolarHBondContact O-N 3.42Å; L234-S237 PolarHBondContact O-OG 3.44Å; L234-E238 PolarHBondContact O-N 3.27Å; L234-E238 VanDerWaalsContact O-N 3.08Å |
| 235 | F | 75.9 | Confident | 71.5 | Confident | 97 Ų | 97 | 102.8 Ų | 102.8 | 43% | 0.425 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -75 | -30.7 | 179.1 | -65.3 | -83.9 | 0 | 0 | 0 | 112.7 | I223 D233 K239 | I223-F235 HydrophobicContact CB-CE2 4.24Å; I223-F235 HydrophobicContact CD1-CE2 3.49Å; I223-F235 VanDerWaalsContact CD1-CE2 3.49Å; I223-F235 HydrophobicContact CD1-CZ 3.61Å; I223-F235 HydrophobicContact CG1-CE2 3.76Å; I223-F235 HydrophobicContact CG1-CZ 4.27Å; I223-F235 HydrophobicContact CG2-CD2 3.72Å; I223-F235 HydrophobicContact CG2-CE2 3.45Å; I223-F235 VanDerWaalsContact CG2-CE2 3.45Å; D233-F235 PolarHBondContact O-N 3.49Å; D233-F235 WeakPolarHBondContact OD1-CB 3.46Å; D233-F235 PolarHBondContact OD1-N 3.08Å; F235-K239 PolarHBondContact O-N 3.48Å |
| 236 | K | 74.2 | Confident | 69.3 | Low | 151 Ų | 151 | 107.4 Ų | 107.4 | 66% | 0.657 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -75 | -39.4 | 172 | -71.3 | 175 | -171.8 | 177.8 | 0 | 111.7 | D233 E238 K239 S240 | D233-K236 HydrophobicContact CB-CB 4.09Å; D233-K236 HydrophobicContact CB-CD 3.96Å; D233-K236 HydrophobicContact CB-CG 4.12Å; D233-K236 PolarHBondContact O-N 2.91Å; D233-K236 PolarHBondContact OD1-N 3.04Å; D233-K236 VanDerWaalsContact OD2-CD 3.23Å; D233-K236 WeakPolarHBondContact OD2-CD 3.48Å; D233-K236 WeakPolarHBondContact OD2-CE 3.46Å; D233-K236 VanDerWaalsContact OD2-CG 3.24Å; D233-K236 WeakPolarHBondContact OD2-CG 3.25Å; D233-K236 IonicContact OD2-NZ 3.94Å; K236-E238 PolarHBondContact O-N 2.87Å; K236-K239 PolarHBondContact O-N 3.05Å; K236-S240 WeakPolarHBondContact O-CB 3.23Å; K236-S240 PolarHBondContact O-N 3.39Å |
| 237 | S | 63.6 | Low | 67.3 | Low | 39 Ų | 39 | 110.8 Ų | 110.8 | 27% | 0.273 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.7 | -35.4 | -179.7 | 71 | 0 | 0 | 0 | 0 | 113.2 | D233 L234 S241 | D233-S237 PolarHBondContact O-N 3.32Å; L234-S237 WeakPolarHBondContact CA-OG 3.14Å; L234-S237 PolarHBondContact O-N 3.42Å; L234-S237 PolarHBondContact O-OG 3.44Å; S237-S241 PolarHBondContact O-N 3.04Å; S237-S241 VanDerWaalsContact O-N 3.16Å; S237-S241 PolarHBondContact O-OG 3.19Å |
| 238 | E | 60.3 | Low | 65.4 | Low | 114 Ų | 114 | 113.6 Ų | 113.6 | 53% | 0.533 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -75.4 | -31.4 | 177.5 | -162.2 | 179.6 | 157.9 | 0 | 0 | 112.2 | L234 K236 S241 R242 | L234-E238 PolarHBondContact O-N 3.27Å; L234-E238 VanDerWaalsContact O-N 3.08Å; K236-E238 PolarHBondContact O-N 2.87Å; E238-S241 WeakPolarHBondContact CA-OG 3.24Å; E238-S241 PolarHBondContact O-N 3.35Å; E238-S241 PolarHBondContact O-OG 3.21Å; E238-R242 WeakPolarHBondContact O-CB 3.39Å; E238-R242 PolarHBondContact O-N 2.96Å |
| 239 | K | 60.2 | Low | 63.6 | Low | 166 Ų | 166 | 110.9 Ų | 110.9 | 72% | 0.722 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.3 | -40.1 | 174.5 | -150.1 | 105.8 | 174.9 | -166.1 | 0 | 111.6 | F235 K236 S241 R242 A243 | F235-K239 PolarHBondContact O-N 3.48Å; K236-K239 PolarHBondContact O-N 3.05Å; K239-S241 VanDerWaalsContact C-N 3.27Å; K239-S241 PolarHBondContact O-N 3.44Å; K239-R242 PolarHBondContact O-N 2.58Å; K239-A243 PolarHBondContact O-N 2.94Å |
| 240 | S | 55.8 | Low | 61.9 | Low | 88 Ų | 88 | 106.5 Ų | 106.5 | 62% | 0.615 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.8 | -15.9 | 173.2 | 174 | 0 | 0 | 0 | 0 | 114.2 | K236 A243 | K236-S240 WeakPolarHBondContact O-CB 3.23Å; K236-S240 PolarHBondContact O-N 3.39Å; S240-A243 CarbonylContact C-O 3.31Å; S240-A243 VanDerWaalsContact C-O 3.31Å |
| 241 | S | 52.2 | Low | 60.6 | Low | 89 Ų | 89 | 107.9 Ų | 107.9 | 62% | 0.622 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -93.7 | -12.7 | 172 | 62.3 | 0 | 0 | 0 | 0 | 113.4 | S237 E238 K239 | S237-S241 PolarHBondContact O-N 3.04Å; S237-S241 VanDerWaalsContact O-N 3.16Å; S237-S241 PolarHBondContact O-OG 3.19Å; E238-S241 WeakPolarHBondContact CA-OG 3.24Å; E238-S241 PolarHBondContact O-N 3.35Å; E238-S241 PolarHBondContact O-OG 3.21Å; K239-S241 VanDerWaalsContact C-N 3.27Å; K239-S241 PolarHBondContact O-N 3.44Å |
| 242 | R | 50.1 | Low | 59.2 | Low | 213 Ų | 213 | 110.6 Ų | 110.6 | 80% | 0.804 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -107.3 | -29.4 | -176.5 | -151.1 | 176.1 | -158.7 | 161 | 5.2 | 112.9 | E238 K239 | E238-R242 WeakPolarHBondContact O-CB 3.39Å; E238-R242 PolarHBondContact O-N 2.96Å; K239-R242 PolarHBondContact O-N 2.58Å |
| 243 | A | 51.6 | Low | 58.2 | Low | 67 Ų | 67 | 105.8 Ų | 105.8 | 55% | 0.554 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -78 | 118.9 | 145.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | K239 S240 | K239-A243 PolarHBondContact O-N 2.94Å; S240-A243 CarbonylContact C-O 3.31Å; S240-A243 VanDerWaalsContact C-O 3.31Å |
| 244 | G | 35.5 | Very low | 57 | Low | 52 Ų | 52 | 109.8 Ų | 109.8 | 54% | 0.536 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 163.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | E246 | G244-E246 PolarHBondContact O-N 3.4Å; G244-E246 VanDerWaalsContact O-N 3.14Å |
| 245 | P | 44.2 | Very low | 56.5 | Low | 116 Ų | 116 | 112.8 Ų | 112.8 | 75% | 0.753 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 130.3 | 161.3 | 28.1 | -30.7 | 0 | 0 | 0 | 105.6 | E247 | P245-E247 PolarHBondContact O-N 3.07Š|
| 246 | E | 47.2 | Very low | 56.2 | Low | 190 Ų | 190 | 114.1 Ų | 114.1 | 89% | 0.888 | 63% | 0.625 | S | S | * | * | trans | -45.2 | 100.3 | 162.5 | -78 | -89.1 | 154.7 | 0 | 0 | 105.7 | G244 A248 | G244-E246 PolarHBondContact O-N 3.4Å; G244-E246 VanDerWaalsContact O-N 3.14Å; E246-A248 PolarHBondContact O-N 3.08Å; E246-A248 VanDerWaalsContact O-N 3.11Å | ||
| 247 | E | 48.2 | Very low | 56 | Low | 151 Ų | 151 | 116 Ų | 116 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | trans | -54.5 | 123.6 | 172.4 | -83.6 | -178.7 | 141.2 | 0 | 0 | 104 | P245 L249 | P245-E247 PolarHBondContact O-N 3.07Å; E247-L249 HydrophobicContact CB-CD2 4.22Å; E247-L249 PolarHBondContact O-N 3.37Å | ||
| 248 | A | 52.1 | Low | 56.4 | Low | 105 Ų | 105 | 120.1 Ų | 120.1 | 87% | 0.868 | 64% | 0.643 | S | S | * | * | trans | -57.2 | 89.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | E246 S250 | E246-A248 PolarHBondContact O-N 3.08Å; E246-A248 VanDerWaalsContact O-N 3.11Å; A248-S250 PolarHBondContact O-N 3.26Å | ||
| 249 | L | 50.8 | Low | 57 | Low | 94 Ų | 94 | 120.5 Ų | 120.5 | 49% | 0.492 | 64% | 0.643 | S | S | . | * | trans | -64.6 | 127.4 | -175.8 | -71.7 | 175 | 0 | 0 | 0 | 107.4 | E247 | E247-L249 HydrophobicContact CB-CD2 4.22Å; E247-L249 PolarHBondContact O-N 3.37Å | ||
| 250 | S | 57.2 | Low | 57.3 | Low | 81 Ų | 81 | 117.4 Ų | 117.4 | 57% | 0.566 | 63% | 0.631 | S | S | * | * | trans | -53.1 | 139 | -179.9 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | A248 N252 S253 | A248-S250 PolarHBondContact O-N 3.26Å; S250-N252 PolarHBondContact O-N 2.87Å; S250-S253 PolarHBondContact O-N 3.32Å | ||
| 251 | P | 58.8 | Low | 58.3 | Low | 105 Ų | 105 | 122.5 Ų | 122.5 | 68% | 0.682 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -55.1 | -14.5 | -172.6 | 16.9 | -31.2 | 0 | 0 | 0 | 115.2 | ||
| 252 | N | 58.1 | Low | 59.1 | Low | 126 Ų | 126 | 125 Ų | 125 | 67% | 0.674 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.1 | -31.5 | 175.6 | -155.5 | 28.2 | 0 | 0 | 0 | 113.5 | S250 E256 | S250-N252 PolarHBondContact O-N 2.87Å; N252-E256 PolarHBondContact O-N 3.28Å |
| 253 | S | 61.2 | Low | 60.1 | Low | 55 Ų | 55 | 120.8 Ų | 120.8 | 39% | 0.385 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -77.5 | -32.7 | -177.6 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | S250 E256 R257 | S250-S253 PolarHBondContact O-N 3.32Å; S253-E256 PolarHBondContact O-N 2.8Å; S253-R257 PolarHBondContact O-N 3.37Å; S253-R257 VanDerWaalsContact O-N 3.12Å |
| 254 | Q | 63.5 | Low | 60.9 | Low | 118 Ų | 118 | 122.8 Ų | 122.8 | 55% | 0.551 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.3 | -42.3 | 174.2 | -72.1 | -175.8 | -41.3 | 0 | 0 | 111.6 | E256 R257 E258 | Q254-E256 VanDerWaalsContact C-N 3.32Å; Q254-E256 PolarHBondContact O-N 3.06Å; Q254-R257 PolarHBondContact O-N 3.14Å; Q254-E258 WeakPolarHBondContact O-CG 3.47Å; Q254-E258 PolarHBondContact O-N 3.35Å |
| 255 | K | 66.8 | Low | 62.7 | Low | 152 Ų | 152 | 124.2 Ų | 124.2 | 66% | 0.661 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67 | -32.3 | 179.9 | -166 | 166.2 | -174 | 172.5 | 0 | 113.2 | K259 | K255-K259 WeakPolarHBondContact O-CB 3.34Å; K255-K259 PolarHBondContact O-N 3.43Å |
| 256 | E | 68.4 | Low | 64.2 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 58% | 0.584 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.9 | -42.6 | 175.1 | -165.5 | 169.3 | -158.9 | 0 | 0 | 111.1 | N252 S253 Q254 K259 E260 | N252-E256 PolarHBondContact O-N 3.28Å; S253-E256 PolarHBondContact O-N 2.8Å; Q254-E256 VanDerWaalsContact C-N 3.32Å; Q254-E256 PolarHBondContact O-N 3.06Å; E256-K259 PolarHBondContact O-N 2.73Å; E256-E260 WeakPolarHBondContact O-CG 3.46Å; E256-E260 PolarHBondContact O-N 3.16Å |
| 257 | R | 70.1 | Confident | 65.3 | Low | 189 Ų | 189 | 116.9 Ų | 116.9 | 71% | 0.713 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.9 | -36.7 | 178 | -165.4 | 174.8 | -176.3 | -148.2 | 0.9 | 113.2 | S253 Q254 K259 E260 R261 | S253-R257 PolarHBondContact O-N 3.37Å; S253-R257 VanDerWaalsContact O-N 3.12Å; Q254-R257 PolarHBondContact O-N 3.14Å; R257-K259 VanDerWaalsContact C-N 3.34Å; R257-E260 PolarHBondContact O-N 2.7Å; R257-R261 WeakPolarHBondContact O-CB 3.49Å; R257-R261 PolarHBondContact O-N 3.28Å |
| 258 | E | 72.9 | Confident | 66.3 | Low | 126 Ų | 126 | 111.7 Ų | 111.7 | 59% | 0.589 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.8 | -39.9 | 172.2 | -76.1 | 176.9 | 174.8 | 0 | 0 | 111.4 | Q254 E260 R261 E262 | Q254-E258 WeakPolarHBondContact O-CG 3.47Å; Q254-E258 PolarHBondContact O-N 3.35Å; E258-E260 PolarHBondContact O-N 3.46Å; E258-R261 WeakPolarHBondContact O-CB 3.25Å; E258-R261 PolarHBondContact O-N 2.95Å; E258-E262 WeakPolarHBondContact O-CG 3.39Å; E258-E262 PolarHBondContact O-N 3.12Å |
| 259 | K | 71.9 | Confident | 67.3 | Low | 122 Ų | 122 | 113.2 Ų | 113.2 | 53% | 0.53 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.7 | -31.3 | 177.5 | -163.8 | 172 | -175.6 | 177 | 0 | 113.2 | K255 E256 R257 R263 | K255-K259 WeakPolarHBondContact O-CB 3.34Å; K255-K259 PolarHBondContact O-N 3.43Å; E256-K259 PolarHBondContact O-N 2.73Å; R257-K259 VanDerWaalsContact C-N 3.34Å; K259-R263 WeakPolarHBondContact O-CG 3.38Å; K259-R263 PolarHBondContact O-N 2.84Å |
| 260 | E | 67.5 | Low | 68.3 | Low | 102 Ų | 102 | 113.2 Ų | 113.2 | 48% | 0.477 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.6 | -43.7 | 168.8 | -72.5 | -179.3 | 167.9 | 0 | 0 | 111.2 | E256 R257 E258 E262 R263 D264 | E256-E260 WeakPolarHBondContact O-CG 3.46Å; E256-E260 PolarHBondContact O-N 3.16Å; R257-E260 PolarHBondContact O-N 2.7Å; E258-E260 PolarHBondContact O-N 3.46Å; E260-E262 VanDerWaalsContact C-N 3.31Å; E260-E262 PolarHBondContact O-N 3.41Å; E260-R263 WeakPolarHBondContact O-CB 3.08Å; E260-R263 PolarHBondContact O-N 3.49Å; E260-R263 VanDerWaalsContact O-N 3.08Å; E260-D264 PolarHBondContact O-N 2.91Å; E260-D264 VanDerWaalsContact O-N 3.07Å |
| 261 | R | 75.2 | Confident | 68.9 | Low | 195 Ų | 195 | 114.8 Ų | 114.8 | 74% | 0.736 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.7 | -39 | 176.7 | -157.4 | 171.9 | -171.6 | -169.9 | 0.6 | 112 | R257 E258 D264 S265 | R257-R261 WeakPolarHBondContact O-CB 3.49Å; R257-R261 PolarHBondContact O-N 3.28Å; E258-R261 WeakPolarHBondContact O-CB 3.25Å; E258-R261 PolarHBondContact O-N 2.95Å; R261-D264 PolarHBondContact O-N 3.11Å; R261-S265 VanDerWaalsContact O-CB 3.25Å; R261-S265 WeakPolarHBondContact O-CB 3.19Å; R261-S265 PolarHBondContact O-N 3.22Å; R261-S265 PolarHBondContact O-OG 2.67Å |
| 262 | E | 70.4 | Confident | 69.6 | Low | 142 Ų | 142 | 112.5 Ų | 112.5 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.8 | -30 | 174.3 | -75.3 | 179.8 | 178.1 | 0 | 0 | 113.4 | E258 E260 | E258-E262 WeakPolarHBondContact O-CG 3.39Å; E258-E262 PolarHBondContact O-N 3.12Å; E260-E262 VanDerWaalsContact C-N 3.31Å; E260-E262 PolarHBondContact O-N 3.41Å |
| 263 | R | 69.6 | Low | 70.5 | Confident | 124 Ų | 124 | 111.6 Ų | 111.6 | 47% | 0.468 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.1 | -37.9 | 174.4 | -75.8 | -173.9 | -162.7 | 105.8 | -9.6 | 112.1 | K259 E260 | K259-R263 WeakPolarHBondContact O-CG 3.38Å; K259-R263 PolarHBondContact O-N 2.84Å; E260-R263 WeakPolarHBondContact O-CB 3.08Å; E260-R263 PolarHBondContact O-N 3.49Å; E260-R263 VanDerWaalsContact O-N 3.08Å |
| 264 | D | 68.4 | Low | 71.1 | Confident | 109 Ų | 109 | 119.5 Ų | 119.5 | 58% | 0.583 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -94.7 | -7.5 | -175.3 | -66.8 | -13.2 | 0 | 0 | 0 | 113.4 | E260 R261 D266 I270 | E260-D264 PolarHBondContact O-N 2.91Å; E260-D264 VanDerWaalsContact O-N 3.07Å; R261-D264 PolarHBondContact O-N 3.11Å; D264-D266 VanDerWaalsContact C-N 3.31Å; D264-I270 WeakPolarHBondContact O-CD1 3.39Å; D264-I270 WeakPolarHBondContact O-CG1 3.41Å |
| 265 | S | 73.8 | Confident | 71.5 | Confident | 82 Ų | 82 | 119.3 Ų | 119.3 | 57% | 0.573 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -75.2 | -21.3 | 175.7 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | R261 P267 | R261-S265 VanDerWaalsContact O-CB 3.25Å; R261-S265 WeakPolarHBondContact O-CB 3.19Å; R261-S265 PolarHBondContact O-N 3.22Å; R261-S265 PolarHBondContact O-OG 2.67Å; S265-P267 VanDerWaalsContact O-CD 3.25Å; S265-P267 WeakPolarHBondContact O-CD 3.48Å |
| 266 | D | 76.1 | Confident | 71.7 | Confident | 63 Ų | 63 | 118.9 Ų | 118.9 | 34% | 0.337 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -86.1 | 107.9 | 176.3 | -171.6 | -13.4 | 0 | 0 | 0 | 109.2 | D264 S268 K269 | D264-D266 VanDerWaalsContact C-N 3.31Å; D266-S268 PolarHBondContact O-N 3.5Å; D266-S268 VanDerWaalsContact OD1-CB 3.26Å; D266-S268 WeakPolarHBondContact OD1-CB 3.44Å; D266-S268 PolarHBondContact OD1-N 2.81Å; D266-S268 PolarHBondContact OD1-OG 2.92Å; D266-S268 PolarHBondContact OD2-OG 3.4Å; D266-K269 HydrophobicContact CB-CD 4.3Å; D266-K269 HydrophobicContact CB-CG 4.4Å; D266-K269 PolarHBondContact O-N 3.42Å |
| 267 | P | 70.2 | Confident | 72 | Confident | 88 Ų | 88 | 123.6 Ų | 123.6 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.3 | -11.2 | -178.2 | 29 | -36.3 | 0 | 0 | 0 | 112.5 | S265 I270 | S265-P267 VanDerWaalsContact O-CD 3.25Å; S265-P267 WeakPolarHBondContact O-CD 3.48Å; P267-I270 HydrophobicContact CB-CD1 4.42Å |
| 268 | S | 68.9 | Low | 71.5 | Confident | 43 Ų | 43 | 127.7 Ų | 127.7 | 30% | 0.301 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -77.5 | -15 | 172.5 | 77.5 | 0 | 0 | 0 | 0 | 115.9 | D266 R276 | D266-S268 PolarHBondContact O-N 3.5Å; D266-S268 VanDerWaalsContact OD1-CB 3.26Å; D266-S268 WeakPolarHBondContact OD1-CB 3.44Å; D266-S268 PolarHBondContact OD1-N 2.81Å; D266-S268 PolarHBondContact OD1-OG 2.92Å; D266-S268 PolarHBondContact OD2-OG 3.4Å; S268-R276 VanDerWaalsContact CA-CZ 3.46Å |
| 269 | K | 73 | Confident | 71.4 | Confident | 136 Ų | 136 | 127.8 Ų | 127.8 | 59% | 0.591 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -101.4 | -23 | 176.3 | -67.3 | 178.5 | -174 | 167.5 | 0 | 113.4 | D266 F271 | D266-K269 HydrophobicContact CB-CD 4.3Å; D266-K269 HydrophobicContact CB-CG 4.4Å; D266-K269 PolarHBondContact O-N 3.42Å; K269-F271 VanDerWaalsContact C-N 3.34Å; K269-F271 PolarHBondContact O-N 3.19Å |
| 270 | I | 72.6 | Confident | 71.4 | Confident | 95 Ų | 95 | 128.1 Ų | 128.1 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.8 | -36.9 | -179.4 | -53.9 | 173.8 | 0 | 0 | 0 | 111.4 | D264 P267 | D264-I270 WeakPolarHBondContact O-CD1 3.39Å; D264-I270 WeakPolarHBondContact O-CG1 3.41Å; P267-I270 HydrophobicContact CB-CD1 4.42Å |
| 271 | F | 70.4 | Confident | 71.6 | Confident | 114 Ų | 114 | 129.6 Ų | 129.6 | 50% | 0.5 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -109.2 | 128.9 | 176.1 | -71.6 | -81 | 0 | 0 | 0 | 111 | K269 Q275 R276 | K269-F271 VanDerWaalsContact C-N 3.34Å; K269-F271 PolarHBondContact O-N 3.19Å; F271-Q275 HydrophobicContact CB-CB 4.31Å; F271-Q275 HydrophobicContact CD1-CB 4.19Å; F271-R276 HydrophobicContact CB-CG 4.13Å |
| 272 | S | 73.3 | Confident | 71.4 | Confident | 57 Ų | 57 | 125.7 Ų | 125.7 | 40% | 0.399 | 59% | 0.588 | S | S | . | * | trans | -59.4 | 148.4 | 175.6 | 66.7 | 0 | 0 | 0 | 0 | 110.4 | R274 Q275 | S272-R274 PolarHBondContact O-N 3.29Å; S272-Q275 WeakPolarHBondContact O-CB 3.35Å; S272-Q275 PolarHBondContact O-N 3.05Å; S272-Q275 PolarHBondContact OG-OE1 3.16Å | ||
| 273 | P | 75.9 | Confident | 71.4 | Confident | 107 Ų | 107 | 124.7 Ų | 124.7 | 70% | 0.695 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -23.3 | -176.5 | -29 | 35.2 | 0 | 0 | 0 | 114.8 | ||
| 274 | R | 73.3 | Confident | 71.6 | Confident | 220 Ų | 220 | 124.7 Ų | 124.7 | 83% | 0.83 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -25.8 | 179 | -156.7 | 167 | 172.6 | -162.4 | -2.9 | 113.2 | S272 R276 | S272-R274 PolarHBondContact O-N 3.29Å; R274-R276 VanDerWaalsContact C-N 3.34Å |
| 275 | Q | 73.2 | Confident | 71.8 | Confident | 115 Ų | 115 | 125.9 Ų | 125.9 | 54% | 0.537 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -82.4 | -13 | 174.3 | -70.4 | 166.3 | -48.3 | 0 | 0 | 112.6 | F271 S272 | F271-Q275 HydrophobicContact CB-CB 4.31Å; F271-Q275 HydrophobicContact CD1-CB 4.19Å; S272-Q275 WeakPolarHBondContact O-CB 3.35Å; S272-Q275 PolarHBondContact O-N 3.05Å; S272-Q275 PolarHBondContact OG-OE1 3.16Å |
| 276 | R | 70.9 | Confident | 71.6 | Confident | 142 Ų | 142 | 129.2 Ų | 129.2 | 54% | 0.536 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -88.1 | 0.5 | -178.7 | -56.5 | 176.8 | 106.6 | -153.2 | -5.9 | 114.1 | S268 F271 R274 | S268-R276 VanDerWaalsContact CA-CZ 3.46Å; F271-R276 HydrophobicContact CB-CG 4.13Å; R274-R276 VanDerWaalsContact C-N 3.34Å |
| 277 | R | 73.6 | Confident | 71.3 | Confident | 224 Ų | 224 | 134.8 Ų | 134.8 | 85% | 0.845 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -101.9 | 8.9 | -174.4 | -79.7 | -165 | 179.6 | -149.6 | 0.8 | 114.8 | ||
| 278 | Y | 59.9 | Low | 71.4 | Confident | 276 Ų | 276 | 139 Ų | 139 | 100% | 1.082 | 62% | 0.619 | S | S | * | * | trans | -114.3 | 0 | 175.6 | -68.6 | -79 | 0 | 0 | 0 | 110.3 |
Retrieved 278 of 278 residues in 138.6 ms
(Link to these results)