| 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 | 33.5 | Very low | 30.5 | Very low | 230 Ų | 230 | 149.8 Ų | 149.8 | 100% | 1.133 | 83% | 0.826 | S | S | * | * | 0 | 147.3 | 0 | -58 | 172.1 | -167.8 | 0 | 0 | 106.9 | |||||
| 2 | M | 33.8 | Very low | 30.2 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 89% | 0.892 | 83% | 0.829 | S | S | * | * | trans | 57.5 | 121.1 | 171.7 | -64.8 | 150.2 | 176.8 | 0 | 0 | 115.7 | ||||
| 3 | Q | 28.8 | Very low | 29.8 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | cis | 84.3 | 148.1 | 29.9 | -158.8 | 169.9 | -11.8 | 0 | 0 | 114.1 | ||||
| 4 | E | 33.4 | Very low | 29.7 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | trans | 83.3 | 124.6 | 178.3 | -47.9 | -165.1 | 126.6 | 0 | 0 | 114.7 | ||||
| 5 | S | 33.1 | Very low | 29.5 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | cis | 98.3 | 94.7 | 9.7 | -51.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 6 | A | 30.2 | Very low | 29.4 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -167.2 | 136.9 | 139.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 7 | T | 30.8 | Very low | 29.5 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | cis | 78 | 137.7 | 26.1 | 71.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 8 | E | 29.7 | Very low | 29.4 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | 77.8 | 145.6 | 171.4 | -51.4 | -156.3 | 106.8 | 0 | 0 | 116.9 | ||||
| 9 | T | 30.1 | Very low | 29.3 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | cis | -150.6 | 158.7 | -13.5 | 9.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 10 | I | 27.3 | Very low | 29.2 | Very low | 150 Ų | 150 | 143 Ų | 143 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -10.5 | 132.7 | 154.4 | -58.6 | 158.6 | 0 | 0 | 0 | 117.7 | ||||
| 11 | S | 24.7 | Very low | 29.2 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | -168.6 | 129.1 | 128.2 | -85.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 12 | N | 26.6 | Very low | 28.9 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -91.6 | 143.9 | 162.7 | -100.5 | -12.8 | 0 | 0 | 0 | 109.3 | ||||
| 13 | S | 25.4 | Very low | 28.6 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -167.7 | 143.8 | 138.2 | -85 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 14 | S | 27.9 | Very low | 28.5 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -102.1 | -171.5 | 176 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 15 | M | 27.7 | Very low | 28.2 | Very low | 172 Ų | 172 | 128.4 Ų | 128.4 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | trans | 85.7 | 147.6 | 173.5 | -57.8 | -175 | 64.7 | 0 | 0 | 115.8 | ||||
| 16 | S | 28.1 | Very low | 28 | Very low | 82 Ų | 82 | 128 Ų | 128 | 57% | 0.573 | 78% | 0.779 | S | S | * | * | cis | -169.6 | 157.6 | -18.7 | -101.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 17 | Q | 30.3 | Very low | 28.1 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | 67.3 | 123.8 | 146.6 | -74.2 | 177.8 | 47.8 | 0 | 0 | 122 | ||||
| 18 | N | 28.1 | Very low | 28.2 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | 66.5 | 116.4 | 126.6 | -55.4 | -12.2 | 0 | 0 | 0 | 121.6 | |||||
| 19 | G | 27.6 | Very low | 28.1 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -141.5 | 141.3 | 148.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 20 | M | 27.5 | Very low | 28.2 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -141.4 | 155 | -170.8 | -172.3 | -179.7 | 72.8 | 0 | 0 | 112.1 | ||||
| 21 | S | 28.9 | Very low | 28.2 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | 86.4 | 151 | 172.5 | -28.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 22 | T | 27.6 | Very low | 28.5 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | cis | -142.5 | 137.4 | 16.3 | 46.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 23 | L | 27.4 | Very low | 28.9 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | 47 | 119.4 | 129.5 | -54.8 | 171 | 0 | 0 | 0 | 122.6 | |||||
| 24 | S | 26.5 | Very low | 29 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | 174.2 | 160.8 | 123.2 | -76.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 25 | S | 27 | Very low | 29.3 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | -177.5 | 91.6 | -60.5 | -94.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 26 | S | 29.6 | Very low | 29.4 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -166.8 | 117.9 | 163 | 45 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 27 | Q | 31.6 | Very low | 29.7 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | 60.6 | 129.3 | 57.8 | -64.4 | -158.1 | -55.6 | 0 | 0 | 113.3 | |||||
| 28 | L | 33.3 | Very low | 29.6 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | cis | -152.4 | 179.7 | -7.9 | -101.1 | 176.8 | 0 | 0 | 0 | 107.2 | ||||
| 29 | E | 27.9 | Very low | 29.9 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | cis | -137.9 | -144.2 | 15.3 | -140.4 | -56.8 | 100.1 | 0 | 0 | 110.8 | ||||
| 30 | A | 31.1 | Very low | 30 | Very low | 83 Ų | 83 | 130 Ų | 130 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | trans | -149.8 | -173.4 | -162.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 31 | G | 27.5 | Very low | 30.1 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 144.8 | 122 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 32 | S | 30.4 | Very low | 30.7 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | cis | -178 | 128.4 | -47.1 | 169.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 33 | R | 34.7 | Very low | 30.9 | Very low | 226 Ų | 226 | 131.1 Ų | 131.1 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | 67.7 | 163.1 | 161.7 | -67.6 | 167.5 | -163.5 | -173 | 2.1 | 116.7 | ||||
| 34 | D | 29.3 | Very low | 31.4 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | cis | -121.3 | 172.5 | 8.2 | -92 | -58.8 | 0 | 0 | 0 | 113.6 | ||||
| 35 | G | 33.7 | Very low | 32 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | -151.8 | 150.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 36 | R | 30.5 | Very low | 33 | Very low | 256 Ų | 256 | 131.6 Ų | 131.6 | 97% | 0.966 | 79% | 0.789 | S | S | * | * | trans | -157.6 | 143.8 | 175 | -138.2 | 172.8 | 174.6 | -146.2 | -4.6 | 111.5 | ||||
| 37 | S | 34 | Very low | 33.9 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -109.7 | 154.8 | -166.4 | -37.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 38 | S | 27.3 | Very low | 34.9 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | 175.7 | 132.3 | 121.6 | -167 | 0 | 0 | 0 | 0 | 114 | |||||
| 39 | A | 35.6 | Very low | 36 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | trans | 21.8 | 131 | 154.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 40 | G | 28.8 | Very low | 37.2 | Very low | 76 Ų | 76 | 122 Ų | 122 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | trans | -176.4 | 113.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 41 | D | 29 | Very low | 38.7 | Very low | 168 Ų | 168 | 123.5 Ų | 123.5 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | trans | 23.3 | 129.1 | 171.5 | -66.4 | -31.7 | 0 | 0 | 0 | 123 | ||||
| 42 | T | 42 | Very low | 40.3 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 87% | 0.865 | 74% | 0.737 | S | S | * | * | trans | -89.8 | 112.6 | 164.7 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 43 | S | 31.3 | Very low | 42 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | trans | -133.6 | 84.4 | 166.5 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | E45 | S43-E45 PolarHBondContact O-N 2.93Å; S43-E45 VanDerWaalsContact O-N 3.07Å | ||
| 44 | S | 39 | Very low | 43.9 | Very low | 109 Ų | 109 | 121 Ų | 121 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | -73.8 | 95.4 | -179.6 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | V46 | S44-V46 PolarHBondContact O-N 3.11Š| ||
| 45 | E | 38.1 | Very low | 45.9 | Very low | 183 Ų | 183 | 119.1 Ų | 119.1 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | trans | -68.9 | 90.3 | 171.7 | -63.9 | -163.6 | 128.2 | 0 | 0 | 110.5 | S43 S47 | S43-E45 PolarHBondContact O-N 2.93Å; S43-E45 VanDerWaalsContact O-N 3.07Å; E45-S47 PolarHBondContact O-N 3.24Å | ||
| 46 | V | 47.4 | Very low | 47.8 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 61% | 0.612 | 70% | 0.697 | S | S | * | * | trans | -57.3 | 121.3 | 175.4 | 176.1 | 0 | 0 | 0 | 0 | 109.4 | S44 E50 | S44-V46 PolarHBondContact O-N 3.11Å; V46-E50 HydrophobicContact CG1-CB 4.36Å | ||
| 47 | S | 49.9 | Very low | 50 | Low | 55 Ų | 55 | 115.2 Ų | 115.2 | 39% | 0.385 | 68% | 0.677 | S | S | . | * | trans | -68.7 | 141.1 | -172.6 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | E45 V49 E50 L51 | E45-S47 PolarHBondContact O-N 3.24Å; S47-V49 PolarHBondContact O-N 3.16Å; S47-V49 PolarHBondContact OG-N 2.9Å; S47-E50 PolarHBondContact N-OE2 2.89Å; S47-E50 VanDerWaalsContact N-OE2 3.17Å; S47-E50 WeakPolarHBondContact O-CB 3.36Å; S47-E50 PolarHBondContact O-N 3.16Å; S47-L51 PolarHBondContact O-N 2.79Å | ||
| 48 | T | 52.3 | Low | 52 | Low | 118 Ų | 118 | 115.1 Ų | 115.1 | 72% | 0.724 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -58.5 | -22.8 | 175.7 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | L52 | T48-L52 WeakPolarHBondContact O-CB 3.45Å; T48-L52 PolarHBondContact O-N 2.99Å; T48-L52 VanDerWaalsContact O-N 3.09Å |
| 49 | V | 55.6 | Low | 53.8 | Low | 82 Ų | 82 | 112.3 Ų | 112.3 | 50% | 0.497 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -71.7 | -34.5 | 174.1 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | S47 H53 | S47-V49 PolarHBondContact O-N 3.16Å; S47-V49 PolarHBondContact OG-N 2.9Å; V49-H53 PolarHBondContact O-N 3.16Å; V49-H53 PolarHBondContact O-ND1 3.08Å |
| 50 | E | 53.5 | Low | 55.7 | Low | 116 Ų | 116 | 113 Ų | 113 | 54% | 0.542 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -73 | -42.2 | 175.5 | -65.4 | 179.4 | 115.1 | 0 | 0 | 110.7 | V46 S47 L52 H53 L54 | V46-E50 HydrophobicContact CG1-CB 4.36Å; S47-E50 PolarHBondContact N-OE2 2.89Å; S47-E50 VanDerWaalsContact N-OE2 3.17Å; S47-E50 WeakPolarHBondContact O-CB 3.36Å; S47-E50 PolarHBondContact O-N 3.16Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 3.2Å; E50-H53 PolarHBondContact O-N 3.48Å; E50-H53 VanDerWaalsContact O-N 3.17Å; E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 PolarHBondContact O-N 3.29Å |
| 51 | L | 62.3 | Low | 57.6 | Low | 116 Ų | 116 | 114.9 Ų | 114.9 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.2 | -37 | 174.8 | -167.1 | 69.1 | 0 | 0 | 0 | 111.5 | S47 Q55 | S47-L51 PolarHBondContact O-N 2.79Å; L51-Q55 VanDerWaalsContact O-CB 3.28Å; L51-Q55 WeakPolarHBondContact O-CB 3.4Å; L51-Q55 PolarHBondContact O-N 3.23Å |
| 52 | L | 61.9 | Low | 59.3 | Low | 119 Ų | 119 | 109.3 Ų | 109.3 | 62% | 0.623 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.1 | -43.8 | 173.5 | -167.3 | 77.6 | 0 | 0 | 0 | 112.2 | T48 E50 Q55 Q56 | T48-L52 WeakPolarHBondContact O-CB 3.45Å; T48-L52 PolarHBondContact O-N 2.99Å; T48-L52 VanDerWaalsContact O-N 3.09Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 3.2Å; L52-Q55 PolarHBondContact O-N 2.75Å; L52-Q56 WeakPolarHBondContact O-CB 3.26Å; L52-Q56 PolarHBondContact O-N 3.43Å |
| 53 | H | 65.2 | Low | 60.1 | Low | 119 Ų | 119 | 105 Ų | 105 | 55% | 0.551 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.4 | -43.6 | 175.7 | -84.9 | 87.5 | 0 | 0 | 0 | 112 | V49 E50 Q56 Q57 | V49-H53 PolarHBondContact O-N 3.16Å; V49-H53 PolarHBondContact O-ND1 3.08Å; E50-H53 PolarHBondContact O-N 3.48Å; E50-H53 VanDerWaalsContact O-N 3.17Å; H53-Q56 PolarHBondContact O-N 2.93Å; H53-Q57 WeakPolarHBondContact O-CB 3.46Å; H53-Q57 PolarHBondContact O-N 2.65Å |
| 54 | L | 74.6 | Confident | 61.6 | Low | 104 Ų | 104 | 109.6 Ų | 109.6 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.7 | -44 | 177.1 | -172.4 | 63.8 | 0 | 0 | 0 | 111 | E50 Q56 Q57 Q58 | E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 PolarHBondContact O-N 3.29Å; L54-Q56 VanDerWaalsContact C-N 3.31Å; L54-Q56 PolarHBondContact O-N 3.03Å; L54-Q57 PolarHBondContact O-N 3.02Å; L54-Q58 WeakPolarHBondContact O-CB 3.1Å; L54-Q58 PolarHBondContact O-N 3.38Å |
| 55 | Q | 71.8 | Confident | 62.9 | Low | 122 Ų | 122 | 110.7 Ų | 110.7 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.6 | -40.1 | 175 | -177.9 | 68.7 | 100.4 | 0 | 0 | 112.2 | L51 L52 A59 | L51-Q55 VanDerWaalsContact O-CB 3.28Å; L51-Q55 WeakPolarHBondContact O-CB 3.4Å; L51-Q55 PolarHBondContact O-N 3.23Å; L52-Q55 PolarHBondContact O-N 2.75Å; Q55-A59 PolarHBondContact O-N 3.41Å |
| 56 | Q | 73.9 | Confident | 63.9 | Low | 129 Ų | 129 | 108.5 Ų | 108.5 | 60% | 0.603 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -74.7 | -37.5 | 178.7 | -176.5 | 156.1 | 90.5 | 0 | 0 | 112.7 | L52 H53 L54 A59 L60 | L52-Q56 WeakPolarHBondContact O-CB 3.26Å; L52-Q56 PolarHBondContact O-N 3.43Å; H53-Q56 PolarHBondContact O-N 2.93Å; L54-Q56 VanDerWaalsContact C-N 3.31Å; L54-Q56 PolarHBondContact O-N 3.03Å; Q56-A59 PolarHBondContact O-N 2.72Å; Q56-L60 PolarHBondContact O-N 2.82Å; Q56-L60 VanDerWaalsContact O-N 3.07Å |
| 57 | Q | 75.9 | Confident | 64.1 | Low | 116 Ų | 116 | 110.6 Ų | 110.6 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.6 | -40.1 | 175.4 | -170.1 | 173.9 | 52.6 | 0 | 0 | 111.5 | H53 L54 A59 L60 Q61 | H53-Q57 WeakPolarHBondContact O-CB 3.46Å; H53-Q57 PolarHBondContact O-N 2.65Å; L54-Q57 PolarHBondContact O-N 3.02Å; Q57-A59 VanDerWaalsContact C-N 3.35Å; Q57-A59 PolarHBondContact O-N 2.91Å; Q57-L60 PolarHBondContact O-N 3.13Å; Q57-Q61 WeakPolarHBondContact O-CG 3.41Å; Q57-Q61 PolarHBondContact O-N 3.14Å |
| 58 | Q | 76 | Confident | 64.2 | Low | 120 Ų | 120 | 114.8 Ų | 114.8 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.2 | -38.3 | 175 | -163.7 | 175.6 | 42.4 | 0 | 0 | 111.8 | L54 Q61 A62 | L54-Q58 WeakPolarHBondContact O-CB 3.1Å; L54-Q58 PolarHBondContact O-N 3.38Å; Q58-Q61 PolarHBondContact O-N 3.5Å; Q58-A62 PolarHBondContact O-N 3.25Å |
| 59 | A | 65.4 | Low | 64 | Low | 59 Ų | 59 | 116.8 Ų | 116.8 | 49% | 0.488 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.3 | -40.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q55 Q56 Q57 A62 A63 | Q55-A59 PolarHBondContact O-N 3.41Å; Q56-A59 PolarHBondContact O-N 2.72Å; Q57-A59 VanDerWaalsContact C-N 3.35Å; Q57-A59 PolarHBondContact O-N 2.91Å; A59-A62 PolarHBondContact O-N 2.89Å; A59-A63 PolarHBondContact O-N 2.87Å |
| 60 | L | 75.3 | Confident | 63.3 | Low | 118 Ų | 118 | 120.7 Ų | 120.7 | 62% | 0.618 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.6 | -36.9 | 174.5 | -89.1 | 162 | 0 | 0 | 0 | 112.8 | Q56 Q57 A63 R64 | Q56-L60 PolarHBondContact O-N 2.82Å; Q56-L60 VanDerWaalsContact O-N 3.07Å; Q57-L60 PolarHBondContact O-N 3.13Å; L60-A63 PolarHBondContact O-N 3.24Å; L60-R64 PolarHBondContact O-N 3.35Å; L60-R64 VanDerWaalsContact O-N 3.11Å |
| 61 | Q | 69.1 | Low | 62.7 | Low | 115 Ų | 115 | 120.7 Ų | 120.7 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69 | -34.9 | 174.2 | -73 | 179.8 | -9.8 | 0 | 0 | 112.8 | Q57 Q58 R64 Q65 | Q57-Q61 WeakPolarHBondContact O-CG 3.41Å; Q57-Q61 PolarHBondContact O-N 3.14Å; Q58-Q61 PolarHBondContact O-N 3.5Å; Q61-R64 PolarHBondContact O-N 3.12Å; Q61-Q65 PolarHBondContact O-N 2.59Å; Q61-Q65 PolarHBondContact O-NE2 2.89Å |
| 62 | A | 65.7 | Low | 61.9 | Low | 50 Ų | 50 | 119.1 Ų | 119.1 | 41% | 0.413 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67 | -43.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q58 A59 R64 Q65 L66 | Q58-A62 PolarHBondContact O-N 3.25Å; A59-A62 PolarHBondContact O-N 2.89Å; A62-R64 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 3.23Å; A62-Q65 PolarHBondContact O-N 3.18Å; A62-L66 PolarHBondContact O-N 3.07Å |
| 63 | A | 57.2 | Low | 60.5 | Low | 52 Ų | 52 | 119.1 Ų | 119.1 | 43% | 0.43 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -60.5 | -37.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A59 L60 L66 L67 | A59-A63 PolarHBondContact O-N 2.87Å; L60-A63 PolarHBondContact O-N 3.24Å; A63-L66 PolarHBondContact O-N 3.44Å; A63-L67 PolarHBondContact O-N 2.81Å |
| 64 | R | 63.9 | Low | 59.2 | Low | 198 Ų | 198 | 117 Ų | 117 | 75% | 0.747 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.9 | -36.5 | 176.1 | -116.6 | 176.8 | 178.1 | 162.5 | -0.5 | 113.4 | L60 Q61 A62 L67 L68 | L60-R64 PolarHBondContact O-N 3.35Å; L60-R64 VanDerWaalsContact O-N 3.11Å; Q61-R64 PolarHBondContact O-N 3.12Å; A62-R64 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 3.23Å; R64-L67 PolarHBondContact O-N 3.06Å; R64-L68 PolarHBondContact O-N 3.5Å |
| 65 | Q | 66.3 | Low | 57.2 | Low | 132 Ų | 132 | 119.4 Ų | 119.4 | 62% | 0.617 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.6 | -40.7 | 177.3 | -76 | 168.6 | 85.3 | 0 | 0 | 112.1 | Q61 A62 L67 L68 | Q61-Q65 PolarHBondContact O-N 2.59Å; Q61-Q65 PolarHBondContact O-NE2 2.89Å; A62-Q65 PolarHBondContact O-N 3.18Å; Q65-L67 PolarHBondContact O-N 3.46Å; Q65-L68 PolarHBondContact O-N 3.14Å; Q65-L68 VanDerWaalsContact O-N 3.1Å |
| 66 | L | 59.5 | Low | 55.3 | Low | 137 Ų | 137 | 122.9 Ų | 122.9 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -59.5 | -35.1 | 174.8 | -80.6 | 162.1 | 0 | 0 | 0 | 112.8 | A62 A63 L68 Q69 | A62-L66 PolarHBondContact O-N 3.07Å; A63-L66 PolarHBondContact O-N 3.44Å; L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 PolarHBondContact O-N 3.15Å; L66-Q69 PolarHBondContact O-N 2.78Å |
| 67 | L | 51.9 | Low | 53.1 | Low | 145 Ų | 145 | 122.3 Ų | 122.3 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73.1 | -19.1 | 177.9 | -119.4 | 160.2 | 0 | 0 | 0 | 113.8 | A63 R64 Q65 | A63-L67 PolarHBondContact O-N 2.81Å; R64-L67 PolarHBondContact O-N 3.06Å; Q65-L67 PolarHBondContact O-N 3.46Å |
| 68 | L | 51.5 | Low | 50.9 | Low | 144 Ų | 144 | 122.3 Ų | 122.3 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -3.3 | 178 | -73.9 | 165 | 0 | 0 | 0 | 113.6 | R64 Q65 L66 | R64-L68 PolarHBondContact O-N 3.5Å; Q65-L68 PolarHBondContact O-N 3.14Å; Q65-L68 VanDerWaalsContact O-N 3.1Å; L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 PolarHBondContact O-N 3.15Å |
| 69 | Q | 46.9 | Very low | 48.5 | Very low | 159 Ų | 159 | 126.6 Ų | 126.6 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | trans | -93.5 | -0.8 | -175.7 | -148.8 | 83.2 | 103.1 | 0 | 0 | 114.3 | L66 P71 | L66-Q69 PolarHBondContact O-N 2.78Å; Q69-P71 WeakPolarHBondContact O-CD 3.44Å | ||
| 70 | Q | 41.7 | Very low | 46.7 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 117.2 | 178.3 | -74.7 | -75.2 | 86.2 | 0 | 0 | 111.2 | G72 | Q70-G72 PolarHBondContact O-N 2.9Š|
| 71 | P | 41.2 | Very low | 44.4 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 120.6 | 178.5 | -13.6 | 30 | 0 | 0 | 0 | 111.1 | Q69 | Q69-P71 WeakPolarHBondContact O-CD 3.44Š|
| 72 | G | 44.9 | Very low | 42.4 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 118.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q70 | Q70-G72 PolarHBondContact O-N 2.9Š|
| 73 | S | 33 | Very low | 40.6 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -143.3 | 101.8 | 168.9 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 74 | G | 38.1 | Very low | 39.2 | Very low | 76 Ų | 76 | 143.9 Ų | 143.9 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | -94.1 | 139.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 75 | L | 31.9 | Very low | 37.5 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -136.2 | 109.5 | 168.6 | -74.3 | 178.6 | 0 | 0 | 0 | 112.1 | ||||
| 76 | K | 31 | Very low | 36.1 | Very low | 194 Ų | 194 | 144.2 Ų | 144.2 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 39.2 | 117 | 131.4 | -56.6 | 177.7 | -176.5 | 179.9 | 0 | 118.4 | ||||
| 77 | S | 29.2 | Very low | 34.6 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 143.8 | 168.5 | 164.7 | 0 | 0 | 0 | 0 | 114 | ||
| 78 | P | 28.3 | Very low | 33.5 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 165.4 | 153.5 | 36.6 | -29 | 0 | 0 | 0 | 113.3 | ||
| 79 | K | 26 | Very low | 32.3 | Very low | 209 Ų | 209 | 147.2 Ų | 147.2 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 164.9 | -174.3 | -88.5 | 176.5 | 170.6 | 178 | 0 | 115.3 | ||
| 80 | S | 28.6 | Very low | 31.6 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 151.3 | -177 | -31.4 | 0 | 0 | 0 | 0 | 116.2 | ||
| 81 | Q | 26.5 | Very low | 31.1 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -154.9 | 126.3 | 139.7 | -125.6 | 176.2 | 3.9 | 0 | 0 | 112.9 | ||||
| 82 | D | 26.8 | Very low | 30.8 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 63% | 0.631 | 80% | 0.8 | S | S | * | * | trans | 44 | 138.1 | 147 | -91.5 | -118.8 | 0 | 0 | 0 | 126.2 | ||||
| 83 | K | 28.3 | Very low | 30.8 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 73% | 0.726 | 81% | 0.806 | S | S | * | * | trans | 96.4 | 103.9 | 141.3 | -74.3 | 155.6 | -174 | 141.1 | 0 | 122.3 | ||||
| 84 | Q | 27.4 | Very low | 30.9 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 77.6 | 114.1 | 130.2 | -66.9 | -177.3 | -17.3 | 0 | 0 | 121.9 | ||||
| 85 | R | 28.1 | Very low | 31.1 | Very low | 236 Ų | 236 | 150.1 Ų | 150.1 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | 40.9 | 152.2 | 125.8 | -72.3 | -168.3 | -178.4 | -173.5 | 3.4 | 121.1 | |||||
| 86 | P | 37.1 | Very low | 31.1 | Very low | 100 Ų | 100 | 150.3 Ų | 150.3 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | cis | -142.7 | -170.5 | -42.1 | 40.4 | -21.5 | 0 | 0 | 0 | 113.2 | ||||
| 87 | L | 27.6 | Very low | 31.5 | Very low | 164 Ų | 164 | 145 Ų | 145 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | 77.4 | 140.6 | 157.6 | -66.1 | 169.4 | 0 | 0 | 0 | 121.4 | ||||
| 88 | Q | 30 | Very low | 31.9 | Very low | 184 Ų | 184 | 145.7 Ų | 145.7 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | 71.6 | 99.3 | 145.6 | -164.5 | 164.7 | 87.5 | 0 | 0 | 120.2 | ||||
| 89 | V | 26.8 | Very low | 32.1 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -129.1 | 126.8 | 152.9 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 90 | P | 31.8 | Very low | 33.1 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | trans | -88.2 | 168.1 | -175.9 | 35.1 | -36.2 | 0 | 0 | 0 | 114.1 | ||||
| 91 | V | 31.7 | Very low | 34.2 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -70.4 | 151.8 | 176 | -167.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 92 | S | 34.7 | Very low | 35.6 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | 118.1 | 113.9 | 145.8 | -49.1 | 0 | 0 | 0 | 0 | 116.2 | A94 | S92-A94 PolarHBondContact O-N 3.34Š| ||
| 93 | V | 43.9 | Very low | 36.9 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 98% | 0.976 | 75% | 0.754 | S | S | * | * | trans | -71.4 | 114.6 | 145.8 | 173.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 94 | A | 34.3 | Very low | 37.9 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | trans | -136.7 | 128.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S92 M96 | S92-A94 PolarHBondContact O-N 3.34Å; A94-M96 PolarHBondContact O-N 3.3Å | ||
| 95 | M | 43.6 | Very low | 39.1 | Very low | 194 Ų | 194 | 133.4 Ų | 133.4 | 96% | 0.956 | 74% | 0.739 | S | S | * | * | trans | -56.2 | 124 | 179.6 | -59.7 | -83 | -87.8 | 0 | 0 | 111.1 | ||||
| 96 | M | 32.3 | Very low | 40.4 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 78% | 0.778 | 73% | 0.725 | S | S | * | * | trans | -117 | 145.4 | 167.7 | -65.1 | -163.5 | 78.8 | 0 | 0 | 111.1 | A94 | A94-M96 PolarHBondContact O-N 3.3Š| ||
| 97 | S | 38 | Very low | 41.5 | Very low | 83 Ų | 83 | 130 Ų | 130 | 58% | 0.58 | 73% | 0.726 | S | S | * | * | trans | -60.6 | 160.1 | 172.5 | 43.2 | 0 | 0 | 0 | 0 | 111.9 | Q99 | S97-Q99 PolarHBondContact O-N 3.04Š| ||
| 98 | P | 38.1 | Very low | 42.8 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | trans | -66.7 | 86.1 | 166.6 | 29.5 | -34.5 | 0 | 0 | 0 | 109.5 | V100 | P98-V100 PolarHBondContact O-N 3.31Š| ||
| 99 | Q | 33.2 | Very low | 44.1 | Very low | 139 Ų | 139 | 124.8 Ų | 124.8 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | trans | -58.9 | 125.8 | 169.6 | -73.9 | -84.7 | 55.7 | 0 | 0 | 108.7 | S97 I101 | S97-Q99 PolarHBondContact O-N 3.04Å; Q99-I101 PolarHBondContact O-N 3.5Å | ||
| 100 | V | 45.8 | Very low | 45.3 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 81% | 0.812 | 69% | 0.687 | S | S | * | * | trans | -68.5 | 102.4 | 168.3 | -84.6 | 0 | 0 | 0 | 0 | 108.5 | P98 T102 | P98-V100 PolarHBondContact O-N 3.31Å; V100-T102 PolarHBondContact O-N 2.87Å | ||
| 101 | I | 52.3 | Low | 46.3 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 60% | 0.595 | 69% | 0.69 | S | S | * | * | trans | -55.4 | 120.8 | 176.1 | -65.6 | 169.6 | 0 | 0 | 0 | 108.2 | Q99 Q105 | Q99-I101 PolarHBondContact O-N 3.5Å; I101-Q105 HydrophobicContact CG2-CB 3.91Å | ||
| 102 | T | 56.7 | Low | 47.3 | Very low | 68 Ų | 68 | 127.8 Ų | 127.8 | 42% | 0.417 | 69% | 0.689 | S | S | . | * | trans | -69.4 | 146.2 | 176.1 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | V100 Q104 Q105 M106 | V100-T102 PolarHBondContact O-N 2.87Å; T102-Q104 PolarHBondContact O-N 3.2Å; T102-Q105 PolarHBondContact O-N 3.07Å; T102-M106 PolarHBondContact O-N 3.49Å | ||
| 103 | P | 54.2 | Low | 48 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -59.1 | -23.2 | -178.2 | 21.8 | -32.7 | 0 | 0 | 0 | 113.2 | M106 Q107 | P103-M106 PolarHBondContact O-N 3.34Å; P103-Q107 PolarHBondContact O-N 3.5Å; P103-Q107 VanDerWaalsContact O-N 3.16Å |
| 104 | Q | 49.5 | Very low | 48.4 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -66.3 | -40.4 | 173.2 | -70.1 | 168.4 | -38.4 | 0 | 0 | 112.8 | T102 Q107 Q108 | T102-Q104 PolarHBondContact O-N 3.2Å; Q104-Q107 PolarHBondContact O-N 3.22Å; Q104-Q108 PolarHBondContact O-N 2.9Å; Q104-Q108 VanDerWaalsContact O-N 3.14Å |
| 105 | Q | 51.7 | Low | 49.6 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 52% | 0.519 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -65.9 | -39.8 | 174.8 | -87.5 | -172.8 | -38.8 | 0 | 0 | 112.1 | I101 T102 Q107 Q108 I109 | I101-Q105 HydrophobicContact CG2-CB 3.91Å; T102-Q105 PolarHBondContact O-N 3.07Å; Q105-Q107 VanDerWaalsContact C-N 3.28Å; Q105-Q107 PolarHBondContact O-N 3.34Å; Q105-Q108 PolarHBondContact O-N 3.41Å; Q105-I109 WeakPolarHBondContact O-CG1 3.45Å; Q105-I109 PolarHBondContact O-N 2.91Å |
| 106 | M | 56 | Low | 50.7 | Low | 120 Ų | 120 | 121.5 Ų | 121.5 | 59% | 0.591 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.3 | -41.4 | 175.1 | -179.5 | 178.3 | 175 | 0 | 0 | 111.6 | T102 P103 L110 | T102-M106 PolarHBondContact O-N 3.49Å; P103-M106 PolarHBondContact O-N 3.34Å; M106-L110 HydrophobicContact CE-CD1 4.34Å; M106-L110 HydrophobicContact CG-CD1 4.38Å; M106-L110 PolarHBondContact O-N 3.34Å |
| 107 | Q | 58.7 | Low | 52.4 | Low | 144 Ų | 144 | 119.1 Ų | 119.1 | 67% | 0.673 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.5 | -30.2 | -179.5 | -166.4 | 152.1 | 57.5 | 0 | 0 | 113.1 | P103 Q104 Q105 | P103-Q107 PolarHBondContact O-N 3.5Å; P103-Q107 VanDerWaalsContact O-N 3.16Å; Q104-Q107 PolarHBondContact O-N 3.22Å; Q105-Q107 VanDerWaalsContact C-N 3.28Å; Q105-Q107 PolarHBondContact O-N 3.34Å |
| 108 | Q | 56.2 | Low | 53.8 | Low | 134 Ų | 134 | 122.8 Ų | 122.8 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -78.6 | -34.4 | 176.3 | -163.4 | 167.1 | 8.5 | 0 | 0 | 112.8 | Q104 Q105 Q111 | Q104-Q108 PolarHBondContact O-N 2.9Å; Q104-Q108 VanDerWaalsContact O-N 3.14Å; Q105-Q108 PolarHBondContact O-N 3.41Å; Q108-Q111 PolarHBondContact O-N 3.37Å |
| 109 | I | 56.1 | Low | 55.1 | Low | 105 Ų | 105 | 121.6 Ų | 121.6 | 54% | 0.538 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.7 | -41.1 | 173.8 | -70.9 | 167.3 | 0 | 0 | 0 | 111.1 | Q105 Q111 Q112 | Q105-I109 WeakPolarHBondContact O-CG1 3.45Å; Q105-I109 PolarHBondContact O-N 2.91Å; I109-Q111 PolarHBondContact O-N 3.08Å; I109-Q112 PolarHBondContact O-N 3.32Å |
| 110 | L | 53.3 | Low | 57 | Low | 115 Ų | 115 | 119.4 Ų | 119.4 | 60% | 0.602 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -10.6 | 176.4 | -88.3 | 165.3 | 0 | 0 | 0 | 114.8 | M106 | M106-L110 HydrophobicContact CE-CD1 4.34Å; M106-L110 HydrophobicContact CG-CD1 4.38Å; M106-L110 PolarHBondContact O-N 3.34Å |
| 111 | Q | 52.6 | Low | 58.6 | Low | 168 Ų | 168 | 119.1 Ų | 119.1 | 79% | 0.785 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -7 | -175.1 | -162.8 | 160 | 94.5 | 0 | 0 | 114.3 | Q108 I109 | Q108-Q111 PolarHBondContact O-N 3.37Å; I109-Q111 PolarHBondContact O-N 3.08Å |
| 112 | Q | 52.4 | Low | 59.7 | Low | 170 Ų | 170 | 116.3 Ų | 116.3 | 79% | 0.794 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.8 | -6.2 | -178.4 | -88.8 | -175.3 | 84 | 0 | 0 | 116.2 | I109 | I109-Q112 PolarHBondContact O-N 3.32Š|
| 113 | Q | 49 | Very low | 60.9 | Low | 135 Ų | 135 | 117.4 Ų | 117.4 | 63% | 0.631 | 61% | 0.605 | S | S | * | * | trans | -129.1 | 116 | 166.3 | -84 | -175.6 | -16.1 | 0 | 0 | 111.3 | L115 | Q113-L115 HydrophobicContact CB-CG 4.42Å; Q113-L115 PolarHBondContact O-N 3.47Å | ||
| 114 | V | 52.3 | Low | 62.2 | Low | 148 Ų | 148 | 117.2 Ų | 117.2 | 90% | 0.897 | 60% | 0.598 | S | S | * | * | trans | -74.4 | 71.4 | 160.7 | -172.1 | 0 | 0 | 0 | 0 | 107.8 | S116 | V114-S116 PolarHBondContact O-N 3Š| ||
| 115 | L | 58.9 | Low | 63.9 | Low | 73 Ų | 73 | 114.5 Ų | 114.5 | 38% | 0.382 | 59% | 0.585 | S | S | . | * | trans | -50.4 | 131.1 | 160.2 | -77.4 | 158.4 | 0 | 0 | 0 | 107.3 | Q113 Q119 | Q113-L115 HydrophobicContact CB-CG 4.42Å; Q113-L115 PolarHBondContact O-N 3.47Å; L115-Q119 HydrophobicContact CB-CB 4.48Å; L115-Q119 HydrophobicContact CD2-CB 4.23Å | ||
| 116 | S | 68 | Low | 65.2 | Low | 40 Ų | 40 | 115.3 Ų | 115.3 | 28% | 0.28 | 59% | 0.589 | S | S | . | * | trans | -60.8 | 149.8 | -178 | 81.4 | 0 | 0 | 0 | 0 | 109.6 | V114 Q118 Q119 L120 | V114-S116 PolarHBondContact O-N 3Å; S116-Q118 PolarHBondContact O-N 3.28Å; S116-Q119 WeakPolarHBondContact O-CA 3.17Å; S116-Q119 WeakPolarHBondContact O-CB 3.29Å; S116-Q119 PolarHBondContact O-N 2.74Å; S116-Q119 WeakPolarHBondContact OG-CG 3.21Å; S116-Q119 PolarHBondContact OG-N 3.22Å; S116-L120 PolarHBondContact O-N 3.27Å | ||
| 117 | P | 67.4 | Low | 66.2 | Low | 108 Ų | 108 | 115.5 Ų | 115.5 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -53 | -32.2 | 178.1 | -29.1 | 36.1 | 0 | 0 | 0 | 112.7 | Q121 | P117-Q121 VanDerWaalsContact O-CB 3.29Å; P117-Q121 WeakPolarHBondContact O-CB 3.39Å; P117-Q121 PolarHBondContact O-N 3.28Å |
| 118 | Q | 67.6 | Low | 67.1 | Low | 160 Ų | 160 | 113.4 Ų | 113.4 | 75% | 0.748 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.8 | -39.8 | 174 | -66.6 | 170.4 | -24.6 | 0 | 0 | 113.2 | S116 Q121 A122 | S116-Q118 PolarHBondContact O-N 3.28Å; Q118-Q121 PolarHBondContact O-N 3.17Å; Q118-A122 VanDerWaalsContact O-CB 3.3Å; Q118-A122 WeakPolarHBondContact O-CB 3.36Å; Q118-A122 PolarHBondContact O-N 2.66Å |
| 119 | Q | 64.8 | Low | 68.1 | Low | 108 Ų | 108 | 109.7 Ų | 109.7 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.9 | -40.6 | 174.3 | -73.9 | 169.5 | -29.5 | 0 | 0 | 111.6 | L115 S116 A122 L123 | L115-Q119 HydrophobicContact CB-CB 4.48Å; L115-Q119 HydrophobicContact CD2-CB 4.23Å; S116-Q119 WeakPolarHBondContact O-CA 3.17Å; S116-Q119 WeakPolarHBondContact O-CB 3.29Å; S116-Q119 PolarHBondContact O-N 2.74Å; S116-Q119 WeakPolarHBondContact OG-CG 3.21Å; S116-Q119 PolarHBondContact OG-N 3.22Å; Q119-A122 PolarHBondContact O-N 2.98Å; Q119-L123 WeakPolarHBondContact O-CB 3.2Å; Q119-L123 PolarHBondContact O-N 2.82Å |
| 120 | L | 74.1 | Confident | 69.5 | Low | 92 Ų | 92 | 108.3 Ų | 108.3 | 48% | 0.482 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.3 | -42.8 | 175.2 | -174.5 | 61.9 | 0 | 0 | 0 | 111.6 | S116 A122 L123 L124 | S116-L120 PolarHBondContact O-N 3.27Å; L120-A122 PolarHBondContact O-N 2.92Å; L120-L123 PolarHBondContact O-N 3.5Å; L120-L124 WeakPolarHBondContact O-CB 3.48Å; L120-L124 PolarHBondContact O-N 2.97Å |
| 121 | Q | 78.3 | Confident | 71 | Confident | 128 Ų | 128 | 108.8 Ų | 108.8 | 60% | 0.598 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.2 | -46 | 173.3 | -166.3 | 79 | 21.6 | 0 | 0 | 111.3 | P117 Q118 L124 Q125 | P117-Q121 VanDerWaalsContact O-CB 3.29Å; P117-Q121 WeakPolarHBondContact O-CB 3.39Å; P117-Q121 PolarHBondContact O-N 3.28Å; Q118-Q121 PolarHBondContact O-N 3.17Å; Q121-L124 PolarHBondContact O-N 3.43Å; Q121-Q125 WeakPolarHBondContact O-CB 3.47Å; Q121-Q125 PolarHBondContact O-N 3.06Å |
| 122 | A | 76.8 | Confident | 72.5 | Confident | 58 Ų | 58 | 103.4 Ų | 103.4 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q118 Q119 L120 Q125 Q126 | Q118-A122 VanDerWaalsContact O-CB 3.3Å; Q118-A122 WeakPolarHBondContact O-CB 3.36Å; Q118-A122 PolarHBondContact O-N 2.66Å; Q119-A122 PolarHBondContact O-N 2.98Å; L120-A122 PolarHBondContact O-N 2.92Å; A122-Q125 PolarHBondContact O-N 3.22Å; A122-Q126 VanDerWaalsContact O-CB 3.32Å; A122-Q126 WeakPolarHBondContact O-CB 3.38Å; A122-Q126 PolarHBondContact O-N 3.1Å |
| 123 | L | 80.4 | Confident | 74 | Confident | 91 Ų | 91 | 102.1 Ų | 102.1 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 176.4 | -173 | 65.4 | 0 | 0 | 0 | 111.8 | Q119 L120 Q126 Q127 | Q119-L123 WeakPolarHBondContact O-CB 3.2Å; Q119-L123 PolarHBondContact O-N 2.82Å; L120-L123 PolarHBondContact O-N 3.5Å; L123-Q126 PolarHBondContact O-N 3.4Å; L123-Q127 WeakPolarHBondContact O-CB 3.46Å; L123-Q127 PolarHBondContact O-N 3.01Å |
| 124 | L | 82.4 | Confident | 75.6 | Confident | 104 Ų | 104 | 102.5 Ų | 102.5 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 174.6 | -167.1 | 76.1 | 0 | 0 | 0 | 111.4 | L120 Q121 Q126 Q127 Q128 | L120-L124 WeakPolarHBondContact O-CB 3.48Å; L120-L124 PolarHBondContact O-N 2.97Å; Q121-L124 PolarHBondContact O-N 3.43Å; L124-Q126 PolarHBondContact O-N 3.08Å; L124-Q127 PolarHBondContact O-N 2.77Å; L124-Q128 WeakPolarHBondContact O-CB 3.37Å; L124-Q128 PolarHBondContact O-N 2.79Å |
| 125 | Q | 84 | Confident | 77 | Confident | 93 Ų | 93 | 100.7 Ų | 100.7 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 176.7 | -166.4 | 73.3 | 88.2 | 0 | 0 | 111.5 | Q121 A122 Q128 A129 | Q121-Q125 WeakPolarHBondContact O-CB 3.47Å; Q121-Q125 PolarHBondContact O-N 3.06Å; A122-Q125 PolarHBondContact O-N 3.22Å; Q125-Q128 PolarHBondContact O-N 2.88Å; Q125-A129 WeakPolarHBondContact O-CB 3.41Å; Q125-A129 PolarHBondContact O-N 3.22Å |
| 126 | Q | 80.1 | Confident | 78 | Confident | 128 Ų | 128 | 103.4 Ų | 103.4 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.6 | -46.2 | 175.4 | -174.8 | -175.4 | 95.1 | 0 | 0 | 111.6 | A122 L123 L124 Q128 A129 V130 | A122-Q126 VanDerWaalsContact O-CB 3.32Å; A122-Q126 WeakPolarHBondContact O-CB 3.38Å; A122-Q126 PolarHBondContact O-N 3.1Å; L123-Q126 PolarHBondContact O-N 3.4Å; L124-Q126 PolarHBondContact O-N 3.08Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 3.42Å; Q126-A129 PolarHBondContact O-N 3.12Å; Q126-V130 WeakPolarHBondContact O-CG2 3.18Å; Q126-V130 PolarHBondContact O-N 3.11Å |
| 127 | Q | 77.4 | Confident | 78.8 | Confident | 124 Ų | 124 | 106.1 Ų | 106.1 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.6 | -42.9 | 177 | -171.1 | -174.5 | 105.8 | 0 | 0 | 111.5 | L123 L124 V130 M131 | L123-Q127 WeakPolarHBondContact O-CB 3.46Å; L123-Q127 PolarHBondContact O-N 3.01Å; L124-Q127 PolarHBondContact O-N 2.77Å; Q127-V130 PolarHBondContact O-N 3.28Å; Q127-M131 PolarHBondContact O-N 2.71Å |
| 128 | Q | 77.9 | Confident | 79.3 | Confident | 100 Ų | 100 | 108 Ų | 108 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 177.2 | -168.1 | 176.4 | 77.6 | 0 | 0 | 112.2 | L124 Q125 Q126 M131 L132 | L124-Q128 WeakPolarHBondContact O-CB 3.37Å; L124-Q128 PolarHBondContact O-N 2.79Å; Q125-Q128 PolarHBondContact O-N 2.88Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 3.42Å; Q128-M131 PolarHBondContact O-N 3.27Å; Q128-L132 WeakPolarHBondContact O-CG 3.15Å; Q128-L132 PolarHBondContact O-N 3.46Å |
| 129 | A | 77 | Confident | 79.7 | Confident | 55 Ų | 55 | 102.8 Ų | 102.8 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q125 Q126 L132 Q133 | Q125-A129 WeakPolarHBondContact O-CB 3.41Å; Q125-A129 PolarHBondContact O-N 3.22Å; Q126-A129 PolarHBondContact O-N 3.12Å; A129-L132 PolarHBondContact O-N 3.43Å; A129-Q133 WeakPolarHBondContact O-CB 3.41Å; A129-Q133 PolarHBondContact O-N 3.15Å |
| 130 | V | 84.4 | Confident | 80.6 | Confident | 77 Ų | 77 | 103.4 Ų | 103.4 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | Q126 Q127 L132 Q133 Q134 | Q126-V130 WeakPolarHBondContact O-CG2 3.18Å; Q126-V130 PolarHBondContact O-N 3.11Å; Q127-V130 PolarHBondContact O-N 3.28Å; V130-L132 PolarHBondContact O-N 3.13Å; V130-Q133 PolarHBondContact O-N 2.95Å; V130-Q134 WeakPolarHBondContact O-CB 3.49Å; V130-Q134 PolarHBondContact O-N 3.2Å |
| 131 | M | 84.7 | Confident | 80.6 | Confident | 125 Ų | 125 | 105.8 Ų | 105.8 | 62% | 0.616 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.5 | -44.4 | 175.2 | -171.5 | -172.7 | -63.7 | 0 | 0 | 112.1 | Q127 Q128 Q134 Q135 | Q127-M131 PolarHBondContact O-N 2.71Å; Q128-M131 PolarHBondContact O-N 3.27Å; M131-Q134 PolarHBondContact O-N 3.37Å; M131-Q135 PolarHBondContact O-N 3.32Å |
| 132 | L | 85 | Confident | 80.7 | Confident | 54 Ų | 54 | 104.1 Ų | 104.1 | 28% | 0.283 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 176.8 | -72 | 168 | 0 | 0 | 0 | 112.4 | Q128 A129 V130 Q134 Q135 H136 | Q128-L132 WeakPolarHBondContact O-CG 3.15Å; Q128-L132 PolarHBondContact O-N 3.46Å; A129-L132 PolarHBondContact O-N 3.43Å; V130-L132 PolarHBondContact O-N 3.13Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 3.42Å; L132-Q135 PolarHBondContact O-N 3.25Å; L132-H136 PolarHBondContact O-N 2.8Å |
| 133 | Q | 83.5 | Confident | 80.8 | Confident | 144 Ų | 144 | 107.1 Ų | 107.1 | 67% | 0.673 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 174.5 | -173.9 | 178.8 | 76.9 | 0 | 0 | 111.4 | A129 V130 H136 L137 | A129-Q133 WeakPolarHBondContact O-CB 3.41Å; A129-Q133 PolarHBondContact O-N 3.15Å; V130-Q133 PolarHBondContact O-N 2.95Å; Q133-H136 PolarHBondContact O-N 2.94Å; Q133-L137 PolarHBondContact O-N 3.44Å |
| 134 | Q | 81.6 | Confident | 80.8 | Confident | 142 Ų | 142 | 108 Ų | 108 | 66% | 0.664 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.3 | -37 | 176.7 | -166.8 | 164.5 | 104.4 | 0 | 0 | 112.2 | V130 M131 L132 L137 Q138 | V130-Q134 WeakPolarHBondContact O-CB 3.49Å; V130-Q134 PolarHBondContact O-N 3.2Å; M131-Q134 PolarHBondContact O-N 3.37Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 3.42Å; Q134-L137 PolarHBondContact O-N 3.29Å; Q134-Q138 WeakPolarHBondContact O-CB 3.3Å; Q134-Q138 PolarHBondContact O-N 2.84Å |
| 135 | Q | 83.6 | Confident | 80 | Confident | 110 Ų | 110 | 109.8 Ų | 109.8 | 51% | 0.514 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 172.5 | -172.8 | -174.2 | 97.1 | 0 | 0 | 112 | M131 L132 L137 Q138 E139 | M131-Q135 PolarHBondContact O-N 3.32Å; L132-Q135 PolarHBondContact O-N 3.25Å; Q135-L137 PolarHBondContact O-N 3.34Å; Q135-Q138 PolarHBondContact O-N 2.97Å; Q135-E139 PolarHBondContact O-N 3.15Å |
| 136 | H | 79.9 | Confident | 79.6 | Confident | 131 Ų | 131 | 108.8 Ų | 108.8 | 61% | 0.606 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 176.6 | -77.5 | 151.9 | 0 | 0 | 0 | 112.6 | L132 Q133 Q138 E139 F140 | L132-H136 PolarHBondContact O-N 2.8Å; Q133-H136 PolarHBondContact O-N 2.94Å; H136-Q138 VanDerWaalsContact C-N 3.31Å; H136-Q138 PolarHBondContact O-N 3.3Å; H136-E139 PolarHBondContact O-N 3.32Å; H136-F140 WeakPolarHBondContact O-CB 3.34Å; H136-F140 PolarHBondContact O-N 3.24Å |
| 137 | L | 83.4 | Confident | 79.3 | Confident | 96 Ų | 96 | 109 Ų | 109 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 175.4 | -172.2 | 64.3 | 0 | 0 | 0 | 111.5 | Q133 Q134 Q135 F140 Y141 | Q133-L137 PolarHBondContact O-N 3.44Å; Q134-L137 PolarHBondContact O-N 3.29Å; Q135-L137 PolarHBondContact O-N 3.34Å; L137-F140 WeakPolarHBondContact O-CB 3.43Å; L137-F140 PolarHBondContact O-N 2.95Å; L137-Y141 HydrophobicContact CD1-CD2 4.32Å; L137-Y141 HydrophobicContact CD1-CE2 3.81Å; L137-Y141 HydrophobicContact CD2-CE2 4.42Å; L137-Y141 HydrophobicContact CG-CD2 4.15Å; L137-Y141 HydrophobicContact CG-CE2 3.85Å; L137-Y141 VanDerWaalsContact O-CD2 3.27Å; L137-Y141 WeakPolarHBondContact O-CD2 3.19Å; L137-Y141 PolarHBondContact O-N 3.45Å; L137-Y141 VanDerWaalsContact O-N 3.13Å |
| 138 | Q | 77.4 | Confident | 79 | Confident | 147 Ų | 147 | 108.4 Ų | 108.4 | 69% | 0.687 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.1 | -36.2 | 176.8 | -160 | 172.7 | 50 | 0 | 0 | 112.8 | Q134 Q135 H136 F140 K142 | Q134-Q138 WeakPolarHBondContact O-CB 3.3Å; Q134-Q138 PolarHBondContact O-N 2.84Å; Q135-Q138 PolarHBondContact O-N 2.97Å; H136-Q138 VanDerWaalsContact C-N 3.31Å; H136-Q138 PolarHBondContact O-N 3.3Å; Q138-F140 VanDerWaalsContact C-N 3.32Å; Q138-K142 WeakPolarHBondContact O-CB 3.34Å; Q138-K142 PolarHBondContact O-N 2.91Å; Q138-K142 VanDerWaalsContact O-N 3.12Å |
| 139 | E | 76.9 | Confident | 78.8 | Confident | 51 Ų | 51 | 108.6 Ų | 108.6 | 24% | 0.238 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 167.9 | -85.9 | -108.7 | 137.8 | 0 | 0 | 111.7 | Q135 H136 K143 R183 | Q135-E139 PolarHBondContact O-N 3.15Å; H136-E139 PolarHBondContact O-N 3.32Å; E139-K143 WeakPolarHBondContact O-CG 3.48Å; E139-K143 PolarHBondContact O-N 3.46Å; E139-R183 IonicContact OE1-NH1 3.42Å; E139-R183 PolarHBondContact OE1-NH1 2.73Å; E139-R183 IonicContact OE2-CZ 2.73Å; E139-R183 IonicContact OE2-NH1 3.71Å; E139-R183 PolarHBondContact OE2-NH1 3.42Å |
| 140 | F | 83.5 | Confident | 78.8 | Confident | 121 Ų | 121 | 110.7 Ų | 110.7 | 53% | 0.531 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -54.8 | 179.6 | 178.5 | -94.3 | 0 | 0 | 0 | 112 | H136 L137 Q138 K142 K143 Q144 | H136-F140 WeakPolarHBondContact O-CB 3.34Å; H136-F140 PolarHBondContact O-N 3.24Å; L137-F140 WeakPolarHBondContact O-CB 3.43Å; L137-F140 PolarHBondContact O-N 2.95Å; Q138-F140 VanDerWaalsContact C-N 3.32Å; F140-K142 VanDerWaalsContact C-N 3.25Å; F140-K142 PolarHBondContact O-N 3.41Å; F140-K143 PolarHBondContact O-N 3.05Å; F140-K143 VanDerWaalsContact O-N 3.14Å; F140-Q144 PolarHBondContact O-N 3.08Å |
| 141 | Y | 73.9 | Confident | 78.2 | Confident | 143 Ų | 143 | 112.3 Ų | 112.3 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.9 | -39.8 | 176.5 | -78.3 | -65 | 0 | 0 | 0 | 112.1 | L137 Q144 Q145 | L137-Y141 HydrophobicContact CD1-CD2 4.32Å; L137-Y141 HydrophobicContact CD1-CE2 3.81Å; L137-Y141 HydrophobicContact CD2-CE2 4.42Å; L137-Y141 HydrophobicContact CG-CD2 4.15Å; L137-Y141 HydrophobicContact CG-CE2 3.85Å; L137-Y141 VanDerWaalsContact O-CD2 3.27Å; L137-Y141 WeakPolarHBondContact O-CD2 3.19Å; L137-Y141 PolarHBondContact O-N 3.45Å; L137-Y141 VanDerWaalsContact O-N 3.13Å; Y141-Q144 PolarHBondContact O-N 3.38Å; Y141-Q145 WeakPolarHBondContact O-CB 3.49Å; Y141-Q145 PolarHBondContact O-N 2.87Å |
| 142 | K | 81.8 | Confident | 77.5 | Confident | 93 Ų | 93 | 111.3 Ų | 111.3 | 40% | 0.404 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 176.4 | -178.4 | 178.5 | 178.8 | -177.8 | 0 | 112.7 | Q138 F140 Q145 E146 | Q138-K142 WeakPolarHBondContact O-CB 3.34Å; Q138-K142 PolarHBondContact O-N 2.91Å; Q138-K142 VanDerWaalsContact O-N 3.12Å; F140-K142 VanDerWaalsContact C-N 3.25Å; F140-K142 PolarHBondContact O-N 3.41Å; K142-Q145 PolarHBondContact O-N 3.02Å; K142-E146 WeakPolarHBondContact CE-OE1 3.46Å; K142-E146 WeakPolarHBondContact CG-OE1 3.39Å; K142-E146 WeakPolarHBondContact O-CB 3.36Å; K142-E146 WeakPolarHBondContact O-CG 3.37Å; K142-E146 PolarHBondContact O-N 2.91Å |
| 143 | K | 78.3 | Confident | 76.6 | Confident | 121 Ų | 121 | 111.3 Ų | 111.3 | 53% | 0.526 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 173.1 | -77.2 | 175.2 | -175.1 | 173.1 | 0 | 111.6 | E139 F140 Q145 E146 Q147 | E139-K143 WeakPolarHBondContact O-CG 3.48Å; E139-K143 PolarHBondContact O-N 3.46Å; F140-K143 PolarHBondContact O-N 3.05Å; F140-K143 VanDerWaalsContact O-N 3.14Å; K143-Q145 VanDerWaalsContact C-N 3.32Å; K143-Q145 PolarHBondContact O-N 3.4Å; K143-E146 PolarHBondContact O-N 3.39Å; K143-Q147 WeakPolarHBondContact O-CB 3.24Å; K143-Q147 PolarHBondContact O-N 2.84Å |
| 144 | Q | 79.3 | Confident | 75.6 | Confident | 109 Ų | 109 | 112.2 Ų | 112.2 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 178.1 | -163 | -168.1 | 28.5 | 0 | 0 | 111.4 | F140 Y141 Q147 L148 | F140-Q144 PolarHBondContact O-N 3.08Å; Y141-Q144 PolarHBondContact O-N 3.38Å; Q144-Q147 PolarHBondContact O-N 3.22Å; Q144-L148 WeakPolarHBondContact O-CB 3.45Å; Q144-L148 PolarHBondContact O-N 3.25Å |
| 145 | Q | 66.6 | Low | 74.7 | Confident | 141 Ų | 141 | 113.1 Ų | 113.1 | 66% | 0.659 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.6 | -38.5 | 176.1 | -165.9 | 176.6 | 17.8 | 0 | 0 | 112.5 | Y141 K142 K143 H149 | Y141-Q145 WeakPolarHBondContact O-CB 3.49Å; Y141-Q145 PolarHBondContact O-N 2.87Å; K142-Q145 PolarHBondContact O-N 3.02Å; K143-Q145 VanDerWaalsContact C-N 3.32Å; K143-Q145 PolarHBondContact O-N 3.4Å; Q145-H149 WeakPolarHBondContact O-CB 3.41Å; Q145-H149 PolarHBondContact O-N 3.17Å |
| 146 | E | 75.1 | Confident | 73.2 | Confident | 73 Ų | 73 | 114.5 Ų | 114.5 | 34% | 0.341 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 173.7 | -73.7 | 178.2 | -149.2 | 0 | 0 | 112.1 | K142 K143 H149 L150 K179 | K142-E146 WeakPolarHBondContact CE-OE1 3.46Å; K142-E146 WeakPolarHBondContact CG-OE1 3.39Å; K142-E146 WeakPolarHBondContact O-CB 3.36Å; K142-E146 WeakPolarHBondContact O-CG 3.37Å; K142-E146 PolarHBondContact O-N 2.91Å; K143-E146 PolarHBondContact O-N 3.39Å; E146-H149 PolarHBondContact O-N 2.81Å; E146-L150 PolarHBondContact O-N 3.44Å; E146-K179 IonicContact OE1-NZ 3.18Å; E146-K179 PolarHBondContact OE1-NZ 3.1Å; E146-K179 IonicContact OE2-NZ 3.55Å; E146-K179 PolarHBondContact OE2-NZ 3.38Å |
| 147 | Q | 73.5 | Confident | 71.7 | Confident | 132 Ų | 132 | 114.3 Ų | 114.3 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.8 | -46.4 | 175 | -175.8 | 176.5 | 0.4 | 0 | 0 | 111.8 | K143 Q144 H149 L150 Q151 | K143-Q147 WeakPolarHBondContact O-CB 3.24Å; K143-Q147 PolarHBondContact O-N 2.84Å; Q144-Q147 PolarHBondContact O-N 3.22Å; Q147-H149 VanDerWaalsContact C-N 3.3Å; Q147-H149 PolarHBondContact O-N 3.2Å; Q147-L150 WeakPolarHBondContact O-CB 3.37Å; Q147-L150 PolarHBondContact O-N 3.49Å; Q147-Q151 PolarHBondContact O-N 3.06Å |
| 148 | L | 70.9 | Confident | 69.8 | Low | 111 Ų | 111 | 115.9 Ų | 115.9 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.9 | -34 | 177.8 | -172.4 | 143.4 | 0 | 0 | 0 | 112.1 | Q144 Q151 L152 | Q144-L148 WeakPolarHBondContact O-CB 3.45Å; Q144-L148 PolarHBondContact O-N 3.25Å; L148-Q151 WeakPolarHBondContact O-CB 3.16Å; L148-Q151 PolarHBondContact O-N 2.98Å; L148-L152 HydrophobicContact CD2-CD1 4.08Å; L148-L152 WeakPolarHBondContact O-CD1 3.42Å; L148-L152 PolarHBondContact O-N 2.95Å; L148-L152 VanDerWaalsContact O-N 3.07Å |
| 149 | H | 74.1 | Confident | 68.5 | Low | 105 Ų | 105 | 111.5 Ų | 111.5 | 49% | 0.486 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 172.5 | -178.4 | 58 | 0 | 0 | 0 | 112.7 | Q145 E146 Q147 Q151 L152 L153 | Q145-H149 WeakPolarHBondContact O-CB 3.41Å; Q145-H149 PolarHBondContact O-N 3.17Å; E146-H149 PolarHBondContact O-N 2.81Å; Q147-H149 VanDerWaalsContact C-N 3.3Å; Q147-H149 PolarHBondContact O-N 3.2Å; H149-Q151 VanDerWaalsContact C-N 3.34Å; H149-L152 PolarHBondContact O-N 3.39Å; H149-L153 PolarHBondContact O-N 3.38Å |
| 150 | L | 76.5 | Confident | 66.8 | Low | 98 Ų | 98 | 118 Ų | 118 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.3 | -41.1 | 171.8 | -109.2 | 67.1 | 0 | 0 | 0 | 112 | E146 Q147 L152 L153 Q154 | E146-L150 PolarHBondContact O-N 3.44Å; Q147-L150 WeakPolarHBondContact O-CB 3.37Å; Q147-L150 PolarHBondContact O-N 3.49Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 3.42Å; L150-L153 PolarHBondContact O-N 3.19Å; L150-Q154 PolarHBondContact O-N 3.49Å |
| 151 | Q | 73.1 | Confident | 64.7 | Low | 112 Ų | 112 | 120.1 Ų | 120.1 | 52% | 0.523 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.4 | -40.1 | 176.7 | -158.9 | 75.4 | 48.3 | 0 | 0 | 111.8 | Q147 L148 H149 Q155 | Q147-Q151 PolarHBondContact O-N 3.06Å; L148-Q151 WeakPolarHBondContact O-CB 3.16Å; L148-Q151 PolarHBondContact O-N 2.98Å; H149-Q151 VanDerWaalsContact C-N 3.34Å; Q151-Q155 PolarHBondContact O-N 3.41Å |
| 152 | L | 69.3 | Low | 63.3 | Low | 104 Ų | 104 | 117.9 Ų | 117.9 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.9 | -48.1 | 173.5 | -102.8 | 73.7 | 0 | 0 | 0 | 112 | L148 H149 L150 Q154 Q155 Q156 | L148-L152 HydrophobicContact CD2-CD1 4.08Å; L148-L152 WeakPolarHBondContact O-CD1 3.42Å; L148-L152 PolarHBondContact O-N 2.95Å; L148-L152 VanDerWaalsContact O-N 3.07Å; H149-L152 PolarHBondContact O-N 3.39Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 3.42Å; L152-Q154 VanDerWaalsContact C-N 3.29Å; L152-Q154 PolarHBondContact O-N 2.64Å; L152-Q155 PolarHBondContact O-N 3.46Å; L152-Q155 VanDerWaalsContact O-N 3.11Å; L152-Q156 PolarHBondContact O-N 2.91Å |
| 153 | L | 65.6 | Low | 61.6 | Low | 54 Ų | 54 | 122.8 Ų | 122.8 | 28% | 0.283 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -58.6 | -41.4 | 179.5 | -111.6 | 73.9 | 0 | 0 | 0 | 112 | H149 L150 Q155 Q156 T168 I172 | H149-L153 PolarHBondContact O-N 3.38Å; L150-L153 PolarHBondContact O-N 3.19Å; L153-Q155 VanDerWaalsContact C-N 3.27Å; L153-Q155 PolarHBondContact O-N 3.42Å; L153-Q156 PolarHBondContact O-N 3.45Å; L153-T168 HydrophobicContact CD2-CG2 4.49Å; L153-I172 HydrophobicContact CD2-CD1 3.68Å |
| 154 | Q | 63.8 | Low | 59.9 | Low | 163 Ų | 163 | 124.5 Ų | 124.5 | 76% | 0.762 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.3 | -24.4 | 179.5 | -169.4 | 158.7 | 47.9 | 0 | 0 | 113 | L150 L152 | L150-Q154 PolarHBondContact O-N 3.49Å; L152-Q154 VanDerWaalsContact C-N 3.29Å; L152-Q154 PolarHBondContact O-N 2.64Å |
| 155 | Q | 61.2 | Low | 58.4 | Low | 160 Ų | 160 | 123.4 Ų | 123.4 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -80.3 | -17.8 | 175.4 | -155.4 | 179.7 | 114.3 | 0 | 0 | 113.1 | Q151 L152 L153 | Q151-Q155 PolarHBondContact O-N 3.41Å; L152-Q155 PolarHBondContact O-N 3.46Å; L152-Q155 VanDerWaalsContact O-N 3.11Å; L153-Q155 VanDerWaalsContact C-N 3.27Å; L153-Q155 PolarHBondContact O-N 3.42Å |
| 156 | Q | 53.4 | Low | 57.6 | Low | 140 Ų | 140 | 120.3 Ų | 120.3 | 65% | 0.654 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -84.6 | -8.9 | -169 | -157.2 | 166.1 | 17 | 0 | 0 | 114.9 | L152 L153 | L152-Q156 PolarHBondContact O-N 2.91Å; L153-Q156 PolarHBondContact O-N 3.45Å |
| 157 | H | 48.2 | Very low | 56.5 | Low | 126 Ų | 126 | 119.5 Ų | 119.5 | 58% | 0.583 | 62% | 0.621 | S | S | * | * | trans | -133.7 | 72.9 | -174.8 | -68.2 | -75.4 | 0 | 0 | 0 | 115.9 | G159 | H157-G159 PolarHBondContact O-N 3.14Š| ||
| 158 | P | 42.5 | Very low | 55.6 | Low | 129 Ų | 129 | 116 Ų | 116 | 84% | 0.838 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -72.3 | 60.1 | 150.3 | 33.9 | -33.7 | 0 | 0 | 0 | 110.6 | ||
| 159 | G | 51.1 | Low | 54.9 | Low | 55 Ų | 55 | 113.9 Ų | 113.9 | 57% | 0.567 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 85.8 | 115.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118 | H157 | H157-G159 PolarHBondContact O-N 3.14Š|
| 160 | K | 40.8 | Very low | 54.1 | Low | 187 Ų | 187 | 116.7 Ų | 116.7 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | trans | -176.7 | 140.2 | 134.8 | -99.9 | 154.1 | -170.3 | 175.5 | 0 | 112 | ||||
| 161 | Q | 39.3 | Very low | 53.6 | Low | 167 Ų | 167 | 117 Ų | 117 | 78% | 0.78 | 61% | 0.612 | S | S | * | * | trans | 53.8 | 104.1 | 165.1 | -57.6 | -65.4 | 6.5 | 0 | 0 | 119 | K163 | Q161-K163 VanDerWaalsContact C-N 3.31Å; Q161-K163 PolarHBondContact O-N 3.25Å | ||
| 162 | A | 46 | Very low | 53.5 | Low | 95 Ų | 95 | 114.8 Ų | 114.8 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 17.3 | -171 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 163 | K | 44.6 | Very low | 53.4 | Low | 197 Ų | 197 | 112.8 Ų | 112.8 | 86% | 0.857 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -25 | -177.6 | -74.6 | -173.2 | 175.6 | -179.2 | 0 | 115.3 | Q161 | Q161-K163 VanDerWaalsContact C-N 3.31Å; Q161-K163 PolarHBondContact O-N 3.25Å |
| 164 | E | 43.3 | Very low | 53.3 | Low | 156 Ų | 156 | 115.2 Ų | 115.2 | 73% | 0.729 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -86.7 | -26.4 | -179 | -161 | 170.7 | 159.2 | 0 | 0 | 112.4 | D166 A167 T168 | E164-D166 PolarHBondContact O-N 3.15Å; E164-A167 PolarHBondContact O-N 3.18Å; E164-T168 PolarHBondContact O-N 2.93Å; E164-T168 PolarHBondContact O-OG1 3.1Å |
| 165 | V | 47.8 | Very low | 53.7 | Low | 86 Ų | 86 | 112.8 Ų | 112.8 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.1 | -38.8 | -178 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | T168 S169 | V165-T168 PolarHBondContact O-N 3.09Å; V165-S169 WeakPolarHBondContact O-CB 3.42Å; V165-S169 PolarHBondContact O-N 3.08Å |
| 166 | D | 49.4 | Very low | 54.1 | Low | 77 Ų | 77 | 112.4 Ų | 112.4 | 41% | 0.412 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.9 | -41.9 | -179 | -174.3 | 25.5 | 0 | 0 | 0 | 111.9 | E164 T168 S169 R170 | E164-D166 PolarHBondContact O-N 3.15Å; D166-T168 PolarHBondContact O-N 2.96Å; D166-S169 PolarHBondContact O-N 3.16Å; D166-R170 WeakPolarHBondContact O-CB 3.48Å; D166-R170 WeakPolarHBondContact O-CG 3.43Å; D166-R170 PolarHBondContact O-N 3.31Å; D166-R170 IonicContact OD1-CZ 3.61Å; D166-R170 IonicContact OD1-NE 3.66Å; D166-R170 PolarHBondContact OD1-NE 3.3Å; D166-R170 IonicContact OD1-NH2 3.23Å; D166-R170 IonicContact OD2-CZ 2.69Å; D166-R170 VanDerWaalsContact OD2-CZ 3.23Å; D166-R170 IonicContact OD2-NE 3.72Å; D166-R170 PolarHBondContact OD2-NE 3.31Å; D166-R170 IonicContact OD2-NH2 3.02Å; D166-R170 PolarHBondContact OD2-NH2 3.2Å |
| 167 | A | 52 | Low | 54.7 | Low | 55 Ų | 55 | 110 Ų | 110 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.4 | -45.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | E164 R170 L171 | E164-A167 PolarHBondContact O-N 3.18Å; A167-R170 PolarHBondContact O-N 3.03Å; A167-L171 PolarHBondContact O-N 3.21Å |
| 168 | T | 54.4 | Low | 55.8 | Low | 60 Ų | 60 | 109.2 Ų | 109.2 | 37% | 0.368 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.6 | -41 | 178.2 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | L153 E164 V165 D166 L171 I172 | L153-T168 HydrophobicContact CD2-CG2 4.49Å; E164-T168 PolarHBondContact O-N 2.93Å; E164-T168 PolarHBondContact O-OG1 3.1Å; V165-T168 PolarHBondContact O-N 3.09Å; D166-T168 PolarHBondContact O-N 2.96Å; T168-L171 PolarHBondContact O-N 3.17Å; T168-I172 HydrophobicContact CG2-CD1 4.19Å; T168-I172 WeakPolarHBondContact O-CG1 3.25Å; T168-I172 PolarHBondContact O-N 3.02Å |
| 169 | S | 56.8 | Low | 57.1 | Low | 66 Ų | 66 | 105 Ų | 105 | 46% | 0.462 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.9 | -43.5 | 174.8 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | V165 D166 L171 I172 S173 | V165-S169 WeakPolarHBondContact O-CB 3.42Å; V165-S169 PolarHBondContact O-N 3.08Å; D166-S169 PolarHBondContact O-N 3.16Å; S169-L171 PolarHBondContact O-N 3.31Å; S169-I172 PolarHBondContact O-N 2.95Å; S169-S173 WeakPolarHBondContact O-CB 3.43Å; S169-S173 PolarHBondContact O-N 2.9Å |
| 170 | R | 58.1 | Low | 58.1 | Low | 163 Ų | 163 | 106.1 Ų | 106.1 | 62% | 0.615 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.8 | -41.8 | 174.4 | -72.4 | 171.8 | -168.5 | -134.6 | 11 | 112 | D166 A167 S173 M174 | D166-R170 WeakPolarHBondContact O-CB 3.48Å; D166-R170 WeakPolarHBondContact O-CG 3.43Å; D166-R170 PolarHBondContact O-N 3.31Å; D166-R170 IonicContact OD1-CZ 3.61Å; D166-R170 IonicContact OD1-NE 3.66Å; D166-R170 PolarHBondContact OD1-NE 3.3Å; D166-R170 IonicContact OD1-NH2 3.23Å; D166-R170 IonicContact OD2-CZ 2.69Å; D166-R170 VanDerWaalsContact OD2-CZ 3.23Å; D166-R170 IonicContact OD2-NE 3.72Å; D166-R170 PolarHBondContact OD2-NE 3.31Å; D166-R170 IonicContact OD2-NH2 3.02Å; D166-R170 PolarHBondContact OD2-NH2 3.2Å; A167-R170 PolarHBondContact O-N 3.03Å; R170-S173 PolarHBondContact O-N 3.29Å; R170-M174 VanDerWaalsContact O-CB 3.25Å; R170-M174 WeakPolarHBondContact O-CB 3.26Å; R170-M174 PolarHBondContact O-N 2.86Å |
| 171 | L | 64.3 | Low | 59.3 | Low | 105 Ų | 105 | 106.2 Ų | 106.2 | 55% | 0.55 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 174.1 | -85.6 | 161.5 | 0 | 0 | 0 | 112.2 | A167 T168 S169 M174 H175 | A167-L171 PolarHBondContact O-N 3.21Å; T168-L171 PolarHBondContact O-N 3.17Å; S169-L171 PolarHBondContact O-N 3.31Å; L171-M174 HydrophobicContact CD2-CE 3.76Å; L171-M174 PolarHBondContact O-N 2.77Å; L171-H175 WeakPolarHBondContact O-CB 3.42Å; L171-H175 PolarHBondContact O-N 3.13Å |
| 172 | I | 71.6 | Confident | 60.5 | Low | 65 Ų | 65 | 107.3 Ų | 107.3 | 33% | 0.333 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 176.9 | -67.5 | 165.7 | 0 | 0 | 0 | 110.9 | L153 T168 S169 H175 K176 | L153-I172 HydrophobicContact CD2-CD1 3.68Å; T168-I172 HydrophobicContact CG2-CD1 4.19Å; T168-I172 WeakPolarHBondContact O-CG1 3.25Å; T168-I172 PolarHBondContact O-N 3.02Å; S169-I172 PolarHBondContact O-N 2.95Å; I172-H175 PolarHBondContact O-N 3.3Å; I172-K176 WeakPolarHBondContact O-CB 3.48Å; I172-K176 PolarHBondContact O-N 3.46Å |
| 173 | S | 66.4 | Low | 61.4 | Low | 62 Ų | 62 | 108.1 Ų | 108.1 | 43% | 0.434 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 178.1 | -173.5 | 0 | 0 | 0 | 0 | 112.7 | S169 R170 K176 N177 | S169-S173 WeakPolarHBondContact O-CB 3.43Å; S169-S173 PolarHBondContact O-N 2.9Å; R170-S173 PolarHBondContact O-N 3.29Å; S173-K176 PolarHBondContact O-N 3.37Å; S173-N177 WeakPolarHBondContact O-CB 3.17Å; S173-N177 PolarHBondContact O-N 3.36Å; S173-N177 PolarHBondContact O-ND2 3.35Å; S173-N177 VanDerWaalsContact O-ND2 3.14Å |
| 174 | M | 65.1 | Low | 62 | Low | 106 Ų | 106 | 106.1 Ų | 106.1 | 52% | 0.522 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 173.5 | 176.7 | 168.5 | 55.4 | 0 | 0 | 111.6 | R170 L171 K176 N177 L178 | R170-M174 VanDerWaalsContact O-CB 3.25Å; R170-M174 WeakPolarHBondContact O-CB 3.26Å; R170-M174 PolarHBondContact O-N 2.86Å; L171-M174 HydrophobicContact CD2-CE 3.76Å; L171-M174 PolarHBondContact O-N 2.77Å; M174-K176 VanDerWaalsContact C-N 3.33Å; M174-K176 PolarHBondContact O-N 2.78Å; M174-N177 PolarHBondContact O-N 2.83Å; M174-L178 HydrophobicContact CG-CD1 4.36Å; M174-L178 PolarHBondContact O-N 3.08Å |
| 175 | H | 71.9 | Confident | 62.6 | Low | 112 Ų | 112 | 106 Ų | 106 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 177.8 | -166.4 | -176.7 | 0 | 0 | 0 | 111.9 | L171 I172 K179 | L171-H175 WeakPolarHBondContact O-CB 3.42Å; L171-H175 PolarHBondContact O-N 3.13Å; I172-H175 PolarHBondContact O-N 3.3Å; H175-K179 VanDerWaalsContact CD2-CE 3.42Å; H175-K179 WeakPolarHBondContact CD2-CE 3.26Å; H175-K179 WeakPolarHBondContact NE2-CE 3.4Å; H175-K179 WeakPolarHBondContact O-CG 3.27Å; H175-K179 PolarHBondContact O-N 3.16Å |
| 176 | K | 68.6 | Low | 63 | Low | 151 Ų | 151 | 106.2 Ų | 106.2 | 66% | 0.657 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.4 | -44.4 | 173.1 | -164.9 | 172.1 | -177 | 178.5 | 0 | 111.4 | I172 S173 M174 K179 T180 | I172-K176 WeakPolarHBondContact O-CB 3.48Å; I172-K176 PolarHBondContact O-N 3.46Å; S173-K176 PolarHBondContact O-N 3.37Å; M174-K176 VanDerWaalsContact C-N 3.33Å; M174-K176 PolarHBondContact O-N 2.78Å; K176-K179 PolarHBondContact O-N 2.88Å; K176-T180 PolarHBondContact O-N 2.97Å; K176-T180 VanDerWaalsContact O-N 3.12Å; K176-T180 PolarHBondContact O-OG1 3.37Å |
| 177 | N | 67.3 | Low | 63.2 | Low | 91 Ų | 91 | 110.5 Ų | 110.5 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 175.1 | -95.6 | -78.4 | 0 | 0 | 0 | 113.2 | S173 M174 K179 T180 R181 | S173-N177 WeakPolarHBondContact O-CB 3.17Å; S173-N177 PolarHBondContact O-N 3.36Å; S173-N177 PolarHBondContact O-ND2 3.35Å; S173-N177 VanDerWaalsContact O-ND2 3.14Å; M174-N177 PolarHBondContact O-N 2.83Å; N177-K179 VanDerWaalsContact C-N 3.29Å; N177-K179 PolarHBondContact O-N 3.36Å; N177-T180 PolarHBondContact O-N 3.12Å; N177-R181 PolarHBondContact O-N 3.17Å |
| 178 | L | 70.6 | Confident | 63.2 | Low | 108 Ų | 108 | 112.5 Ų | 112.5 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60 | -37.8 | 177.5 | -103.1 | 68.9 | 0 | 0 | 0 | 112.6 | M174 R181 R182 | M174-L178 HydrophobicContact CG-CD1 4.36Å; M174-L178 PolarHBondContact O-N 3.08Å; L178-R181 PolarHBondContact O-N 3.03Å; L178-R182 PolarHBondContact O-N 3.49Å; L178-R182 VanDerWaalsContact O-N 3.11Å |
| 179 | K | 69.7 | Low | 63.1 | Low | 42 Ų | 42 | 114.4 Ų | 114.4 | 18% | 0.183 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 175.4 | -70.2 | 171.7 | -170.1 | 171.8 | 0 | 112.2 | E146 H175 K176 N177 R181 R182 R183 | E146-K179 IonicContact OE1-NZ 3.18Å; E146-K179 PolarHBondContact OE1-NZ 3.1Å; E146-K179 IonicContact OE2-NZ 3.55Å; E146-K179 PolarHBondContact OE2-NZ 3.38Å; H175-K179 VanDerWaalsContact CD2-CE 3.42Å; H175-K179 WeakPolarHBondContact CD2-CE 3.26Å; H175-K179 WeakPolarHBondContact NE2-CE 3.4Å; H175-K179 WeakPolarHBondContact O-CG 3.27Å; H175-K179 PolarHBondContact O-N 3.16Å; K176-K179 PolarHBondContact O-N 2.88Å; N177-K179 VanDerWaalsContact C-N 3.29Å; N177-K179 PolarHBondContact O-N 3.36Å; K179-R181 PolarHBondContact O-N 3.37Å; K179-R182 PolarHBondContact O-N 2.96Å; K179-R183 PolarHBondContact O-N 2.84Å; K179-R183 VanDerWaalsContact O-N 3.12Å |
| 180 | T | 72.2 | Confident | 62.9 | Low | 78 Ų | 78 | 116.7 Ų | 116.7 | 48% | 0.479 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 174.8 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | K176 N177 R182 R183 Y184 | K176-T180 PolarHBondContact O-N 2.97Å; K176-T180 VanDerWaalsContact O-N 3.12Å; K176-T180 PolarHBondContact O-OG1 3.37Å; N177-T180 PolarHBondContact O-N 3.12Å; T180-R182 VanDerWaalsContact C-N 3.32Å; T180-R182 PolarHBondContact O-N 3.43Å; T180-R183 PolarHBondContact O-N 3.48Å; T180-Y184 PolarHBondContact O-N 2.9Å |
| 181 | R | 66.5 | Low | 62.5 | Low | 188 Ų | 188 | 112.1 Ų | 112.1 | 71% | 0.709 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.8 | -28.7 | 176.2 | -67.6 | -173.1 | 80.5 | -148.1 | 7.7 | 113.6 | N177 L178 K179 K185 | N177-R181 PolarHBondContact O-N 3.17Å; L178-R181 PolarHBondContact O-N 3.03Å; K179-R181 PolarHBondContact O-N 3.37Å; R181-K185 PolarHBondContact O-N 3.32Å |
| 182 | R | 64.5 | Low | 61.5 | Low | 191 Ų | 191 | 114.6 Ų | 114.6 | 72% | 0.721 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.4 | -57.5 | 169 | -79.3 | -165.4 | 178.4 | -150.3 | 1.3 | 111.3 | L178 K179 T180 Y184 K185 D186 | L178-R182 PolarHBondContact O-N 3.49Å; L178-R182 VanDerWaalsContact O-N 3.11Å; K179-R182 PolarHBondContact O-N 2.96Å; T180-R182 VanDerWaalsContact C-N 3.32Å; T180-R182 PolarHBondContact O-N 3.43Å; R182-Y184 PolarHBondContact O-N 3.08Å; R182-Y184 VanDerWaalsContact O-N 3.09Å; R182-K185 WeakPolarHBondContact O-CA 3.43Å; R182-K185 WeakPolarHBondContact O-CB 3.29Å; R182-K185 PolarHBondContact O-N 2.92Å; R182-D186 VanDerWaalsContact C-OD2 3.24Å; R182-D186 VanDerWaalsContact O-CG 3.23Å; R182-D186 PolarHBondContact O-N 2.83Å; R182-D186 VanDerWaalsContact O-OD2 3.04Å |
| 183 | R | 64.1 | Low | 60.3 | Low | 111 Ų | 111 | 118.9 Ų | 118.9 | 42% | 0.419 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.5 | -29.4 | -179.6 | -71 | -161.1 | -63.4 | -130.9 | -5 | 114 | E139 K179 T180 K187 | E139-R183 IonicContact OE1-NH1 3.42Å; E139-R183 PolarHBondContact OE1-NH1 2.73Å; E139-R183 IonicContact OE2-CZ 2.73Å; E139-R183 IonicContact OE2-NH1 3.71Å; E139-R183 PolarHBondContact OE2-NH1 3.42Å; K179-R183 PolarHBondContact O-N 2.84Å; K179-R183 VanDerWaalsContact O-N 3.12Å; T180-R183 PolarHBondContact O-N 3.48Å; R183-K187 WeakPolarHBondContact O-CB 3.42Å; R183-K187 PolarHBondContact O-N 2.76Å; R183-K187 VanDerWaalsContact O-N 3.14Å |
| 184 | Y | 57.7 | Low | 59.3 | Low | 156 Ų | 156 | 122.7 Ų | 122.7 | 61% | 0.612 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.3 | -45.4 | 171.1 | -171.3 | -89.6 | 0 | 0 | 0 | 112.3 | T180 R182 H188 | T180-Y184 PolarHBondContact O-N 2.9Å; R182-Y184 PolarHBondContact O-N 3.08Å; R182-Y184 VanDerWaalsContact O-N 3.09Å; Y184-H188 AromaticContact CE1-CD2 3.76Å; Y184-H188 AromaticContact CZ-CD2 3.75Å; Y184-H188 PolarHBondContact O-N 2.8Å |
| 185 | K | 55.2 | Low | 58.2 | Low | 154 Ų | 154 | 125.7 Ų | 125.7 | 67% | 0.67 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.5 | -49.1 | 172.9 | -83.8 | -164.1 | 167.8 | -162.4 | 0 | 111.9 | R181 R182 K187 H188 T189 | R181-K185 PolarHBondContact O-N 3.32Å; R182-K185 WeakPolarHBondContact O-CA 3.43Å; R182-K185 WeakPolarHBondContact O-CB 3.29Å; R182-K185 PolarHBondContact O-N 2.92Å; K185-K187 VanDerWaalsContact C-N 3.33Å; K185-K187 PolarHBondContact O-N 3.24Å; K185-H188 PolarHBondContact O-N 2.93Å; K185-T189 PolarHBondContact O-N 3.31Å; K185-T189 PolarHBondContact O-OG1 3.3Å |
| 186 | D | 57.7 | Low | 56.9 | Low | 89 Ų | 89 | 123.7 Ų | 123.7 | 48% | 0.476 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.4 | -43.4 | -174.6 | -56 | -38.2 | 0 | 0 | 0 | 111.1 | R182 H188 T189 Q190 | R182-D186 VanDerWaalsContact C-OD2 3.24Å; R182-D186 VanDerWaalsContact O-CG 3.23Å; R182-D186 PolarHBondContact O-N 2.83Å; R182-D186 VanDerWaalsContact O-OD2 3.04Å; D186-H188 VanDerWaalsContact C-N 3.33Å; D186-H188 PolarHBondContact O-N 2.81Å; D186-T189 PolarHBondContact O-N 3.34Å; D186-T189 PolarHBondContact O-OG1 3.33Å; D186-T189 VanDerWaalsContact O-OG1 3.06Å; D186-Q190 PolarHBondContact O-N 2.91Å |
| 187 | K | 52.9 | Low | 55.5 | Low | 167 Ų | 167 | 124.5 Ų | 124.5 | 73% | 0.726 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.1 | -36.2 | 171.9 | -86.1 | -160.9 | 169.3 | -163.1 | 0 | 113.5 | R183 K185 P191 | R183-K187 WeakPolarHBondContact O-CB 3.42Å; R183-K187 PolarHBondContact O-N 2.76Å; R183-K187 VanDerWaalsContact O-N 3.14Å; K185-K187 VanDerWaalsContact C-N 3.33Å; K185-K187 PolarHBondContact O-N 3.24Å; K187-P191 VanDerWaalsContact O-CD 3.29Å; K187-P191 WeakPolarHBondContact O-CD 3.4Å |
| 188 | H | 52.4 | Low | 54.4 | Low | 97 Ų | 97 | 127.8 Ų | 127.8 | 45% | 0.449 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -80.6 | -19.7 | -177.5 | -117.6 | -63.5 | 0 | 0 | 0 | 114.2 | Y184 K185 D186 | Y184-H188 AromaticContact CE1-CD2 3.76Å; Y184-H188 AromaticContact CZ-CD2 3.75Å; Y184-H188 PolarHBondContact O-N 2.8Å; K185-H188 PolarHBondContact O-N 2.93Å; D186-H188 VanDerWaalsContact C-N 3.33Å; D186-H188 PolarHBondContact O-N 2.81Å |
| 189 | T | 50.5 | Low | 52.8 | Low | 100 Ų | 100 | 128.3 Ų | 128.3 | 61% | 0.613 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -85.2 | -21.5 | 173.5 | 40.4 | 0 | 0 | 0 | 0 | 114 | K185 D186 | K185-T189 PolarHBondContact O-N 3.31Å; K185-T189 PolarHBondContact O-OG1 3.3Å; D186-T189 PolarHBondContact O-N 3.34Å; D186-T189 PolarHBondContact O-OG1 3.33Å; D186-T189 VanDerWaalsContact O-OG1 3.06Å |
| 190 | Q | 53.8 | Low | 50.9 | Low | 114 Ų | 114 | 134.5 Ų | 134.5 | 53% | 0.533 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -69.7 | -39.6 | -174.3 | -159.8 | 167.1 | 10.6 | 0 | 0 | 116.3 | D186 | D186-Q190 PolarHBondContact O-N 2.91Š|
| 191 | P | 50 | Low | 49.3 | Very low | 68 Ų | 68 | 136.7 Ų | 136.7 | 44% | 0.442 | 68% | 0.682 | S | S | . | * | G | 310 helix | trans | -76.4 | -28.7 | -172.2 | 27.6 | -34.2 | 0 | 0 | 0 | 114.5 | K187 N193 Q194 | K187-P191 VanDerWaalsContact O-CD 3.29Å; K187-P191 WeakPolarHBondContact O-CD 3.4Å; P191-N193 PolarHBondContact O-N 2.9Å; P191-Q194 PolarHBondContact O-N 3.28Å |
| 192 | K | 43.5 | Very low | 47.6 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 68% | 0.683 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -67.5 | -11.8 | -170 | -87.9 | -162.8 | 169.1 | -166.6 | 0 | 116 | ||
| 193 | N | 45.3 | Very low | 46.6 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 82% | 0.824 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -93.9 | -2.6 | 179.6 | -78.7 | 19.5 | 0 | 0 | 0 | 114.1 | P191 | P191-N193 PolarHBondContact O-N 2.9Š|
| 194 | Q | 46.1 | Very low | 44.9 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -20.5 | -174.1 | -157.7 | 164.4 | 24 | 0 | 0 | 114.3 | P191 | P191-Q194 PolarHBondContact O-N 3.28Š|
| 195 | E | 41.7 | Very low | 44.2 | Very low | 168 Ų | 168 | 127 Ų | 127 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -91.6 | -4.9 | -172.7 | -59 | -178.2 | 141.7 | 0 | 0 | 114 | ||
| 196 | G | 45.2 | Very low | 43 | Very low | 70 Ų | 70 | 122.9 Ų | 122.9 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -88.6 | 2.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 197 | L | 38.4 | Very low | 41.7 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 88% | 0.88 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -136.2 | 18.2 | -167.9 | -84 | 174.6 | 0 | 0 | 0 | 116.1 | ||
| 198 | L | 43.8 | Very low | 40.6 | Very low | 160 Ų | 160 | 125.6 Ų | 125.6 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | trans | -134.8 | 73.5 | 178.5 | -71.3 | 176 | 0 | 0 | 0 | 113.3 | ||||
| 199 | S | 37.5 | Very low | 39.4 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -169.1 | 89.2 | 157.3 | -85.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 200 | L | 29 | Very low | 38.3 | Very low | 171 Ų | 171 | 129 Ų | 129 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -146.7 | 124.5 | 150.7 | -81.7 | -176 | 0 | 0 | 0 | 108.8 | ||||
| 201 | P | 40.4 | Very low | 38 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83 | 144.8 | 177.7 | 32.8 | -33.6 | 0 | 0 | 0 | 112.2 | ||
| 202 | G | 30.4 | Very low | 36.9 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 146.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 203 | P | 43.6 | Very low | 36.1 | Very low | 134 Ų | 134 | 131 Ų | 131 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 157.4 | -172.6 | 35.1 | -36.4 | 0 | 0 | 0 | 114.5 | ||
| 204 | A | 28.6 | Very low | 35.2 | Very low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -129.3 | 157.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 205 | P | 42.2 | Very low | 34.3 | Very low | 139 Ų | 139 | 130.7 Ų | 130.7 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | trans | -87 | 142.2 | -150.1 | 32.3 | -36.4 | 0 | 0 | 0 | 115.3 | ||||
| 206 | G | 29.8 | Very low | 34.3 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | 177.1 | 110.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 207 | Q | 29.8 | Very low | 34.4 | Very low | 211 Ų | 211 | 130.4 Ų | 130.4 | 99% | 0.986 | 83% | 0.828 | S | S | * | * | trans | 67.4 | 156.4 | 158.5 | -53.9 | -170.9 | 6.3 | 0 | 0 | 118.4 | ||||
| 208 | A | 30.1 | Very low | 34.4 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -112.5 | 147 | -161.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 209 | A | 27.7 | Very low | 33.9 | Very low | 99 Ų | 99 | 124 Ų | 124 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -162.7 | 142.2 | 138.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 210 | L | 28.2 | Very low | 33.7 | Very low | 168 Ų | 168 | 122.2 Ų | 122.2 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | -127.8 | 168.1 | 163 | -76.8 | 176.5 | 0 | 0 | 0 | 107 | ||||
| 211 | P | 45.9 | Very low | 33.9 | Very low | 126 Ų | 126 | 121 Ų | 121 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | cis | -126.5 | 178 | -25.7 | 33.3 | -16 | 0 | 0 | 0 | 112 | ||||
| 212 | G | 27.1 | Very low | 34 | Very low | 73 Ų | 73 | 117.7 Ų | 117.7 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -173.8 | 82.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 213 | Q | 27.4 | Very low | 34.9 | Very low | 184 Ų | 184 | 119.5 Ų | 119.5 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | 31.9 | 123.3 | 143.2 | -58.5 | -76.5 | 61.3 | 0 | 0 | 121.1 | ||||
| 214 | T | 26.6 | Very low | 35.3 | Very low | 133 Ų | 133 | 116.2 Ų | 116.2 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | 145.6 | 139.3 | 115.4 | -43.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 215 | L | 26.8 | Very low | 36.1 | Very low | 156 Ų | 156 | 116.2 Ų | 116.2 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | trans | -85.9 | -167.4 | 169.5 | -65.7 | 93.7 | 0 | 0 | 0 | 110.7 | ||||
| 216 | P | 41.1 | Very low | 36.6 | Very low | 112 Ų | 112 | 115.1 Ų | 115.1 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | cis | -119 | -174.4 | -26.1 | 14.5 | 11.5 | 0 | 0 | 0 | 111.4 | ||||
| 217 | P | 47.7 | Very low | 37.4 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -90.9 | 148.1 | -179.6 | 35.3 | -35.4 | 0 | 0 | 0 | 114.8 | ||||
| 218 | P | 39 | Very low | 38.1 | Very low | 125 Ų | 125 | 113.7 Ų | 113.7 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | trans | -83 | 153.1 | 136.2 | 35.2 | -28.8 | 0 | 0 | 0 | 109 | ||||
| 219 | G | 32.6 | Very low | 38.9 | Very low | 68 Ų | 68 | 114.4 Ų | 114.4 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | cis | 137.5 | 97.4 | 16.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 220 | G | 32.9 | Very low | 39.7 | Very low | 83 Ų | 83 | 117.6 Ų | 117.6 | 86% | 0.856 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -72 | 135.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 221 | L | 34.3 | Very low | 40.4 | Very low | 145 Ų | 145 | 116.3 Ų | 116.3 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 152.5 | 170 | -58.5 | -174.8 | 0 | 0 | 0 | 111.2 | ||
| 222 | S | 42.7 | Very low | 40.1 | Very low | 55 Ų | 55 | 115 Ų | 115 | 39% | 0.385 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -90.7 | 158.8 | -166.6 | 73.5 | 0 | 0 | 0 | 0 | 113.4 | A224 E225 | S222-A224 PolarHBondContact O-N 3.46Å; S222-E225 WeakPolarHBondContact CB-OE2 3.2Å; S222-E225 PolarHBondContact N-OE2 3.47Å; S222-E225 PolarHBondContact O-N 3.22Å; S222-E225 PolarHBondContact OG-OE2 3.13Å |
| 223 | P | 49.5 | Very low | 40.7 | Very low | 113 Ų | 113 | 117.7 Ų | 117.7 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -7.9 | 175.2 | -25.3 | 35.7 | 0 | 0 | 0 | 115.8 | ||
| 224 | A | 50.4 | Low | 41.3 | Very low | 65 Ų | 65 | 114.7 Ų | 114.7 | 54% | 0.537 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.8 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | S222 L226 Q227 Q228 | S222-A224 PolarHBondContact O-N 3.46Å; A224-L226 VanDerWaalsContact C-N 3.31Å; A224-L226 PolarHBondContact O-N 3.19Å; A224-Q227 PolarHBondContact O-N 2.78Å; A224-Q228 PolarHBondContact O-N 3.49Å |
| 225 | E | 46.9 | Very low | 41.6 | Very low | 94 Ų | 94 | 111.1 Ų | 111.1 | 44% | 0.439 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -66.4 | -34.9 | -174.4 | -69.4 | 152.6 | 98.6 | 0 | 0 | 111.7 | S222 Q227 Q228 L229 | S222-E225 WeakPolarHBondContact CB-OE2 3.2Å; S222-E225 PolarHBondContact N-OE2 3.47Å; S222-E225 PolarHBondContact O-N 3.22Å; S222-E225 PolarHBondContact OG-OE2 3.13Å; E225-Q227 PolarHBondContact O-N 3.23Å; E225-Q228 PolarHBondContact O-N 2.73Å; E225-L229 PolarHBondContact O-N 3.29Å |
| 226 | L | 52.5 | Low | 41.9 | Very low | 116 Ų | 116 | 110.9 Ų | 110.9 | 61% | 0.607 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.4 | -19.8 | 175.7 | -146 | 83.1 | 0 | 0 | 0 | 113.6 | A224 | A224-L226 VanDerWaalsContact C-N 3.31Å; A224-L226 PolarHBondContact O-N 3.19Å |
| 227 | Q | 46 | Very low | 41.3 | Very low | 148 Ų | 148 | 109.3 Ų | 109.3 | 69% | 0.692 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -85.3 | -27.6 | 173.5 | -65.2 | -171.4 | 32.3 | 0 | 0 | 112.5 | A224 E225 | A224-Q227 PolarHBondContact O-N 2.78Å; E225-Q227 PolarHBondContact O-N 3.23Å |
| 228 | Q | 43.9 | Very low | 40.4 | Very low | 102 Ų | 102 | 107.4 Ų | 107.4 | 48% | 0.477 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -69 | -42.7 | 176 | -168.9 | 60.3 | 32.4 | 0 | 0 | 110.9 | A224 E225 W230 K231 | A224-Q228 PolarHBondContact O-N 3.49Å; E225-Q228 PolarHBondContact O-N 2.73Å; Q228-W230 PolarHBondContact O-N 3.24Å; Q228-W230 VanDerWaalsContact O-N 3.14Å; Q228-K231 WeakPolarHBondContact O-CB 3.39Å; Q228-K231 PolarHBondContact O-N 3.42Å |
| 229 | L | 47.3 | Very low | 40 | Very low | 116 Ų | 116 | 105.6 Ų | 105.6 | 61% | 0.607 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -58.8 | -29.2 | 178 | -156.6 | 76 | 0 | 0 | 0 | 113.5 | E225 K231 V233 | E225-L229 PolarHBondContact O-N 3.29Å; L229-K231 VanDerWaalsContact C-N 3.34Å; L229-V233 WeakPolarHBondContact O-CG2 3.5Å |
| 230 | W | 43.9 | Very low | 39.8 | Very low | 166 Ų | 166 | 106.2 Ų | 106.2 | 63% | 0.629 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -79.7 | -10.6 | 176.6 | -86.1 | 74.3 | 0 | 0 | 0 | 114.5 | Q228 | Q228-W230 PolarHBondContact O-N 3.24Å; Q228-W230 VanDerWaalsContact O-N 3.14Å |
| 231 | K | 43.9 | Very low | 39.5 | Very low | 142 Ų | 142 | 106.3 Ų | 106.3 | 62% | 0.617 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -81.2 | -45.7 | 171.5 | -107.9 | 174.8 | 173.8 | 179.8 | 0 | 111.1 | Q228 L229 V233 T234 | Q228-K231 WeakPolarHBondContact O-CB 3.39Å; Q228-K231 PolarHBondContact O-N 3.42Å; L229-K231 VanDerWaalsContact C-N 3.34Å; K231-V233 PolarHBondContact O-N 3.21Å; K231-T234 PolarHBondContact O-N 3.19Å; K231-T234 VanDerWaalsContact O-N 3.15Å; K231-T234 PolarHBondContact O-OG1 3Å |
| 232 | D | 38.9 | Very low | 39.2 | Very low | 99 Ų | 99 | 103 Ų | 103 | 53% | 0.529 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -74.9 | -25.7 | -168.4 | -56.4 | -24.8 | 0 | 0 | 0 | 112.6 | T234 G235 | D232-T234 PolarHBondContact O-N 3Å; D232-G235 PolarHBondContact O-N 3.37Å |
| 233 | V | 39.4 | Very low | 38.4 | Very low | 128 Ų | 128 | 103.7 Ų | 103.7 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -20.9 | 172.3 | 173.2 | 0 | 0 | 0 | 0 | 113 | L229 K231 | L229-V233 WeakPolarHBondContact O-CG2 3.5Å; K231-V233 PolarHBondContact O-N 3.21Å |
| 234 | T | 40.6 | Very low | 37.4 | Very low | 122 Ų | 122 | 107.9 Ų | 107.9 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 12.3 | 179.1 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | K231 D232 | K231-T234 PolarHBondContact O-N 3.19Å; K231-T234 VanDerWaalsContact O-N 3.15Å; K231-T234 PolarHBondContact O-OG1 3Å; D232-T234 PolarHBondContact O-N 3Å |
| 235 | G | 32.4 | Very low | 36.3 | Very low | 58 Ų | 58 | 108.4 Ų | 108.4 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | trans | -148 | 52 | -163.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | D232 | D232-G235 PolarHBondContact O-N 3.37Š| ||
| 236 | V | 34.1 | Very low | 35.5 | Very low | 150 Ų | 150 | 111.6 Ų | 111.6 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | trans | -127.6 | 114.5 | 159.9 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 237 | G | 28.6 | Very low | 34.5 | Very low | 79 Ų | 79 | 114.4 Ų | 114.4 | 81% | 0.814 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -167.6 | 11.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 238 | G | 29 | Very low | 33.7 | Very low | 82 Ų | 82 | 114.1 Ų | 114.1 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | trans | 74.6 | 134.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 239 | G | 29.6 | Very low | 33.1 | Very low | 87 Ų | 87 | 115 Ų | 115 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | cis | 129.1 | 106.1 | -9.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 240 | G | 28.1 | Very low | 32.2 | Very low | 80 Ų | 80 | 112.7 Ų | 112.7 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | 132.9 | 115.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 241 | G | 27.6 | Very low | 31.7 | Very low | 86 Ų | 86 | 111.1 Ų | 111.1 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | trans | 84.3 | 148 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 242 | G | 27.6 | Very low | 31.1 | Very low | 75 Ų | 75 | 113 Ų | 113 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | cis | 172.7 | 16.4 | -2.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 243 | G | 26.6 | Very low | 30.7 | Very low | 70 Ų | 70 | 116.2 Ų | 116.2 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 73.1 | 141.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 244 | H | 28 | Very low | 30.1 | Very low | 200 Ų | 200 | 115.5 Ų | 115.5 | 93% | 0.926 | 78% | 0.777 | S | S | * | * | 178.3 | 163.8 | 125 | -99.2 | -78.1 | 0 | 0 | 0 | 110.5 | |||||
| 245 | A | 27.5 | Very low | 29.5 | Very low | 77 Ų | 77 | 113.8 Ų | 113.8 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -85 | 175.4 | -156 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 246 | M | 30.6 | Very low | 29.2 | Very low | 161 Ų | 161 | 114.9 Ų | 114.9 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | 81.6 | 110.6 | 145.2 | -73.5 | 149.3 | 172.3 | 0 | 0 | 122 | ||||
| 247 | E | 30.2 | Very low | 28.8 | Very low | 174 Ų | 174 | 111.7 Ų | 111.7 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | 66.4 | 123.9 | 117.8 | -67.3 | -179.2 | 116.9 | 0 | 0 | 124.5 | |||||
| 248 | D | 29.3 | Very low | 28.8 | Very low | 142 Ų | 142 | 111.3 Ų | 111.3 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | 103.8 | 143.1 | 127.4 | -160.1 | -132.8 | 0 | 0 | 0 | 123.5 | |||||
| 249 | N | 31.8 | Very low | 28.8 | Very low | 121 Ų | 121 | 115.6 Ų | 115.6 | 65% | 0.647 | 79% | 0.791 | S | S | * | * | trans | 68.5 | 157.4 | 157 | -108.6 | -57 | 0 | 0 | 0 | 122.7 | I251 | N249-I251 WeakPolarHBondContact OD1-CD1 3.46Š| ||
| 250 | G | 27.7 | Very low | 28.9 | Very low | 67 Ų | 67 | 115.1 Ų | 115.1 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 169.8 | -28.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 251 | I | 33.3 | Very low | 29.1 | Very low | 133 Ų | 133 | 116.2 Ų | 116.2 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | trans | 44.4 | 122.6 | 157.7 | -61.6 | 172.1 | 0 | 0 | 0 | 121.1 | N249 | N249-I251 WeakPolarHBondContact OD1-CD1 3.46Š| ||
| 252 | K | 31.6 | Very low | 29.3 | Very low | 183 Ų | 183 | 118.2 Ų | 118.2 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 76.9 | 117.9 | 150.6 | -82.6 | 173.8 | 177.4 | 178 | 0 | 124.2 | ||||
| 253 | H | 30.3 | Very low | 29.5 | Very low | 165 Ų | 165 | 120.8 Ų | 120.8 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | 51.7 | 119.2 | 113.6 | -79.7 | -91.5 | 0 | 0 | 0 | 124.2 | |||||
| 254 | S | 28.6 | Very low | 29.7 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | 67.3 | 128 | 120.8 | -56.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 255 | G | 27.6 | Very low | 29.7 | Very low | 86 Ų | 86 | 117.1 Ų | 117.1 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | 119.2 | 151.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 256 | G | 26.4 | Very low | 29.8 | Very low | 82 Ų | 82 | 120.5 Ų | 120.5 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | cis | 164.9 | 48.8 | -6.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 257 | G | 25.8 | Very low | 29.7 | Very low | 82 Ų | 82 | 116.5 Ų | 116.5 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | 78.7 | 143.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 258 | G | 28.1 | Very low | 29.7 | Very low | 72 Ų | 72 | 115 Ų | 115 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | 83.8 | 161.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 259 | I | 29.6 | Very low | 29.8 | Very low | 172 Ų | 172 | 114.6 Ų | 114.6 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | cis | -162.1 | 144.3 | -11.7 | 34.9 | 166.2 | 0 | 0 | 0 | 110.5 | ||||
| 260 | G | 30.1 | Very low | 29.8 | Very low | 76 Ų | 76 | 113.6 Ų | 113.6 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | 70.7 | 174 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 261 | S | 32.3 | Very low | 30 | Very low | 104 Ų | 104 | 116.4 Ų | 116.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -168.8 | 135.3 | -14.5 | -150.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 262 | V | 32.2 | Very low | 29.7 | Very low | 128 Ų | 128 | 113.1 Ų | 113.1 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 53.1 | 169.7 | 154.2 | -55.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 263 | N | 31.1 | Very low | 29.8 | Very low | 129 Ų | 129 | 111.9 Ų | 111.9 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | cis | -159.2 | 158.9 | 6.8 | -144.9 | 10.7 | 0 | 0 | 0 | 115.5 | ||||
| 264 | T | 30.8 | Very low | 29.8 | Very low | 126 Ų | 126 | 109.6 Ų | 109.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 52.9 | 141.8 | 146.8 | 46.5 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 265 | G | 28.9 | Very low | 29.9 | Very low | 66 Ų | 66 | 111.1 Ų | 111.1 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | 140.6 | 70.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 266 | T | 29.4 | Very low | 29.9 | Very low | 149 Ų | 149 | 111.7 Ų | 111.7 | 91% | 0.914 | 77% | 0.774 | S | S | * | * | 50.6 | 113 | 97.4 | 62.2 | 0 | 0 | 0 | 0 | 119 | |||||
| 267 | G | 28.2 | Very low | 30.1 | Very low | 77 Ų | 77 | 114.2 Ų | 114.2 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 178.6 | 149.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 268 | V | 30.7 | Very low | 30.3 | Very low | 141 Ų | 141 | 118.2 Ų | 118.2 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -139.3 | 131.7 | -166.1 | 175.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 269 | V | 31.3 | Very low | 30.5 | Very low | 134 Ų | 134 | 121.5 Ų | 121.5 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | 171.7 | 146.7 | 141.7 | -86.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 270 | S | 32.8 | Very low | 30.6 | Very low | 101 Ų | 101 | 117.6 Ų | 117.6 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | cis | -158.7 | 158.8 | -10.2 | -90.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 271 | S | 31 | Very low | 30.6 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | trans | 31.5 | 131.2 | 154.6 | -47.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 272 | G | 27.5 | Very low | 30.5 | Very low | 63 Ų | 63 | 119.9 Ų | 119.9 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | cis | -174.5 | 144.9 | -2.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 273 | L | 34.3 | Very low | 30.3 | Very low | 157 Ų | 157 | 119.9 Ų | 119.9 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | 66.6 | 129.7 | 100.2 | -53.1 | -165.8 | 0 | 0 | 0 | 113.9 | |||||
| 274 | D | 28.5 | Very low | 30.2 | Very low | 117 Ų | 117 | 119.6 Ų | 119.6 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | cis | -157.3 | 144.7 | 9.5 | -106.9 | -17 | 0 | 0 | 0 | 114.3 | ||||
| 275 | L | 32.3 | Very low | 30.1 | Very low | 146 Ų | 146 | 118.4 Ų | 118.4 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | 48.1 | 156.8 | 125.6 | -58.7 | 174.2 | 0 | 0 | 0 | 122.3 | |||||
| 276 | S | 27.2 | Very low | 30 | Very low | 97 Ų | 97 | 120.8 Ų | 120.8 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | cis | -156.7 | 150 | 6.1 | -140 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 277 | T | 30.1 | Very low | 30.1 | Very low | 135 Ų | 135 | 119.7 Ų | 119.7 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | trans | -147.3 | 130.6 | 158.2 | -55.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 278 | N | 29.8 | Very low | 30.2 | Very low | 167 Ų | 167 | 123.3 Ų | 123.3 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -161.8 | 169.7 | 164.3 | -116.1 | -33.2 | 0 | 0 | 0 | 114.3 | ||||
| 279 | N | 32.8 | Very low | 30.9 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -136 | 157.9 | -165.4 | 173.4 | 37.5 | 0 | 0 | 0 | 112.1 | ||||
| 280 | S | 30.8 | Very low | 30.7 | Very low | 89 Ų | 89 | 119.7 Ų | 119.7 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | trans | 123.9 | 143.4 | 142.4 | -49 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 281 | T | 29.7 | Very low | 30.5 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | trans | 109.8 | 112 | 141.6 | -32.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 282 | S | 30.8 | Very low | 30.3 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | -3.4 | 146.5 | 149.8 | -43.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 283 | T | 27.9 | Very low | 30.2 | Very low | 128 Ų | 128 | 126 Ų | 126 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | 166.2 | 145.2 | 105.1 | 45.6 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 284 | T | 28.4 | Very low | 30.9 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | 58.6 | 140.9 | 143.3 | 53 | 0 | 0 | 0 | 0 | 128.1 | ||||
| 285 | S | 28.8 | Very low | 31.5 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | 76.4 | 98.6 | 138.1 | 57.1 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 286 | S | 28.4 | Very low | 31.2 | Very low | 115 Ų | 115 | 125 Ų | 125 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | 34.4 | 127.6 | 125.7 | 62.5 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 287 | S | 30.1 | Very low | 31.3 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 88% | 0.881 | 77% | 0.773 | S | S | * | * | trans | -166 | 168.3 | 131.4 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 288 | N | 30.1 | Very low | 31.2 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -157 | 152.7 | -178.9 | -144.1 | -7.6 | 0 | 0 | 0 | 107 | ||||
| 289 | P | 45.2 | Very low | 31.2 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | -161.4 | 173.7 | 76.3 | 44.1 | -23.4 | 0 | 0 | 0 | 119.6 | |||||
| 290 | A | 28.7 | Very low | 30.9 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 87.1 | 116.9 | 137.4 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 291 | K | 28.4 | Very low | 30.9 | Very low | 208 Ų | 208 | 126.4 Ų | 126.4 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | 100.9 | 146.8 | 133.1 | -83.2 | -179.2 | 174.3 | -178.8 | 0 | 122.2 | ||||
| 292 | A | 27.2 | Very low | 30.7 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 84.7 | 143.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 293 | S | 25.6 | Very low | 30.6 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -172.4 | 174.7 | -178.6 | -42.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 294 | P | 47.5 | Very low | 30.9 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | cis | -124.3 | -143.1 | -17.9 | 44.7 | -27.8 | 0 | 0 | 0 | 108.7 | ||||
| 295 | P | 41.8 | Very low | 31 | Very low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | cis | -121.8 | 170.6 | -35.4 | 37.5 | -23.5 | 0 | 0 | 0 | 113.2 | ||||
| 296 | I | 26.8 | Very low | 31 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | 176.6 | 154.9 | 130.1 | -92.3 | 159.3 | 0 | 0 | 0 | 110.3 | ||||
| 297 | S | 29.3 | Very low | 31.3 | Very low | 83 Ų | 83 | 130.1 Ų | 130.1 | 58% | 0.58 | 78% | 0.781 | S | S | * | * | trans | -49.9 | 139.4 | -176 | 175.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 298 | H | 28 | Very low | 31.7 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 73% | 0.731 | 78% | 0.776 | S | S | * | * | -178.6 | 163.7 | 107.3 | -91.7 | -69.5 | 0 | 0 | 0 | 112.9 | |||||
| 299 | H | 28.9 | Very low | 32.4 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | -24.1 | 152.2 | 175.1 | -48.3 | -77.5 | 0 | 0 | 0 | 118.6 | ||||
| 300 | A | 26.4 | Very low | 32 | Very low | 85 Ų | 85 | 131.2 Ų | 131.2 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | cis | -173.3 | -157 | -10.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 301 | I | 31.2 | Very low | 32.4 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | cis | -154.1 | 151.6 | 5.7 | -35.5 | 156.2 | 0 | 0 | 0 | 107.4 | ||||
| 302 | T | 25.3 | Very low | 33 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | trans | -154.1 | 119.8 | 152.4 | 177.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 303 | N | 29.6 | Very low | 33.7 | Very low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | trans | 3.2 | 122.2 | 155.1 | -158.8 | 14.9 | 0 | 0 | 0 | 120.5 | ||||
| 304 | G | 33.9 | Very low | 34.5 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | trans | 158 | 123.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 305 | Q | 29.7 | Very low | 34.4 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | trans | 66 | 101.6 | 160.9 | -59.6 | -175.5 | -0.6 | 0 | 0 | 120.4 | ||||
| 306 | S | 30.1 | Very low | 34.4 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | trans | -3.2 | 124.2 | 150 | 54.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 307 | P | 34.5 | Very low | 35.2 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | trans | -97.9 | 105 | 167.5 | 35 | -28.7 | 0 | 0 | 0 | 112.8 | ||||
| 308 | I | 38.3 | Very low | 36 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | -119.1 | -6.4 | 171.9 | -73.6 | -179.8 | 0 | 0 | 0 | 112.8 | ||||
| 309 | L | 43.3 | Very low | 36.8 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -100 | -12.3 | -170.3 | -61.4 | 179.8 | 0 | 0 | 0 | 116.1 | ||
| 310 | N | 37 | Very low | 37.3 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 67% | 0.668 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -74.3 | -43.2 | -175.6 | -74.9 | -14.3 | 0 | 0 | 0 | 113.7 | R312 R313 E314 | N310-R312 PolarHBondContact O-N 3.41Å; N310-R313 PolarHBondContact O-N 3.48Å; N310-E314 PolarHBondContact O-N 3.27Å |
| 311 | H | 37.9 | Very low | 38 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -62.6 | -14.5 | -178 | -73.4 | -40.3 | 0 | 0 | 0 | 115 | E314 R315 | H311-E314 IonicContact CE1-OE2 3.36Å; H311-E314 IonicContact ND1-OE2 2.73Å; H311-E314 PolarHBondContact ND1-OE2 3.11Å; H311-R315 WeakPolarHBondContact O-CB 3.29Å; H311-R315 PolarHBondContact O-N 3.27Å |
| 312 | R | 41.9 | Very low | 38.6 | Very low | 187 Ų | 187 | 145 Ų | 145 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -74.6 | -49.5 | 173.9 | -174.6 | 173.2 | 178.4 | 160.4 | 3 | 111.7 | N310 E314 R315 E316 | N310-R312 PolarHBondContact O-N 3.41Å; R312-E314 VanDerWaalsContact C-N 3.32Å; R312-E314 PolarHBondContact O-N 2.84Å; R312-R315 PolarHBondContact O-N 3.44Å; R312-E316 IonicContact NE-OE1 2.93Å; R312-E316 PolarHBondContact NE-OE1 3.44Å; R312-E316 WeakPolarHBondContact O-CG 3.48Å; R312-E316 PolarHBondContact O-N 2.95Å; R312-E316 VanDerWaalsContact O-N 3.08Å |
| 313 | R | 41.7 | Very low | 39.1 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -72.6 | -25.7 | -178.9 | 174.9 | 169.8 | -92.6 | -163.3 | -8.5 | 112.8 | N310 R317 | N310-R313 PolarHBondContact O-N 3.48Å; R313-R317 PolarHBondContact O-N 3.41Å |
| 314 | E | 41.1 | Very low | 39.3 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 52% | 0.523 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -67.1 | -50.1 | 172.1 | -166.3 | 162.8 | -123.9 | 0 | 0 | 110.9 | N310 H311 R312 E316 R317 E318 | N310-E314 PolarHBondContact O-N 3.27Å; H311-E314 IonicContact CE1-OE2 3.36Å; H311-E314 IonicContact ND1-OE2 2.73Å; H311-E314 PolarHBondContact ND1-OE2 3.11Å; R312-E314 VanDerWaalsContact C-N 3.32Å; R312-E314 PolarHBondContact O-N 2.84Å; E314-E316 VanDerWaalsContact C-N 3.34Å; E314-E316 PolarHBondContact O-N 3Å; E314-R317 WeakPolarHBondContact O-CB 3.35Å; E314-R317 PolarHBondContact O-N 3.21Å; E314-R317 VanDerWaalsContact O-N 3.1Å; E314-E318 PolarHBondContact O-N 3.26Å |
| 315 | R | 44.8 | Very low | 39.1 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 65% | 0.653 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -66.9 | -28.5 | 177.6 | -173.4 | 171.8 | -65.6 | -147.6 | -4.8 | 114.5 | H311 R312 R319 | H311-R315 WeakPolarHBondContact O-CB 3.29Å; H311-R315 PolarHBondContact O-N 3.27Å; R312-R315 PolarHBondContact O-N 3.44Å; R315-R319 PolarHBondContact O-N 2.85Å |
| 316 | E | 43.3 | Very low | 39.4 | Very low | 89 Ų | 89 | 143.2 Ų | 143.2 | 42% | 0.416 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -65.4 | -39.4 | 171.4 | -77.7 | 161.7 | 175.7 | 0 | 0 | 110.7 | R312 E314 R319 E320 | R312-E316 IonicContact NE-OE1 2.93Å; R312-E316 PolarHBondContact NE-OE1 3.44Å; R312-E316 WeakPolarHBondContact O-CG 3.48Å; R312-E316 PolarHBondContact O-N 2.95Å; R312-E316 VanDerWaalsContact O-N 3.08Å; E314-E316 VanDerWaalsContact C-N 3.34Å; E314-E316 PolarHBondContact O-N 3Å; E316-R319 PolarHBondContact O-N 3.4Å; E316-E320 WeakPolarHBondContact O-CG 3.42Å; E316-E320 PolarHBondContact O-N 3.46Å |
| 317 | R | 43.1 | Very low | 39.8 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 63% | 0.63 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -72.7 | -27.4 | 176.9 | -72.8 | 174.3 | 166.9 | -172.8 | -6.7 | 114.6 | R313 E314 R321 | R313-R317 PolarHBondContact O-N 3.41Å; E314-R317 WeakPolarHBondContact O-CB 3.35Å; E314-R317 PolarHBondContact O-N 3.21Å; E314-R317 VanDerWaalsContact O-N 3.1Å; R317-R321 PolarHBondContact O-N 3.49Å |
| 318 | E | 45.1 | Very low | 39.5 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 55% | 0.547 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -65.2 | -44.9 | 168.9 | -67.7 | 177.7 | 129.3 | 0 | 0 | 110.5 | E314 E320 R321 E322 | E314-E318 PolarHBondContact O-N 3.26Å; E318-E320 PolarHBondContact O-N 3.18Å; E318-R321 WeakPolarHBondContact O-CB 3.39Å; E318-R321 PolarHBondContact O-N 3.15Å; E318-R321 VanDerWaalsContact O-N 3.08Å; E318-E322 PolarHBondContact O-N 3Å |
| 319 | R | 46.4 | Very low | 39.5 | Very low | 178 Ų | 178 | 150 Ų | 150 | 67% | 0.672 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -65.2 | -35.9 | 176.2 | -80.9 | -177.7 | 162.2 | -112.5 | -11.4 | 113.8 | R315 E316 R321 E322 S323 | R315-R319 PolarHBondContact O-N 2.85Å; E316-R319 PolarHBondContact O-N 3.4Å; R319-R321 PolarHBondContact O-N 2.81Å; R319-E322 PolarHBondContact O-N 2.85Å; R319-S323 VanDerWaalsContact O-CB 3.26Å; R319-S323 WeakPolarHBondContact O-CB 3.48Å; R319-S323 PolarHBondContact O-N 3.15Å |
| 320 | E | 38.1 | Very low | 39.6 | Very low | 135 Ų | 135 | 151.2 Ų | 151.2 | 63% | 0.631 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -65.8 | -23.4 | 173.4 | -71.9 | 173.3 | 156.9 | 0 | 0 | 112.4 | E316 E318 | E316-E320 WeakPolarHBondContact O-CG 3.42Å; E316-E320 PolarHBondContact O-N 3.46Å; E318-E320 PolarHBondContact O-N 3.18Å |
| 321 | R | 42.8 | Very low | 39.6 | Very low | 218 Ų | 218 | 150.3 Ų | 150.3 | 82% | 0.823 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -79.5 | -41.3 | 169 | -90.4 | -177.1 | 174.1 | -90.6 | -1.3 | 113.4 | R317 E318 R319 S323 | R317-R321 PolarHBondContact O-N 3.49Å; E318-R321 WeakPolarHBondContact O-CB 3.39Å; E318-R321 PolarHBondContact O-N 3.15Å; E318-R321 VanDerWaalsContact O-N 3.08Å; R319-R321 PolarHBondContact O-N 2.81Å; R321-S323 VanDerWaalsContact C-N 3.3Å; R321-S323 PolarHBondContact O-N 3.03Å |
| 322 | E | 42.4 | Very low | 39.8 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68.4 | -28.3 | 176.8 | -68.4 | -176.2 | 129.4 | 0 | 0 | 112.8 | E318 R319 H324 | E318-E322 PolarHBondContact O-N 3Å; R319-E322 PolarHBondContact O-N 2.85Å; E322-H324 VanDerWaalsContact C-N 3.34Å; E322-H324 PolarHBondContact O-N 3.16Å |
| 323 | S | 36.2 | Very low | 40.2 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 66% | 0.657 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 0.8 | -174.3 | -167.2 | 0 | 0 | 0 | 0 | 115 | R319 R321 | R319-S323 VanDerWaalsContact O-CB 3.26Å; R319-S323 WeakPolarHBondContact O-CB 3.48Å; R319-S323 PolarHBondContact O-N 3.15Å; R321-S323 VanDerWaalsContact C-N 3.3Å; R321-S323 PolarHBondContact O-N 3.03Å |
| 324 | H | 33 | Very low | 40.7 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.806 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 8.5 | -174.3 | -126.2 | -71.4 | 0 | 0 | 0 | 114.5 | E322 | E322-H324 VanDerWaalsContact C-N 3.34Å; E322-H324 PolarHBondContact O-N 3.16Å |
| 325 | D | 31 | Very low | 42 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | trans | -113.5 | 64.6 | -177 | -169.5 | 32.8 | 0 | 0 | 0 | 111.6 | ||||
| 326 | S | 34.8 | Very low | 43.6 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -157 | 16.3 | 177.1 | 43.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 327 | L | 39.5 | Very low | 45.1 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 91% | 0.906 | 68% | 0.681 | S | S | * | * | trans | -142 | 68 | 172 | -74.5 | 179 | 0 | 0 | 0 | 111.2 | ||||
| 328 | H | 28.3 | Very low | 46.8 | Very low | 164 Ų | 164 | 124.6 Ų | 124.6 | 76% | 0.759 | 66% | 0.658 | S | S | * | * | trans | -146.3 | 113.4 | 160.4 | -156.8 | -75.3 | 0 | 0 | 0 | 110 | ||||
| 329 | E | 38.3 | Very low | 48.3 | Very low | 175 Ų | 175 | 119.8 Ų | 119.8 | 82% | 0.818 | 64% | 0.639 | S | S | * | * | trans | -71.4 | 152.3 | 166.3 | -73.4 | -85.8 | 103.8 | 0 | 0 | 109.7 | ||||
| 330 | E | 44.5 | Very low | 49.6 | Very low | 169 Ų | 169 | 120.1 Ų | 120.1 | 79% | 0.79 | 65% | 0.648 | S | S | * | * | trans | 57.3 | 81.9 | 160.4 | -120.6 | -69.3 | 78.9 | 0 | 0 | 117.4 | ||||
| 331 | S | 37.2 | Very low | 51.5 | Low | 107 Ų | 107 | 114.7 Ų | 114.7 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | trans | -161.7 | 152.3 | 150.8 | -91.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 332 | G | 41.5 | Very low | 53.3 | Low | 65 Ų | 65 | 106.2 Ų | 106.2 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | trans | -66.6 | 151.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | T334 | G332-T334 PolarHBondContact O-N 3.24Å; G332-T334 VanDerWaalsContact O-N 3.16Å | ||
| 333 | G | 50.9 | Low | 55.3 | Low | 50 Ų | 50 | 99.1 Ų | 99.1 | 52% | 0.515 | 57% | 0.568 | S | S | . | * | trans | -64.4 | 107.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | F355 | G333-F355 VanDerWaalsContact O-CD2 3.29Å; G333-F355 WeakPolarHBondContact O-CD2 3.33Å | ||
| 334 | T | 53.3 | Low | 57.4 | Low | 129 Ų | 129 | 99.6 Ų | 99.6 | 79% | 0.791 | 56% | 0.558 | S | S | * | * | trans | -99.1 | 101.3 | 170.7 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | G332 | G332-T334 PolarHBondContact O-N 3.24Å; G332-T334 VanDerWaalsContact O-N 3.16Å | ||
| 335 | H | 68.5 | Low | 59.6 | Low | 62 Ų | 62 | 96 Ų | 96 | 29% | 0.287 | 54% | 0.537 | S | S | . | . | trans | -85 | 144.6 | 165.5 | 171.4 | -98.8 | 0 | 0 | 0 | 109.2 | L337 Y338 F355 F358 | H335-L337 PolarHBondContact ND1-N 3.49Å; H335-L337 PolarHBondContact O-N 2.86Å; H335-Y338 CarbonylContact O-C 3.59Å; H335-Y338 PolarHBondContact O-N 2.95Å; H335-F355 HydrophobicContact CB-CE2 3.69Å; H335-F355 HydrophobicContact CB-CZ 4.25Å; H335-F358 HydrophobicContact CB-CE1 4.18Å; H335-F358 AromaticContact CE1-CE1 3.85Å; H335-F358 AromaticContact CE1-CZ 3.68Å; H335-F358 AromaticContact CG-CE1 3.84Å; H335-F358 AromaticContact ND1-CE1 3.27Å; H335-F358 VanDerWaalsContact ND1-CE1 3.27Å; H335-F358 WeakPolarHBondContact ND1-CE1 3.18Å; H335-F358 AromaticContact ND1-CZ 3.26Å; H335-F358 VanDerWaalsContact ND1-CZ 3.26Å; H335-F358 WeakPolarHBondContact ND1-CZ 3.4Å | ||
| 336 | P | 76.8 | Confident | 61.7 | Low | 119 Ų | 119 | 94.3 Ų | 94.3 | 77% | 0.773 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.4 | -173.4 | -29.2 | 36.8 | 0 | 0 | 0 | 115.7 | ||
| 337 | L | 74.6 | Confident | 63.3 | Low | 51 Ų | 51 | 93.8 Ų | 93.8 | 27% | 0.267 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 16.3 | 176.8 | -51.2 | 179.7 | 0 | 0 | 0 | 113.5 | H335 K344 W345 F358 | H335-L337 PolarHBondContact ND1-N 3.49Å; H335-L337 PolarHBondContact O-N 2.86Å; L337-K344 PolarHBondContact O-N 3.22Å; L337-W345 HydrophobicContact CD1-CE3 3.59Å; L337-W345 HydrophobicContact CD1-CZ3 3.97Å; L337-F358 HydrophobicContact CB-CZ 4.2Å; L337-F358 VanDerWaalsContact O-CE2 3.25Å; L337-F358 WeakPolarHBondContact O-CE2 3.16Å |
| 338 | Y | 79.2 | Confident | 64.9 | Low | 35 Ų | 35 | 86.2 Ų | 86.2 | 14% | 0.137 | 51% | 0.506 | C | S | . | . | B | Isolated β-bridge | trans | -135 | 124.7 | 178.6 | 177 | -109.7 | 0 | 0 | 0 | 110.7 | H335 C352 F355 F358 | H335-Y338 CarbonylContact O-C 3.59Å; H335-Y338 PolarHBondContact O-N 2.95Å; Y338-C352 HydrophobicContact CE2-CB 4.07Å; Y338-C352 WeakPolarHBondContact CE2-O 3.48Å; Y338-C352 PolarHBondContact OH-O 3.49Å; Y338-F355 AromaticContact CD1-CD2 3.81Å; Y338-F355 HydrophobicContact CD1-CD2 3.81Å; Y338-F355 HydrophobicContact CE1-CB 4.2Å; Y338-F355 HydrophobicContact CE1-CD2 4.05Å; Y338-F355 PolarHBondContact OH-N 2.84Å; Y338-F358 HydrophobicContact CD2-CB 3.5Å; Y338-F358 VanDerWaalsContact CD2-CB 3.5Å; Y338-F358 HydrophobicContact CD2-CD1 4.21Å; Y338-F358 AromaticContact CD2-CD2 3.75Å; Y338-F358 HydrophobicContact CD2-CD2 3.75Å; Y338-F358 AromaticContact CD2-CG 3.52Å; Y338-F358 HydrophobicContact CD2-CG 3.52Å; Y338-F358 HydrophobicContact CE2-CB 3.77Å; Y338-F358 HydrophobicContact CE2-CG 4.3Å; Y338-F358 HydrophobicContact CG-CB 4.18Å; Y338-F358 HydrophobicContact CG-CD1 4.1Å; Y338-F358 HydrophobicContact CG-CD2 4.23Å; Y338-F358 AromaticContact CG-CG 3.87Å; Y338-F358 HydrophobicContact CG-CG 3.87Å |
| 339 | G | 77.1 | Confident | 67.1 | Low | 16 Ų | 16 | 86.5 Ų | 86.5 | 17% | 0.165 | 51% | 0.508 | C | S | . | . | trans | -179.2 | 141.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G341 V342 K344 | G339-G341 VanDerWaalsContact C-N 3.31Å; G339-V342 PolarHBondContact N-O 2.88Å; G339-V342 VanDerWaalsContact O-CG2 3.26Å; G339-V342 WeakPolarHBondContact O-CG2 3.39Å; G339-K344 WeakPolarHBondContact O-CE 3.4Å | ||
| 340 | H | 73.5 | Confident | 69 | Low | 185 Ų | 185 | 81.1 Ų | 81.1 | 86% | 0.856 | 49% | 0.485 | S | S | * | . | S | Bend | trans | 60.7 | 33.7 | -164.5 | -48.2 | -76.5 | 0 | 0 | 0 | 113.9 | V342 | H340-V342 VanDerWaalsContact C-N 3.28Å; H340-V342 PolarHBondContact O-N 2.75Å |
| 341 | G | 78.2 | Confident | 70.7 | Confident | 20 Ų | 20 | 80.7 Ų | 80.7 | 21% | 0.206 | 49% | 0.485 | C | S | . | . | S | Bend | trans | 66.7 | 27 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G339 M351 C352 | G339-G341 VanDerWaalsContact C-N 3.31Å; G341-M351 CarbonylContact O-C 3.58Å; G341-M351 WeakPolarHBondContact O-CA 3.22Å; G341-C352 CarbonylContact C-O 3.59Å; G341-C352 VanDerWaalsContact C-O 3.31Å; G341-C352 VanDerWaalsContact CA-O 3.25Å; G341-C352 WeakPolarHBondContact CA-O 3.46Å; G341-C352 CarbonylContact O-C 3.59Å; G341-C352 PolarHBondContact O-N 3.39Å |
| 342 | V | 80.2 | Confident | 72.8 | Confident | 41 Ų | 41 | 75.8 Ų | 75.8 | 25% | 0.248 | 45% | 0.451 | C | S | . | . | B | Isolated β-bridge | trans | -132.3 | 148.7 | 174.7 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | G339 H340 K344 N350 M351 | G339-V342 PolarHBondContact N-O 2.88Å; G339-V342 VanDerWaalsContact O-CG2 3.26Å; G339-V342 WeakPolarHBondContact O-CG2 3.39Å; H340-V342 VanDerWaalsContact C-N 3.28Å; H340-V342 PolarHBondContact O-N 2.75Å; V342-K344 HydrophobicContact CG2-CG 4.37Å; V342-N350 WeakPolarHBondContact CA-O 3.17Å; V342-M351 HydrophobicContact CG1-CG 4.03Å |
| 343 | C | 85.6 | Confident | 74.6 | Confident | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.02 | 45% | 0.454 | C | S | . | . | B | Isolated β-bridge | trans | -63.9 | 144.4 | 160.2 | -168.7 | 0 | 0 | 0 | 0 | 109.8 | N350 F358 H361 | C343-N350 PolarHBondContact N-O 3.48Å; C343-F358 HydrophobicContact CB-CD2 4.34Å; C343-F358 HydrophobicContact CB-CE2 4.36Å; C343-H361 VanDerWaalsContact CB-NE2 3.32Å; C343-H361 WeakPolarHBondContact CB-NE2 3.2Å; C343-H361 PolarHBondContact SG-NE2 3.46Å |
| 344 | K | 78.8 | Confident | 76 | Confident | 105 Ų | 105 | 82.4 Ų | 82.4 | 46% | 0.457 | 45% | 0.454 | S | S | . | . | trans | -124.2 | 29 | 175.6 | -60.3 | -171.5 | 177.1 | -177.5 | 0 | 112.1 | L337 G339 V342 | L337-K344 PolarHBondContact O-N 3.22Å; G339-K344 WeakPolarHBondContact O-CE 3.4Å; V342-K344 HydrophobicContact CG2-CG 4.37Å | ||
| 345 | W | 79.8 | Confident | 77.2 | Confident | 97 Ų | 97 | 80.2 Ų | 80.2 | 37% | 0.367 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -68 | 141.4 | 170.4 | -172 | -84.3 | 0 | 0 | 0 | 109.7 | L337 G347 C348 L362 H366 | L337-W345 HydrophobicContact CD1-CE3 3.59Å; L337-W345 HydrophobicContact CD1-CZ3 3.97Å; W345-G347 PolarHBondContact O-N 2.86Å; W345-C348 HydrophobicContact CB-CB 4.25Å; W345-C348 PolarHBondContact O-N 3.21Å; W345-L362 HydrophobicContact CE3-CD1 3.88Å; W345-L362 HydrophobicContact CZ3-CD1 4.2Å; W345-H366 WeakPolarHBondContact CB-CD2 3.35Å; W345-H366 VanDerWaalsContact CB-NE2 3.33Å; W345-H366 WeakPolarHBondContact CB-NE2 3.43Å; W345-H366 AromaticContact CD1-CD2 3.97Å; W345-H366 AromaticContact CD1-CE1 3.99Å; W345-H366 AromaticContact CD1-NE2 3.95Å; W345-H366 HydrophobicContact CD2-CB 4.01Å; W345-H366 AromaticContact CD2-CD2 3.7Å; W345-H366 AromaticContact CD2-CG 3.79Å; W345-H366 HydrophobicContact CE3-CB 4.08Å; W345-H366 HydrophobicContact CG-CB 4.49Å; W345-H366 AromaticContact CG-CD2 3.38Å; W345-H366 AromaticContact CG-CG 3.76Å; W345-H366 AromaticContact CG-NE2 3.61Å; W345-H366 HydrophobicContact CZ2-CB 4.47Å; W345-H366 HydrophobicContact CZ3-CB 4.37Å |
| 346 | P | 75.8 | Confident | 77.9 | Confident | 113 Ų | 113 | 79.3 Ų | 79.3 | 73% | 0.734 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 112.7 | -178.4 | -26.8 | 35.8 | 0 | 0 | 0 | 112.6 | ||
| 347 | G | 66.9 | Low | 78.2 | Confident | 91 Ų | 91 | 77 Ų | 77 | 94% | 0.938 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 9.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | W345 | W345-G347 PolarHBondContact O-N 2.86Š|
| 348 | C | 74.6 | Confident | 78.6 | Confident | 13 Ų | 13 | 74.6 Ų | 74.6 | 9% | 0.088 | 41% | 0.407 | C | S | . | . | trans | -126.2 | 131.4 | 170.1 | -178.7 | 0 | 0 | 0 | 0 | 111 | W345 N350 H361 H366 | W345-C348 HydrophobicContact CB-CB 4.25Å; W345-C348 PolarHBondContact O-N 3.21Å; C348-N350 PolarHBondContact SG-OD1 3.43Å; C348-H361 PolarHBondContact SG-CE1 2.83Å; C348-H366 WeakPolarHBondContact CB-CE1 3.21Å; C348-H366 VanDerWaalsContact CB-NE2 3.28Å; C348-H366 WeakPolarHBondContact CB-NE2 3.44Å; C348-H366 VanDerWaalsContact SG-CE1 3.6Å; C348-H366 PolarHBondContact SG-NE2 3.28Å; C348-H366 VanDerWaalsContact SG-NE2 3.41Å | ||
| 349 | E | 75.1 | Confident | 78.8 | Confident | 171 Ų | 171 | 76.7 Ų | 76.7 | 80% | 0.799 | 42% | 0.42 | S | S | * | . | trans | -122.7 | 21 | -178.5 | -57.6 | -173.9 | 149.8 | 0 | 0 | 111.1 | M351 | E349-M351 PolarHBondContact O-N 3.04Š| ||
| 350 | N | 78.1 | Confident | 79 | Confident | 61 Ų | 61 | 83.4 Ų | 83.4 | 33% | 0.326 | 45% | 0.445 | S | S | . | . | trans | -59.7 | 129.1 | -174.5 | -72 | 25 | 0 | 0 | 0 | 111.2 | V342 C343 C348 H361 E365 | V342-N350 WeakPolarHBondContact CA-O 3.17Å; C343-N350 PolarHBondContact N-O 3.48Å; C348-N350 PolarHBondContact SG-OD1 3.43Å; N350-H361 PolarHBondContact ND2-CE1 2.95Å; N350-H361 PolarHBondContact ND2-ND1 3.44Å; N350-E365 PolarHBondContact ND2-OE1 2.86Å; N350-E365 PolarHBondContact ND2-OE2 3.43Å | ||
| 351 | M | 79.1 | Confident | 79.5 | Confident | 161 Ų | 161 | 75.2 Ų | 75.2 | 79% | 0.793 | 41% | 0.407 | S | S | * | . | B | Isolated β-bridge | trans | -69.2 | 134 | 173.2 | -63.7 | 176.2 | 68.7 | 0 | 0 | 110 | G341 V342 E349 | G341-M351 CarbonylContact O-C 3.58Å; G341-M351 WeakPolarHBondContact O-CA 3.22Å; V342-M351 HydrophobicContact CG1-CG 4.03Å; E349-M351 PolarHBondContact O-N 3.04Å |
| 352 | C | 80.9 | Confident | 79.7 | Confident | 4 Ų | 4 | 75.7 Ų | 75.7 | 3% | 0.027 | 41% | 0.405 | C | S | . | . | trans | -138.8 | 100 | -178.3 | -70.5 | 0 | 0 | 0 | 0 | 106.6 | Y338 G341 D354 Q357 F358 | Y338-C352 HydrophobicContact CE2-CB 4.07Å; Y338-C352 WeakPolarHBondContact CE2-O 3.48Å; Y338-C352 PolarHBondContact OH-O 3.49Å; G341-C352 CarbonylContact C-O 3.59Å; G341-C352 VanDerWaalsContact C-O 3.31Å; G341-C352 VanDerWaalsContact CA-O 3.25Å; G341-C352 WeakPolarHBondContact CA-O 3.46Å; G341-C352 CarbonylContact O-C 3.59Å; G341-C352 PolarHBondContact O-N 3.39Å; C352-D354 VanDerWaalsContact C-N 3.28Å; C352-D354 PolarHBondContact O-N 2.86Å; C352-Q357 HydrophobicContact CB-CB 4.46Å; C352-F358 HydrophobicContact CB-CB 3.8Å | ||
| 353 | E | 79.9 | Confident | 79.7 | Confident | 156 Ų | 156 | 79.4 Ų | 79.4 | 73% | 0.729 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -68.4 | -32.4 | -169.3 | -54.5 | 169.8 | 140.8 | 0 | 0 | 111.7 | Q357 | E353-Q357 PolarHBondContact OE2-NE2 3.01Š|
| 354 | D | 80.4 | Confident | 79.4 | Confident | 97 Ų | 97 | 83.3 Ų | 83.3 | 52% | 0.519 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -114.6 | 153.4 | 173.4 | -67.6 | -74.8 | 0 | 0 | 0 | 112.6 | C352 G356 Q357 F358 | C352-D354 VanDerWaalsContact C-N 3.28Å; C352-D354 PolarHBondContact O-N 2.86Å; D354-G356 PolarHBondContact O-N 3.17Å; D354-Q357 HydrophobicContact CB-CB 4.39Å; D354-Q357 HydrophobicContact CB-CG 4.07Å; D354-Q357 WeakPolarHBondContact O-CA 3.46Å; D354-Q357 WeakPolarHBondContact O-CB 3.32Å; D354-Q357 PolarHBondContact O-N 3.44Å; D354-Q357 PolarHBondContact OD2-NE2 3.43Å; D354-F358 PolarHBondContact O-N 2.99Å |
| 355 | F | 78.9 | Confident | 79.1 | Confident | 84 Ų | 84 | 83.4 Ų | 83.4 | 37% | 0.368 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -53.6 | -35.9 | 164.6 | -171.5 | -90 | 0 | 0 | 0 | 112.3 | G333 H335 Y338 F358 L359 | G333-F355 VanDerWaalsContact O-CD2 3.29Å; G333-F355 WeakPolarHBondContact O-CD2 3.33Å; H335-F355 HydrophobicContact CB-CE2 3.69Å; H335-F355 HydrophobicContact CB-CZ 4.25Å; Y338-F355 AromaticContact CD1-CD2 3.81Å; Y338-F355 HydrophobicContact CD1-CD2 3.81Å; Y338-F355 HydrophobicContact CE1-CB 4.2Å; Y338-F355 HydrophobicContact CE1-CD2 4.05Å; Y338-F355 PolarHBondContact OH-N 2.84Å; F355-F358 PolarHBondContact O-N 3.08Å; F355-L359 HydrophobicContact CE1-CD1 4.33Å; F355-L359 WeakPolarHBondContact O-CB 3.45Å; F355-L359 PolarHBondContact O-N 3.41Å |
| 356 | G | 83.1 | Confident | 78.9 | Confident | 42 Ų | 42 | 80.3 Ų | 80.3 | 43% | 0.433 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.8 | -22.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D354 K360 | D354-G356 PolarHBondContact O-N 3.17Å; G356-K360 WeakPolarHBondContact O-CG 3.25Å |
| 357 | Q | 82 | Confident | 78.5 | Confident | 72 Ų | 72 | 78 Ų | 78 | 34% | 0.336 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -78.3 | -46.8 | 168.8 | -66.5 | -178 | 35.6 | 0 | 0 | 109.9 | C352 E353 D354 L359 K360 H361 | C352-Q357 HydrophobicContact CB-CB 4.46Å; E353-Q357 PolarHBondContact OE2-NE2 3.01Å; D354-Q357 HydrophobicContact CB-CB 4.39Å; D354-Q357 HydrophobicContact CB-CG 4.07Å; D354-Q357 WeakPolarHBondContact O-CA 3.46Å; D354-Q357 WeakPolarHBondContact O-CB 3.32Å; D354-Q357 PolarHBondContact O-N 3.44Å; D354-Q357 PolarHBondContact OD2-NE2 3.43Å; Q357-L359 VanDerWaalsContact C-N 3.29Å; Q357-L359 PolarHBondContact O-N 2.87Å; Q357-K360 WeakPolarHBondContact O-CB 3.46Å; Q357-K360 PolarHBondContact O-N 3.32Å; Q357-H361 PolarHBondContact O-N 2.86Å |
| 358 | F | 84.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -52.8 | -45.6 | 174.4 | 166.5 | -98.8 | 0 | 0 | 0 | 112.2 | H335 L337 Y338 C343 C352 D354 F355 K360 H361 L362 | H335-F358 HydrophobicContact CB-CE1 4.18Å; H335-F358 AromaticContact CE1-CE1 3.85Å; H335-F358 AromaticContact CE1-CZ 3.68Å; H335-F358 AromaticContact CG-CE1 3.84Å; H335-F358 AromaticContact ND1-CE1 3.27Å; H335-F358 VanDerWaalsContact ND1-CE1 3.27Å; H335-F358 WeakPolarHBondContact ND1-CE1 3.18Å; H335-F358 AromaticContact ND1-CZ 3.26Å; H335-F358 VanDerWaalsContact ND1-CZ 3.26Å; H335-F358 WeakPolarHBondContact ND1-CZ 3.4Å; L337-F358 HydrophobicContact CB-CZ 4.2Å; L337-F358 VanDerWaalsContact O-CE2 3.25Å; L337-F358 WeakPolarHBondContact O-CE2 3.16Å; Y338-F358 HydrophobicContact CD2-CB 3.5Å; Y338-F358 VanDerWaalsContact CD2-CB 3.5Å; Y338-F358 HydrophobicContact CD2-CD1 4.21Å; Y338-F358 AromaticContact CD2-CD2 3.75Å; Y338-F358 HydrophobicContact CD2-CD2 3.75Å; Y338-F358 AromaticContact CD2-CG 3.52Å; Y338-F358 HydrophobicContact CD2-CG 3.52Å; Y338-F358 HydrophobicContact CE2-CB 3.77Å; Y338-F358 HydrophobicContact CE2-CG 4.3Å; Y338-F358 HydrophobicContact CG-CB 4.18Å; Y338-F358 HydrophobicContact CG-CD1 4.1Å; Y338-F358 HydrophobicContact CG-CD2 4.23Å; Y338-F358 AromaticContact CG-CG 3.87Å; Y338-F358 HydrophobicContact CG-CG 3.87Å; C343-F358 HydrophobicContact CB-CD2 4.34Å; C343-F358 HydrophobicContact CB-CE2 4.36Å; C352-F358 HydrophobicContact CB-CB 3.8Å; D354-F358 PolarHBondContact O-N 2.99Å; F355-F358 PolarHBondContact O-N 3.08Å; F358-K360 VanDerWaalsContact C-N 3.26Å; F358-K360 PolarHBondContact O-N 3.42Å; F358-H361 PolarHBondContact O-N 2.88Å; F358-L362 HydrophobicContact CE1-CD2 4.09Å; F358-L362 HydrophobicContact CE2-CB 4.46Å; F358-L362 HydrophobicContact CE2-CD1 4.45Å; F358-L362 HydrophobicContact CZ-CB 4.26Å; F358-L362 HydrophobicContact CZ-CD1 4.14Å; F358-L362 HydrophobicContact CZ-CD2 3.91Å; F358-L362 HydrophobicContact CZ-CG 4.34Å; F358-L362 WeakPolarHBondContact O-CB 3.43Å; F358-L362 PolarHBondContact O-N 3.49Å |
| 359 | L | 82.4 | Confident | 78.7 | Confident | 79 Ų | 79 | 84.8 Ų | 84.8 | 41% | 0.414 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.1 | -25.4 | -179.2 | -146 | 76.2 | 0 | 0 | 0 | 113.1 | F355 Q357 N363 | F355-L359 HydrophobicContact CE1-CD1 4.33Å; F355-L359 WeakPolarHBondContact O-CB 3.45Å; F355-L359 PolarHBondContact O-N 3.41Å; Q357-L359 VanDerWaalsContact C-N 3.29Å; Q357-L359 PolarHBondContact O-N 2.87Å; L359-N363 PolarHBondContact O-ND2 2.87Å |
| 360 | K | 81.6 | Confident | 78.6 | Confident | 157 Ų | 157 | 83.7 Ų | 83.7 | 68% | 0.683 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -75.7 | -52.4 | 171.3 | -69.9 | 171.4 | -177.3 | 175.6 | 0 | 110.5 | G356 Q357 F358 L362 N363 S364 | G356-K360 WeakPolarHBondContact O-CG 3.25Å; Q357-K360 WeakPolarHBondContact O-CB 3.46Å; Q357-K360 PolarHBondContact O-N 3.32Å; F358-K360 VanDerWaalsContact C-N 3.26Å; F358-K360 PolarHBondContact O-N 3.42Å; K360-L362 VanDerWaalsContact C-N 3.34Å; K360-L362 PolarHBondContact O-N 2.82Å; K360-N363 CarbonylContact O-C 3.57Å; K360-N363 WeakPolarHBondContact O-CA 3.29Å; K360-N363 PolarHBondContact O-N 3.25Å; K360-S364 PolarHBondContact O-N 3.29Å; K360-S364 PolarHBondContact O-OG 3.49Å |
| 361 | H | 84.1 | Confident | 78.1 | Confident | 13 Ų | 13 | 90 Ų | 90 | 6% | 0.06 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -52.3 | -48.1 | 177.9 | 161.3 | 67.7 | 0 | 0 | 0 | 112.4 | C343 C348 N350 Q357 F358 N363 S364 E365 H366 | C343-H361 VanDerWaalsContact CB-NE2 3.32Å; C343-H361 WeakPolarHBondContact CB-NE2 3.2Å; C343-H361 PolarHBondContact SG-NE2 3.46Å; C348-H361 PolarHBondContact SG-CE1 2.83Å; N350-H361 PolarHBondContact ND2-CE1 2.95Å; N350-H361 PolarHBondContact ND2-ND1 3.44Å; Q357-H361 PolarHBondContact O-N 2.86Å; F358-H361 PolarHBondContact O-N 2.88Å; H361-N363 VanDerWaalsContact C-N 3.26Å; H361-N363 PolarHBondContact O-N 3.4Å; H361-S364 WeakPolarHBondContact CA-OG 3.28Å; H361-S364 PolarHBondContact O-N 2.9Å; H361-S364 VanDerWaalsContact O-N 3.11Å; H361-S364 PolarHBondContact O-OG 3.3Å; H361-E365 IonicContact CE1-OE1 2.96Å; H361-E365 PolarHBondContact CE1-OE1 2.83Å; H361-E365 IonicContact CE1-OE2 3.69Å; H361-E365 IonicContact CG-OE1 3.84Å; H361-E365 IonicContact ND1-OE1 2.69Å; H361-E365 PolarHBondContact ND1-OE1 3.39Å; H361-E365 IonicContact ND1-OE2 3.87Å; H361-E365 PolarHBondContact O-N 3.46Å; H361-H366 AromaticContact CE1-NE2 3.79Å; H361-H366 AromaticContact NE2-CD2 3.93Å; H361-H366 AromaticContact NE2-NE2 3.41Å; H361-H366 PolarHBondContact NE2-NE2 3.32Å |
| 362 | L | 83 | Confident | 78.1 | Confident | 30 Ų | 30 | 84.1 Ų | 84.1 | 16% | 0.157 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -57.4 | -37.8 | 176.2 | -174.1 | 73.9 | 0 | 0 | 0 | 112.4 | W345 F358 K360 H366 A367 | W345-L362 HydrophobicContact CE3-CD1 3.88Å; W345-L362 HydrophobicContact CZ3-CD1 4.2Å; F358-L362 HydrophobicContact CE1-CD2 4.09Å; F358-L362 HydrophobicContact CE2-CB 4.46Å; F358-L362 HydrophobicContact CE2-CD1 4.45Å; F358-L362 HydrophobicContact CZ-CB 4.26Å; F358-L362 HydrophobicContact CZ-CD1 4.14Å; F358-L362 HydrophobicContact CZ-CD2 3.91Å; F358-L362 HydrophobicContact CZ-CG 4.34Å; F358-L362 WeakPolarHBondContact O-CB 3.43Å; F358-L362 PolarHBondContact O-N 3.49Å; K360-L362 VanDerWaalsContact C-N 3.34Å; K360-L362 PolarHBondContact O-N 2.82Å; L362-H366 HydrophobicContact CD1-CB 4.1Å; L362-H366 CarbonylContact O-C 3.58Å; L362-H366 WeakPolarHBondContact O-CA 3.47Å; L362-H366 WeakPolarHBondContact O-CB 3.47Å; L362-H366 PolarHBondContact O-N 3.27Å; L362-A367 PolarHBondContact O-N 3.37Å |
| 363 | N | 80.3 | Confident | 78.2 | Confident | 119 Ų | 119 | 85.7 Ų | 85.7 | 64% | 0.636 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -83.7 | -14.4 | 179.4 | -78.6 | -73.1 | 0 | 0 | 0 | 114 | L359 K360 H361 | L359-N363 PolarHBondContact O-ND2 2.87Å; K360-N363 CarbonylContact O-C 3.57Å; K360-N363 WeakPolarHBondContact O-CA 3.29Å; K360-N363 PolarHBondContact O-N 3.25Å; H361-N363 VanDerWaalsContact C-N 3.26Å; H361-N363 PolarHBondContact O-N 3.4Å |
| 364 | S | 78.3 | Confident | 78.2 | Confident | 84 Ų | 84 | 80.6 Ų | 80.6 | 59% | 0.587 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -102.9 | -37.5 | 178.8 | 57.4 | 0 | 0 | 0 | 0 | 114 | K360 H361 | K360-S364 PolarHBondContact O-N 3.29Å; K360-S364 PolarHBondContact O-OG 3.49Å; H361-S364 WeakPolarHBondContact CA-OG 3.28Å; H361-S364 PolarHBondContact O-N 2.9Å; H361-S364 VanDerWaalsContact O-N 3.11Å; H361-S364 PolarHBondContact O-OG 3.3Å |
| 365 | E | 72.9 | Confident | 78.2 | Confident | 108 Ų | 108 | 81.5 Ų | 81.5 | 51% | 0.505 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -107.9 | -17.8 | -175.1 | -68.1 | 175.9 | -109.8 | 0 | 0 | 113 | N350 H361 | N350-E365 PolarHBondContact ND2-OE1 2.86Å; N350-E365 PolarHBondContact ND2-OE2 3.43Å; H361-E365 IonicContact CE1-OE1 2.96Å; H361-E365 PolarHBondContact CE1-OE1 2.83Å; H361-E365 IonicContact CE1-OE2 3.69Å; H361-E365 IonicContact CG-OE1 3.84Å; H361-E365 IonicContact ND1-OE1 2.69Å; H361-E365 PolarHBondContact ND1-OE1 3.39Å; H361-E365 IonicContact ND1-OE2 3.87Å; H361-E365 PolarHBondContact O-N 3.46Å |
| 366 | H | 74.8 | Confident | 78.6 | Confident | 31 Ų | 31 | 81 Ų | 81 | 14% | 0.144 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -122.6 | 24.8 | 176.7 | -54.4 | -23.4 | 0 | 0 | 0 | 112.4 | W345 C348 H361 L362 L368 | W345-H366 WeakPolarHBondContact CB-CD2 3.35Å; W345-H366 VanDerWaalsContact CB-NE2 3.33Å; W345-H366 WeakPolarHBondContact CB-NE2 3.43Å; W345-H366 AromaticContact CD1-CD2 3.97Å; W345-H366 AromaticContact CD1-CE1 3.99Å; W345-H366 AromaticContact CD1-NE2 3.95Å; W345-H366 HydrophobicContact CD2-CB 4.01Å; W345-H366 AromaticContact CD2-CD2 3.7Å; W345-H366 AromaticContact CD2-CG 3.79Å; W345-H366 HydrophobicContact CE3-CB 4.08Å; W345-H366 HydrophobicContact CG-CB 4.49Å; W345-H366 AromaticContact CG-CD2 3.38Å; W345-H366 AromaticContact CG-CG 3.76Å; W345-H366 AromaticContact CG-NE2 3.61Å; W345-H366 HydrophobicContact CZ2-CB 4.47Å; W345-H366 HydrophobicContact CZ3-CB 4.37Å; C348-H366 WeakPolarHBondContact CB-CE1 3.21Å; C348-H366 VanDerWaalsContact CB-NE2 3.28Å; C348-H366 WeakPolarHBondContact CB-NE2 3.44Å; C348-H366 VanDerWaalsContact SG-CE1 3.6Å; C348-H366 PolarHBondContact SG-NE2 3.28Å; C348-H366 VanDerWaalsContact SG-NE2 3.41Å; H361-H366 AromaticContact CE1-NE2 3.79Å; H361-H366 AromaticContact NE2-CD2 3.93Å; H361-H366 AromaticContact NE2-NE2 3.41Å; H361-H366 PolarHBondContact NE2-NE2 3.32Å; L362-H366 HydrophobicContact CD1-CB 4.1Å; L362-H366 CarbonylContact O-C 3.58Å; L362-H366 WeakPolarHBondContact O-CA 3.47Å; L362-H366 WeakPolarHBondContact O-CB 3.47Å; L362-H366 PolarHBondContact O-N 3.27Å; H366-L368 PolarHBondContact O-N 2.87Å |
| 367 | A | 68.1 | Low | 78.9 | Confident | 64 Ų | 64 | 86.6 Ų | 86.6 | 53% | 0.529 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -56.7 | 134.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L362 D369 | L362-A367 PolarHBondContact O-N 3.37Å; A367-D369 PolarHBondContact O-N 3.44Å |
| 368 | L | 69.3 | Low | 79.4 | Confident | 125 Ų | 125 | 87 Ų | 87 | 65% | 0.654 | 46% | 0.456 | S | S | * | . | trans | -62 | 109 | 175.5 | -74.7 | 173 | 0 | 0 | 0 | 109.9 | H366 D370 T373 | H366-L368 PolarHBondContact O-N 2.87Å; L368-D370 PolarHBondContact O-N 3.08Å; L368-T373 WeakPolarHBondContact CB-OG1 3.35Å; L368-T373 PolarHBondContact O-OG1 3.12Å | ||
| 369 | D | 75.6 | Confident | 79.4 | Confident | 122 Ų | 122 | 93.3 Ų | 93.3 | 65% | 0.652 | 49% | 0.485 | S | S | * | . | trans | -29.7 | 136.5 | 176.8 | -76.8 | -36.1 | 0 | 0 | 0 | 111.8 | A367 R371 S372 T373 | A367-D369 PolarHBondContact O-N 3.44Å; D369-R371 HydrophobicContact CB-CB 4.47Å; D369-R371 CarbonylContact O-C 3.54Å; D369-R371 PolarHBondContact O-N 3.29Å; D369-S372 PolarHBondContact N-OG 2.82Å; D369-S372 CarbonylContact O-C 3.31Å; D369-S372 WeakPolarHBondContact O-CA 3.5Å; D369-S372 PolarHBondContact O-N 3.26Å; D369-S372 PolarHBondContact O-OG 2.98Å; D369-T373 PolarHBondContact O-N 2.73Å | ||
| 370 | D | 74.3 | Confident | 79.8 | Confident | 148 Ų | 148 | 95.6 Ų | 95.6 | 79% | 0.791 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -51.1 | -32.8 | 175.9 | -78.5 | -51.6 | 0 | 0 | 0 | 112.5 | L368 A374 | L368-D370 PolarHBondContact O-N 3.08Å; D370-A374 WeakPolarHBondContact O-CB 3.28Å; D370-A374 PolarHBondContact O-N 3.27Å |
| 371 | R | 66.5 | Low | 80.3 | Confident | 195 Ų | 195 | 94.3 Ų | 94.3 | 74% | 0.736 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 171.4 | -179.9 | 179.2 | -73 | 166.9 | -2.3 | 113 | D369 Q375 | D369-R371 HydrophobicContact CB-CB 4.47Å; D369-R371 CarbonylContact O-C 3.54Å; D369-R371 PolarHBondContact O-N 3.29Å; R371-Q375 WeakPolarHBondContact O-CB 3.36Å; R371-Q375 WeakPolarHBondContact O-CG 3.41Å; R371-Q375 PolarHBondContact O-N 3.43Å |
| 372 | S | 79.9 | Confident | 80.8 | Confident | 37 Ų | 37 | 97.5 Ų | 97.5 | 26% | 0.259 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71 | -41.1 | 178.9 | 75.7 | 0 | 0 | 0 | 0 | 111.6 | D369 A374 Q375 C376 | D369-S372 PolarHBondContact N-OG 2.82Å; D369-S372 CarbonylContact O-C 3.31Å; D369-S372 WeakPolarHBondContact O-CA 3.5Å; D369-S372 PolarHBondContact O-N 3.26Å; D369-S372 PolarHBondContact O-OG 2.98Å; S372-A374 VanDerWaalsContact C-N 3.34Å; S372-A374 PolarHBondContact O-N 2.82Å; S372-Q375 PolarHBondContact O-N 3.36Å; S372-C376 WeakPolarHBondContact O-CB 3.33Å; S372-C376 PolarHBondContact O-N 3.4Å |
| 373 | T | 82.4 | Confident | 81.4 | Confident | 37 Ų | 37 | 99.9 Ų | 99.9 | 23% | 0.227 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -61.8 | -40 | 173.2 | -72.9 | 0 | 0 | 0 | 0 | 111.4 | L368 D369 R377 | L368-T373 WeakPolarHBondContact CB-OG1 3.35Å; L368-T373 PolarHBondContact O-OG1 3.12Å; D369-T373 PolarHBondContact O-N 2.73Å; T373-R377 WeakPolarHBondContact O-CD 3.04Å; T373-R377 VanDerWaalsContact O-CG 3.29Å; T373-R377 WeakPolarHBondContact O-CG 3.4Å; T373-R377 PolarHBondContact O-N 3.41Å |
| 374 | A | 79.4 | Confident | 82 | Confident | 48 Ų | 48 | 99.8 Ų | 99.8 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D370 S372 C376 R377 V378 | D370-A374 WeakPolarHBondContact O-CB 3.28Å; D370-A374 PolarHBondContact O-N 3.27Å; S372-A374 VanDerWaalsContact C-N 3.34Å; S372-A374 PolarHBondContact O-N 2.82Å; A374-C376 VanDerWaalsContact C-N 3.34Å; A374-C376 PolarHBondContact O-N 2.92Å; A374-R377 PolarHBondContact O-N 2.93Å; A374-V378 WeakPolarHBondContact O-CG2 3.43Å; A374-V378 PolarHBondContact O-N 3.19Å |
| 375 | Q | 81.3 | Confident | 82.7 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176.2 | -78.7 | -179.1 | -0.9 | 0 | 0 | 112.3 | R371 S372 R377 V378 Q379 | R371-Q375 WeakPolarHBondContact O-CB 3.36Å; R371-Q375 WeakPolarHBondContact O-CG 3.41Å; R371-Q375 PolarHBondContact O-N 3.43Å; S372-Q375 PolarHBondContact O-N 3.36Å; Q375-R377 PolarHBondContact O-N 3.43Å; Q375-V378 PolarHBondContact O-N 2.92Å; Q375-Q379 WeakPolarHBondContact O-CB 3.4Å; Q375-Q379 WeakPolarHBondContact O-CG 3.36Å; Q375-Q379 PolarHBondContact O-N 3.19Å |
| 376 | C | 86.6 | Confident | 83.8 | Confident | 73 Ų | 73 | 100.7 Ų | 100.7 | 49% | 0.493 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | S372 A374 V378 Q379 M380 | S372-C376 WeakPolarHBondContact O-CB 3.33Å; S372-C376 PolarHBondContact O-N 3.4Å; A374-C376 VanDerWaalsContact C-N 3.34Å; A374-C376 PolarHBondContact O-N 2.92Å; C376-V378 PolarHBondContact O-N 2.93Å; C376-Q379 PolarHBondContact O-N 2.96Å; C376-M380 WeakPolarHBondContact O-CB 3.41Å; C376-M380 PolarHBondContact O-N 3.36Å |
| 377 | R | 88.6 | Confident | 84.8 | Confident | 160 Ų | 160 | 105.2 Ų | 105.2 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 176 | -67.8 | 166.2 | -167.5 | -97.9 | 4.4 | 112.1 | T373 A374 Q375 M380 Q381 | T373-R377 WeakPolarHBondContact O-CD 3.04Å; T373-R377 VanDerWaalsContact O-CG 3.29Å; T373-R377 WeakPolarHBondContact O-CG 3.4Å; T373-R377 PolarHBondContact O-N 3.41Å; A374-R377 PolarHBondContact O-N 2.93Å; Q375-R377 PolarHBondContact O-N 3.43Å; R377-M380 PolarHBondContact O-N 2.87Å; R377-Q381 WeakPolarHBondContact O-CG 3.48Å; R377-Q381 PolarHBondContact O-N 2.95Å |
| 378 | V | 93.1 | Very high | 86.1 | Confident | 82 Ų | 82 | 105.3 Ų | 105.3 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | A374 Q375 C376 M380 Q381 V382 | A374-V378 WeakPolarHBondContact O-CG2 3.43Å; A374-V378 PolarHBondContact O-N 3.19Å; Q375-V378 PolarHBondContact O-N 2.92Å; C376-V378 PolarHBondContact O-N 2.93Å; V378-M380 VanDerWaalsContact C-N 3.33Å; V378-M380 PolarHBondContact O-N 3.42Å; V378-Q381 WeakPolarHBondContact O-CB 3.45Å; V378-Q381 PolarHBondContact O-N 3.3Å; V378-V382 WeakPolarHBondContact O-CG2 3.45Å; V378-V382 PolarHBondContact O-N 3.29Å |
| 379 | Q | 85.7 | Confident | 87.2 | Confident | 132 Ų | 132 | 104.7 Ų | 104.7 | 62% | 0.617 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.7 | -43 | 174.9 | -76 | -179.1 | -3.7 | 0 | 0 | 111.5 | Q375 C376 Q381 V382 V383 | Q375-Q379 WeakPolarHBondContact O-CB 3.4Å; Q375-Q379 WeakPolarHBondContact O-CG 3.36Å; Q375-Q379 PolarHBondContact O-N 3.19Å; C376-Q379 PolarHBondContact O-N 2.96Å; Q379-Q381 VanDerWaalsContact C-N 3.33Å; Q379-Q381 PolarHBondContact O-N 3.19Å; Q379-V382 PolarHBondContact O-N 2.98Å; Q379-V382 VanDerWaalsContact O-N 3.17Å; Q379-V383 WeakPolarHBondContact O-CG2 3.29Å; Q379-V383 PolarHBondContact O-N 2.89Å |
| 380 | M | 90.3 | Very high | 88.3 | Confident | 126 Ų | 126 | 104.9 Ų | 104.9 | 62% | 0.621 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.8 | -34.6 | 176.6 | -175.8 | 160 | 47.4 | 0 | 0 | 112.7 | C376 R377 V378 Q384 | C376-M380 WeakPolarHBondContact O-CB 3.41Å; C376-M380 PolarHBondContact O-N 3.36Å; R377-M380 PolarHBondContact O-N 2.87Å; V378-M380 VanDerWaalsContact C-N 3.33Å; V378-M380 PolarHBondContact O-N 3.42Å; M380-Q384 WeakPolarHBondContact O-CB 3.39Å; M380-Q384 PolarHBondContact O-N 2.94Å |
| 381 | Q | 91.2 | Very high | 89.2 | Confident | 130 Ų | 130 | 100.9 Ų | 100.9 | 61% | 0.607 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 170.1 | -74.7 | -179.9 | -17.5 | 0 | 0 | 112.5 | R377 V378 Q379 Q384 Q385 | R377-Q381 WeakPolarHBondContact O-CG 3.48Å; R377-Q381 PolarHBondContact O-N 2.95Å; V378-Q381 WeakPolarHBondContact O-CB 3.45Å; V378-Q381 PolarHBondContact O-N 3.3Å; Q379-Q381 VanDerWaalsContact C-N 3.33Å; Q379-Q381 PolarHBondContact O-N 3.19Å; Q381-Q384 PolarHBondContact O-N 3.46Å; Q381-Q385 WeakPolarHBondContact O-CB 3.46Å; Q381-Q385 PolarHBondContact O-N 2.83Å |
| 382 | V | 95.6 | Very high | 90.5 | Very high | 80 Ų | 80 | 97.5 Ų | 97.5 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 176.2 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | V378 Q379 Q385 L386 | V378-V382 WeakPolarHBondContact O-CG2 3.45Å; V378-V382 PolarHBondContact O-N 3.29Å; Q379-V382 PolarHBondContact O-N 2.98Å; Q379-V382 VanDerWaalsContact O-N 3.17Å; V382-Q385 PolarHBondContact O-N 3.35Å; V382-L386 HydrophobicContact CG1-CD1 4.1Å; V382-L386 WeakPolarHBondContact O-CG 3.47Å; V382-L386 PolarHBondContact O-N 2.73Å |
| 383 | V | 95.8 | Very high | 91.1 | Very high | 80 Ų | 80 | 100.2 Ų | 100.2 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -48.8 | 175 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | Q379 Q385 L386 E387 | Q379-V383 WeakPolarHBondContact O-CG2 3.29Å; Q379-V383 PolarHBondContact O-N 2.89Å; V383-Q385 VanDerWaalsContact C-N 3.29Å; V383-Q385 PolarHBondContact O-N 3.01Å; V383-L386 WeakPolarHBondContact O-CB 3.5Å; V383-L386 PolarHBondContact O-N 3.35Å; V383-L386 VanDerWaalsContact O-N 3.08Å; V383-E387 HydrophobicContact CG1-CG 4.48Å; V383-E387 WeakPolarHBondContact O-CG 3.39Å; V383-E387 PolarHBondContact O-N 3.18Å |
| 384 | Q | 93.3 | Very high | 91.7 | Very high | 117 Ų | 117 | 107.3 Ų | 107.3 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 176.5 | 177 | 168.1 | 87.1 | 0 | 0 | 112.5 | M380 Q381 E387 I388 | M380-Q384 WeakPolarHBondContact O-CB 3.39Å; M380-Q384 PolarHBondContact O-N 2.94Å; Q381-Q384 PolarHBondContact O-N 3.46Å; Q384-E387 PolarHBondContact O-N 3.03Å; Q384-I388 HydrophobicContact CG-CD1 4.12Å; Q384-I388 VanDerWaalsContact O-CG1 3.26Å; Q384-I388 WeakPolarHBondContact O-CG1 3.46Å; Q384-I388 PolarHBondContact O-N 3.11Å |
| 385 | Q | 92.4 | Very high | 92.4 | Very high | 114 Ų | 114 | 111.7 Ų | 111.7 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 175.6 | -179.3 | 61.8 | 13.4 | 0 | 0 | 112.1 | Q381 V382 V383 I388 Q389 | Q381-Q385 WeakPolarHBondContact O-CB 3.46Å; Q381-Q385 PolarHBondContact O-N 2.83Å; V382-Q385 PolarHBondContact O-N 3.35Å; V383-Q385 VanDerWaalsContact C-N 3.29Å; V383-Q385 PolarHBondContact O-N 3.01Å; Q385-I388 PolarHBondContact O-N 3.31Å; Q385-Q389 WeakPolarHBondContact O-CB 3.44Å; Q385-Q389 PolarHBondContact O-N 2.78Å |
| 386 | L | 96 | Very high | 92.9 | Very high | 98 Ų | 98 | 112.9 Ų | 112.9 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 174.3 | -70.9 | 168.9 | 0 | 0 | 0 | 112.1 | V382 V383 Q389 L390 | V382-L386 HydrophobicContact CG1-CD1 4.1Å; V382-L386 WeakPolarHBondContact O-CG 3.47Å; V382-L386 PolarHBondContact O-N 2.73Å; V383-L386 WeakPolarHBondContact O-CB 3.5Å; V383-L386 PolarHBondContact O-N 3.35Å; V383-L386 VanDerWaalsContact O-N 3.08Å; L386-Q389 PolarHBondContact O-N 2.97Å; L386-L390 VanDerWaalsContact O-CB 3.31Å; L386-L390 WeakPolarHBondContact O-CB 3.45Å; L386-L390 PolarHBondContact O-N 3.37Å |
| 387 | E | 94.7 | Very high | 93.2 | Very high | 125 Ų | 125 | 114 Ų | 114 | 58% | 0.584 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.2 | -43 | 172.4 | -70.3 | 179.6 | 152.3 | 0 | 0 | 111.7 | V383 Q384 Q389 L390 S391 | V383-E387 HydrophobicContact CG1-CG 4.48Å; V383-E387 WeakPolarHBondContact O-CG 3.39Å; V383-E387 PolarHBondContact O-N 3.18Å; Q384-E387 PolarHBondContact O-N 3.03Å; E387-Q389 VanDerWaalsContact C-N 3.34Å; E387-Q389 PolarHBondContact O-N 3.35Å; E387-L390 PolarHBondContact O-N 3.11Å; E387-S391 WeakPolarHBondContact O-CB 3.26Å; E387-S391 PolarHBondContact O-N 3.42Å; E387-S391 PolarHBondContact O-OG 3.28Å |
| 388 | I | 95.3 | Very high | 93.4 | Very high | 67 Ų | 67 | 111.8 Ų | 111.8 | 34% | 0.344 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 175.2 | -68.5 | 166.6 | 0 | 0 | 0 | 110.7 | Q384 Q385 S391 K392 | Q384-I388 HydrophobicContact CG-CD1 4.12Å; Q384-I388 VanDerWaalsContact O-CG1 3.26Å; Q384-I388 WeakPolarHBondContact O-CG1 3.46Å; Q384-I388 PolarHBondContact O-N 3.11Å; Q385-I388 PolarHBondContact O-N 3.31Å; I388-S391 PolarHBondContact O-OG 3.4Å; I388-K392 HydrophobicContact CG2-CD 4.37Å; I388-K392 WeakPolarHBondContact O-CG 3.35Å; I388-K392 PolarHBondContact O-N 2.95Å |
| 389 | Q | 94.1 | Very high | 93.2 | Very high | 112 Ų | 112 | 110.4 Ų | 110.4 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 175.9 | -175.7 | 171.6 | -15.2 | 0 | 0 | 112.2 | Q385 L386 E387 K392 E393 | Q385-Q389 WeakPolarHBondContact O-CB 3.44Å; Q385-Q389 PolarHBondContact O-N 2.78Å; L386-Q389 PolarHBondContact O-N 2.97Å; E387-Q389 VanDerWaalsContact C-N 3.34Å; E387-Q389 PolarHBondContact O-N 3.35Å; Q389-K392 PolarHBondContact O-N 3.14Å; Q389-E393 PolarHBondContact O-N 3.24Å |
| 390 | L | 96.8 | Very high | 93.5 | Very high | 125 Ų | 125 | 109 Ų | 109 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -38 | 178.1 | -169.1 | 153 | 0 | 0 | 0 | 111.6 | L386 E387 E393 R394 | L386-L390 VanDerWaalsContact O-CB 3.31Å; L386-L390 WeakPolarHBondContact O-CB 3.45Å; L386-L390 PolarHBondContact O-N 3.37Å; E387-L390 PolarHBondContact O-N 3.11Å; L390-E393 PolarHBondContact O-N 3.49Å; L390-R394 VanDerWaalsContact O-CB 3.28Å; L390-R394 WeakPolarHBondContact O-CB 3.28Å; L390-R394 PolarHBondContact O-N 3.13Å |
| 391 | S | 93.8 | Very high | 93.3 | Very high | 64 Ų | 64 | 107.3 Ų | 107.3 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 174.2 | 66.4 | 0 | 0 | 0 | 0 | 112.6 | E387 I388 R394 E395 | E387-S391 WeakPolarHBondContact O-CB 3.26Å; E387-S391 PolarHBondContact O-N 3.42Å; E387-S391 PolarHBondContact O-OG 3.28Å; I388-S391 PolarHBondContact O-OG 3.4Å; S391-R394 PolarHBondContact O-N 3.32Å; S391-E395 PolarHBondContact O-N 3.49Å |
| 392 | K | 94 | Very high | 92.6 | Very high | 125 Ų | 125 | 104.5 Ų | 104.5 | 54% | 0.543 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 174.7 | -72.5 | 171 | -178.2 | 175.6 | 0 | 112.9 | I388 Q389 R394 E395 R396 | I388-K392 HydrophobicContact CG2-CD 4.37Å; I388-K392 WeakPolarHBondContact O-CG 3.35Å; I388-K392 PolarHBondContact O-N 2.95Å; Q389-K392 PolarHBondContact O-N 3.14Å; K392-R394 VanDerWaalsContact C-N 3.33Å; K392-E395 PolarHBondContact O-N 2.94Å; K392-R396 WeakPolarHBondContact O-CB 3.47Å; K392-R396 PolarHBondContact O-N 3.33Å |
| 393 | E | 93.4 | Very high | 91.7 | Very high | 94 Ų | 94 | 107.8 Ų | 107.8 | 44% | 0.439 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.3 | -31.3 | 174.8 | -77 | -62.2 | 127.9 | 0 | 0 | 112 | Q389 L390 R396 L397 | Q389-E393 PolarHBondContact O-N 3.24Å; L390-E393 PolarHBondContact O-N 3.49Å; E393-R396 PolarHBondContact O-N 3.37Å; E393-R396 WeakPolarHBondContact OE1-CD 3.31Å; E393-R396 IonicContact OE1-CZ 3.38Å; E393-R396 IonicContact OE1-NE 2.82Å; E393-R396 IonicContact OE1-NH1 2.76Å; E393-R396 PolarHBondContact OE1-NH1 3.32Å; E393-R396 WeakPolarHBondContact OE2-CD 3.46Å; E393-R396 IonicContact OE2-NH1 2.76Å; E393-R396 PolarHBondContact OE2-NH1 3.02Å; E393-L397 VanDerWaalsContact O-CB 3.29Å; E393-L397 WeakPolarHBondContact O-CB 3.42Å; E393-L397 PolarHBondContact O-N 3.12Å |
| 394 | R | 93.8 | Very high | 90.9 | Very high | 185 Ų | 185 | 110.2 Ų | 110.2 | 70% | 0.698 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.9 | -43.5 | 169.2 | -177.6 | -179.2 | 177.1 | -173.1 | 0.2 | 112 | L390 S391 K392 L397 Q398 | L390-R394 VanDerWaalsContact O-CB 3.28Å; L390-R394 WeakPolarHBondContact O-CB 3.28Å; L390-R394 PolarHBondContact O-N 3.13Å; S391-R394 PolarHBondContact O-N 3.32Å; K392-R394 VanDerWaalsContact C-N 3.33Å; R394-L397 PolarHBondContact O-N 2.94Å; R394-Q398 VanDerWaalsContact O-CB 3.28Å; R394-Q398 WeakPolarHBondContact O-CB 3.29Å; R394-Q398 PolarHBondContact O-N 3.37Å |
| 395 | E | 93.6 | Very high | 89.8 | Confident | 140 Ų | 140 | 109.2 Ų | 109.2 | 65% | 0.654 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 174.6 | -176.4 | 178.8 | -167 | 0 | 0 | 111.4 | S391 K392 Q398 A399 | S391-E395 PolarHBondContact O-N 3.49Å; K392-E395 PolarHBondContact O-N 2.94Å; E395-Q398 WeakPolarHBondContact O-CB 3.31Å; E395-Q398 PolarHBondContact O-N 2.92Å; E395-A399 WeakPolarHBondContact O-CB 3.49Å; E395-A399 PolarHBondContact O-N 3.49Å |
| 396 | R | 92.2 | Very high | 87.9 | Confident | 142 Ų | 142 | 109.8 Ų | 109.8 | 54% | 0.536 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 175.9 | -172.9 | -174.2 | -178 | -171.8 | -2.6 | 112.4 | K392 E393 A399 M400 | K392-R396 WeakPolarHBondContact O-CB 3.47Å; K392-R396 PolarHBondContact O-N 3.33Å; E393-R396 PolarHBondContact O-N 3.37Å; E393-R396 WeakPolarHBondContact OE1-CD 3.31Å; E393-R396 IonicContact OE1-CZ 3.38Å; E393-R396 IonicContact OE1-NE 2.82Å; E393-R396 IonicContact OE1-NH1 2.76Å; E393-R396 PolarHBondContact OE1-NH1 3.32Å; E393-R396 WeakPolarHBondContact OE2-CD 3.46Å; E393-R396 IonicContact OE2-NH1 2.76Å; E393-R396 PolarHBondContact OE2-NH1 3.02Å; R396-A399 PolarHBondContact O-N 3Å; R396-M400 WeakPolarHBondContact O-CB 3.28Å; R396-M400 PolarHBondContact O-N 3.45Å |
| 397 | L | 93.9 | Very high | 85.7 | Confident | 96 Ų | 96 | 114.5 Ų | 114.5 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 174.2 | -179.2 | 61.1 | 0 | 0 | 0 | 111 | E393 R394 A399 M400 M401 | E393-L397 VanDerWaalsContact O-CB 3.29Å; E393-L397 WeakPolarHBondContact O-CB 3.42Å; E393-L397 PolarHBondContact O-N 3.12Å; R394-L397 PolarHBondContact O-N 2.94Å; L397-A399 VanDerWaalsContact C-N 3.32Å; L397-A399 PolarHBondContact O-N 3.07Å; L397-M400 PolarHBondContact O-N 3.41Å; L397-M401 HydrophobicContact CD1-CG 4.37Å; L397-M401 HydrophobicContact CG-SD 4.32Å; L397-M401 WeakPolarHBondContact O-CB 3.46Å; L397-M401 VanDerWaalsContact O-CG 3.31Å; L397-M401 WeakPolarHBondContact O-CG 3.41Å; L397-M401 PolarHBondContact O-N 3.3Å |
| 398 | Q | 92.7 | Very high | 83.8 | Confident | 113 Ų | 113 | 114.8 Ų | 114.8 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.9 | -43.4 | 174.1 | -173 | 70 | 38.5 | 0 | 0 | 111.1 | R394 E395 M401 T402 | R394-Q398 VanDerWaalsContact O-CB 3.28Å; R394-Q398 WeakPolarHBondContact O-CB 3.29Å; R394-Q398 PolarHBondContact O-N 3.37Å; E395-Q398 WeakPolarHBondContact O-CB 3.31Å; E395-Q398 PolarHBondContact O-N 2.92Å; Q398-M401 PolarHBondContact O-N 2.99Å; Q398-T402 WeakPolarHBondContact O-CG2 3.43Å; Q398-T402 PolarHBondContact O-N 3.05Å; Q398-T402 PolarHBondContact O-OG1 3.42Å |
| 399 | A | 89.1 | Confident | 81.3 | Confident | 53 Ų | 53 | 117 Ų | 117 | 44% | 0.438 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E395 R396 L397 T402 H403 | E395-A399 WeakPolarHBondContact O-CB 3.49Å; E395-A399 PolarHBondContact O-N 3.49Å; R396-A399 PolarHBondContact O-N 3Å; L397-A399 VanDerWaalsContact C-N 3.32Å; L397-A399 PolarHBondContact O-N 3.07Å; A399-T402 WeakPolarHBondContact CA-OG1 3.4Å; A399-T402 PolarHBondContact O-N 3.43Å; A399-T402 PolarHBondContact O-OG1 3.34Å; A399-H403 WeakPolarHBondContact O-CB 3.11Å; A399-H403 PolarHBondContact O-N 3.21Å |
| 400 | M | 90.6 | Very high | 78.9 | Confident | 104 Ų | 104 | 120.1 Ų | 120.1 | 51% | 0.512 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.1 | -44.5 | 174.4 | -171.3 | -173.5 | -60 | 0 | 0 | 111.2 | R396 L397 H403 L404 | R396-M400 WeakPolarHBondContact O-CB 3.28Å; R396-M400 PolarHBondContact O-N 3.45Å; L397-M400 PolarHBondContact O-N 3.41Å; M400-H403 PolarHBondContact O-N 3.05Å; M400-L404 HydrophobicContact CG-CD1 4.35Å; M400-L404 WeakPolarHBondContact O-CG 3.33Å; M400-L404 PolarHBondContact O-N 3.4Å |
| 401 | M | 86 | Confident | 76.5 | Confident | 89 Ų | 89 | 120.5 Ų | 120.5 | 44% | 0.438 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.5 | -42.3 | 174.5 | -71.2 | -179.1 | 77.2 | 0 | 0 | 111.7 | L397 Q398 H403 L404 H405 | L397-M401 HydrophobicContact CD1-CG 4.37Å; L397-M401 HydrophobicContact CG-SD 4.32Å; L397-M401 WeakPolarHBondContact O-CB 3.46Å; L397-M401 VanDerWaalsContact O-CG 3.31Å; L397-M401 WeakPolarHBondContact O-CG 3.41Å; L397-M401 PolarHBondContact O-N 3.3Å; Q398-M401 PolarHBondContact O-N 2.99Å; M401-H403 VanDerWaalsContact C-N 3.32Å; M401-H403 PolarHBondContact O-N 2.91Å; M401-L404 PolarHBondContact O-N 3.26Å; M401-H405 PolarHBondContact O-N 3.38Å; M401-H405 VanDerWaalsContact O-N 3.08Å; M401-H405 PolarHBondContact O-ND1 3.04Å |
| 402 | T | 77.4 | Confident | 73.5 | Confident | 71 Ų | 71 | 126.9 Ų | 126.9 | 44% | 0.436 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67 | -34 | 177.3 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | Q398 A399 H405 M406 | Q398-T402 WeakPolarHBondContact O-CG2 3.43Å; Q398-T402 PolarHBondContact O-N 3.05Å; Q398-T402 PolarHBondContact O-OG1 3.42Å; A399-T402 WeakPolarHBondContact CA-OG1 3.4Å; A399-T402 PolarHBondContact O-N 3.43Å; A399-T402 PolarHBondContact O-OG1 3.34Å; T402-H405 PolarHBondContact O-N 2.88Å; T402-M406 WeakPolarHBondContact O-CG 3.42Å; T402-M406 PolarHBondContact O-N 3.29Å |
| 403 | H | 76.4 | Confident | 70.8 | Confident | 149 Ų | 149 | 125.9 Ų | 125.9 | 69% | 0.69 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.5 | -47.9 | 173.2 | -173.6 | 68.7 | 0 | 0 | 0 | 112 | A399 M400 M401 H405 M406 | A399-H403 WeakPolarHBondContact O-CB 3.11Å; A399-H403 PolarHBondContact O-N 3.21Å; M400-H403 PolarHBondContact O-N 3.05Å; M401-H403 VanDerWaalsContact C-N 3.32Å; M401-H403 PolarHBondContact O-N 2.91Å; H403-H405 PolarHBondContact O-N 3.05Å; H403-M406 PolarHBondContact O-N 3.2Å; H403-M406 VanDerWaalsContact O-N 3.12Å |
| 404 | L | 79.9 | Confident | 68.2 | Low | 132 Ų | 132 | 126.2 Ų | 126.2 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.5 | -27.1 | 176.2 | -69.6 | 168.4 | 0 | 0 | 0 | 113.4 | M400 M401 | M400-L404 HydrophobicContact CG-CD1 4.35Å; M400-L404 WeakPolarHBondContact O-CG 3.33Å; M400-L404 PolarHBondContact O-N 3.4Å; M401-L404 PolarHBondContact O-N 3.26Å |
| 405 | H | 70.3 | Confident | 65.6 | Low | 95 Ų | 95 | 123.3 Ų | 123.3 | 44% | 0.44 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | 13.7 | 176.7 | -67.1 | 101 | 0 | 0 | 0 | 114.4 | M401 T402 H403 R474 | M401-H405 PolarHBondContact O-N 3.38Å; M401-H405 VanDerWaalsContact O-N 3.08Å; M401-H405 PolarHBondContact O-ND1 3.04Å; T402-H405 PolarHBondContact O-N 2.88Å; H403-H405 PolarHBondContact O-N 3.05Å; H405-R474 PolarHBondContact O-NH2 3.47Å; H405-R474 VanDerWaalsContact O-NH2 3.15Å |
| 406 | M | 50.8 | Low | 62.6 | Low | 126 Ų | 126 | 125.6 Ų | 125.6 | 62% | 0.621 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -98.9 | 116.7 | 164 | -67.4 | -58.9 | 173.5 | 0 | 0 | 109.6 | T402 H403 | T402-M406 WeakPolarHBondContact O-CG 3.42Å; T402-M406 PolarHBondContact O-N 3.29Å; H403-M406 PolarHBondContact O-N 3.2Å; H403-M406 VanDerWaalsContact O-N 3.12Å |
| 407 | R | 50.8 | Low | 60 | Low | 198 Ų | 198 | 124.7 Ų | 124.7 | 75% | 0.747 | 67% | 0.671 | S | S | * | * | trans | -63.1 | 133.7 | 171.9 | -71.7 | -173.6 | -176.4 | 158.5 | 6.8 | 109 | S409 M473 | R407-S409 PolarHBondContact O-N 3.04Å; R407-S409 VanDerWaalsContact O-N 3.11Å; R407-M473 PolarHBondContact NH2-O 3.16Å; R407-M473 VanDerWaalsContact NH2-O 3.16Å | ||
| 408 | P | 54.7 | Low | 57 | Low | 131 Ų | 131 | 128.3 Ų | 128.3 | 85% | 0.851 | 69% | 0.69 | S | S | * | * | trans | -62.4 | 112.8 | 168.2 | -20.2 | 32.6 | 0 | 0 | 0 | 109.9 | ||||
| 409 | S | 43.6 | Very low | 54.1 | Low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | trans | -79.1 | 145.5 | 159.8 | 53.9 | 0 | 0 | 0 | 0 | 109.3 | R407 | R407-S409 PolarHBondContact O-N 3.04Å; R407-S409 VanDerWaalsContact O-N 3.11Å | ||
| 410 | E | 42.3 | Very low | 51.4 | Low | 178 Ų | 178 | 135.6 Ų | 135.6 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | -55.7 | 151 | -169.9 | -66.4 | 167.8 | 99.6 | 0 | 0 | 114.8 | K412 | E410-K412 PolarHBondContact O-N 3.45Š| ||
| 411 | P | 46.5 | Very low | 48.5 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -70.6 | 98 | -177.4 | 29.3 | -35.5 | 0 | 0 | 0 | 111.9 | S413 | P411-S413 PolarHBondContact O-N 3.05Š| ||
| 412 | K | 31.4 | Very low | 46 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 132.5 | 166.7 | -154.7 | 75.1 | 177.2 | -177.5 | 0 | 109.4 | E410 | E410-K412 PolarHBondContact O-N 3.45Š|
| 413 | S | 37.7 | Very low | 43.7 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 138.7 | -173.8 | 52.5 | 0 | 0 | 0 | 0 | 114.6 | P411 | P411-S413 PolarHBondContact O-N 3.05Š|
| 414 | S | 37.5 | Very low | 41.5 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 138.9 | 175.8 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 415 | P | 39.2 | Very low | 39.2 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 129.5 | 160.7 | 30.8 | -31.3 | 0 | 0 | 0 | 109.3 | ||
| 416 | K | 30.8 | Very low | 37.3 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 141.1 | 171.3 | -70.1 | 177.1 | 179.6 | 174.1 | 0 | 109.6 | L418 | K416-L418 PolarHBondContact O-N 2.96Š|
| 417 | P | 38.4 | Very low | 36.3 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70 | 123 | 174.9 | 28.9 | -33.3 | 0 | 0 | 0 | 110.2 | N419 | P417-N419 PolarHBondContact O-N 3.44Š|
| 418 | L | 31 | Very low | 35.4 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -80.3 | 114.6 | 169.8 | -69.5 | 173.7 | 0 | 0 | 0 | 109.4 | K416 | K416-L418 PolarHBondContact O-N 2.96Š| ||
| 419 | N | 30.7 | Very low | 34.3 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -108.9 | 124.3 | 154.8 | -106.7 | -88.2 | 0 | 0 | 0 | 106.9 | P417 | P417-N419 PolarHBondContact O-N 3.44Š| ||
| 420 | L | 32.8 | Very low | 33.6 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -135.1 | 105.5 | 170.2 | -175.4 | 62.6 | 0 | 0 | 0 | 109 | ||||
| 421 | V | 31.1 | Very low | 33.6 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -80 | 136.2 | 162 | 164.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 422 | S | 31.8 | Very low | 32.5 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -67.7 | 137.3 | 175.8 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 423 | S | 29.7 | Very low | 32.4 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 176.4 | 111.3 | 122.3 | -79.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 424 | V | 29.7 | Very low | 32.1 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | 61 | 137 | 119.8 | 176.6 | 0 | 0 | 0 | 0 | 121 | |||||
| 425 | T | 32 | Very low | 32.9 | Very low | 115 Ų | 115 | 134 Ų | 134 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 70 | 146.3 | 168.2 | 52.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 426 | M | 30.7 | Very low | 33.3 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | cis | -133.1 | 150 | 8.3 | -88.6 | -55.1 | 172 | 0 | 0 | 114.1 | ||||
| 427 | S | 29.5 | Very low | 33.1 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 60.8 | 114.7 | 137.8 | -63.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 428 | K | 32 | Very low | 32.8 | Very low | 183 Ų | 183 | 132.8 Ų | 132.8 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | 81.5 | 95 | 112 | -170.9 | 173.3 | 178.2 | 179.9 | 0 | 120.5 | |||||
| 429 | N | 31.8 | Very low | 33.3 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | -174.1 | 146.8 | 108.1 | -97.8 | -16.4 | 0 | 0 | 0 | 113.9 | |||||
| 430 | L | 29.5 | Very low | 33.1 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -113.8 | 177.2 | 159.9 | -103.8 | 74.6 | 0 | 0 | 0 | 107.4 | ||||
| 431 | P | 40.9 | Very low | 32.9 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | cis | -115.3 | -153.6 | -2.2 | 31.4 | -8.2 | 0 | 0 | 0 | 110.1 | ||||
| 432 | S | 23.6 | Very low | 33.6 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | cis | -168.1 | -177.1 | 20.5 | -157.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 433 | T | 29.6 | Very low | 33.5 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | 65.4 | 171.6 | 167.4 | 67.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 434 | S | 30.9 | Very low | 33.6 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -148.9 | -170.5 | -144.4 | 70.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 435 | P | 55.4 | Low | 34.3 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -88.1 | -160 | -156.8 | 44.3 | -44.7 | 0 | 0 | 0 | 112.9 | ||||
| 436 | P | 47.1 | Very low | 34.3 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -146 | -161.5 | 6.6 | 43 | -20.3 | 0 | 0 | 0 | 117.7 | ||||
| 437 | N | 27 | Very low | 34.5 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | 105 | 148.8 | 142.8 | -116.9 | -25.7 | 0 | 0 | 0 | 121.9 | ||||
| 438 | L | 31.4 | Very low | 35.3 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | -95.9 | -167.8 | 165.5 | -70.8 | 93.3 | 0 | 0 | 0 | 108.2 | ||||
| 439 | P | 42 | Very low | 35.4 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | cis | -141.8 | -165.6 | 2.6 | 27.7 | 0.1 | 0 | 0 | 0 | 116.4 | ||||
| 440 | Q | 27.6 | Very low | 35.6 | Very low | 183 Ų | 183 | 126.4 Ų | 126.4 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | 107.3 | 148.7 | 149.5 | -55.5 | -170.8 | 84.4 | 0 | 0 | 120.5 | ||||
| 441 | T | 28.8 | Very low | 36.5 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -110.3 | -164.6 | 175.4 | 58 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 442 | P | 44 | Very low | 36.1 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | cis | -129.9 | -167.5 | -13.4 | 41.6 | -24.2 | 0 | 0 | 0 | 112.8 | ||||
| 443 | T | 30.7 | Very low | 36.5 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | 160.7 | 159.6 | 137.8 | 39.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 444 | T | 31.1 | Very low | 36.3 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -156.5 | -174.3 | -179.9 | 53 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 445 | P | 45.3 | Very low | 36.3 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | cis | -137.8 | -154.2 | 1.6 | 31.5 | -4.6 | 0 | 0 | 0 | 114.5 | ||||
| 446 | T | 31.6 | Very low | 35.9 | Very low | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | 98.6 | 97.9 | 146 | -51.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 447 | A | 35.7 | Very low | 34.9 | Very low | 90 Ų | 90 | 132.1 Ų | 132.1 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | 62 | 175.8 | 126.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 448 | P | 46.3 | Very low | 35.3 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | cis | -128.2 | -155.8 | 16 | 44.1 | -25.3 | 0 | 0 | 0 | 116.3 | ||||
| 449 | I | 34.3 | Very low | 35.8 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -146.9 | 158.6 | -159 | 44.7 | 167.1 | 0 | 0 | 0 | 114.8 | ||||
| 450 | T | 35.9 | Very low | 35.1 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | 66.4 | 166.8 | 161.5 | 30.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 451 | P | 47.3 | Very low | 35.2 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | cis | -127 | -162.6 | 15.5 | 43.6 | -26.5 | 0 | 0 | 0 | 116.6 | ||||
| 452 | M | 32.8 | Very low | 35.3 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -110.9 | 167.5 | -171.9 | -70.7 | -179 | 63.8 | 0 | 0 | 115.4 | ||||
| 453 | A | 31.2 | Very low | 34.5 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 87 | 117.5 | 140.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 454 | A | 27.1 | Very low | 34.3 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -161.9 | 155.7 | 139.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 455 | M | 29.7 | Very low | 34.4 | Very low | 180 Ų | 180 | 123.5 Ų | 123.5 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -140.7 | 168.2 | 169.1 | -105.7 | -105 | 173.3 | 0 | 0 | 105.6 | ||||
| 456 | P | 47.2 | Very low | 33.6 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 66% | 0.662 | 80% | 0.801 | S | S | * | * | cis | -148.8 | -160 | 34.6 | 34.8 | -8.6 | 0 | 0 | 0 | 116.5 | ||||
| 457 | Q | 26.1 | Very low | 34 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 115.3 | 155.7 | 151.4 | -56.2 | -165.5 | 10.3 | 0 | 0 | 119.8 | ||||
| 458 | V | 34.5 | Very low | 34.2 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -150.5 | 173.7 | -173.2 | -69.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 459 | P | 42.3 | Very low | 33.3 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | cis | -146.4 | -170.6 | 18.9 | 44.8 | -24 | 0 | 0 | 0 | 118.2 | ||||
| 460 | S | 27.9 | Very low | 33.1 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | 71.2 | 161 | 162.6 | -54.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 461 | V | 30.3 | Very low | 32.9 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | cis | -148 | 134.9 | 23 | 174 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 462 | L | 30.3 | Very low | 32.2 | Very low | 177 Ų | 177 | 124.6 Ų | 124.6 | 93% | 0.927 | 81% | 0.806 | S | S | * | * | trans | 51.4 | 156.1 | 163.6 | -61 | 168.2 | 0 | 0 | 0 | 118.8 | ||||
| 463 | G | 26.6 | Very low | 32.1 | Very low | 77 Ų | 77 | 121 Ų | 121 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | cis | 149.7 | 114.4 | -7.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 464 | G | 27.5 | Very low | 32.4 | Very low | 78 Ų | 78 | 122.2 Ų | 122.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 126.5 | 108 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 465 | A | 32.6 | Very low | 33.2 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | trans | 55.3 | 144.8 | 140.2 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 466 | N | 29.3 | Very low | 33.5 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | 93.7 | 145.7 | 148.8 | -141.3 | 6.8 | 0 | 0 | 0 | 119.6 | ||||
| 467 | V | 39.3 | Very low | 32.4 | Very low | 127 Ų | 127 | 134 Ų | 134 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -92.4 | 157.7 | -171.1 | -71.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 468 | P | 39.8 | Very low | 32.9 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -137.4 | 134.7 | 139.8 | 35.8 | -22.9 | 0 | 0 | 0 | 115.7 | ||||
| 469 | S | 27.8 | Very low | 32.7 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | 47.4 | 120.2 | 135 | -151.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 470 | M | 29.3 | Very low | 32.4 | Very low | 191 Ų | 191 | 132 Ų | 132 | 94% | 0.941 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 131 | 168.4 | -79.7 | -74.9 | 176.6 | 0 | 0 | 112.8 | ||
| 471 | G | 31.2 | Very low | 32.7 | Very low | 77 Ų | 77 | 137.7 Ų | 137.7 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 155.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 472 | A | 33.3 | Very low | 32.5 | Very low | 73 Ų | 73 | 136.5 Ų | 136.5 | 60% | 0.603 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 154.9 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 473 | M | 31.4 | Very low | 32.4 | Very low | 102 Ų | 102 | 136 Ų | 136 | 50% | 0.502 | 76% | 0.758 | S | S | . | * | trans | 71.5 | 136.1 | 151.4 | -91.4 | 27.2 | -176 | 0 | 0 | 119.1 | R407 | R407-M473 PolarHBondContact NH2-O 3.16Å; R407-M473 VanDerWaalsContact NH2-O 3.16Å | ||
| 474 | R | 36.4 | Very low | 32.8 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 48% | 0.475 | 76% | 0.756 | S | S | . | * | cis | -166.5 | 136 | -3.9 | -145.4 | -162 | -60.7 | -125.4 | 5.1 | 113 | H405 | H405-R474 PolarHBondContact O-NH2 3.47Å; H405-R474 VanDerWaalsContact O-NH2 3.15Å | ||
| 475 | R | 44.2 | Very low | 33.3 | Very low | 219 Ų | 219 | 142.4 Ų | 142.4 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | 64 | 158.6 | 166.6 | -42.5 | -170.1 | 175.5 | 169.2 | -1.2 | 115.4 | ||||
| 476 | R | 35.3 | Very low | 33.2 | Very low | 237 Ų | 237 | 143.3 Ų | 143.3 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | cis | -142.3 | 139.8 | 11.2 | -47.4 | 163.4 | -177.4 | -124.7 | 3.1 | 110.6 | ||||
| 477 | H | 25.8 | Very low | 33.4 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | -168.4 | 171.4 | 125.7 | -147.9 | -96.9 | 0 | 0 | 0 | 111.2 | |||||
| 478 | S | 36 | Very low | 33 | Very low | 78 Ų | 78 | 139.1 Ų | 139.1 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | trans | -92.2 | 167.4 | 166.3 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 479 | D | 29.6 | Very low | 32.7 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | trans | 74.7 | 145.5 | 169.4 | -27.6 | -42.5 | 0 | 0 | 0 | 113.6 | ||||
| 480 | K | 37.3 | Very low | 33.2 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | cis | -147.8 | 168.7 | 33 | -43.7 | -172.9 | -170.1 | -51.6 | 0 | 112.2 | ||||
| 481 | Y | 32.7 | Very low | 34 | Very low | 228 Ų | 228 | 133.1 Ų | 133.1 | 89% | 0.894 | 73% | 0.734 | S | S | * | * | trans | -60.9 | 152.3 | -171.9 | -58 | -97.9 | 0 | 0 | 0 | 118.2 | ||||
| 482 | S | 27.1 | Very low | 34.7 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | 156.8 | 168.8 | 109.6 | 57.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 483 | M | 28.6 | Very low | 35.5 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | 78.2 | 144.6 | 169.7 | -46.5 | -53.6 | 174.7 | 0 | 0 | 118.9 | ||||
| 484 | P | 34.2 | Very low | 36.7 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | cis | -127 | 162 | -48.5 | 38 | -25.8 | 0 | 0 | 0 | 112.5 | ||||
| 485 | L | 38.1 | Very low | 37.7 | Very low | 174 Ų | 174 | 129.1 Ų | 129.1 | 91% | 0.911 | 70% | 0.696 | S | S | * | * | trans | -93 | 120.1 | -179.5 | -90.3 | 69.9 | 0 | 0 | 0 | 113.2 | ||||
| 486 | S | 31.5 | Very low | 38.4 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 87% | 0.874 | 69% | 0.69 | S | S | * | * | trans | 175.2 | 145.9 | 155.2 | -80.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 487 | S | 32.5 | Very low | 39.3 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 87% | 0.874 | 68% | 0.679 | S | S | * | * | cis | -164.5 | 146 | -16.7 | -178.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 488 | G | 31.1 | Very low | 41 | Very low | 72 Ų | 72 | 111 Ų | 111 | 74% | 0.742 | 64% | 0.641 | S | S | * | * | cis | -169.6 | -177.5 | -1.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 489 | G | 33.5 | Very low | 42.1 | Very low | 61 Ų | 61 | 109.9 Ų | 109.9 | 63% | 0.629 | 64% | 0.636 | S | S | * | * | trans | 146.8 | 124.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T491 | G489-T491 VanDerWaalsContact C-N 3.3Å; G489-T491 PolarHBondContact O-N 3.43Å | ||
| 490 | D | 37.4 | Very low | 43.5 | Very low | 173 Ų | 173 | 109.1 Ų | 109.1 | 93% | 0.925 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -82.8 | 54.5 | -159.6 | -55.3 | -61 | 0 | 0 | 0 | 115.4 | ||
| 491 | T | 46.2 | Very low | 44.9 | Very low | 72 Ų | 72 | 104.3 Ų | 104.3 | 44% | 0.442 | 62% | 0.62 | S | S | . | * | trans | -120.7 | 100.9 | 172.2 | 52.3 | 0 | 0 | 0 | 0 | 110.6 | G489 F493 | G489-T491 VanDerWaalsContact C-N 3.3Å; G489-T491 PolarHBondContact O-N 3.43Å; T491-F493 VanDerWaalsContact C-N 3.27Å; T491-F493 PolarHBondContact O-N 3.4Å; T491-F493 WeakPolarHBondContact OG1-CE2 3.49Å | ||
| 492 | V | 46.8 | Very low | 46.6 | Very low | 131 Ų | 131 | 95.3 Ų | 95.3 | 79% | 0.794 | 58% | 0.584 | S | S | * | * | trans | -76.9 | 76.1 | 179.5 | -174 | 0 | 0 | 0 | 0 | 110.2 | I494 | V492-I494 PolarHBondContact O-N 3.03Å; V492-I494 VanDerWaalsContact O-N 3.13Å | ||
| 493 | F | 50.2 | Low | 48.8 | Very low | 31 Ų | 31 | 95.3 Ų | 95.3 | 14% | 0.136 | 57% | 0.574 | C | S | . | * | trans | -62.2 | 114.9 | 178.8 | -71.4 | -62 | 0 | 0 | 0 | 111.7 | T491 F495 Y502 Q522 W540 | T491-F493 VanDerWaalsContact C-N 3.27Å; T491-F493 PolarHBondContact O-N 3.4Å; T491-F493 WeakPolarHBondContact OG1-CE2 3.49Å; F493-F495 PolarHBondContact O-N 2.95Å; F493-Y502 HydrophobicContact CE1-CE2 4.46Å; F493-Y502 HydrophobicContact CE2-CD1 4.3Å; F493-Y502 AromaticContact CE2-CD2 3.89Å; F493-Y502 HydrophobicContact CE2-CD2 3.89Å; F493-Y502 HydrophobicContact CE2-CE1 4.23Å; F493-Y502 AromaticContact CE2-CE2 3.85Å; F493-Y502 HydrophobicContact CE2-CE2 3.85Å; F493-Y502 HydrophobicContact CE2-CG 4.12Å; F493-Y502 AromaticContact CZ-CD2 3.92Å; F493-Y502 HydrophobicContact CZ-CD2 3.92Å; F493-Y502 HydrophobicContact CZ-CE1 4.42Å; F493-Y502 AromaticContact CZ-CE2 3.48Å; F493-Y502 HydrophobicContact CZ-CE2 3.48Å; F493-Y502 VanDerWaalsContact CZ-CE2 3.48Å; F493-Y502 AromaticContact CZ-CZ 3.76Å; F493-Q522 HydrophobicContact CD1-CG 4.22Å; F493-W540 HydrophobicContact CE1-CZ2 4.45Å | ||
| 494 | I | 56.8 | Low | 51.3 | Low | 84 Ų | 84 | 92.4 Ų | 92.4 | 43% | 0.431 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -60.8 | -13.8 | 179.2 | -57.1 | -65.5 | 0 | 0 | 0 | 112.8 | V492 M525 | V492-I494 PolarHBondContact O-N 3.03Å; V492-I494 VanDerWaalsContact O-N 3.13Å; I494-M525 HydrophobicContact CG1-CB 4.42Å; I494-M525 HydrophobicContact CG1-CE 4.47Å; I494-M525 HydrophobicContact CG2-CE 4.19Å |
| 495 | F | 57.5 | Low | 53.5 | Low | 47 Ų | 47 | 88.6 Ų | 88.6 | 21% | 0.206 | 53% | 0.528 | C | S | . | . | trans | -113.5 | 106.7 | 174.5 | -73.3 | -66.1 | 0 | 0 | 0 | 113.5 | F493 E497 I498 T518 R521 Q522 | F493-F495 PolarHBondContact O-N 2.95Å; F495-E497 PolarHBondContact O-N 3.49Å; F495-E497 VanDerWaalsContact O-N 3.11Å; F495-I498 HydrophobicContact CB-CD1 4.05Å; F495-I498 HydrophobicContact CB-CG1 4.14Å; F495-I498 PolarHBondContact O-N 3.38Å; F495-I498 VanDerWaalsContact O-N 3.15Å; F495-T518 HydrophobicContact CD2-CG2 4.49Å; F495-T518 HydrophobicContact CE2-CG2 4.03Å; F495-T518 HydrophobicContact CZ-CG2 4.32Å; F495-R521 VanDerWaalsContact CE2-NH1 3.27Å; F495-Q522 VanDerWaalsContact CD2-OE1 3.28Å | ||
| 496 | P | 57.6 | Low | 55.6 | Low | 108 Ų | 108 | 83.3 Ų | 83.3 | 70% | 0.701 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.3 | 174.6 | -27.7 | 36.2 | 0 | 0 | 0 | 115.8 | I498 P500 | P496-I498 VanDerWaalsContact C-N 3.29Å; P496-I498 PolarHBondContact O-N 3.34Å; P496-P500 WeakPolarHBondContact O-CD 3.4Å |
| 497 | E | 54.5 | Low | 57.9 | Low | 144 Ų | 144 | 82.6 Ų | 82.6 | 67% | 0.673 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -23.9 | 176.7 | -69.3 | -165.9 | 136.4 | 0 | 0 | 113.7 | F495 F514 | F495-E497 PolarHBondContact O-N 3.49Å; F495-E497 VanDerWaalsContact O-N 3.11Å; E497-F514 HydrophobicContact CB-CE1 4.45Å |
| 498 | I | 61.5 | Low | 60.2 | Low | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.015 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -43.2 | -177.8 | -57.2 | 178.5 | 0 | 0 | 0 | 110.6 | F495 P496 N501 Y502 F514 | F495-I498 HydrophobicContact CB-CD1 4.05Å; F495-I498 HydrophobicContact CB-CG1 4.14Å; F495-I498 PolarHBondContact O-N 3.38Å; F495-I498 VanDerWaalsContact O-N 3.15Å; P496-I498 VanDerWaalsContact C-N 3.29Å; P496-I498 PolarHBondContact O-N 3.34Å; I498-N501 PolarHBondContact O-N 3.41Å; I498-N501 VanDerWaalsContact O-N 3.16Å; I498-Y502 HydrophobicContact CG2-CD2 4.38Å; I498-Y502 PolarHBondContact O-N 3.14Å; I498-Y502 VanDerWaalsContact O-N 3.1Å; I498-F514 HydrophobicContact CG1-CD2 4.49Å; I498-F514 HydrophobicContact CG1-CE1 4.24Å; I498-F514 HydrophobicContact CG1-CE2 3.88Å; I498-F514 HydrophobicContact CG1-CZ 3.73Å |
| 499 | A | 59.2 | Low | 62.7 | Low | 54 Ų | 54 | 78 Ų | 78 | 45% | 0.446 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -48 | -51.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N501 Y502 | A499-N501 PolarHBondContact O-N 2.97Å; A499-N501 VanDerWaalsContact O-N 3.12Å; A499-Y502 WeakPolarHBondContact O-CB 3.37Å; A499-Y502 PolarHBondContact O-N 3.49Å |
| 500 | P | 60.1 | Low | 65.2 | Low | 100 Ų | 100 | 78.3 Ų | 78.3 | 65% | 0.649 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -70.4 | -11.1 | -174.1 | 28.5 | -36.2 | 0 | 0 | 0 | 114.6 | P496 | P496-P500 WeakPolarHBondContact O-CD 3.4Š|
| 501 | N | 64.9 | Low | 67.6 | Low | 79 Ų | 79 | 76.2 Ų | 76.2 | 42% | 0.422 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -121.6 | 11.5 | 177.1 | -68 | -90.6 | 0 | 0 | 0 | 112.4 | I498 A499 F504 Y505 | I498-N501 PolarHBondContact O-N 3.41Å; I498-N501 VanDerWaalsContact O-N 3.16Å; A499-N501 PolarHBondContact O-N 2.97Å; A499-N501 VanDerWaalsContact O-N 3.12Å; N501-F504 WeakPolarHBondContact O-CB 3.34Å; N501-F504 PolarHBondContact O-N 3.01Å; N501-Y505 HydrophobicContact CB-CD2 4.11Å; N501-Y505 HydrophobicContact CB-CE2 3.61Å; N501-Y505 WeakPolarHBondContact O-CD2 3.5Å; N501-Y505 PolarHBondContact O-N 2.92Å |
| 502 | Y | 70.3 | Confident | 69.5 | Low | 39 Ų | 39 | 73 Ų | 73 | 15% | 0.153 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.6 | -54.5 | -174.2 | 177.4 | -111.4 | 0 | 0 | 0 | 112.4 | F493 I498 A499 F504 Y505 K506 T544 | F493-Y502 HydrophobicContact CE1-CE2 4.46Å; F493-Y502 HydrophobicContact CE2-CD1 4.3Å; F493-Y502 AromaticContact CE2-CD2 3.89Å; F493-Y502 HydrophobicContact CE2-CD2 3.89Å; F493-Y502 HydrophobicContact CE2-CE1 4.23Å; F493-Y502 AromaticContact CE2-CE2 3.85Å; F493-Y502 HydrophobicContact CE2-CE2 3.85Å; F493-Y502 HydrophobicContact CE2-CG 4.12Å; F493-Y502 AromaticContact CZ-CD2 3.92Å; F493-Y502 HydrophobicContact CZ-CD2 3.92Å; F493-Y502 HydrophobicContact CZ-CE1 4.42Å; F493-Y502 AromaticContact CZ-CE2 3.48Å; F493-Y502 HydrophobicContact CZ-CE2 3.48Å; F493-Y502 VanDerWaalsContact CZ-CE2 3.48Å; F493-Y502 AromaticContact CZ-CZ 3.76Å; I498-Y502 HydrophobicContact CG2-CD2 4.38Å; I498-Y502 PolarHBondContact O-N 3.14Å; I498-Y502 VanDerWaalsContact O-N 3.1Å; A499-Y502 WeakPolarHBondContact O-CB 3.37Å; A499-Y502 PolarHBondContact O-N 3.49Å; Y502-F504 PolarHBondContact O-N 3.29Å; Y502-F504 VanDerWaalsContact O-N 3.15Å; Y502-Y505 PolarHBondContact O-N 3.35Å; Y502-Y505 VanDerWaalsContact O-N 3.14Å; Y502-K506 HydrophobicContact CE1-CD 4.01Å; Y502-K506 VanDerWaalsContact O-CB 3.29Å; Y502-K506 WeakPolarHBondContact O-CB 3.43Å; Y502-K506 PolarHBondContact O-N 2.87Å; Y502-T544 HydrophobicContact CE2-CG2 3.79Å |
| 503 | E | 72.4 | Confident | 71.4 | Confident | 97 Ų | 97 | 71.2 Ų | 71.2 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -25 | 178.6 | -67 | -59.7 | 120.7 | 0 | 0 | 113.3 | K506 N507 | E503-K506 WeakPolarHBondContact OE1-CD 3.42Å; E503-K506 WeakPolarHBondContact OE1-CE 3.44Å; E503-K506 IonicContact OE1-NZ 2.66Å; E503-K506 PolarHBondContact OE1-NZ 3.21Å; E503-K506 WeakPolarHBondContact OE2-CD 3.36Å; E503-K506 IonicContact OE2-NZ 2.74Å; E503-K506 PolarHBondContact OE2-NZ 3.03Å; E503-N507 WeakPolarHBondContact O-CB 3.17Å; E503-N507 PolarHBondContact O-N 2.89Å; E503-N507 PolarHBondContact O-ND2 2.92Å |
| 504 | F | 80.1 | Confident | 73.2 | Confident | 106 Ų | 106 | 71.5 Ų | 71.5 | 47% | 0.465 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.7 | -51.5 | 173.6 | 178.9 | -96.7 | 0 | 0 | 0 | 111.1 | N501 Y502 K506 N507 A508 V510 | N501-F504 WeakPolarHBondContact O-CB 3.34Å; N501-F504 PolarHBondContact O-N 3.01Å; Y502-F504 PolarHBondContact O-N 3.29Å; Y502-F504 VanDerWaalsContact O-N 3.15Å; F504-K506 PolarHBondContact O-N 3.46Å; F504-N507 PolarHBondContact O-N 3.26Å; F504-A508 HydrophobicContact CD2-CB 4.48Å; F504-A508 HydrophobicContact CE1-CB 4.43Å; F504-A508 HydrophobicContact CE2-CB 4.22Å; F504-A508 HydrophobicContact CZ-CB 4.2Å; F504-A508 WeakPolarHBondContact O-CB 3.47Å; F504-A508 PolarHBondContact O-N 2.92Å; F504-V510 HydrophobicContact CE1-CB 4.13Å; F504-V510 HydrophobicContact CE1-CG1 4.32Å; F504-V510 HydrophobicContact CE1-CG2 4.12Å; F504-V510 HydrophobicContact CZ-CG2 4.09Å |
| 505 | Y | 81.8 | Confident | 75 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 14% | 0.137 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -75.1 | -22.6 | -179.4 | -58.6 | -64.2 | 0 | 0 | 0 | 114 | N501 Y502 N507 V510 P512 P513 F545 A546 | N501-Y505 HydrophobicContact CB-CD2 4.11Å; N501-Y505 HydrophobicContact CB-CE2 3.61Å; N501-Y505 WeakPolarHBondContact O-CD2 3.5Å; N501-Y505 PolarHBondContact O-N 2.92Å; Y502-Y505 PolarHBondContact O-N 3.35Å; Y502-Y505 VanDerWaalsContact O-N 3.14Å; Y505-N507 VanDerWaalsContact C-N 3.32Å; Y505-V510 HydrophobicContact CD1-CB 4.46Å; Y505-V510 HydrophobicContact CD1-CG1 4.5Å; Y505-V510 HydrophobicContact CE1-CG1 4.18Å; Y505-P512 HydrophobicContact CD1-CB 4.5Å; Y505-P512 HydrophobicContact CD1-CG 4.45Å; Y505-P512 HydrophobicContact CG-CG 4.42Å; Y505-P513 VanDerWaalsContact CZ-CD 3.47Å; Y505-P513 WeakPolarHBondContact OH-CD 3.37Å; Y505-F545 WeakPolarHBondContact O-CA 3.34Å; Y505-A546 PolarHBondContact O-N 2.95Å |
| 506 | K | 82.1 | Confident | 76.8 | Confident | 63 Ų | 63 | 71 Ų | 71 | 27% | 0.274 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.1 | -31.5 | 172.9 | -177.6 | -168.6 | 177.9 | -171.2 | 0 | 113.1 | Y502 E503 F504 T544 R549 | Y502-K506 HydrophobicContact CE1-CD 4.01Å; Y502-K506 VanDerWaalsContact O-CB 3.29Å; Y502-K506 WeakPolarHBondContact O-CB 3.43Å; Y502-K506 PolarHBondContact O-N 2.87Å; E503-K506 WeakPolarHBondContact OE1-CD 3.42Å; E503-K506 WeakPolarHBondContact OE1-CE 3.44Å; E503-K506 IonicContact OE1-NZ 2.66Å; E503-K506 PolarHBondContact OE1-NZ 3.21Å; E503-K506 WeakPolarHBondContact OE2-CD 3.36Å; E503-K506 IonicContact OE2-NZ 2.74Å; E503-K506 PolarHBondContact OE2-NZ 3.03Å; F504-K506 PolarHBondContact O-N 3.46Å; K506-T544 WeakPolarHBondContact CA-O 3.43Å; K506-R549 PolarHBondContact O-NH1 2.9Å; K506-R549 PolarHBondContact O-NH2 3.41Å |
| 507 | N | 80 | Confident | 78.5 | Confident | 110 Ų | 110 | 66.2 Ų | 66.2 | 59% | 0.588 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -115.1 | -28.8 | -171.9 | -64 | -13.7 | 0 | 0 | 0 | 114 | E503 F504 Y505 | E503-N507 WeakPolarHBondContact O-CB 3.17Å; E503-N507 PolarHBondContact O-N 2.89Å; E503-N507 PolarHBondContact O-ND2 2.92Å; F504-N507 PolarHBondContact O-N 3.26Å; Y505-N507 VanDerWaalsContact C-N 3.32Å |
| 508 | A | 80.6 | Confident | 80.4 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 22% | 0.223 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -94.4 | 140.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F504 V510 | F504-A508 HydrophobicContact CD2-CB 4.48Å; F504-A508 HydrophobicContact CE1-CB 4.43Å; F504-A508 HydrophobicContact CE2-CB 4.22Å; F504-A508 HydrophobicContact CZ-CB 4.2Å; F504-A508 WeakPolarHBondContact O-CB 3.47Å; F504-A508 PolarHBondContact O-N 2.92Å; A508-V510 HydrophobicContact CB-CG2 4.12Å; A508-V510 PolarHBondContact O-N 3.02Å |
| 509 | D | 82.9 | Confident | 81.9 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | trans | -73.4 | 35.7 | 176.9 | -67.8 | -49.8 | 0 | 0 | 0 | 113.5 | Y547 R550 | D509-Y547 WeakPolarHBondContact O-CD2 3.3Å; D509-R550 IonicContact OD1-CZ 2.73Å; D509-R550 IonicContact OD1-NH1 3.86Å; D509-R550 PolarHBondContact OD1-NH1 2.96Å; D509-R550 IonicContact OD1-NH2 2.64Å; D509-R550 IonicContact OD2-CZ 3.69Å; D509-R550 IonicContact OD2-NH1 3.49Å; D509-R550 PolarHBondContact OD2-NH1 2.69Å; D509-R550 IonicContact OD2-NH2 3.42Å; D509-R550 PolarHBondContact OD2-NH2 3.26Å | ||
| 510 | V | 86.4 | Confident | 83.6 | Confident | 67 Ų | 67 | 57.3 Ų | 57.3 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 125.6 | 180 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | F504 Y505 A508 P512 | F504-V510 HydrophobicContact CE1-CB 4.13Å; F504-V510 HydrophobicContact CE1-CG1 4.32Å; F504-V510 HydrophobicContact CE1-CG2 4.12Å; F504-V510 HydrophobicContact CZ-CG2 4.09Å; Y505-V510 HydrophobicContact CD1-CB 4.46Å; Y505-V510 HydrophobicContact CD1-CG1 4.5Å; Y505-V510 HydrophobicContact CE1-CG1 4.18Å; A508-V510 HydrophobicContact CB-CG2 4.12Å; A508-V510 PolarHBondContact O-N 3.02Å; V510-P512 WeakPolarHBondContact O-CD 3.44Å |
| 511 | R | 87.3 | Confident | 85.3 | Confident | 129 Ų | 129 | 53.3 Ų | 53.3 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 125 | 175 | -176.3 | 173.2 | 174 | 172.5 | -2.5 | 110.5 | Y547 | R511-Y547 HydrophobicContact CB-CD1 3.91Å; R511-Y547 HydrophobicContact CB-CD2 4.06Å; R511-Y547 HydrophobicContact CB-CE1 3.75Å; R511-Y547 HydrophobicContact CB-CE2 3.91Å; R511-Y547 HydrophobicContact CB-CG 4.07Å; R511-Y547 HydrophobicContact CG-CD1 4Å; R511-Y547 HydrophobicContact CG-CE1 3.66Å |
| 512 | P | 86.9 | Confident | 86.6 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 145.4 | 177.4 | -23.4 | 33 | 0 | 0 | 0 | 112.1 | Y505 V510 F514 F545 F548 | Y505-P512 HydrophobicContact CD1-CB 4.5Å; Y505-P512 HydrophobicContact CD1-CG 4.45Å; Y505-P512 HydrophobicContact CG-CG 4.42Å; V510-P512 WeakPolarHBondContact O-CD 3.44Å; P512-F514 HydrophobicContact CB-CD2 3.86Å; P512-F514 PolarHBondContact O-N 3.33Å; P512-F545 HydrophobicContact CB-CD1 4.44Å; P512-F545 HydrophobicContact CB-CE1 4.19Å; P512-F545 HydrophobicContact CB-CZ 4.42Å; P512-F545 HydrophobicContact CG-CB 4.24Å; P512-F545 HydrophobicContact CG-CD1 3.47Å; P512-F545 VanDerWaalsContact CG-CD1 3.47Å; P512-F545 HydrophobicContact CG-CD2 4.05Å; P512-F545 HydrophobicContact CG-CE1 3.67Å; P512-F545 HydrophobicContact CG-CE2 4.22Å; P512-F545 HydrophobicContact CG-CG 3.64Å; P512-F545 HydrophobicContact CG-CZ 4.04Å; P512-F548 HydrophobicContact CG-CE2 4.41Å |
| 513 | P | 86.3 | Confident | 87.8 | Confident | 94 Ų | 94 | 47.8 Ų | 47.8 | 61% | 0.61 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -75.8 | 26 | -176.7 | 33.1 | -37.9 | 0 | 0 | 0 | 114 | Y505 | Y505-P513 VanDerWaalsContact CZ-CD 3.47Å; Y505-P513 WeakPolarHBondContact OH-CD 3.37Å |
| 514 | F | 89 | Confident | 88.8 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 17% | 0.167 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -114.9 | 150.5 | -173.1 | -56.7 | -71.9 | 0 | 0 | 0 | 111.4 | E497 I498 P512 L519 | E497-F514 HydrophobicContact CB-CE1 4.45Å; I498-F514 HydrophobicContact CG1-CD2 4.49Å; I498-F514 HydrophobicContact CG1-CE1 4.24Å; I498-F514 HydrophobicContact CG1-CE2 3.88Å; I498-F514 HydrophobicContact CG1-CZ 3.73Å; P512-F514 HydrophobicContact CB-CD2 3.86Å; P512-F514 PolarHBondContact O-N 3.33Å; F514-L519 HydrophobicContact CB-CD1 4.38Å; F514-L519 HydrophobicContact CB-CD2 3.8Å; F514-L519 HydrophobicContact CB-CG 3.9Å; F514-L519 HydrophobicContact CD2-CD2 4.24Å; F514-L519 HydrophobicContact CG-CD2 4.28Å |
| 515 | T | 93.6 | Very high | 89.4 | Confident | 85 Ų | 85 | 40.6 Ų | 40.6 | 52% | 0.521 | 21% | 0.212 | S | C | . | . | trans | -74.6 | 150.3 | 175.1 | 60.6 | 0 | 0 | 0 | 0 | 110.9 | A517 T518 L519 | T515-A517 PolarHBondContact O-N 3.47Å; T515-T518 PolarHBondContact O-N 2.84Å; T515-T518 PolarHBondContact OG1-N 3.48Å; T515-T518 PolarHBondContact OG1-OG1 3.35Å; T515-L519 PolarHBondContact O-N 3.25Å | ||
| 516 | Y | 95.1 | Very high | 89.7 | Confident | 35 Ų | 35 | 41.6 Ų | 41.6 | 14% | 0.137 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -51.6 | -43.7 | 174.4 | -75.3 | -67.7 | 0 | 0 | 0 | 111.6 | T518 L519 I520 F541 F548 W555 A558 V559 N562 | Y516-T518 VanDerWaalsContact C-N 3.32Å; Y516-T518 PolarHBondContact O-N 3.37Å; Y516-L519 PolarHBondContact O-N 3.44Å; Y516-I520 WeakPolarHBondContact O-CB 3.48Å; Y516-I520 WeakPolarHBondContact O-CD1 3.43Å; Y516-I520 WeakPolarHBondContact O-CG1 3.47Å; Y516-I520 PolarHBondContact O-N 3.44Å; Y516-F541 AromaticContact CD1-CE1 3.81Å; Y516-F541 HydrophobicContact CD1-CE1 3.81Å; Y516-F541 HydrophobicContact CD1-CZ 4.19Å; Y516-F541 HydrophobicContact CE1-CE1 4.06Å; Y516-F548 AromaticContact CE1-CE1 3.86Å; Y516-F548 HydrophobicContact CE1-CE1 3.86Å; Y516-F548 HydrophobicContact CE1-CZ 4.1Å; Y516-W555 HydrophobicContact CE1-CB 4.33Å; Y516-A558 HydrophobicContact CD2-CB 4.09Å; Y516-A558 HydrophobicContact CE1-CB 4.41Å; Y516-A558 HydrophobicContact CE2-CB 3.62Å; Y516-V559 HydrophobicContact CD1-CG2 4.14Å; Y516-V559 HydrophobicContact CE1-CG2 4.44Å; Y516-N562 WeakPolarHBondContact CB-OD1 3.27Å |
| 517 | A | 94.2 | Very high | 90.1 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.7 | -36 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T515 R521 F569 | T515-A517 PolarHBondContact O-N 3.47Å; A517-R521 WeakPolarHBondContact O-CB 3.45Å; A517-R521 PolarHBondContact O-N 3.5Å; A517-R521 VanDerWaalsContact O-N 3.17Å; A517-F569 HydrophobicContact CB-CE2 4.21Å; A517-F569 HydrophobicContact CB-CZ 4.21Å; A517-F569 WeakPolarHBondContact O-CZ 3.39Å |
| 518 | T | 93.1 | Very high | 90.4 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.2 | -40.8 | 176.3 | -51.6 | 0 | 0 | 0 | 0 | 110.8 | F495 T515 Y516 Q522 R591 | F495-T518 HydrophobicContact CD2-CG2 4.49Å; F495-T518 HydrophobicContact CE2-CG2 4.03Å; F495-T518 HydrophobicContact CZ-CG2 4.32Å; T515-T518 PolarHBondContact O-N 2.84Å; T515-T518 PolarHBondContact OG1-N 3.48Å; T515-T518 PolarHBondContact OG1-OG1 3.35Å; Y516-T518 VanDerWaalsContact C-N 3.32Å; Y516-T518 PolarHBondContact O-N 3.37Å; T518-Q522 PolarHBondContact O-N 3.36Å; T518-R591 PolarHBondContact OG1-NH1 3.2Å |
| 519 | L | 93.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.8 | -40.4 | 179.4 | -65.4 | -179.5 | 0 | 0 | 0 | 113 | F514 T515 Y516 Q522 A523 W540 F541 F545 F548 | F514-L519 HydrophobicContact CB-CD1 4.38Å; F514-L519 HydrophobicContact CB-CD2 3.8Å; F514-L519 HydrophobicContact CB-CG 3.9Å; F514-L519 HydrophobicContact CD2-CD2 4.24Å; F514-L519 HydrophobicContact CG-CD2 4.28Å; T515-L519 PolarHBondContact O-N 3.25Å; Y516-L519 PolarHBondContact O-N 3.44Å; L519-Q522 PolarHBondContact O-N 2.99Å; L519-A523 PolarHBondContact O-N 3.11Å; L519-W540 HydrophobicContact CB-CZ3 4.31Å; L519-W540 HydrophobicContact CD2-CH2 4.49Å; L519-F541 HydrophobicContact CB-CE1 4.19Å; L519-F541 HydrophobicContact CB-CE2 4.14Å; L519-F541 HydrophobicContact CB-CZ 3.54Å; L519-F541 HydrophobicContact CD1-CE1 4.09Å; L519-F541 HydrophobicContact CD1-CZ 4.29Å; L519-F545 HydrophobicContact CD1-CE2 4.05Å; L519-F545 HydrophobicContact CD2-CE2 3.79Å; L519-F545 HydrophobicContact CD2-CZ 3.68Å; L519-F545 HydrophobicContact CG-CE2 4.46Å; L519-F548 HydrophobicContact CD1-CE2 4.22Å; L519-F548 HydrophobicContact CD1-CZ 4.37Å |
| 520 | I | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 174.9 | -67.6 | 163.3 | 0 | 0 | 0 | 110.2 | Y516 Q522 A523 I524 I537 F541 V559 N562 L563 F569 | Y516-I520 WeakPolarHBondContact O-CB 3.48Å; Y516-I520 WeakPolarHBondContact O-CD1 3.43Å; Y516-I520 WeakPolarHBondContact O-CG1 3.47Å; Y516-I520 PolarHBondContact O-N 3.44Å; I520-Q522 PolarHBondContact O-N 3.42Å; I520-A523 PolarHBondContact O-N 3.06Å; I520-I524 HydrophobicContact CG2-CD1 3.88Å; I520-I524 WeakPolarHBondContact O-CG1 3.36Å; I520-I524 PolarHBondContact O-N 3.37Å; I520-I524 VanDerWaalsContact O-N 3.07Å; I520-I537 HydrophobicContact CG1-CG2 4.45Å; I520-F541 HydrophobicContact CG1-CE2 3.95Å; I520-F541 HydrophobicContact CG1-CZ 3.97Å; I520-V559 HydrophobicContact CD1-CB 4.46Å; I520-V559 HydrophobicContact CD1-CG1 4.08Å; I520-V559 HydrophobicContact CD1-CG2 4.39Å; I520-V559 HydrophobicContact CG1-CG1 4.4Å; I520-N562 HydrophobicContact CD1-CB 3.75Å; I520-L563 HydrophobicContact CD1-CG 4.5Å; I520-L563 HydrophobicContact CG2-CD2 3.69Å; I520-F569 HydrophobicContact CB-CE1 4.19Å; I520-F569 HydrophobicContact CB-CE2 4.45Å; I520-F569 HydrophobicContact CB-CZ 3.87Å; I520-F569 HydrophobicContact CG2-CD1 4.02Å; I520-F569 HydrophobicContact CG2-CE1 3.58Å; I520-F569 HydrophobicContact CG2-CE2 4.16Å; I520-F569 HydrophobicContact CG2-CG 4.5Å; I520-F569 HydrophobicContact CG2-CZ 3.66Å |
| 521 | R | 94.7 | Very high | 91.5 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 6% | 0.064 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.8 | -45.4 | 173.3 | 176 | 178.8 | 177.8 | -76.3 | 14.7 | 111.6 | F495 A517 I524 M525 F569 V582 E584 Y587 | F495-R521 VanDerWaalsContact CE2-NH1 3.27Å; A517-R521 WeakPolarHBondContact O-CB 3.45Å; A517-R521 PolarHBondContact O-N 3.5Å; A517-R521 VanDerWaalsContact O-N 3.17Å; R521-I524 PolarHBondContact O-N 3.5Å; R521-M525 HydrophobicContact CG-CG 4.33Å; R521-M525 HydrophobicContact CG-SD 3.82Å; R521-M525 PolarHBondContact NH1-SD 3.31Å; R521-M525 WeakPolarHBondContact O-CB 3.44Å; R521-M525 WeakPolarHBondContact O-CG 3.49Å; R521-M525 PolarHBondContact O-N 3.29Å; R521-F569 HydrophobicContact CB-CE1 4.44Å; R521-V582 HydrophobicContact CB-CG2 4.42Å; R521-V582 HydrophobicContact CG-CG1 4.17Å; R521-V582 HydrophobicContact CG-CG2 4.3Å; R521-E584 IonicContact CZ-OE1 3.71Å; R521-E584 IonicContact CZ-OE2 3.26Å; R521-E584 VanDerWaalsContact CZ-OE2 3.26Å; R521-E584 IonicContact NE-OE1 3.81Å; R521-E584 IonicContact NE-OE2 2.71Å; R521-E584 PolarHBondContact NE-OE2 3.48Å; R521-E584 IonicContact NH2-OE1 2.77Å; R521-E584 PolarHBondContact NH2-OE1 3.46Å; R521-E584 IonicContact NH2-OE2 3.01Å; R521-E584 PolarHBondContact NH2-OE2 3.1Å; R521-Y587 VanDerWaalsContact CD-CD1 3.5Å |
| 522 | Q | 93.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 177.6 | -173.7 | 57.6 | 42.1 | 0 | 0 | 111.5 | F493 F495 T518 L519 I520 I524 M525 D526 W540 | F493-Q522 HydrophobicContact CD1-CG 4.22Å; F495-Q522 VanDerWaalsContact CD2-OE1 3.28Å; T518-Q522 PolarHBondContact O-N 3.36Å; L519-Q522 PolarHBondContact O-N 2.99Å; I520-Q522 PolarHBondContact O-N 3.42Å; Q522-I524 VanDerWaalsContact C-N 3.31Å; Q522-I524 PolarHBondContact O-N 3.48Å; Q522-M525 CarbonylContact O-C 3.56Å; Q522-M525 PolarHBondContact O-N 3Å; Q522-D526 PolarHBondContact NE2-OD1 2.81Å; Q522-D526 WeakPolarHBondContact O-CB 3.42Å; Q522-D526 PolarHBondContact O-N 3.23Å; Q522-W540 HydrophobicContact CB-CH2 4.11Å; Q522-W540 HydrophobicContact CB-CZ2 4.18Å; Q522-W540 HydrophobicContact CG-CH2 4.18Å; Q522-W540 HydrophobicContact CG-CZ2 3.83Å |
| 523 | A | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.7 | -45.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L519 I520 D526 L532 W540 | L519-A523 PolarHBondContact O-N 3.11Å; I520-A523 PolarHBondContact O-N 3.06Å; A523-D526 WeakPolarHBondContact O-CB 3.5Å; A523-D526 PolarHBondContact O-N 3.48Å; A523-L532 HydrophobicContact CB-CD1 4.34Å; A523-L532 WeakPolarHBondContact O-CD1 3.5Å; A523-W540 HydrophobicContact CB-CB 4.16Å; A523-W540 HydrophobicContact CB-CD2 3.47Å; A523-W540 VanDerWaalsContact CB-CD2 3.47Å; A523-W540 HydrophobicContact CB-CE3 3.6Å; A523-W540 HydrophobicContact CB-CG 3.74Å; A523-W540 HydrophobicContact CB-CZ2 4.46Å; A523-W540 HydrophobicContact CB-CZ3 4.13Å |
| 524 | I | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.4 | -39.3 | 179.9 | -63.5 | 166 | 0 | 0 | 0 | 111 | I520 R521 Q522 D526 S527 M530 L532 I537 F569 W580 V582 | I520-I524 HydrophobicContact CG2-CD1 3.88Å; I520-I524 WeakPolarHBondContact O-CG1 3.36Å; I520-I524 PolarHBondContact O-N 3.37Å; I520-I524 VanDerWaalsContact O-N 3.07Å; R521-I524 PolarHBondContact O-N 3.5Å; Q522-I524 VanDerWaalsContact C-N 3.31Å; Q522-I524 PolarHBondContact O-N 3.48Å; I524-D526 VanDerWaalsContact C-N 3.35Å; I524-S527 WeakPolarHBondContact O-CB 3.48Å; I524-S527 PolarHBondContact O-N 3.26Å; I524-S527 PolarHBondContact O-OG 3.35Å; I524-M530 WeakPolarHBondContact CG2-O 3.47Å; I524-L532 HydrophobicContact CG1-CB 4.34Å; I524-I537 HydrophobicContact CD1-CD1 4.12Å; I524-I537 HydrophobicContact CG1-CD1 4.12Å; I524-I537 HydrophobicContact CG1-CG1 4.38Å; I524-F569 HydrophobicContact CD1-CD1 4.3Å; I524-W580 HydrophobicContact CD1-CB 4.22Å; I524-V582 HydrophobicContact CB-CG2 3.84Å; I524-V582 HydrophobicContact CD1-CG2 3.78Å; I524-V582 HydrophobicContact CG1-CG2 4.41Å; I524-V582 HydrophobicContact CG2-CG2 3.84Å |
| 525 | M | 91.1 | Very high | 93.1 | Very high | 53 Ų | 53 | 42.6 Ų | 42.6 | 26% | 0.261 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -76.7 | -14.8 | 177.2 | -66.6 | -174.2 | 75.6 | 0 | 0 | 114.8 | I494 R521 Q522 | I494-M525 HydrophobicContact CG1-CB 4.42Å; I494-M525 HydrophobicContact CG1-CE 4.47Å; I494-M525 HydrophobicContact CG2-CE 4.19Å; R521-M525 HydrophobicContact CG-CG 4.33Å; R521-M525 HydrophobicContact CG-SD 3.82Å; R521-M525 PolarHBondContact NH1-SD 3.31Å; R521-M525 WeakPolarHBondContact O-CB 3.44Å; R521-M525 WeakPolarHBondContact O-CG 3.49Å; R521-M525 PolarHBondContact O-N 3.29Å; Q522-M525 CarbonylContact O-C 3.56Å; Q522-M525 PolarHBondContact O-N 3Å |
| 526 | D | 88.9 | Confident | 93.1 | Very high | 55 Ų | 55 | 42.8 Ų | 42.8 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -18.5 | 167.8 | -103.9 | 24.4 | 0 | 0 | 0 | 111.8 | Q522 A523 I524 W540 | Q522-D526 PolarHBondContact NE2-OD1 2.81Å; Q522-D526 WeakPolarHBondContact O-CB 3.42Å; Q522-D526 PolarHBondContact O-N 3.23Å; A523-D526 WeakPolarHBondContact O-CB 3.5Å; A523-D526 PolarHBondContact O-N 3.48Å; I524-D526 VanDerWaalsContact C-N 3.35Å; D526-W540 PolarHBondContact OD2-NE1 2.93Å |
| 527 | S | 89.9 | Confident | 93.2 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 15% | 0.147 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -86.4 | 138.7 | 179.5 | 76.4 | 0 | 0 | 0 | 0 | 111.6 | I524 D529 M530 Q531 | I524-S527 WeakPolarHBondContact O-CB 3.48Å; I524-S527 PolarHBondContact O-N 3.26Å; I524-S527 PolarHBondContact O-OG 3.35Å; S527-D529 PolarHBondContact O-N 3.39Å; S527-M530 PolarHBondContact O-N 3.49Å; S527-M530 WeakPolarHBondContact OG-CA 3.41Å; S527-M530 PolarHBondContact OG-N 3.07Å; S527-Q531 PolarHBondContact OG-N 3.36Å; S527-Q531 VanDerWaalsContact OG-N 3.08Å; S527-Q531 PolarHBondContact OG-O 2.88Å |
| 528 | A | 86.8 | Confident | 93.3 | Very high | 104 Ų | 104 | 42 Ų | 42 | 86% | 0.86 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -35.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M530 | A528-M530 VanDerWaalsContact C-N 3.32Š|
| 529 | D | 87.3 | Confident | 93.3 | Very high | 115 Ų | 115 | 43.8 Ų | 43.8 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -3.3 | -179.6 | -65.6 | 5.6 | 0 | 0 | 0 | 113.6 | S527 Q531 | S527-D529 PolarHBondContact O-N 3.39Å; D529-Q531 HydrophobicContact CB-CG 3.64Å; D529-Q531 PolarHBondContact O-N 3.22Å; D529-Q531 VanDerWaalsContact O-N 3.16Å; D529-Q531 PolarHBondContact OD2-NE2 3.38Å; D529-Q531 VanDerWaalsContact OD2-NE2 3.11Å |
| 530 | M | 91.5 | Very high | 93.4 | Very high | 120 Ų | 120 | 44.6 Ų | 44.6 | 59% | 0.591 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 51.3 | 30.2 | -169.4 | -59.6 | -168.9 | -66.1 | 0 | 0 | 114.5 | I524 S527 A528 | I524-M530 WeakPolarHBondContact CG2-O 3.47Å; S527-M530 PolarHBondContact O-N 3.49Å; S527-M530 WeakPolarHBondContact OG-CA 3.41Å; S527-M530 PolarHBondContact OG-N 3.07Å; A528-M530 VanDerWaalsContact C-N 3.32Å |
| 531 | Q | 93.1 | Very high | 93.3 | Very high | 48 Ų | 48 | 44.6 Ų | 44.6 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 138.3 | -179.7 | 76.5 | -164.5 | -18.4 | 0 | 0 | 109.9 | S527 D529 V579 W580 T581 | S527-Q531 PolarHBondContact OG-N 3.36Å; S527-Q531 VanDerWaalsContact OG-N 3.08Å; S527-Q531 PolarHBondContact OG-O 2.88Å; D529-Q531 HydrophobicContact CB-CG 3.64Å; D529-Q531 PolarHBondContact O-N 3.22Å; D529-Q531 VanDerWaalsContact O-N 3.16Å; D529-Q531 PolarHBondContact OD2-NE2 3.38Å; D529-Q531 VanDerWaalsContact OD2-NE2 3.11Å; Q531-V579 HydrophobicContact CB-CB 4.21Å; Q531-V579 HydrophobicContact CB-CG2 4Å; Q531-V579 HydrophobicContact CG-CB 4.3Å; Q531-V579 HydrophobicContact CG-CG1 4.41Å; Q531-V579 HydrophobicContact CG-CG2 4.15Å; Q531-W580 WeakPolarHBondContact CA-O 3.48Å; Q531-T581 HydrophobicContact CB-CG2 3.7Å |
| 532 | L | 95.2 | Very high | 93.2 | Very high | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.12 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 144 | 173.5 | -73.9 | -175 | 0 | 0 | 0 | 111.8 | A523 I524 E536 I537 W580 | A523-L532 HydrophobicContact CB-CD1 4.34Å; A523-L532 WeakPolarHBondContact O-CD1 3.5Å; I524-L532 HydrophobicContact CG1-CB 4.34Å; L532-E536 HydrophobicContact CB-CB 4.21Å; L532-E536 HydrophobicContact CD1-CB 4.3Å; L532-E536 HydrophobicContact CD2-CB 3.83Å; L532-E536 HydrophobicContact CD2-CG 4.49Å; L532-E536 HydrophobicContact CG-CB 4.36Å; L532-I537 HydrophobicContact CB-CD1 4.38Å; L532-I537 HydrophobicContact CB-CG1 3.83Å; L532-I537 HydrophobicContact CD1-CG1 4.14Å; L532-W580 PolarHBondContact N-O 3.17Å; L532-W580 PolarHBondContact O-N 3.2Å |
| 533 | T | 96.3 | Very high | 93.1 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 27% | 0.27 | 29% | 0.291 | S | S | . | . | trans | -65.2 | 159.1 | 165.4 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | N535 E536 I537 V579 | T533-N535 PolarHBondContact O-N 2.84Å; T533-N535 VanDerWaalsContact O-N 3.14Å; T533-N535 PolarHBondContact OG1-N 3.17Å; T533-E536 WeakPolarHBondContact CA-OE2 3.36Å; T533-E536 WeakPolarHBondContact CB-OE2 3.34Å; T533-E536 VanDerWaalsContact CG2-OE2 3.29Å; T533-E536 WeakPolarHBondContact CG2-OE2 3.49Å; T533-E536 PolarHBondContact N-OE2 3.49Å; T533-E536 PolarHBondContact O-N 3.36Å; T533-E536 VanDerWaalsContact O-N 3.14Å; T533-E536 VanDerWaalsContact OG1-CD 3.27Å; T533-E536 PolarHBondContact OG1-N 2.91Å; T533-E536 PolarHBondContact OG1-OE2 3.42Å; T533-I537 WeakPolarHBondContact O-CG1 3.16Å; T533-I537 PolarHBondContact O-N 3.43Å; T533-V579 HydrophobicContact CG2-CG1 3.99Å | ||
| 534 | L | 95.9 | Very high | 92.7 | Very high | 50 Ų | 50 | 55 Ų | 55 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.9 | -30.7 | 174 | 179.6 | 60.9 | 0 | 0 | 0 | 112.7 | Y538 V559 R560 L563 | L534-Y538 HydrophobicContact CD1-CD1 4.39Å; L534-Y538 HydrophobicContact CD1-CE1 3.67Å; L534-Y538 HydrophobicContact CD1-CE2 4.4Å; L534-Y538 HydrophobicContact CD2-CE2 4.41Å; L534-Y538 HydrophobicContact CG-CE1 4.1Å; L534-Y538 HydrophobicContact CG-CE2 3.91Å; L534-Y538 WeakPolarHBondContact O-CD2 3.42Å; L534-Y538 VanDerWaalsContact O-CG 3.23Å; L534-Y538 PolarHBondContact O-N 2.97Å; L534-Y538 VanDerWaalsContact O-N 3.15Å; L534-V559 HydrophobicContact CD1-CG1 4.24Å; L534-R560 HydrophobicContact CD1-CG 4.2Å; L534-R560 HydrophobicContact CD2-CG 4.02Å; L534-L563 HydrophobicContact CD1-CD1 3.59Å |
| 535 | N | 95.7 | Very high | 92.5 | Very high | 103 Ų | 103 | 55 Ų | 55 | 55% | 0.551 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -74.4 | -40 | 178.7 | -170.1 | 60.2 | 0 | 0 | 0 | 112.2 | T533 I537 Y538 S539 | T533-N535 PolarHBondContact O-N 2.84Å; T533-N535 VanDerWaalsContact O-N 3.14Å; T533-N535 PolarHBondContact OG1-N 3.17Å; N535-I537 VanDerWaalsContact C-N 3.34Å; N535-Y538 WeakPolarHBondContact O-CB 3.42Å; N535-Y538 PolarHBondContact O-N 2.99Å; N535-Y538 VanDerWaalsContact O-N 3.15Å; N535-S539 PolarHBondContact O-N 3.36Å; N535-S539 PolarHBondContact O-OG 3.21Å; N535-S539 VanDerWaalsContact O-OG 3.12Å |
| 536 | E | 95.5 | Very high | 92.4 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 42% | 0.416 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.9 | -35.4 | 175.9 | -69.4 | 149.8 | 147.3 | 0 | 0 | 111.6 | L532 T533 Y538 S539 W540 | L532-E536 HydrophobicContact CB-CB 4.21Å; L532-E536 HydrophobicContact CD1-CB 4.3Å; L532-E536 HydrophobicContact CD2-CB 3.83Å; L532-E536 HydrophobicContact CD2-CG 4.49Å; L532-E536 HydrophobicContact CG-CB 4.36Å; T533-E536 WeakPolarHBondContact CA-OE2 3.36Å; T533-E536 WeakPolarHBondContact CB-OE2 3.34Å; T533-E536 VanDerWaalsContact CG2-OE2 3.29Å; T533-E536 WeakPolarHBondContact CG2-OE2 3.49Å; T533-E536 PolarHBondContact N-OE2 3.49Å; T533-E536 PolarHBondContact O-N 3.36Å; T533-E536 VanDerWaalsContact O-N 3.14Å; T533-E536 VanDerWaalsContact OG1-CD 3.27Å; T533-E536 PolarHBondContact OG1-N 2.91Å; T533-E536 PolarHBondContact OG1-OE2 3.42Å; E536-Y538 VanDerWaalsContact C-N 3.33Å; E536-Y538 PolarHBondContact O-N 3.09Å; E536-S539 PolarHBondContact O-N 2.94Å; E536-W540 WeakPolarHBondContact O-CB 3.19Å; E536-W540 PolarHBondContact O-N 3.32Å |
| 537 | I | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 169.6 | -63.4 | 168.7 | 0 | 0 | 0 | 110.4 | I520 I524 L532 T533 N535 S539 W540 F541 V559 L563 W580 | I520-I537 HydrophobicContact CG1-CG2 4.45Å; I524-I537 HydrophobicContact CD1-CD1 4.12Å; I524-I537 HydrophobicContact CG1-CD1 4.12Å; I524-I537 HydrophobicContact CG1-CG1 4.38Å; L532-I537 HydrophobicContact CB-CD1 4.38Å; L532-I537 HydrophobicContact CB-CG1 3.83Å; L532-I537 HydrophobicContact CD1-CG1 4.14Å; T533-I537 WeakPolarHBondContact O-CG1 3.16Å; T533-I537 PolarHBondContact O-N 3.43Å; N535-I537 VanDerWaalsContact C-N 3.34Å; I537-S539 PolarHBondContact O-N 3.39Å; I537-W540 PolarHBondContact O-N 2.92Å; I537-F541 HydrophobicContact CG2-CD2 4.05Å; I537-F541 HydrophobicContact CG2-CE2 4.05Å; I537-F541 VanDerWaalsContact O-CD2 3.29Å; I537-F541 WeakPolarHBondContact O-CD2 3.39Å; I537-F541 PolarHBondContact O-N 2.88Å; I537-V559 HydrophobicContact CG2-CG1 4.01Å; I537-L563 HydrophobicContact CD1-CD1 4.37Å; I537-L563 HydrophobicContact CD1-CD2 4.42Å; I537-W580 HydrophobicContact CD1-CB 4.22Å |
| 538 | Y | 96.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 11% | 0.106 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 173.9 | -62.3 | -27 | 0 | 0 | 0 | 112.5 | L534 N535 E536 F541 T542 W555 K556 V559 R560 | L534-Y538 HydrophobicContact CD1-CD1 4.39Å; L534-Y538 HydrophobicContact CD1-CE1 3.67Å; L534-Y538 HydrophobicContact CD1-CE2 4.4Å; L534-Y538 HydrophobicContact CD2-CE2 4.41Å; L534-Y538 HydrophobicContact CG-CE1 4.1Å; L534-Y538 HydrophobicContact CG-CE2 3.91Å; L534-Y538 WeakPolarHBondContact O-CD2 3.42Å; L534-Y538 VanDerWaalsContact O-CG 3.23Å; L534-Y538 PolarHBondContact O-N 2.97Å; L534-Y538 VanDerWaalsContact O-N 3.15Å; N535-Y538 WeakPolarHBondContact O-CB 3.42Å; N535-Y538 PolarHBondContact O-N 2.99Å; N535-Y538 VanDerWaalsContact O-N 3.15Å; E536-Y538 VanDerWaalsContact C-N 3.33Å; E536-Y538 PolarHBondContact O-N 3.09Å; Y538-F541 PolarHBondContact O-N 3.4Å; Y538-T542 PolarHBondContact O-N 2.98Å; Y538-T542 PolarHBondContact O-OG1 3.44Å; Y538-W555 HydrophobicContact CD1-CH2 4.29Å; Y538-W555 AromaticContact CD1-CZ3 3.78Å; Y538-W555 HydrophobicContact CD1-CZ3 3.78Å; Y538-W555 HydrophobicContact CG-CH2 4.46Å; Y538-W555 HydrophobicContact CG-CZ3 4.39Å; Y538-K556 HydrophobicContact CD1-CB 4.34Å; Y538-K556 HydrophobicContact CD1-CD 4.15Å; Y538-K556 HydrophobicContact CD1-CG 3.74Å; Y538-K556 HydrophobicContact CD2-CD 3.96Å; Y538-K556 HydrophobicContact CD2-CG 4.45Å; Y538-K556 HydrophobicContact CE1-CB 3.69Å; Y538-K556 HydrophobicContact CE1-CD 4.1Å; Y538-K556 HydrophobicContact CE1-CG 3.61Å; Y538-K556 HydrophobicContact CE2-CD 3.92Å; Y538-K556 HydrophobicContact CE2-CG 4.36Å; Y538-K556 HydrophobicContact CG-CD 4.06Å; Y538-K556 HydrophobicContact CG-CG 4.16Å; Y538-V559 HydrophobicContact CD1-CG1 4.49Å; Y538-V559 HydrophobicContact CE1-CB 4.4Å; Y538-V559 HydrophobicContact CE1-CG1 4.17Å; Y538-R560 WeakPolarHBondContact OH-CG 3.36Å; Y538-R560 PolarHBondContact OH-NH1 3.02Å; Y538-R560 VanDerWaalsContact OH-NH1 3.13Å |
| 539 | S | 94.8 | Very high | 92.8 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 33% | 0.329 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 178.1 | -62 | 0 | 0 | 0 | 0 | 112.7 | N535 E536 I537 T542 R543 | N535-S539 PolarHBondContact O-N 3.36Å; N535-S539 PolarHBondContact O-OG 3.21Å; N535-S539 VanDerWaalsContact O-OG 3.12Å; E536-S539 PolarHBondContact O-N 2.94Å; I537-S539 PolarHBondContact O-N 3.39Å; S539-T542 PolarHBondContact O-OG1 3.48Å; S539-R543 WeakPolarHBondContact O-CB 3.33Å; S539-R543 PolarHBondContact O-N 3.4Å |
| 540 | W | 94.4 | Very high | 92.9 | Very high | 19 Ų | 19 | 57 Ų | 57 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -48.9 | 173.1 | -172.7 | 96.7 | 0 | 0 | 0 | 110.2 | F493 L519 Q522 A523 D526 E536 I537 T542 R543 T544 F545 | F493-W540 HydrophobicContact CE1-CZ2 4.45Å; L519-W540 HydrophobicContact CB-CZ3 4.31Å; L519-W540 HydrophobicContact CD2-CH2 4.49Å; Q522-W540 HydrophobicContact CB-CH2 4.11Å; Q522-W540 HydrophobicContact CB-CZ2 4.18Å; Q522-W540 HydrophobicContact CG-CH2 4.18Å; Q522-W540 HydrophobicContact CG-CZ2 3.83Å; A523-W540 HydrophobicContact CB-CB 4.16Å; A523-W540 HydrophobicContact CB-CD2 3.47Å; A523-W540 VanDerWaalsContact CB-CD2 3.47Å; A523-W540 HydrophobicContact CB-CE3 3.6Å; A523-W540 HydrophobicContact CB-CG 3.74Å; A523-W540 HydrophobicContact CB-CZ2 4.46Å; A523-W540 HydrophobicContact CB-CZ3 4.13Å; D526-W540 PolarHBondContact OD2-NE1 2.93Å; E536-W540 WeakPolarHBondContact O-CB 3.19Å; E536-W540 PolarHBondContact O-N 3.32Å; I537-W540 PolarHBondContact O-N 2.92Å; W540-T542 VanDerWaalsContact C-N 3.31Å; W540-T542 PolarHBondContact O-N 3.22Å; W540-R543 PolarHBondContact O-N 2.98Å; W540-T544 HydrophobicContact CD2-CG2 4.44Å; W540-T544 HydrophobicContact CE3-CG2 4.41Å; W540-T544 HydrophobicContact CH2-CG2 3.8Å; W540-T544 HydrophobicContact CZ2-CG2 3.77Å; W540-T544 HydrophobicContact CZ3-CG2 4.12Å; W540-T544 WeakPolarHBondContact O-CB 3.32Å; W540-T544 PolarHBondContact O-N 2.93Å; W540-T544 PolarHBondContact O-OG1 2.96Å; W540-F545 HydrophobicContact CH2-CE2 4.05Å; W540-F545 HydrophobicContact CH2-CZ 4.33Å; W540-F545 AromaticContact CZ3-CE2 3.78Å; W540-F545 HydrophobicContact CZ3-CE2 3.78Å; W540-F545 HydrophobicContact CZ3-CZ 4.49Å |
| 541 | F | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56 | -39.6 | 179.8 | -94.8 | -110.3 | 0 | 0 | 0 | 113.7 | Y516 L519 I520 I537 Y538 F545 F548 W555 V559 | Y516-F541 AromaticContact CD1-CE1 3.81Å; Y516-F541 HydrophobicContact CD1-CE1 3.81Å; Y516-F541 HydrophobicContact CD1-CZ 4.19Å; Y516-F541 HydrophobicContact CE1-CE1 4.06Å; L519-F541 HydrophobicContact CB-CE1 4.19Å; L519-F541 HydrophobicContact CB-CE2 4.14Å; L519-F541 HydrophobicContact CB-CZ 3.54Å; L519-F541 HydrophobicContact CD1-CE1 4.09Å; L519-F541 HydrophobicContact CD1-CZ 4.29Å; I520-F541 HydrophobicContact CG1-CE2 3.95Å; I520-F541 HydrophobicContact CG1-CZ 3.97Å; I537-F541 HydrophobicContact CG2-CD2 4.05Å; I537-F541 HydrophobicContact CG2-CE2 4.05Å; I537-F541 VanDerWaalsContact O-CD2 3.29Å; I537-F541 WeakPolarHBondContact O-CD2 3.39Å; I537-F541 PolarHBondContact O-N 2.88Å; Y538-F541 PolarHBondContact O-N 3.4Å; F541-F545 PolarHBondContact O-N 3.41Å; F541-F548 HydrophobicContact CB-CB 4.48Å; F541-F548 HydrophobicContact CB-CD2 4.37Å; F541-F548 HydrophobicContact CD1-CD1 4.26Å; F541-F548 AromaticContact CD1-CD2 3.56Å; F541-F548 HydrophobicContact CD1-CD2 3.56Å; F541-F548 HydrophobicContact CD1-CE1 4.26Å; F541-F548 AromaticContact CD1-CE2 3.58Å; F541-F548 HydrophobicContact CD1-CE2 3.58Å; F541-F548 AromaticContact CD1-CG 3.93Å; F541-F548 HydrophobicContact CD1-CG 3.93Å; F541-F548 AromaticContact CD1-CZ 3.95Å; F541-F548 HydrophobicContact CD1-CZ 3.95Å; F541-F548 HydrophobicContact CE1-CD2 4.32Å; F541-F548 HydrophobicContact CE1-CE1 4.44Å; F541-F548 AromaticContact CE1-CE2 3.87Å; F541-F548 HydrophobicContact CE1-CE2 3.87Å; F541-F548 AromaticContact CE1-CZ 3.94Å; F541-F548 HydrophobicContact CE1-CZ 3.94Å; F541-F548 HydrophobicContact CG-CD2 4.37Å; F541-W555 HydrophobicContact CB-CH2 4.07Å; F541-W555 HydrophobicContact CB-CZ3 3.83Å; F541-W555 HydrophobicContact CD1-CE3 4.35Å; F541-W555 HydrophobicContact CD1-CZ3 4.43Å; F541-W555 HydrophobicContact CG-CZ3 4.27Å; F541-V559 HydrophobicContact CE1-CG2 4.19Å; F541-V559 HydrophobicContact CZ-CG2 4.15Å |
| 542 | T | 93.1 | Very high | 92.6 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 28% | 0.282 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -82.3 | -27.9 | 179.2 | 55 | 0 | 0 | 0 | 0 | 114.2 | Y538 S539 W540 R549 W555 | Y538-T542 PolarHBondContact O-N 2.98Å; Y538-T542 PolarHBondContact O-OG1 3.44Å; S539-T542 PolarHBondContact O-OG1 3.48Å; W540-T542 VanDerWaalsContact C-N 3.31Å; W540-T542 PolarHBondContact O-N 3.22Å; T542-R549 WeakPolarHBondContact O-CG 3.45Å; T542-R549 PolarHBondContact O-NE 3.38Å; T542-W555 HydrophobicContact CG2-CH2 3.9Å; T542-W555 HydrophobicContact CG2-CZ2 3.62Å |
| 543 | R | 91.3 | Very high | 92.5 | Very high | 186 Ų | 186 | 58.8 Ų | 58.8 | 70% | 0.702 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -70.1 | -54.1 | 173.1 | -175.4 | -176.2 | -65.9 | 170.9 | -1.3 | 110.3 | S539 W540 F545 R549 | S539-R543 WeakPolarHBondContact O-CB 3.33Å; S539-R543 PolarHBondContact O-N 3.4Å; W540-R543 PolarHBondContact O-N 2.98Å; R543-F545 PolarHBondContact O-N 3.02Å; R543-R549 PolarHBondContact O-NH2 3.34Å |
| 544 | T | 85.9 | Confident | 92.3 | Very high | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.5 | -31.6 | -171.4 | -56.7 | 0 | 0 | 0 | 0 | 113.4 | Y502 K506 W540 | Y502-T544 HydrophobicContact CE2-CG2 3.79Å; K506-T544 WeakPolarHBondContact CA-O 3.43Å; W540-T544 HydrophobicContact CD2-CG2 4.44Å; W540-T544 HydrophobicContact CE3-CG2 4.41Å; W540-T544 HydrophobicContact CH2-CG2 3.8Å; W540-T544 HydrophobicContact CZ2-CG2 3.77Å; W540-T544 HydrophobicContact CZ3-CG2 4.12Å; W540-T544 WeakPolarHBondContact O-CB 3.32Å; W540-T544 PolarHBondContact O-N 2.93Å; W540-T544 PolarHBondContact O-OG1 2.96Å |
| 545 | F | 90.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | trans | -137.5 | 134.9 | -178.5 | -47.7 | -69.2 | 0 | 0 | 0 | 113.4 | Y505 P512 L519 W540 F541 R543 Y547 F548 | Y505-F545 WeakPolarHBondContact O-CA 3.34Å; P512-F545 HydrophobicContact CB-CD1 4.44Å; P512-F545 HydrophobicContact CB-CE1 4.19Å; P512-F545 HydrophobicContact CB-CZ 4.42Å; P512-F545 HydrophobicContact CG-CB 4.24Å; P512-F545 HydrophobicContact CG-CD1 3.47Å; P512-F545 VanDerWaalsContact CG-CD1 3.47Å; P512-F545 HydrophobicContact CG-CD2 4.05Å; P512-F545 HydrophobicContact CG-CE1 3.67Å; P512-F545 HydrophobicContact CG-CE2 4.22Å; P512-F545 HydrophobicContact CG-CG 3.64Å; P512-F545 HydrophobicContact CG-CZ 4.04Å; L519-F545 HydrophobicContact CD1-CE2 4.05Å; L519-F545 HydrophobicContact CD2-CE2 3.79Å; L519-F545 HydrophobicContact CD2-CZ 3.68Å; L519-F545 HydrophobicContact CG-CE2 4.46Å; W540-F545 HydrophobicContact CH2-CE2 4.05Å; W540-F545 HydrophobicContact CH2-CZ 4.33Å; W540-F545 AromaticContact CZ3-CE2 3.78Å; W540-F545 HydrophobicContact CZ3-CE2 3.78Å; W540-F545 HydrophobicContact CZ3-CZ 4.49Å; F541-F545 PolarHBondContact O-N 3.41Å; R543-F545 PolarHBondContact O-N 3.02Å; F545-Y547 PolarHBondContact O-N 3.3Å; F545-F548 HydrophobicContact CB-CD2 3.88Å; F545-F548 HydrophobicContact CB-CE2 4.31Å; F545-F548 AromaticContact CD2-CD2 3.77Å; F545-F548 HydrophobicContact CD2-CD2 3.77Å; F545-F548 AromaticContact CD2-CE2 3.69Å; F545-F548 HydrophobicContact CD2-CE2 3.69Å; F545-F548 HydrophobicContact CE2-CE2 4.4Å; F545-F548 HydrophobicContact CG-CD2 4.24Å; F545-F548 HydrophobicContact CG-CE2 4.29Å | ||
| 546 | A | 89.4 | Confident | 92.3 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -64.1 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y505 F548 R549 | Y505-A546 PolarHBondContact O-N 2.95Å; A546-F548 PolarHBondContact O-N 3.06Å; A546-F548 VanDerWaalsContact O-N 3.08Å; A546-R549 VanDerWaalsContact O-CB 3.29Å; A546-R549 WeakPolarHBondContact O-CB 3.43Å; A546-R549 WeakPolarHBondContact O-CG 3.47Å; A546-R549 PolarHBondContact O-N 2.76Å |
| 547 | Y | 90.4 | Very high | 92.3 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 34% | 0.337 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -50 | -37 | -178.9 | 177.7 | -102.8 | 0 | 0 | 0 | 114.6 | D509 R511 F545 | D509-Y547 WeakPolarHBondContact O-CD2 3.3Å; R511-Y547 HydrophobicContact CB-CD1 3.91Å; R511-Y547 HydrophobicContact CB-CD2 4.06Å; R511-Y547 HydrophobicContact CB-CE1 3.75Å; R511-Y547 HydrophobicContact CB-CE2 3.91Å; R511-Y547 HydrophobicContact CB-CG 4.07Å; R511-Y547 HydrophobicContact CG-CD1 4Å; R511-Y547 HydrophobicContact CG-CE1 3.66Å; F545-Y547 PolarHBondContact O-N 3.3Å |
| 548 | F | 91.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -84.4 | -4.4 | -179 | -61.3 | -62.1 | 0 | 0 | 0 | 113.9 | P512 Y516 L519 F541 F545 A546 R550 W555 | P512-F548 HydrophobicContact CG-CE2 4.41Å; Y516-F548 AromaticContact CE1-CE1 3.86Å; Y516-F548 HydrophobicContact CE1-CE1 3.86Å; Y516-F548 HydrophobicContact CE1-CZ 4.1Å; L519-F548 HydrophobicContact CD1-CE2 4.22Å; L519-F548 HydrophobicContact CD1-CZ 4.37Å; F541-F548 HydrophobicContact CB-CB 4.48Å; F541-F548 HydrophobicContact CB-CD2 4.37Å; F541-F548 HydrophobicContact CD1-CD1 4.26Å; F541-F548 AromaticContact CD1-CD2 3.56Å; F541-F548 HydrophobicContact CD1-CD2 3.56Å; F541-F548 HydrophobicContact CD1-CE1 4.26Å; F541-F548 AromaticContact CD1-CE2 3.58Å; F541-F548 HydrophobicContact CD1-CE2 3.58Å; F541-F548 AromaticContact CD1-CG 3.93Å; F541-F548 HydrophobicContact CD1-CG 3.93Å; F541-F548 AromaticContact CD1-CZ 3.95Å; F541-F548 HydrophobicContact CD1-CZ 3.95Å; F541-F548 HydrophobicContact CE1-CD2 4.32Å; F541-F548 HydrophobicContact CE1-CE1 4.44Å; F541-F548 AromaticContact CE1-CE2 3.87Å; F541-F548 HydrophobicContact CE1-CE2 3.87Å; F541-F548 AromaticContact CE1-CZ 3.94Å; F541-F548 HydrophobicContact CE1-CZ 3.94Å; F541-F548 HydrophobicContact CG-CD2 4.37Å; F545-F548 HydrophobicContact CB-CD2 3.88Å; F545-F548 HydrophobicContact CB-CE2 4.31Å; F545-F548 AromaticContact CD2-CD2 3.77Å; F545-F548 HydrophobicContact CD2-CD2 3.77Å; F545-F548 AromaticContact CD2-CE2 3.69Å; F545-F548 HydrophobicContact CD2-CE2 3.69Å; F545-F548 HydrophobicContact CE2-CE2 4.4Å; F545-F548 HydrophobicContact CG-CD2 4.24Å; F545-F548 HydrophobicContact CG-CE2 4.29Å; A546-F548 PolarHBondContact O-N 3.06Å; A546-F548 VanDerWaalsContact O-N 3.08Å; F548-R550 PolarHBondContact O-N 3.46Å; F548-W555 HydrophobicContact CB-CD2 4.25Å; F548-W555 HydrophobicContact CB-CZ2 4.18Å; F548-W555 HydrophobicContact CD1-CB 3.88Å; F548-W555 AromaticContact CD1-CD1 3.83Å; F548-W555 HydrophobicContact CD1-CD2 4Å; F548-W555 AromaticContact CD1-CG 3.66Å; F548-W555 HydrophobicContact CD1-CG 3.66Å; F548-W555 HydrophobicContact CE1-CB 4.12Å; F548-W555 HydrophobicContact CE1-CG 4.38Å; F548-W555 HydrophobicContact CG-CD2 4.45Å; F548-W555 HydrophobicContact CG-CG 4.5Å; F548-W555 VanDerWaalsContact O-CZ2 3.28Å; F548-W555 WeakPolarHBondContact O-CZ2 3.42Å; F548-W555 PolarHBondContact O-NE1 2.86Å |
| 549 | R | 91.8 | Very high | 92.4 | Very high | 133 Ų | 133 | 57.1 Ų | 57.1 | 50% | 0.502 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -68.5 | -23.4 | 175.3 | -59.9 | 178.4 | -169.5 | 142 | 11.9 | 112.2 | K506 T542 R543 A546 | K506-R549 PolarHBondContact O-NH1 2.9Å; K506-R549 PolarHBondContact O-NH2 3.41Å; T542-R549 WeakPolarHBondContact O-CG 3.45Å; T542-R549 PolarHBondContact O-NE 3.38Å; R543-R549 PolarHBondContact O-NH2 3.34Å; A546-R549 VanDerWaalsContact O-CB 3.29Å; A546-R549 WeakPolarHBondContact O-CB 3.43Å; A546-R549 WeakPolarHBondContact O-CG 3.47Å; A546-R549 PolarHBondContact O-N 2.76Å |
| 550 | R | 88.3 | Confident | 92.5 | Very high | 164 Ų | 164 | 59.9 Ų | 59.9 | 62% | 0.619 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -103.2 | 163.3 | 174.3 | -53.4 | -166.9 | -164.9 | 105.7 | 14.8 | 111.7 | D509 F548 A552 W555 | D509-R550 IonicContact OD1-CZ 2.73Å; D509-R550 IonicContact OD1-NH1 3.86Å; D509-R550 PolarHBondContact OD1-NH1 2.96Å; D509-R550 IonicContact OD1-NH2 2.64Å; D509-R550 IonicContact OD2-CZ 3.69Å; D509-R550 IonicContact OD2-NH1 3.49Å; D509-R550 PolarHBondContact OD2-NH1 2.69Å; D509-R550 IonicContact OD2-NH2 3.42Å; D509-R550 PolarHBondContact OD2-NH2 3.26Å; F548-R550 PolarHBondContact O-N 3.46Å; R550-A552 PolarHBondContact O-N 3.3Å; R550-W555 PolarHBondContact O-NE1 2.82Å |
| 551 | N | 86.6 | Confident | 92.6 | Very high | 108 Ų | 108 | 63.8 Ų | 63.8 | 58% | 0.578 | 31% | 0.31 | S | S | * | . | trans | 44 | 60.1 | 179.4 | -170.9 | 3.5 | 0 | 0 | 0 | 114.4 | A553 T554 | N551-A553 PolarHBondContact O-N 2.96Å; N551-T554 PolarHBondContact ND2-OG1 3.49Å; N551-T554 PolarHBondContact OD1-N 2.85Å; N551-T554 PolarHBondContact OD1-OG1 3.35Å | ||
| 552 | A | 91.1 | Very high | 92.8 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 37% | 0.372 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.8 | -32.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | R550 K556 | R550-A552 PolarHBondContact O-N 3.3Å; A552-K556 HydrophobicContact CB-CD 4.26Å; A552-K556 WeakPolarHBondContact O-CB 3.46Å; A552-K556 WeakPolarHBondContact O-CG 3.28Å; A552-K556 PolarHBondContact O-N 3.33Å; A552-K556 VanDerWaalsContact O-N 3.08Å |
| 553 | A | 93.5 | Very high | 92.9 | Very high | 77 Ų | 77 | 62.9 Ų | 62.9 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.7 | -49.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N551 N557 | N551-A553 PolarHBondContact O-N 2.96Å; A553-N557 WeakPolarHBondContact O-CB 3.32Å; A553-N557 PolarHBondContact O-N 3.27Å |
| 554 | T | 92.8 | Very high | 93.2 | Very high | 90 Ų | 90 | 58.4 Ų | 58.4 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66 | -50.7 | -175.3 | -55 | 0 | 0 | 0 | 0 | 112.2 | N551 N557 A558 | N551-T554 PolarHBondContact ND2-OG1 3.49Å; N551-T554 PolarHBondContact OD1-N 2.85Å; N551-T554 PolarHBondContact OD1-OG1 3.35Å; T554-N557 PolarHBondContact O-N 3.45Å; T554-A558 PolarHBondContact O-N 3.39Å; T554-A558 VanDerWaalsContact O-N 3.15Å |
| 555 | W | 95.1 | Very high | 93.6 | Very high | 9 Ų | 9 | 63 Ų | 63 | 3% | 0.034 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -78.4 | -33.5 | -174.4 | 68.5 | -105.1 | 0 | 0 | 0 | 113.1 | Y516 Y538 F541 T542 F548 R550 N557 A558 V559 | Y516-W555 HydrophobicContact CE1-CB 4.33Å; Y538-W555 HydrophobicContact CD1-CH2 4.29Å; Y538-W555 AromaticContact CD1-CZ3 3.78Å; Y538-W555 HydrophobicContact CD1-CZ3 3.78Å; Y538-W555 HydrophobicContact CG-CH2 4.46Å; Y538-W555 HydrophobicContact CG-CZ3 4.39Å; F541-W555 HydrophobicContact CB-CH2 4.07Å; F541-W555 HydrophobicContact CB-CZ3 3.83Å; F541-W555 HydrophobicContact CD1-CE3 4.35Å; F541-W555 HydrophobicContact CD1-CZ3 4.43Å; F541-W555 HydrophobicContact CG-CZ3 4.27Å; T542-W555 HydrophobicContact CG2-CH2 3.9Å; T542-W555 HydrophobicContact CG2-CZ2 3.62Å; F548-W555 HydrophobicContact CB-CD2 4.25Å; F548-W555 HydrophobicContact CB-CZ2 4.18Å; F548-W555 HydrophobicContact CD1-CB 3.88Å; F548-W555 AromaticContact CD1-CD1 3.83Å; F548-W555 HydrophobicContact CD1-CD2 4Å; F548-W555 AromaticContact CD1-CG 3.66Å; F548-W555 HydrophobicContact CD1-CG 3.66Å; F548-W555 HydrophobicContact CE1-CB 4.12Å; F548-W555 HydrophobicContact CE1-CG 4.38Å; F548-W555 HydrophobicContact CG-CD2 4.45Å; F548-W555 HydrophobicContact CG-CG 4.5Å; F548-W555 VanDerWaalsContact O-CZ2 3.28Å; F548-W555 WeakPolarHBondContact O-CZ2 3.42Å; F548-W555 PolarHBondContact O-NE1 2.86Å; R550-W555 PolarHBondContact O-NE1 2.82Å; W555-N557 PolarHBondContact O-N 3.28Å; W555-A558 PolarHBondContact O-N 2.97Å; W555-A558 VanDerWaalsContact O-N 3.16Å; W555-V559 HydrophobicContact CE3-CG2 4.18Å; W555-V559 WeakPolarHBondContact O-CG2 3.44Å; W555-V559 PolarHBondContact O-N 3.49Å |
| 556 | K | 95.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 64.8 Ų | 64.8 | 27% | 0.27 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63 | -34.4 | 173.1 | -69.2 | -174.8 | 175.7 | -172.8 | 0 | 111.4 | Y538 A552 R560 | Y538-K556 HydrophobicContact CD1-CB 4.34Å; Y538-K556 HydrophobicContact CD1-CD 4.15Å; Y538-K556 HydrophobicContact CD1-CG 3.74Å; Y538-K556 HydrophobicContact CD2-CD 3.96Å; Y538-K556 HydrophobicContact CD2-CG 4.45Å; Y538-K556 HydrophobicContact CE1-CB 3.69Å; Y538-K556 HydrophobicContact CE1-CD 4.1Å; Y538-K556 HydrophobicContact CE1-CG 3.61Å; Y538-K556 HydrophobicContact CE2-CD 3.92Å; Y538-K556 HydrophobicContact CE2-CG 4.36Å; Y538-K556 HydrophobicContact CG-CD 4.06Å; Y538-K556 HydrophobicContact CG-CG 4.16Å; A552-K556 HydrophobicContact CB-CD 4.26Å; A552-K556 WeakPolarHBondContact O-CB 3.46Å; A552-K556 WeakPolarHBondContact O-CG 3.28Å; A552-K556 PolarHBondContact O-N 3.33Å; A552-K556 VanDerWaalsContact O-N 3.08Å; K556-R560 WeakPolarHBondContact O-CG 3.46Å; K556-R560 PolarHBondContact O-N 3.47Å; K556-R560 VanDerWaalsContact O-N 3.1Å; K556-R560 PolarHBondContact O-NH1 3.36Å |
| 557 | N | 96.7 | Very high | 93.9 | Very high | 93 Ų | 93 | 72.5 Ų | 72.5 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.9 | -42.6 | 173.2 | -155.8 | 34.7 | 0 | 0 | 0 | 112 | A553 T554 W555 V559 R560 H561 | A553-N557 WeakPolarHBondContact O-CB 3.32Å; A553-N557 PolarHBondContact O-N 3.27Å; T554-N557 PolarHBondContact O-N 3.45Å; W555-N557 PolarHBondContact O-N 3.28Å; N557-V559 VanDerWaalsContact C-N 3.33Å; N557-V559 PolarHBondContact O-N 3.02Å; N557-R560 PolarHBondContact O-N 3.18Å; N557-R560 PolarHBondContact OD1-NH2 3.35Å; N557-H561 WeakPolarHBondContact O-CB 3.43Å; N557-H561 PolarHBondContact O-N 3.21Å |
| 558 | A | 96.3 | Very high | 94.2 | Very high | 23 Ų | 23 | 68.4 Ų | 68.4 | 19% | 0.19 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y516 T554 W555 N562 | Y516-A558 HydrophobicContact CD2-CB 4.09Å; Y516-A558 HydrophobicContact CE1-CB 4.41Å; Y516-A558 HydrophobicContact CE2-CB 3.62Å; T554-A558 PolarHBondContact O-N 3.39Å; T554-A558 VanDerWaalsContact O-N 3.15Å; W555-A558 PolarHBondContact O-N 2.97Å; W555-A558 VanDerWaalsContact O-N 3.16Å; A558-N562 WeakPolarHBondContact O-CB 3.45Å; A558-N562 PolarHBondContact O-N 3.18Å; A558-N562 PolarHBondContact O-ND2 2.86Å |
| 559 | V | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.7 | -51 | 174.9 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | Y516 I520 L534 I537 Y538 F541 W555 N557 H561 N562 L563 | Y516-V559 HydrophobicContact CD1-CG2 4.14Å; Y516-V559 HydrophobicContact CE1-CG2 4.44Å; I520-V559 HydrophobicContact CD1-CB 4.46Å; I520-V559 HydrophobicContact CD1-CG1 4.08Å; I520-V559 HydrophobicContact CD1-CG2 4.39Å; I520-V559 HydrophobicContact CG1-CG1 4.4Å; L534-V559 HydrophobicContact CD1-CG1 4.24Å; I537-V559 HydrophobicContact CG2-CG1 4.01Å; Y538-V559 HydrophobicContact CD1-CG1 4.49Å; Y538-V559 HydrophobicContact CE1-CB 4.4Å; Y538-V559 HydrophobicContact CE1-CG1 4.17Å; F541-V559 HydrophobicContact CE1-CG2 4.19Å; F541-V559 HydrophobicContact CZ-CG2 4.15Å; W555-V559 HydrophobicContact CE3-CG2 4.18Å; W555-V559 WeakPolarHBondContact O-CG2 3.44Å; W555-V559 PolarHBondContact O-N 3.49Å; N557-V559 VanDerWaalsContact C-N 3.33Å; N557-V559 PolarHBondContact O-N 3.02Å; V559-H561 VanDerWaalsContact C-N 3.31Å; V559-H561 PolarHBondContact O-N 3.22Å; V559-N562 PolarHBondContact O-N 2.69Å; V559-N562 VanDerWaalsContact O-N 3.12Å; V559-L563 HydrophobicContact CG1-CD1 3.99Å; V559-L563 WeakPolarHBondContact O-CG 3.43Å; V559-L563 PolarHBondContact O-N 3.37Å |
| 560 | R | 97.2 | Very high | 94.6 | Very high | 105 Ų | 105 | 65.2 Ų | 65.2 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56 | -45.4 | 175.6 | -71.1 | -173.2 | -57 | -95.5 | 9 | 112.2 | L534 Y538 K556 N557 N562 L563 S564 | L534-R560 HydrophobicContact CD1-CG 4.2Å; L534-R560 HydrophobicContact CD2-CG 4.02Å; Y538-R560 WeakPolarHBondContact OH-CG 3.36Å; Y538-R560 PolarHBondContact OH-NH1 3.02Å; Y538-R560 VanDerWaalsContact OH-NH1 3.13Å; K556-R560 WeakPolarHBondContact O-CG 3.46Å; K556-R560 PolarHBondContact O-N 3.47Å; K556-R560 VanDerWaalsContact O-N 3.1Å; K556-R560 PolarHBondContact O-NH1 3.36Å; N557-R560 PolarHBondContact O-N 3.18Å; N557-R560 PolarHBondContact OD1-NH2 3.35Å; R560-N562 PolarHBondContact O-N 2.87Å; R560-L563 PolarHBondContact O-N 2.89Å; R560-S564 PolarHBondContact O-N 3.02Å; R560-S564 PolarHBondContact O-OG 2.91Å |
| 561 | H | 96.8 | Very high | 95 | Very high | 102 Ų | 102 | 65 Ų | 65 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.5 | 176.3 | 63.4 | 0 | 0 | 0 | 112.3 | N557 V559 S564 L565 | N557-H561 WeakPolarHBondContact O-CB 3.43Å; N557-H561 PolarHBondContact O-N 3.21Å; V559-H561 VanDerWaalsContact C-N 3.31Å; V559-H561 PolarHBondContact O-N 3.22Å; H561-S564 PolarHBondContact O-N 3.01Å; H561-S564 PolarHBondContact O-OG 2.92Å; H561-L565 WeakPolarHBondContact O-CB 3.43Å; H561-L565 PolarHBondContact O-N 3.07Å |
| 562 | N | 97.1 | Very high | 95.4 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 12% | 0.118 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 177 | -86.8 | -112.5 | 0 | 0 | 0 | 111.8 | Y516 I520 A558 V559 R560 L565 H566 | Y516-N562 WeakPolarHBondContact CB-OD1 3.27Å; I520-N562 HydrophobicContact CD1-CB 3.75Å; A558-N562 WeakPolarHBondContact O-CB 3.45Å; A558-N562 PolarHBondContact O-N 3.18Å; A558-N562 PolarHBondContact O-ND2 2.86Å; V559-N562 PolarHBondContact O-N 2.69Å; V559-N562 VanDerWaalsContact O-N 3.12Å; R560-N562 PolarHBondContact O-N 2.87Å; N562-L565 PolarHBondContact O-N 2.93Å; N562-H566 WeakPolarHBondContact O-CB 3.42Å; N562-H566 PolarHBondContact O-N 3.46Å |
| 563 | L | 96.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 176.1 | -69.8 | 167.6 | 0 | 0 | 0 | 111.8 | I520 L534 I537 V559 R560 F569 W580 | I520-L563 HydrophobicContact CD1-CG 4.5Å; I520-L563 HydrophobicContact CG2-CD2 3.69Å; L534-L563 HydrophobicContact CD1-CD1 3.59Å; I537-L563 HydrophobicContact CD1-CD1 4.37Å; I537-L563 HydrophobicContact CD1-CD2 4.42Å; V559-L563 HydrophobicContact CG1-CD1 3.99Å; V559-L563 WeakPolarHBondContact O-CG 3.43Å; V559-L563 PolarHBondContact O-N 3.37Å; R560-L563 PolarHBondContact O-N 2.89Å; L563-F569 HydrophobicContact CD2-CB 3.85Å; L563-F569 HydrophobicContact CD2-CD1 4.34Å; L563-F569 HydrophobicContact CD2-CD2 4.08Å; L563-F569 HydrophobicContact CD2-CG 3.84Å; L563-W580 HydrophobicContact CB-CD2 4.29Å; L563-W580 HydrophobicContact CB-CE3 4.11Å; L563-W580 HydrophobicContact CB-CH2 3.84Å; L563-W580 HydrophobicContact CB-CZ2 4.04Å; L563-W580 HydrophobicContact CB-CZ3 3.88Å; L563-W580 HydrophobicContact CD1-CD2 4.22Å; L563-W580 HydrophobicContact CD1-CG 4.38Å; L563-W580 HydrophobicContact CD1-CZ2 4.49Å; L563-W580 HydrophobicContact CD2-CB 4.34Å; L563-W580 HydrophobicContact CD2-CD2 3.88Å; L563-W580 HydrophobicContact CD2-CE3 3.89Å; L563-W580 HydrophobicContact CD2-CG 4.09Å; L563-W580 HydrophobicContact CD2-CZ3 4.49Å; L563-W580 HydrophobicContact CG-CD2 4.36Å; L563-W580 HydrophobicContact CG-CE3 4.48Å |
| 564 | S | 95.8 | Very high | 95.1 | Very high | 93 Ų | 93 | 67.1 Ų | 67.1 | 65% | 0.65 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -79.3 | -28.1 | 178.2 | 68 | 0 | 0 | 0 | 0 | 114.6 | R560 H561 | R560-S564 PolarHBondContact O-N 3.02Å; R560-S564 PolarHBondContact O-OG 2.91Å; H561-S564 PolarHBondContact O-N 3.01Å; H561-S564 PolarHBondContact O-OG 2.92Å |
| 565 | L | 94.9 | Very high | 94.7 | Very high | 99 Ų | 99 | 70 Ų | 70 | 52% | 0.518 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -77.4 | -23.7 | -177.3 | -178.9 | 68.1 | 0 | 0 | 0 | 113.1 | H561 N562 | H561-L565 WeakPolarHBondContact O-CB 3.43Å; H561-L565 PolarHBondContact O-N 3.07Å; N562-L565 PolarHBondContact O-N 2.93Å |
| 566 | H | 94.4 | Very high | 94.1 | Very high | 39 Ų | 39 | 79.4 Ų | 79.4 | 18% | 0.181 | 39% | 0.393 | C | S | . | . | trans | -120.4 | 107.5 | -164.6 | -71.3 | -14.8 | 0 | 0 | 0 | 111.9 | N562 C568 F569 R590 | N562-H566 WeakPolarHBondContact O-CB 3.42Å; N562-H566 PolarHBondContact O-N 3.46Å; H566-C568 PolarHBondContact O-N 2.89Å; H566-F569 HydrophobicContact CB-CD2 3.84Å; H566-F569 HydrophobicContact CB-CE2 4.13Å; H566-F569 PolarHBondContact O-N 3.12Å; H566-R590 PolarHBondContact CD2-NH1 3.14Å; H566-R590 VanDerWaalsContact CD2-NH1 3.31Å | ||
| 567 | K | 93.1 | Very high | 93.8 | Very high | 166 Ų | 166 | 78.2 Ų | 78.2 | 72% | 0.722 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -20.6 | 176.3 | -77.7 | -171.8 | 162.1 | 67.6 | 0 | 116 | F569 | K567-F569 PolarHBondContact O-N 3.5Š|
| 568 | C | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -5.6 | 174.7 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | H566 V582 D583 E586 Y587 R590 | H566-C568 PolarHBondContact O-N 2.89Å; C568-V582 CarbonylContact O-C 3.54Å; C568-V582 VanDerWaalsContact O-CA 3.3Å; C568-V582 WeakPolarHBondContact O-CA 3.35Å; C568-D583 WeakPolarHBondContact CB-O 3.33Å; C568-D583 PolarHBondContact O-N 3.14Å; C568-E586 HydrophobicContact CB-CB 4.08Å; C568-Y587 HydrophobicContact CB-CD2 4.38Å; C568-R590 PolarHBondContact SG-NH1 3.27Å; C568-R590 PolarHBondContact SG-NH2 3.35Å |
| 569 | F | 96.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 74.4 Ų | 74.4 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 112.9 | 169.4 | -58.2 | -52.5 | 0 | 0 | 0 | 107.8 | A517 I520 R521 I524 L563 H566 K567 W580 T581 V582 | A517-F569 HydrophobicContact CB-CE2 4.21Å; A517-F569 HydrophobicContact CB-CZ 4.21Å; A517-F569 WeakPolarHBondContact O-CZ 3.39Å; I520-F569 HydrophobicContact CB-CE1 4.19Å; I520-F569 HydrophobicContact CB-CE2 4.45Å; I520-F569 HydrophobicContact CB-CZ 3.87Å; I520-F569 HydrophobicContact CG2-CD1 4.02Å; I520-F569 HydrophobicContact CG2-CE1 3.58Å; I520-F569 HydrophobicContact CG2-CE2 4.16Å; I520-F569 HydrophobicContact CG2-CG 4.5Å; I520-F569 HydrophobicContact CG2-CZ 3.66Å; R521-F569 HydrophobicContact CB-CE1 4.44Å; I524-F569 HydrophobicContact CD1-CD1 4.3Å; L563-F569 HydrophobicContact CD2-CB 3.85Å; L563-F569 HydrophobicContact CD2-CD1 4.34Å; L563-F569 HydrophobicContact CD2-CD2 4.08Å; L563-F569 HydrophobicContact CD2-CG 3.84Å; H566-F569 HydrophobicContact CB-CD2 3.84Å; H566-F569 HydrophobicContact CB-CE2 4.13Å; H566-F569 PolarHBondContact O-N 3.12Å; K567-F569 PolarHBondContact O-N 3.5Å; F569-W580 HydrophobicContact CB-CE3 4.08Å; F569-W580 HydrophobicContact CB-CZ3 4.36Å; F569-T581 WeakPolarHBondContact CA-O 3.2Å; F569-V582 HydrophobicContact CD1-CG2 4.09Å; F569-V582 HydrophobicContact CE1-CG2 4.05Å |
| 570 | V | 95.8 | Very high | 93.7 | Very high | 60 Ų | 60 | 76.5 Ų | 76.5 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.5 | -177.2 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | V572 W580 T581 D583 | V570-V572 HydrophobicContact CG1-CG2 4.21Å; V570-W580 WeakPolarHBondContact O-CA 3.25Å; V570-T581 PolarHBondContact N-O 3.48Å; V570-T581 VanDerWaalsContact N-O 3.08Å; V570-T581 PolarHBondContact O-N 2.87Å; V570-T581 PolarHBondContact O-OG1 3.11Å; V570-D583 HydrophobicContact CG2-CB 4.34Å |
| 571 | R | 96.2 | Very high | 93.6 | Very high | 160 Ų | 160 | 73 Ų | 73 | 60% | 0.604 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 117.3 | 170.5 | 178.1 | 179.6 | 162.7 | 168.1 | -3.1 | 108 | A578 V579 W580 | R571-A578 HydrophobicContact CG-CB 3.89Å; R571-V579 CarbonylContact C-O 3.58Å; R571-V579 WeakPolarHBondContact CA-O 3.36Å; R571-W580 HydrophobicContact CB-CD2 4.27Å; R571-W580 HydrophobicContact CB-CE3 4.05Å; R571-W580 HydrophobicContact CB-CH2 4.02Å; R571-W580 HydrophobicContact CB-CZ2 4.21Å; R571-W580 HydrophobicContact CB-CZ3 3.94Å |
| 572 | V | 95.3 | Very high | 93.5 | Very high | 57 Ų | 57 | 69.6 Ų | 69.6 | 35% | 0.345 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136.7 | 175.7 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | V570 A578 V579 T581 | V570-V572 HydrophobicContact CG1-CG2 4.21Å; V572-A578 CarbonylContact O-C 3.21Å; V572-A578 WeakPolarHBondContact O-CA 3.18Å; V572-V579 HydrophobicContact CB-CG2 4.04Å; V572-V579 PolarHBondContact N-O 3.25Å; V572-V579 PolarHBondContact O-N 3.12Å; V572-T581 HydrophobicContact CG2-CG2 3.85Å |
| 573 | E | 94.3 | Very high | 93.4 | Very high | 151 Ų | 151 | 71.3 Ų | 71.3 | 71% | 0.706 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.3 | 174.6 | -164.5 | 127.1 | -109 | 0 | 0 | 109.6 | ||
| 574 | N | 85.3 | Confident | 93.1 | Very high | 65 Ų | 65 | 73.7 Ų | 73.7 | 35% | 0.348 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 161.5 | 178.4 | -172 | 4.7 | 0 | 0 | 0 | 108.7 | K576 G577 V579 | N574-K576 PolarHBondContact O-N 2.95Å; N574-G577 CarbonylContact C-O 3.59Å; N574-G577 WeakPolarHBondContact CB-O 3.38Å; N574-G577 PolarHBondContact N-O 3.21Å; N574-G577 VanDerWaalsContact N-O 3.16Å; N574-G577 CarbonylContact O-C 3.6Å; N574-G577 PolarHBondContact O-N 3.39Å; N574-G577 VanDerWaalsContact O-O 3.11Å; N574-V579 HydrophobicContact CB-CG1 4.49Å; N574-V579 HydrophobicContact CB-CG2 4.45Å |
| 575 | V | 84.3 | Confident | 92.8 | Very high | 151 Ų | 151 | 74.3 Ų | 74.3 | 92% | 0.915 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -15 | -174.6 | -59.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 576 | K | 82.3 | Confident | 92.6 | Very high | 206 Ų | 206 | 71.8 Ų | 71.8 | 90% | 0.896 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 13.5 | 178.6 | -155.9 | 174.4 | 179 | 179.8 | 0 | 113 | N574 | N574-K576 PolarHBondContact O-N 2.95Š|
| 577 | G | 90.3 | Very high | 92.3 | Very high | 37 Ų | 37 | 70.7 Ų | 70.7 | 38% | 0.381 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 105.8 | -179.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N574 | N574-G577 CarbonylContact C-O 3.59Å; N574-G577 WeakPolarHBondContact CB-O 3.38Å; N574-G577 PolarHBondContact N-O 3.21Å; N574-G577 VanDerWaalsContact N-O 3.16Å; N574-G577 CarbonylContact O-C 3.6Å; N574-G577 PolarHBondContact O-N 3.39Å; N574-G577 VanDerWaalsContact O-O 3.11Å |
| 578 | A | 93.5 | Very high | 92 | Very high | 26 Ų | 26 | 67.8 Ų | 67.8 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 136.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R571 V572 | R571-A578 HydrophobicContact CG-CB 3.89Å; V572-A578 CarbonylContact O-C 3.21Å; V572-A578 WeakPolarHBondContact O-CA 3.18Å |
| 579 | V | 95.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 74 Ų | 74 | 6% | 0.061 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 165.1 | 175 | -63.5 | 0 | 0 | 0 | 0 | 110.8 | Q531 T533 R571 V572 N574 | Q531-V579 HydrophobicContact CB-CB 4.21Å; Q531-V579 HydrophobicContact CB-CG2 4Å; Q531-V579 HydrophobicContact CG-CB 4.3Å; Q531-V579 HydrophobicContact CG-CG1 4.41Å; Q531-V579 HydrophobicContact CG-CG2 4.15Å; T533-V579 HydrophobicContact CG2-CG1 3.99Å; R571-V579 CarbonylContact C-O 3.58Å; R571-V579 WeakPolarHBondContact CA-O 3.36Å; V572-V579 HydrophobicContact CB-CG2 4.04Å; V572-V579 PolarHBondContact N-O 3.25Å; V572-V579 PolarHBondContact O-N 3.12Å; N574-V579 HydrophobicContact CB-CG1 4.49Å; N574-V579 HydrophobicContact CB-CG2 4.45Å |
| 580 | W | 97.3 | Very high | 90.6 | Very high | 45 Ų | 45 | 77.3 Ų | 77.3 | 17% | 0.17 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.7 | 172.7 | -67.5 | 89.1 | 0 | 0 | 0 | 110.2 | I524 Q531 L532 I537 L563 F569 V570 R571 | I524-W580 HydrophobicContact CD1-CB 4.22Å; Q531-W580 WeakPolarHBondContact CA-O 3.48Å; L532-W580 PolarHBondContact N-O 3.17Å; L532-W580 PolarHBondContact O-N 3.2Å; I537-W580 HydrophobicContact CD1-CB 4.22Å; L563-W580 HydrophobicContact CB-CD2 4.29Å; L563-W580 HydrophobicContact CB-CE3 4.11Å; L563-W580 HydrophobicContact CB-CH2 3.84Å; L563-W580 HydrophobicContact CB-CZ2 4.04Å; L563-W580 HydrophobicContact CB-CZ3 3.88Å; L563-W580 HydrophobicContact CD1-CD2 4.22Å; L563-W580 HydrophobicContact CD1-CG 4.38Å; L563-W580 HydrophobicContact CD1-CZ2 4.49Å; L563-W580 HydrophobicContact CD2-CB 4.34Å; L563-W580 HydrophobicContact CD2-CD2 3.88Å; L563-W580 HydrophobicContact CD2-CE3 3.89Å; L563-W580 HydrophobicContact CD2-CG 4.09Å; L563-W580 HydrophobicContact CD2-CZ3 4.49Å; L563-W580 HydrophobicContact CG-CD2 4.36Å; L563-W580 HydrophobicContact CG-CE3 4.48Å; F569-W580 HydrophobicContact CB-CE3 4.08Å; F569-W580 HydrophobicContact CB-CZ3 4.36Å; V570-W580 WeakPolarHBondContact O-CA 3.25Å; R571-W580 HydrophobicContact CB-CD2 4.27Å; R571-W580 HydrophobicContact CB-CE3 4.05Å; R571-W580 HydrophobicContact CB-CH2 4.02Å; R571-W580 HydrophobicContact CB-CZ2 4.21Å; R571-W580 HydrophobicContact CB-CZ3 3.94Å |
| 581 | T | 95.6 | Very high | 89.2 | Confident | 32 Ų | 32 | 80.3 Ų | 80.3 | 20% | 0.196 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 168.3 | 173.4 | 57.9 | 0 | 0 | 0 | 0 | 110.5 | Q531 F569 V570 V572 | Q531-T581 HydrophobicContact CB-CG2 3.7Å; F569-T581 WeakPolarHBondContact CA-O 3.2Å; V570-T581 PolarHBondContact N-O 3.48Å; V570-T581 VanDerWaalsContact N-O 3.08Å; V570-T581 PolarHBondContact O-N 2.87Å; V570-T581 PolarHBondContact O-OG1 3.11Å; V572-T581 HydrophobicContact CG2-CG2 3.85Å |
| 582 | V | 95.4 | Very high | 87.3 | Confident | 29 Ų | 29 | 76.5 Ų | 76.5 | 18% | 0.176 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.5 | 171.8 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | R521 I524 C568 F569 E584 | R521-V582 HydrophobicContact CB-CG2 4.42Å; R521-V582 HydrophobicContact CG-CG1 4.17Å; R521-V582 HydrophobicContact CG-CG2 4.3Å; I524-V582 HydrophobicContact CB-CG2 3.84Å; I524-V582 HydrophobicContact CD1-CG2 3.78Å; I524-V582 HydrophobicContact CG1-CG2 4.41Å; I524-V582 HydrophobicContact CG2-CG2 3.84Å; C568-V582 CarbonylContact O-C 3.54Å; C568-V582 VanDerWaalsContact O-CA 3.3Å; C568-V582 WeakPolarHBondContact O-CA 3.35Å; F569-V582 HydrophobicContact CD1-CG2 4.09Å; F569-V582 HydrophobicContact CE1-CG2 4.05Å; V582-E584 PolarHBondContact O-N 3.28Å |
| 583 | D | 94.1 | Very high | 85.3 | Confident | 58 Ų | 58 | 81.5 Ų | 81.5 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | trans | -79.7 | 104.7 | 159.5 | 177.7 | -13.3 | 0 | 0 | 0 | 108.2 | C568 V570 V585 E586 Y587 | C568-D583 WeakPolarHBondContact CB-O 3.33Å; C568-D583 PolarHBondContact O-N 3.14Å; V570-D583 HydrophobicContact CG2-CB 4.34Å; D583-V585 VanDerWaalsContact C-N 3.31Å; D583-V585 PolarHBondContact O-N 3.42Å; D583-V585 WeakPolarHBondContact OD1-CA 3.48Å; D583-V585 WeakPolarHBondContact OD1-CB 3.29Å; D583-V585 PolarHBondContact OD1-N 3.06Å; D583-E586 HydrophobicContact CB-CB 4.2Å; D583-E586 PolarHBondContact OD1-N 2.94Å; D583-E586 WeakPolarHBondContact OD2-CG 3.5Å; D583-Y587 WeakPolarHBondContact O-CB 3.37Å; D583-Y587 PolarHBondContact O-N 2.97Å | ||
| 584 | E | 90.4 | Very high | 82.9 | Confident | 54 Ų | 54 | 83.6 Ų | 83.6 | 25% | 0.252 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.6 | -28.9 | -179.6 | -179.3 | 58.6 | -172.9 | 0 | 0 | 112.7 | R521 V582 Y587 Q588 | R521-E584 IonicContact CZ-OE1 3.71Å; R521-E584 IonicContact CZ-OE2 3.26Å; R521-E584 VanDerWaalsContact CZ-OE2 3.26Å; R521-E584 IonicContact NE-OE1 3.81Å; R521-E584 IonicContact NE-OE2 2.71Å; R521-E584 PolarHBondContact NE-OE2 3.48Å; R521-E584 IonicContact NH2-OE1 2.77Å; R521-E584 PolarHBondContact NH2-OE1 3.46Å; R521-E584 IonicContact NH2-OE2 3.01Å; R521-E584 PolarHBondContact NH2-OE2 3.1Å; V582-E584 PolarHBondContact O-N 3.28Å; E584-Y587 PolarHBondContact O-N 3.23Å; E584-Q588 HydrophobicContact CG-CG 4.35Å; E584-Q588 WeakPolarHBondContact O-CB 3.33Å; E584-Q588 VanDerWaalsContact O-CG 3.24Å; E584-Q588 WeakPolarHBondContact O-CG 3.29Å; E584-Q588 PolarHBondContact O-N 3.02Å; E584-Q588 WeakPolarHBondContact OE1-CG 3.39Å; E584-Q588 PolarHBondContact OE1-NE2 2.78Å |
| 585 | V | 89.3 | Confident | 81.1 | Confident | 107 Ų | 107 | 87.7 Ų | 87.7 | 65% | 0.648 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70.7 | -48.1 | 178.4 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | D583 Y587 Q588 K589 | D583-V585 VanDerWaalsContact C-N 3.31Å; D583-V585 PolarHBondContact O-N 3.42Å; D583-V585 WeakPolarHBondContact OD1-CA 3.48Å; D583-V585 WeakPolarHBondContact OD1-CB 3.29Å; D583-V585 PolarHBondContact OD1-N 3.06Å; V585-Y587 VanDerWaalsContact C-N 3.29Å; V585-Y587 PolarHBondContact O-N 3.38Å; V585-Q588 PolarHBondContact O-N 3.43Å; V585-K589 WeakPolarHBondContact O-CB 3.5Å; V585-K589 PolarHBondContact O-N 3.4Å |
| 586 | E | 90.9 | Very high | 79.2 | Confident | 46 Ų | 46 | 85.4 Ų | 85.4 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.2 | -28.1 | 172.9 | -82.8 | -68.6 | 136.6 | 0 | 0 | 112.9 | C568 D583 K589 R590 | C568-E586 HydrophobicContact CB-CB 4.08Å; D583-E586 HydrophobicContact CB-CB 4.2Å; D583-E586 PolarHBondContact OD1-N 2.94Å; D583-E586 WeakPolarHBondContact OD2-CG 3.5Å; E586-K589 WeakPolarHBondContact OE1-CD 3.4Å; E586-K589 WeakPolarHBondContact OE1-CE 3.33Å; E586-K589 IonicContact OE1-NZ 3.64Å; E586-K589 PolarHBondContact OE1-NZ 3.09Å; E586-R590 PolarHBondContact O-N 2.99Å |
| 587 | Y | 88.4 | Confident | 77.1 | Confident | 16 Ų | 16 | 78.3 Ų | 78.3 | 6% | 0.063 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68 | -50.6 | 172.2 | -174.4 | -102.4 | 0 | 0 | 0 | 111.6 | R521 C568 D583 E584 V585 R590 R591 | R521-Y587 VanDerWaalsContact CD-CD1 3.5Å; C568-Y587 HydrophobicContact CB-CD2 4.38Å; D583-Y587 WeakPolarHBondContact O-CB 3.37Å; D583-Y587 PolarHBondContact O-N 2.97Å; E584-Y587 PolarHBondContact O-N 3.23Å; V585-Y587 VanDerWaalsContact C-N 3.29Å; V585-Y587 PolarHBondContact O-N 3.38Å; Y587-R590 PolarHBondContact O-N 3.17Å; Y587-R591 PolarHBondContact O-N 3.02Å; Y587-R591 VanDerWaalsContact O-N 3.08Å; Y587-R591 PolarHBondContact OH-NH1 3.25Å; Y587-R591 VanDerWaalsContact OH-NH1 3.09Å |
| 588 | Q | 86.6 | Confident | 74.2 | Confident | 104 Ų | 104 | 81.4 Ų | 81.4 | 49% | 0.486 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 179.5 | -72.7 | 177.7 | 14.6 | 0 | 0 | 112.1 | E584 V585 R590 R591 S592 | E584-Q588 HydrophobicContact CG-CG 4.35Å; E584-Q588 WeakPolarHBondContact O-CB 3.33Å; E584-Q588 VanDerWaalsContact O-CG 3.24Å; E584-Q588 WeakPolarHBondContact O-CG 3.29Å; E584-Q588 PolarHBondContact O-N 3.02Å; E584-Q588 WeakPolarHBondContact OE1-CG 3.39Å; E584-Q588 PolarHBondContact OE1-NE2 2.78Å; V585-Q588 PolarHBondContact O-N 3.43Å; Q588-R590 PolarHBondContact O-N 3.06Å; Q588-R591 WeakPolarHBondContact O-CA 3.36Å; Q588-R591 WeakPolarHBondContact O-CB 3.5Å; Q588-R591 PolarHBondContact O-N 3.37Å; Q588-S592 PolarHBondContact O-N 3.24Å; Q588-S592 PolarHBondContact O-OG 2.98Å |
| 589 | K | 86 | Confident | 71.8 | Confident | 131 Ų | 131 | 86.3 Ų | 86.3 | 57% | 0.57 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -51.6 | -39.2 | 174.7 | -176.8 | 178.6 | 179.6 | 178.4 | 0 | 112.6 | V585 E586 | V585-K589 WeakPolarHBondContact O-CB 3.5Å; V585-K589 PolarHBondContact O-N 3.4Å; E586-K589 WeakPolarHBondContact OE1-CD 3.4Å; E586-K589 WeakPolarHBondContact OE1-CE 3.33Å; E586-K589 IonicContact OE1-NZ 3.64Å; E586-K589 PolarHBondContact OE1-NZ 3.09Å |
| 590 | R | 75.3 | Confident | 69 | Low | 79 Ų | 79 | 90.2 Ų | 90.2 | 30% | 0.298 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.1 | -38.9 | 173 | -163.6 | -175.4 | -50.8 | 125.6 | 25.2 | 112.8 | H566 C568 E586 Y587 Q588 S592 Q593 | H566-R590 PolarHBondContact CD2-NH1 3.14Å; H566-R590 VanDerWaalsContact CD2-NH1 3.31Å; C568-R590 PolarHBondContact SG-NH1 3.27Å; C568-R590 PolarHBondContact SG-NH2 3.35Å; E586-R590 PolarHBondContact O-N 2.99Å; Y587-R590 PolarHBondContact O-N 3.17Å; Q588-R590 PolarHBondContact O-N 3.06Å; R590-S592 VanDerWaalsContact C-N 3.35Å; R590-S592 PolarHBondContact O-N 2.82Å; R590-Q593 PolarHBondContact O-N 2.94Å |
| 591 | R | 67.9 | Low | 66.6 | Low | 122 Ų | 122 | 95.9 Ų | 95.9 | 46% | 0.46 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | -178.9 | -158.3 | 76.5 | 178.1 | -156.9 | 0.1 | 111.8 | T518 Y587 Q588 Q593 K594 | T518-R591 PolarHBondContact OG1-NH1 3.2Å; Y587-R591 PolarHBondContact O-N 3.02Å; Y587-R591 VanDerWaalsContact O-N 3.08Å; Y587-R591 PolarHBondContact OH-NH1 3.25Å; Y587-R591 VanDerWaalsContact OH-NH1 3.09Å; Q588-R591 WeakPolarHBondContact O-CA 3.36Å; Q588-R591 WeakPolarHBondContact O-CB 3.5Å; Q588-R591 PolarHBondContact O-N 3.37Å; R591-Q593 VanDerWaalsContact C-N 3.29Å; R591-Q593 PolarHBondContact O-N 3.14Å; R591-K594 PolarHBondContact O-N 3.17Å |
| 592 | S | 55.4 | Low | 63.9 | Low | 81 Ų | 81 | 101.5 Ų | 101.5 | 57% | 0.566 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.5 | -30.2 | -178.4 | -62.6 | 0 | 0 | 0 | 0 | 114.3 | Q588 R590 K594 | Q588-S592 PolarHBondContact O-N 3.24Å; Q588-S592 PolarHBondContact O-OG 2.98Å; R590-S592 VanDerWaalsContact C-N 3.35Å; R590-S592 PolarHBondContact O-N 2.82Å; S592-K594 PolarHBondContact O-N 3.37Å; S592-K594 VanDerWaalsContact O-N 3.13Å |
| 593 | Q | 52.5 | Low | 61.2 | Low | 162 Ų | 162 | 109.8 Ų | 109.8 | 76% | 0.757 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -12.1 | 178.3 | -73.7 | -165.4 | -30.3 | 0 | 0 | 114.5 | R590 R591 | R590-Q593 PolarHBondContact O-N 2.94Å; R591-Q593 VanDerWaalsContact C-N 3.29Å; R591-Q593 PolarHBondContact O-N 3.14Å |
| 594 | K | 44.3 | Very low | 58.4 | Low | 194 Ų | 194 | 115 Ų | 115 | 84% | 0.843 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 5.1 | -172.8 | -144.1 | 179.4 | -174.8 | -61.3 | 0 | 115.3 | R591 S592 | R591-K594 PolarHBondContact O-N 3.17Å; S592-K594 PolarHBondContact O-N 3.37Å; S592-K594 VanDerWaalsContact O-N 3.13Å |
| 595 | I | 48.3 | Very low | 55.6 | Low | 151 Ų | 151 | 120 Ų | 120 | 77% | 0.774 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -27.1 | -177.6 | -72 | 175.2 | 0 | 0 | 0 | 113 | ||
| 596 | T | 43.2 | Very low | 53.1 | Low | 103 Ų | 103 | 120.5 Ų | 120.5 | 63% | 0.632 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -86.1 | 143.8 | 169.4 | -166 | 0 | 0 | 0 | 0 | 111.7 | ||
| 597 | G | 38.8 | Very low | 50.1 | Low | 58 Ų | 58 | 124.4 Ų | 124.4 | 60% | 0.598 | 68% | 0.68 | S | S | * | * | trans | -84.7 | 143.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 598 | S | 30 | Very low | 47.4 | Very low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | 44.1 | 78.8 | 159.4 | -54.3 | 0 | 0 | 0 | 0 | 117.5 | S600 | S598-S600 PolarHBondContact O-N 3.27Š| ||
| 599 | P | 42.3 | Very low | 44.8 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | -74.8 | 62.9 | 166.7 | 34.5 | -35.9 | 0 | 0 | 0 | 110.8 | ||||
| 600 | S | 37.7 | Very low | 42.1 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | trans | -140.1 | 34.8 | -169.4 | 70.6 | 0 | 0 | 0 | 0 | 114.4 | S598 | S598-S600 PolarHBondContact O-N 3.27Š| ||
| 601 | L | 45.9 | Very low | 40 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -162.3 | 55.8 | 165.6 | -118.3 | 171.8 | 0 | 0 | 0 | 114.6 | ||
| 602 | V | 40.4 | Very low | 38.6 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 92% | 0.915 | 79% | 0.79 | S | S | * | * | trans | -155.6 | 97.1 | 155 | -94.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 603 | K | 37 | Very low | 38.1 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -136.4 | 73 | 164 | -170.2 | -179 | 179.2 | -179.4 | 0 | 109.4 | ||||
| 604 | N | 36.8 | Very low | 37.5 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -168.3 | 71.7 | 164.8 | -100 | -27.9 | 0 | 0 | 0 | 111.4 | ||||
| 605 | L | 31.1 | Very low | 37.3 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -158.4 | 131.7 | 148.1 | -157.1 | 66.9 | 0 | 0 | 0 | 108.1 | ||||
| 606 | P | 35.7 | Very low | 37 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 142.5 | 177.3 | 29.5 | -34 | 0 | 0 | 0 | 110.9 | ||||
| 607 | S | 29.4 | Very low | 37 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -89 | 118.6 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 608 | S | 30.2 | Very low | 37.1 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -118.5 | 107.4 | 162.6 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 609 | L | 33.5 | Very low | 37.8 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | trans | 19.3 | 118 | 149 | -166.7 | 71.9 | 0 | 0 | 0 | 118.4 | ||||
| 610 | G | 27.6 | Very low | 38 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | 170.4 | 131.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 611 | Y | 31.8 | Very low | 38.3 | Very low | 240 Ų | 240 | 133.2 Ų | 133.2 | 94% | 0.941 | 79% | 0.788 | S | S | * | * | trans | -70.9 | 150.2 | 172.1 | -72.8 | -99.2 | 0 | 0 | 0 | 111.3 | ||||
| 612 | G | 39 | Very low | 38 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | -93.4 | 135.7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 613 | T | 44.1 | Very low | 38 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -144.5 | 35.6 | 169.7 | 43.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 614 | A | 40.4 | Very low | 38 | Very low | 83 Ų | 83 | 123.2 Ų | 123.2 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | trans | -114.9 | 20.3 | -158.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 615 | L | 40.2 | Very low | 37.7 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -105.2 | -2.5 | 178 | -71.5 | 179.3 | 0 | 0 | 0 | 115.6 | ||
| 616 | N | 42.4 | Very low | 37.6 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -92.4 | -33.7 | -179.2 | -153.1 | 8.2 | 0 | 0 | 0 | 112.9 | S618 L619 | N616-S618 PolarHBondContact O-N 3.07Å; N616-L619 PolarHBondContact O-N 3.27Å |
| 617 | A | 42.5 | Very low | 37.4 | Very low | 71 Ų | 71 | 122.1 Ų | 122.1 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -64.6 | -38.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L619 Q620 A621 | A617-L619 PolarHBondContact O-N 3.32Å; A617-Q620 PolarHBondContact O-N 2.64Å; A617-A621 PolarHBondContact O-N 3.37Å; A617-A621 VanDerWaalsContact O-N 3.13Å |
| 618 | S | 42 | Very low | 37.5 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -68.6 | -19.8 | -177.3 | -51.6 | 0 | 0 | 0 | 0 | 114.1 | N616 | N616-S618 PolarHBondContact O-N 3.07Å |
| 619 | L | 43.6 | Very low | 38 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -83.9 | -37.2 | 175.1 | -173.7 | 60.8 | 0 | 0 | 0 | 111.3 | N616 A617 A622 | N616-L619 PolarHBondContact O-N 3.27Å; A617-L619 PolarHBondContact O-N 3.32Å; L619-A622 PolarHBondContact O-N 3.15Å |
| 620 | Q | 47.5 | Very low | 37.6 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -67.9 | -35.5 | 177.2 | -152.8 | 72.3 | 39.7 | 0 | 0 | 112.1 | A617 A622 | A617-Q620 PolarHBondContact O-N 2.64Å; Q620-A622 PolarHBondContact O-N 3.42Å |
| 621 | A | 43.2 | Very low | 37.8 | Very low | 78 Ų | 78 | 126.6 Ų | 126.6 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -6.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A617 | A617-A621 PolarHBondContact O-N 3.37Å; A617-A621 VanDerWaalsContact O-N 3.13Å |
| 622 | A | 39.3 | Very low | 37.5 | Very low | 78 Ų | 78 | 118.6 Ų | 118.6 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -0.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | L619 Q620 | L619-A622 PolarHBondContact O-N 3.15Å; Q620-A622 PolarHBondContact O-N 3.42Å |
| 623 | L | 40.3 | Very low | 36.9 | Very low | 152 Ų | 152 | 121.4 Ų | 121.4 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -114.8 | 1.9 | -173.5 | -65 | 177.6 | 0 | 0 | 0 | 114.5 | ||
| 624 | A | 37.3 | Very low | 37.1 | Very low | 77 Ų | 77 | 120.5 Ų | 120.5 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | -133.6 | 117.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 625 | E | 31.4 | Very low | 36.5 | Very low | 171 Ų | 171 | 120.2 Ų | 120.2 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | 157.8 | 92 | 159.3 | -92.2 | -64.1 | 138.2 | 0 | 0 | 107.9 | ||||
| 626 | T | 29 | Very low | 36.1 | Very low | 148 Ų | 148 | 119.5 Ų | 119.5 | 91% | 0.908 | 74% | 0.74 | S | S | * | * | trans | -148.7 | 55.9 | 171.7 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 627 | S | 29.7 | Very low | 35.5 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -164.9 | 102.8 | 165.1 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 628 | L | 32.8 | Very low | 34.9 | Very low | 165 Ų | 165 | 123.2 Ų | 123.2 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -68.8 | 169.8 | 156.6 | -70.1 | 172.9 | 0 | 0 | 0 | 109.4 | ||||
| 629 | P | 40 | Very low | 34.2 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | cis | -152.2 | 175.4 | 24.7 | 44.1 | -23.1 | 0 | 0 | 0 | 120.2 | ||||
| 630 | L | 26.6 | Very low | 33.6 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | 108.1 | 119.7 | 126.7 | -148.7 | 61.2 | 0 | 0 | 0 | 122.7 | |||||
| 631 | L | 30.6 | Very low | 32.8 | Very low | 165 Ų | 165 | 121.9 Ų | 121.9 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | 66.2 | 135.3 | 151 | -77.7 | 169.1 | 0 | 0 | 0 | 123 | ||||
| 632 | G | 25.8 | Very low | 32.1 | Very low | 72 Ų | 72 | 121.8 Ų | 121.8 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 151.7 | 101.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 633 | T | 27.4 | Very low | 32.9 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -151.5 | 170.6 | -179.3 | 29.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 634 | P | 47.3 | Very low | 32.5 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | cis | -139.1 | 177.8 | -23.5 | 37 | -18.5 | 0 | 0 | 0 | 115.9 | ||||
| 635 | G | 27.3 | Very low | 32.1 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 86.5 | 169.6 | 152 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 636 | L | 32.7 | Very low | 32.1 | Very low | 156 Ų | 156 | 120.5 Ų | 120.5 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | cis | -165 | 156 | -14.3 | -172.9 | 69.9 | 0 | 0 | 0 | 109.8 | ||||
| 637 | M | 30.4 | Very low | 32.4 | Very low | 154 Ų | 154 | 119.2 Ų | 119.2 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | 98.1 | 129.7 | 148.5 | 99.7 | -174.7 | 73.7 | 0 | 0 | 123.1 | ||||
| 638 | S | 28 | Very low | 32.5 | Very low | 114 Ų | 114 | 119 Ų | 119 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 68.2 | 145.5 | 137.6 | -56.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 639 | S | 28.5 | Very low | 32.5 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -129.9 | 150.5 | 174.2 | -41.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 640 | A | 30.6 | Very low | 31.9 | Very low | 99 Ų | 99 | 118 Ų | 118 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 177.1 | 143.3 | 139.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 641 | A | 30.5 | Very low | 32.2 | Very low | 111 Ų | 111 | 119 Ų | 119 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | 66.6 | 144.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 642 | G | 28.9 | Very low | 32.4 | Very low | 76 Ų | 76 | 119.3 Ų | 119.3 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 127.1 | 95.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 643 | P | 55.4 | Low | 32.6 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -112.9 | 162.7 | 174.1 | 39.7 | -31.3 | 0 | 0 | 0 | 114.3 | ||||
| 644 | M | 32.3 | Very low | 32.7 | Very low | 181 Ų | 181 | 117.3 Ų | 117.3 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | trans | 158.9 | 153.1 | 136 | -89.1 | -65.3 | 109.1 | 0 | 0 | 114.8 | ||||
| 645 | G | 30.1 | Very low | 32 | Very low | 80 Ų | 80 | 119 Ų | 119 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | 95.8 | 134.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 646 | G | 30.1 | Very low | 33 | Very low | 79 Ų | 79 | 120.6 Ų | 120.6 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | cis | 178.7 | 159 | -7.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 647 | S | 34.8 | Very low | 33.1 | Very low | 120 Ų | 120 | 118.7 Ų | 118.7 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -15 | 159 | 158.8 | -71 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 648 | C | 32.3 | Very low | 33.1 | Very low | 101 Ų | 101 | 114.7 Ų | 114.7 | 68% | 0.682 | 81% | 0.814 | S | S | * | * | cis | -173.3 | 167.7 | -2.5 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 649 | H | 32.8 | Very low | 34.2 | Very low | 189 Ų | 189 | 114.9 Ų | 114.9 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | trans | 55.8 | 148.2 | 153.8 | -77.2 | -139.9 | 0 | 0 | 0 | 120.6 | ||||
| 650 | G | 28.6 | Very low | 34.4 | Very low | 66 Ų | 66 | 115.6 Ų | 115.6 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | cis | 162.8 | 137.9 | -12 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 651 | L | 31.2 | Very low | 34.3 | Very low | 163 Ų | 163 | 114.9 Ų | 114.9 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | 68.2 | 151.9 | 152.3 | -61.2 | 174.6 | 0 | 0 | 0 | 122.6 | ||||
| 652 | L | 35.4 | Very low | 34.2 | Very low | 172 Ų | 172 | 113.1 Ų | 113.1 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | 70.2 | 134.5 | 169.4 | -44.3 | -176.8 | 0 | 0 | 0 | 116.9 | ||||
| 653 | G | 29.4 | Very low | 34.4 | Very low | 84 Ų | 84 | 115.3 Ų | 115.3 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | cis | 143.5 | 128.7 | -9.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 654 | G | 30.4 | Very low | 34.7 | Very low | 82 Ų | 82 | 115.8 Ų | 115.8 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | 140.5 | 113.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 655 | D | 32 | Very low | 35.6 | Very low | 160 Ų | 160 | 113.3 Ų | 113.3 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | -79.4 | 165.2 | 152.2 | -122.6 | -48.9 | 0 | 0 | 0 | 108.7 | ||||
| 656 | P | 48.1 | Very low | 35.7 | Very low | 109 Ų | 109 | 112.5 Ų | 112.5 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | -154.1 | 161.5 | 55.8 | 41.4 | -20 | 0 | 0 | 0 | 119.7 | |||||
| 657 | S | 36.1 | Very low | 36 | Very low | 116 Ų | 116 | 117 Ų | 117 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | 69.2 | 148.2 | 144.5 | -66.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 658 | G | 29.9 | Very low | 36 | Very low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | -88 | -153.9 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 659 | P | 50.1 | Low | 36 | Very low | 118 Ų | 118 | 117.8 Ų | 117.8 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | cis | -145 | -165.5 | 20.5 | 32.9 | -6.6 | 0 | 0 | 0 | 116.9 | ||||
| 660 | T | 33.4 | Very low | 35.9 | Very low | 139 Ų | 139 | 112.7 Ų | 112.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | 85.9 | 133.1 | 158 | 71.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 661 | G | 28.3 | Very low | 36.2 | Very low | 85 Ų | 85 | 115.1 Ų | 115.1 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | 99.7 | 122.6 | 128.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 662 | G | 29.3 | Very low | 37.5 | Very low | 73 Ų | 73 | 113 Ų | 113 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | 145.1 | 136.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 663 | S | 31.7 | Very low | 38.6 | Very low | 123 Ų | 123 | 110.4 Ų | 110.4 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -179.9 | 165.7 | 173.3 | -82 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 664 | P | 62.8 | Low | 38.8 | Very low | 122 Ų | 122 | 109.5 Ų | 109.5 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | cis | -103.6 | -119.5 | -18.3 | 42.2 | -28.6 | 0 | 0 | 0 | 108.3 | ||||
| 665 | P | 51 | Low | 39 | Very low | 128 Ų | 128 | 113.2 Ų | 113.2 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | cis | -104.2 | -169.5 | -15.2 | 42.7 | -31.8 | 0 | 0 | 0 | 112.4 | ||||
| 666 | G | 32.4 | Very low | 39.1 | Very low | 64 Ų | 64 | 113.2 Ų | 113.2 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | cis | 141.1 | 152.1 | -11.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 667 | L | 35.4 | Very low | 38.2 | Very low | 172 Ų | 172 | 111 Ų | 111 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | 72.9 | 135.8 | 179.3 | -51.6 | 178.3 | 0 | 0 | 0 | 115.9 | ||||
| 668 | L | 35.5 | Very low | 37.9 | Very low | 162 Ų | 162 | 113.5 Ų | 113.5 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | cis | -132 | 174.4 | 4.8 | -70.3 | 172.2 | 0 | 0 | 0 | 110.2 | ||||
| 669 | G | 31.3 | Very low | 38.3 | Very low | 76 Ų | 76 | 115.5 Ų | 115.5 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | cis | 130.2 | 100.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 670 | G | 30.7 | Very low | 38.7 | Very low | 83 Ų | 83 | 115.8 Ų | 115.8 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | 174.9 | 123.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 671 | S | 35.8 | Very low | 39.8 | Very low | 117 Ų | 117 | 114.8 Ų | 114.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -129 | -163 | -170.6 | -35.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 672 | P | 59.2 | Low | 39.8 | Very low | 118 Ų | 118 | 113.7 Ų | 113.7 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | cis | -131.7 | -133.1 | -23.5 | 39.7 | -18.4 | 0 | 0 | 0 | 109.7 | ||||
| 673 | P | 57.8 | Low | 39.9 | Very low | 118 Ų | 118 | 116.5 Ų | 116.5 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | -113.7 | 177.1 | -53.4 | 33 | -16.2 | 0 | 0 | 0 | 112.8 | |||||
| 674 | G | 33 | Very low | 39.9 | Very low | 65 Ų | 65 | 118.7 Ų | 118.7 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | cis | 155.5 | -175.4 | -7.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 675 | L | 35.7 | Very low | 38.1 | Very low | 160 Ų | 160 | 118.5 Ų | 118.5 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | 70.4 | 129.2 | 160.2 | -55.5 | 172.5 | 0 | 0 | 0 | 118.1 | ||||
| 676 | L | 32.7 | Very low | 36.8 | Very low | 159 Ų | 159 | 118.2 Ų | 118.2 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | cis | -143.4 | 151.6 | -11.8 | -86 | 165.5 | 0 | 0 | 0 | 106.9 | ||||
| 677 | G | 29.1 | Very low | 36.8 | Very low | 63 Ų | 63 | 120.4 Ų | 120.4 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | 75.7 | 130.2 | 80.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 678 | I | 30.2 | Very low | 38.3 | Very low | 169 Ų | 169 | 118 Ų | 118 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | cis | -160.7 | 148.3 | 16.2 | 36.4 | 170 | 0 | 0 | 0 | 112.7 | ||||
| 679 | S | 39.7 | Very low | 39.5 | Very low | 112 Ų | 112 | 115 Ų | 115 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -128.7 | 174.1 | 155.2 | -55.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 680 | P | 58.3 | Low | 39.5 | Very low | 123 Ų | 123 | 117.4 Ų | 117.4 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | cis | -142.9 | -115.3 | 30.6 | 30.1 | -0.1 | 0 | 0 | 0 | 117.1 | ||||
| 681 | P | 55.2 | Low | 39.7 | Very low | 118 Ų | 118 | 121 Ų | 121 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | -129.7 | -178.9 | -103.9 | 39.9 | -21.6 | 0 | 0 | 0 | 117.2 | |||||
| 682 | G | 28.6 | Very low | 39.5 | Very low | 63 Ų | 63 | 121.7 Ų | 121.7 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | 130.7 | 138.3 | 126 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 683 | T | 30.9 | Very low | 38.2 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | 66.4 | 118.7 | 147 | 57.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 684 | L | 31.9 | Very low | 36.9 | Very low | 168 Ų | 168 | 122.8 Ų | 122.8 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | 42.7 | 127.6 | 129.1 | -51.5 | 174.7 | 0 | 0 | 0 | 121.3 | |||||
| 685 | S | 25.3 | Very low | 36.7 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | 168.1 | -177.8 | 116.1 | -158.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 686 | C | 24.2 | Very low | 36.5 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -54.6 | 164.3 | -170 | -55.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 687 | S | 33.3 | Very low | 36.4 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -79.4 | 176.1 | 158.6 | -7.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 688 | P | 66.3 | Low | 36.8 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | cis | -122 | -108.7 | -20.1 | 28.8 | -5.6 | 0 | 0 | 0 | 111.5 | ||||
| 689 | P | 59.6 | Low | 37.3 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | -129.8 | 158.4 | -56 | 33.6 | -14.5 | 0 | 0 | 0 | 117.7 | |||||
| 690 | T | 33 | Very low | 37 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | 69.8 | 164 | 150.7 | -51.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 691 | M | 33.6 | Very low | 36 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | 98.9 | 149.7 | 168.8 | -59.1 | -63.3 | -153.4 | 0 | 0 | 117.7 | ||||
| 692 | L | 32.5 | Very low | 35.1 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | cis | -173.5 | 150.2 | -25.9 | -169.4 | 76.1 | 0 | 0 | 0 | 111.1 | ||||
| 693 | Q | 31.1 | Very low | 35.9 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | trans | 61.6 | 154.5 | 157.8 | -111.1 | 38.5 | 46 | 0 | 0 | 119.8 | ||||
| 694 | S | 31.6 | Very low | 36.3 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | cis | -133.6 | -158 | 17.6 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 695 | A | 28.9 | Very low | 37 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | cis | -155.2 | -130.8 | 12.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 696 | H | 30.8 | Very low | 37.8 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | -136.5 | 170.6 | -173.7 | -125 | -129 | 0 | 0 | 0 | 108.9 | ||||
| 697 | E | 31.1 | Very low | 38.4 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | cis | -155.9 | 120.1 | 33.6 | -166.5 | 152 | -123.1 | 0 | 0 | 114.1 | ||||
| 698 | E | 35.8 | Very low | 38.9 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | trans | 55 | -172.2 | 154.5 | -62.3 | -162.2 | -163.4 | 0 | 0 | 119 | ||||
| 699 | L | 42.4 | Very low | 37.5 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | cis | -150 | -174.8 | 17.5 | -118.1 | -175.2 | 0 | 0 | 0 | 114.3 | ||||
| 700 | N | 33.4 | Very low | 36.3 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -38.2 | 148.5 | -179.1 | -66.7 | -40.8 | 0 | 0 | 0 | 117.8 | ||||
| 701 | G | 35.9 | Very low | 36.5 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 78% | 0.784 | 73% | 0.729 | S | S | * | * | cis | 134.7 | 166.9 | 6.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 702 | S | 37.1 | Very low | 36.5 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | cis | -171.1 | 176.5 | -10.8 | -162.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 703 | L | 44.9 | Very low | 36.7 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | 69.4 | 148.9 | 166.4 | -103.1 | 62.4 | 0 | 0 | 0 | 118.8 | ||||
| 704 | D | 40.5 | Very low | 38.1 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | cis | -131.5 | 127.5 | 5.9 | -84.9 | -78.8 | 0 | 0 | 0 | 109.5 | ||||
| 705 | H | 44.8 | Very low | 38 | Very low | 157 Ų | 157 | 125 Ų | 125 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | 72 | 118 | 75.6 | -176 | -106.2 | 0 | 0 | 0 | 112.3 | |||||
| 706 | L | 43.5 | Very low | 38.1 | Very low | 135 Ų | 135 | 132 Ų | 132 | 71% | 0.707 | 75% | 0.745 | S | S | * | * | cis | -117.5 | -152.7 | 21.1 | -68 | 157.5 | 0 | 0 | 0 | 112.2 | ||||
| 707 | D | 36.8 | Very low | 38.3 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | cis | -152.3 | -134.9 | 1.3 | -157.9 | -92.8 | 0 | 0 | 0 | 113.2 | ||||
| 708 | T | 42.5 | Very low | 39.8 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | trans | -138.4 | -171.8 | -164.6 | 68.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 709 | N | 36.6 | Very low | 40.1 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | cis | -160.6 | 177.1 | 2 | -125.3 | -46 | 0 | 0 | 0 | 107.1 | ||||
| 710 | G | 35 | Very low | 39.5 | Very low | 53 Ų | 53 | 126.2 Ų | 126.2 | 55% | 0.546 | 76% | 0.755 | S | S | . | * | cis | 160.1 | 140.2 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 711 | H | 37.9 | Very low | 39.2 | Very low | 182 Ų | 182 | 127 Ų | 127 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | 65.2 | 161.2 | 170.1 | -66.7 | -60.8 | 0 | 0 | 0 | 118.4 | ||||
| 712 | S | 33.2 | Very low | 39.2 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -163.6 | 174.8 | -17.9 | -100.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 713 | S | 37.3 | Very low | 39.3 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -138.1 | -173 | 179.4 | -41 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 714 | P | 60.5 | Low | 39.4 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 84% | 0.844 | 74% | 0.743 | S | S | * | * | cis | -139.1 | 178 | -10.8 | 42.3 | -25.1 | 0 | 0 | 0 | 116.5 | ||||
| 715 | G | 28.2 | Very low | 38.7 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | 120.8 | 127.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 716 | Y | 31.7 | Very low | 37.8 | Very low | 242 Ų | 242 | 129.2 Ų | 129.2 | 95% | 0.949 | 75% | 0.751 | S | S | * | * | trans | 47 | 156.6 | 151.7 | -90.7 | -97.2 | 0 | 0 | 0 | 124.7 | ||||
| 717 | S | 35 | Very low | 36.8 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | -108.8 | -171.7 | -168.1 | 1.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 718 | P | 63.3 | Low | 36.6 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | cis | -128.1 | -171.9 | -25.6 | 39.1 | -22.1 | 0 | 0 | 0 | 112.7 | ||||
| 719 | P | 42.5 | Very low | 35.9 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | -155.4 | 153.4 | 115 | 38.3 | -19.9 | 0 | 0 | 0 | 119.5 | |||||
| 720 | V | 28.2 | Very low | 35.6 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | trans | 10.3 | 124.3 | 141.7 | -173.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 721 | H | 27.6 | Very low | 36.6 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | -165.4 | 134.4 | 117 | -153.9 | -20.9 | 0 | 0 | 0 | 113.2 | |||||
| 722 | M | 35 | Very low | 36.3 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -143.2 | 144.2 | 161 | -128.9 | -74.2 | 172.8 | 0 | 0 | 107.7 | ||||
| 723 | P | 40.4 | Very low | 36.5 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 57% | 0.571 | 76% | 0.76 | S | S | * | * | -157.7 | -166.7 | 112 | 41.5 | -22.8 | 0 | 0 | 0 | 113.3 | |||||
| 724 | P | 46.4 | Very low | 36.6 | Very low | 109 Ų | 109 | 138 Ų | 138 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | cis | -108.1 | 168.7 | -38.5 | 16.8 | 5.7 | 0 | 0 | 0 | 110.8 | ||||
| 725 | V | 26.8 | Very low | 35.6 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | cis | 99.6 | 104.8 | 19.9 | 176.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 726 | H | 24.8 | Very low | 36.5 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | 67.4 | 160.2 | 155 | -104.9 | 27 | 0 | 0 | 0 | 118.2 | ||||
| 727 | V | 23.9 | Very low | 37.1 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | cis | -141.9 | 129.2 | 8.8 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 728 | K | 31.6 | Very low | 37 | Very low | 172 Ų | 172 | 140 Ų | 140 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | 54.4 | 145.5 | 96.4 | -149 | -155.2 | 163.9 | -154.4 | 0 | 118.1 | |||||
| 729 | E | 28.2 | Very low | 35.5 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | 104.4 | 89.4 | 155 | -52.6 | -164.9 | 161.4 | 0 | 0 | 121.7 | ||||
| 730 | E | 29.5 | Very low | 36 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | 72.1 | 175.1 | 122 | -112.8 | -168.1 | 101.5 | 0 | 0 | 122 | |||||
| 731 | P | 56.8 | Low | 36.1 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | -129.4 | -175 | -116.4 | 44.9 | -28.2 | 0 | 0 | 0 | 116.6 | |||||
| 732 | L | 32.3 | Very low | 36.4 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | 176.4 | 122.3 | 131.2 | -95.6 | 165.9 | 0 | 0 | 0 | 116 | ||||
| 733 | N | 37 | Very low | 36.4 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 27.5 | 129.9 | 145.3 | -73.2 | -36.2 | 0 | 0 | 0 | 124.8 | ||||
| 734 | M | 39.6 | Very low | 36 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | 173.1 | 134.5 | 95.5 | -86.2 | -164.1 | 73 | 0 | 0 | 114.2 | |||||
| 735 | D | 38 | Very low | 35.2 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | trans | 42.6 | 131.9 | 148.5 | -49.5 | -147.2 | 0 | 0 | 0 | 120.7 | ||||
| 736 | D | 47.6 | Very low | 35.6 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | cis | 76.5 | 148.6 | 26.3 | -58.1 | -58.9 | 0 | 0 | 0 | 115.9 | ||||
| 737 | D | 44.7 | Very low | 35.8 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | cis | -92.6 | -144.1 | 0.3 | -64.6 | -75.7 | 0 | 0 | 0 | 113.4 | ||||
| 738 | D | 33.3 | Very low | 36.2 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | cis | -158.1 | -178.1 | 9.1 | -168.9 | 13 | 0 | 0 | 0 | 112.2 | ||||
| 739 | C | 31 | Very low | 36.1 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -150.3 | -147.6 | -168.1 | -137.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 740 | P | 53.8 | Low | 36.4 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | cis | -134 | 153.3 | -25.6 | 35.4 | -17.3 | 0 | 0 | 0 | 116.8 | ||||
| 741 | M | 29.3 | Very low | 37.1 | Very low | 194 Ų | 194 | 135.4 Ų | 135.4 | 96% | 0.956 | 78% | 0.779 | S | S | * | * | -173.4 | 135.7 | 111.9 | -104.5 | -168.4 | 172.1 | 0 | 0 | 111.2 | |||||
| 742 | S | 33.7 | Very low | 35.9 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -131.2 | 161.9 | -164.1 | -166.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 743 | L | 35.2 | Very low | 36 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -86.1 | -160.9 | 165.2 | -68.4 | 162.3 | 0 | 0 | 0 | 110.5 | ||||
| 744 | V | 32.4 | Very low | 35.6 | Very low | 123 Ų | 123 | 139 Ų | 139 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | trans | 82.5 | 133.2 | 170.6 | -178.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 745 | T | 30.5 | Very low | 35.2 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | cis | 104.9 | 100.1 | 13.1 | -48.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 746 | T | 34.8 | Very low | 35 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | trans | 66.8 | 148.9 | 153.6 | 55.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 747 | A | 29 | Very low | 34.3 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | 103.9 | 161.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 748 | N | 32.2 | Very low | 33.7 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -113.5 | 160.3 | -162.9 | -47 | -62.2 | 0 | 0 | 0 | 113.5 | ||||
| 749 | H | 29.9 | Very low | 33.9 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | 162.3 | 168.3 | 116.2 | -84.8 | -66.5 | 0 | 0 | 0 | 113.2 | |||||
| 750 | S | 34.6 | Very low | 34.3 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -94.5 | 179.7 | -167.6 | -44.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 751 | P | 43.9 | Very low | 33.3 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | -135 | -175.3 | 115.9 | 38.9 | -28.7 | 0 | 0 | 0 | 114.8 | |||||
| 752 | E | 30.2 | Very low | 33.4 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | -122.8 | -164.1 | -165.5 | -61.3 | 175.4 | 89.7 | 0 | 0 | 113.6 | ||||
| 753 | L | 34.6 | Very low | 33.3 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | 83.7 | 145.5 | 167.1 | -47.2 | -177.3 | 0 | 0 | 0 | 117.7 | ||||
| 754 | D | 29.6 | Very low | 33.3 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | -164.6 | -174.3 | -36.3 | -127.5 | -60.1 | 0 | 0 | 0 | 110.3 | ||||
| 755 | D | 31.8 | Very low | 33.5 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | 67.8 | 149 | 179.3 | -67.7 | -58.9 | 0 | 0 | 0 | 115.6 | ||||
| 756 | D | 33.6 | Very low | 33.8 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | cis | -149.7 | 150 | 17.5 | -135.2 | -31 | 0 | 0 | 0 | 112 | ||||
| 757 | R | 33.4 | Very low | 33.7 | Very low | 191 Ų | 191 | 144 Ų | 144 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | 13 | 155.1 | 146.7 | -64.5 | 165.7 | 75.9 | 129.6 | 9.4 | 122 | ||||
| 758 | E | 31.9 | Very low | 34.2 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 59% | 0.593 | 77% | 0.772 | S | S | * | * | cis | -165.1 | 159.9 | 6.3 | -118.5 | 170.3 | 133.1 | 0 | 0 | 112.5 | ||||
| 759 | L | 37.7 | Very low | 34.2 | Very low | 139 Ų | 139 | 152.6 Ų | 152.6 | 73% | 0.728 | 80% | 0.797 | S | S | * | * | trans | 46.2 | 113.2 | 148.8 | -61.5 | 169.7 | 0 | 0 | 0 | 124.6 | ||||
| 760 | E | 37.5 | Very low | 34.4 | Very low | 189 Ų | 189 | 151.2 Ų | 151.2 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | -174.8 | 115.1 | 108.8 | -99.4 | -168 | 164.7 | 0 | 0 | 106 | |||||
| 761 | E | 34.6 | Very low | 34.4 | Very low | 178 Ų | 178 | 153.6 Ų | 153.6 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | 89.1 | 98.5 | 53.6 | -167.5 | 165.5 | -154.4 | 0 | 0 | 114.7 | |||||
| 762 | G | 30.1 | Very low | 33.9 | Very low | 74 Ų | 74 | 154.8 Ų | 154.8 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 86.9 | 161 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 763 | N | 31.8 | Very low | 34.1 | Very low | 152 Ų | 152 | 153.5 Ų | 153.5 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | cis | -165.3 | 101.9 | -16.1 | -179.6 | 19.6 | 0 | 0 | 0 | 109.7 | ||||
| 764 | L | 34.6 | Very low | 34.1 | Very low | 176 Ų | 176 | 153.4 Ų | 153.4 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -153.5 | 108.8 | 172.4 | -76.5 | -177.6 | 0 | 0 | 0 | 112 | ||||
| 765 | S | 38.4 | Very low | 34.4 | Very low | 99 Ų | 99 | 154.8 Ų | 154.8 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -149.2 | 149.3 | 160.5 | -80.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 766 | E | 36.1 | Very low | 34.6 | Very low | 182 Ų | 182 | 155.7 Ų | 155.7 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | 65 | 144.4 | 176.3 | -67.9 | 148.3 | 87.1 | 0 | 0 | 114.8 | ||||
| 767 | D | 33.3 | Very low | 34.6 | Very low | 134 Ų | 134 | 158.2 Ų | 158.2 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | cis | -143.4 | -172.5 | 4.2 | -153.2 | -139 | 0 | 0 | 0 | 113.5 | ||||
| 768 | L | 39.4 | Very low | 34.7 | Very low | 147 Ų | 147 | 155.4 Ų | 155.4 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | -50.4 | 144 | -173.8 | -79.5 | 70.6 | 0 | 0 | 0 | 116.6 | ||||
| 769 | E | 31.5 | Very low | 35 | Very low | 268 Ų | 268 | 158 Ų | 158 | 100% | 1.252 | 84% | 0.838 | S | S | * | * | -152.7 | 0 | 105.4 | -150.7 | 171 | 102.2 | 0 | 0 | 111.7 |
Retrieved 769 of 769 residues in 153.3 ms
(Link to these results)