| 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 | 34.1 | Very low | 35.4 | Very low | 240 Ų | 240 | 133.2 Ų | 133.2 | 100% | 1.182 | 83% | 0.831 | S | S | * | * | 0 | 115.5 | 0 | -178.9 | 176.8 | -175.7 | 0 | 0 | 105.2 | |||||
| 2 | A | 35.3 | Very low | 35.3 | Very low | 83 Ų | 83 | 132.9 Ų | 132.9 | 69% | 0.686 | 83% | 0.828 | S | S | * | * | trans | 60.1 | 143.2 | -154.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | E | 33.8 | Very low | 35.1 | Very low | 187 Ų | 187 | 130.3 Ų | 130.3 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | cis | 79.7 | 143.3 | 24.5 | -61.5 | -166.7 | 118.9 | 0 | 0 | 115.5 | ||||
| 4 | A | 37.9 | Very low | 34.6 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | cis | -170 | -173.7 | -17.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 5 | S | 33.1 | Very low | 34.7 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | 92.2 | 134.9 | 160.8 | -155.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 6 | F | 36.1 | Very low | 35.2 | Very low | 215 Ų | 215 | 134.8 Ų | 134.8 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | trans | -134.8 | 152.7 | 170.8 | -95.3 | -84.2 | 0 | 0 | 0 | 108 | ||||
| 7 | G | 31.5 | Very low | 35.4 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | -170.5 | 143.6 | 172 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 8 | S | 32.7 | Very low | 35.2 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | 60.5 | 115.7 | 157.8 | -165.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 9 | S | 31.6 | Very low | 35.3 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | -163.3 | 142.4 | 124.7 | -82.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 10 | S | 34.3 | Very low | 35.4 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -141.3 | 154.8 | 165.7 | -70.7 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 11 | P | 48.9 | Very low | 35.4 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | -158.8 | 171.9 | 58.1 | 45.5 | -24.2 | 0 | 0 | 0 | 119 | |||||
| 12 | V | 34.2 | Very low | 35.7 | Very low | 130 Ų | 130 | 125 Ų | 125 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | 42.4 | 141.6 | 130.2 | 175 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 13 | C | 33.5 | Very low | 36.3 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | cis | -177.5 | 166 | -18.6 | -91.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 14 | F | 28 | Very low | 37.1 | Very low | 203 Ų | 203 | 127 Ų | 127 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | 179.2 | 174.5 | 124.4 | -110.2 | -83 | 0 | 0 | 0 | 113.3 | |||||
| 15 | I | 35.4 | Very low | 37.4 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -140.5 | 140.3 | -152.1 | -78 | 168.8 | 0 | 0 | 0 | 109.9 | V17 | I15-V17 HydrophobicContact CG2-CG2 3.94Š| ||
| 16 | P | 43.6 | Very low | 38.5 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | -158.6 | 180 | 98.7 | 40.5 | -20 | 0 | 0 | 0 | 118.1 | |||||
| 17 | V | 37.7 | Very low | 39.3 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | cis | -166.9 | 138.9 | -41.5 | 145.3 | 0 | 0 | 0 | 0 | 108.6 | I15 | I15-V17 HydrophobicContact CG2-CG2 3.94Š| ||
| 18 | G | 32.5 | Very low | 40.7 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | 83.1 | 159.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 19 | S | 37.3 | Very low | 42 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | cis | -168.5 | 170.6 | -9.6 | -93.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 20 | L | 37.3 | Very low | 43.5 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | 87.3 | 118.5 | 165.9 | -50.1 | -178.7 | 0 | 0 | 0 | 118.9 | ||||
| 21 | S | 34.6 | Very low | 44.6 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | trans | -151 | 159.4 | 142.8 | -167.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 22 | S | 41.2 | Very low | 45 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -85.2 | 167.1 | -169.6 | 44 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 23 | E | 46.9 | Very low | 46.1 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | trans | -82.7 | 129.2 | 170.8 | -165 | 118 | 97 | 0 | 0 | 109.7 | ||||
| 24 | D | 50 | Low | 47.4 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | trans | -108.6 | 136 | 166.4 | -75 | -48.8 | 0 | 0 | 0 | 108.7 | ||||
| 25 | H | 46.1 | Very low | 48.8 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -107.9 | 115.9 | 176.4 | -77.3 | -47.5 | 0 | 0 | 0 | 110.2 | ||||
| 26 | D | 54.8 | Low | 49.8 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | trans | -59.8 | 134.4 | 170.2 | -67.2 | -58 | 0 | 0 | 0 | 110.9 | D28 | D26-D28 PolarHBondContact O-N 3.19Š| ||
| 27 | F | 54.3 | Low | 50.2 | Low | 198 Ų | 198 | 129.3 Ų | 129.3 | 87% | 0.868 | 73% | 0.725 | S | S | * | * | trans | -96.1 | 89.8 | -174 | -154 | -81.8 | 0 | 0 | 0 | 110.8 | P29 | F27-P29 WeakPolarHBondContact O-CD 3.41Š| ||
| 28 | D | 60.8 | Low | 50.9 | Low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -79.4 | 114.7 | -176.5 | -150.2 | 8.6 | 0 | 0 | 0 | 110.6 | D26 T30 | D26-D28 PolarHBondContact O-N 3.19Å; D28-T30 PolarHBondContact O-N 2.96Å | ||
| 29 | P | 59.9 | Low | 52.1 | Low | 75 Ų | 75 | 135.8 Ų | 135.8 | 49% | 0.487 | 73% | 0.725 | S | S | . | * | trans | -67.9 | 124.8 | -172.5 | 25.9 | -33.1 | 0 | 0 | 0 | 111.7 | F27 | F27-P29 WeakPolarHBondContact O-CD 3.41Š| ||
| 30 | T | 62.2 | Low | 52.9 | Low | 95 Ų | 95 | 136.4 Ų | 136.4 | 58% | 0.583 | 72% | 0.72 | S | S | * | * | trans | -70.8 | 143.9 | -175.8 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | D28 E32 M33 | D28-T30 PolarHBondContact O-N 2.96Å; T30-E32 PolarHBondContact O-N 3.21Å; T30-M33 WeakPolarHBondContact O-CB 3.43Å; T30-M33 PolarHBondContact O-N 2.93Å | ||
| 31 | A | 57.6 | Low | 53.8 | Low | 77 Ų | 77 | 133.3 Ų | 133.3 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -57.3 | -16.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | M33 L34 | A31-M33 PolarHBondContact O-N 3.1Å; A31-L34 PolarHBondContact O-N 3.48Å |
| 32 | E | 57.8 | Low | 54.8 | Low | 167 Ų | 167 | 136.5 Ų | 136.5 | 78% | 0.78 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -72.3 | -9.1 | 171.1 | -67.4 | -172.5 | 145.1 | 0 | 0 | 113.5 | T30 V35 | T30-E32 PolarHBondContact O-N 3.21Å; E32-V35 WeakPolarHBondContact O-CG2 3.26Å |
| 33 | M | 57.4 | Low | 55.6 | Low | 133 Ų | 133 | 136.2 Ų | 136.2 | 66% | 0.655 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -85.9 | -19.9 | 170.1 | -71.6 | 178.5 | 61 | 0 | 0 | 113.6 | T30 A31 | T30-M33 WeakPolarHBondContact O-CB 3.43Å; T30-M33 PolarHBondContact O-N 2.93Å; A31-M33 PolarHBondContact O-N 3.1Å |
| 34 | L | 59.9 | Low | 55.9 | Low | 92 Ų | 92 | 132.7 Ų | 132.7 | 48% | 0.482 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -92.2 | 1.6 | -177.1 | -71.6 | 91.1 | 0 | 0 | 0 | 113.7 | A31 H36 D37 | A31-L34 PolarHBondContact O-N 3.48Å; L34-H36 PolarHBondContact O-N 2.92Å; L34-D37 WeakPolarHBondContact CA-OD2 3.43Å; L34-D37 WeakPolarHBondContact CB-OD2 3.42Å; L34-D37 WeakPolarHBondContact CG-OD2 3.38Å; L34-D37 PolarHBondContact O-N 3.02Å |
| 35 | V | 58 | Low | 56.3 | Low | 97 Ų | 97 | 132 Ų | 132 | 59% | 0.588 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -78.3 | 3.4 | 175.8 | -71.1 | 0 | 0 | 0 | 0 | 113.9 | E32 | E32-V35 WeakPolarHBondContact O-CG2 3.26Š|
| 36 | H | 55.4 | Low | 57 | Low | 168 Ų | 168 | 129.2 Ų | 129.2 | 78% | 0.778 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -100.3 | -2.7 | 168.3 | -64.6 | -45.9 | 0 | 0 | 0 | 113.5 | L34 Y38 | L34-H36 PolarHBondContact O-N 2.92Å; H36-Y38 PolarHBondContact O-N 3.48Å; H36-Y38 VanDerWaalsContact O-N 3.07Å |
| 37 | D | 52.7 | Low | 57.1 | Low | 115 Ų | 115 | 128.6 Ų | 128.6 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | trans | -78.8 | 19.5 | 175.7 | -56.1 | -28.1 | 0 | 0 | 0 | 112.7 | L34 D39 | L34-D37 WeakPolarHBondContact CA-OD2 3.43Å; L34-D37 WeakPolarHBondContact CB-OD2 3.42Å; L34-D37 WeakPolarHBondContact CG-OD2 3.38Å; L34-D37 PolarHBondContact O-N 3.02Å; D37-D39 VanDerWaalsContact C-N 3.3Å; D37-D39 PolarHBondContact O-N 3.46Å; D37-D39 VanDerWaalsContact O-N 3.13Å | ||
| 38 | Y | 52.7 | Low | 57.3 | Low | 206 Ų | 206 | 125.9 Ų | 125.9 | 81% | 0.808 | 64% | 0.635 | S | S | * | * | trans | -87.5 | 73.6 | 175.8 | -103.4 | -76.6 | 0 | 0 | 0 | 110.6 | H36 D40 | H36-Y38 PolarHBondContact O-N 3.48Å; H36-Y38 VanDerWaalsContact O-N 3.07Å; Y38-D40 PolarHBondContact O-N 3.04Å | ||
| 39 | D | 57.5 | Low | 57.2 | Low | 126 Ų | 126 | 125 Ų | 125 | 67% | 0.674 | 63% | 0.627 | S | S | * | * | trans | -29.7 | 95.4 | 170.6 | -159.4 | 40 | 0 | 0 | 0 | 113.1 | D37 E41 | D37-D39 VanDerWaalsContact C-N 3.3Å; D37-D39 PolarHBondContact O-N 3.46Å; D37-D39 VanDerWaalsContact O-N 3.13Å; D39-E41 VanDerWaalsContact C-N 3.27Å; D39-E41 PolarHBondContact O-N 3.2Å; D39-E41 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 40 | D | 54.3 | Low | 56.8 | Low | 126 Ų | 126 | 128.9 Ų | 128.9 | 67% | 0.674 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 9.3 | -173.5 | 53.9 | -32.2 | 0 | 0 | 0 | 113.8 | Y38 R42 T43 | Y38-D40 PolarHBondContact O-N 3.04Å; D40-R42 PolarHBondContact O-N 3.29Å; D40-T43 VanDerWaalsContact O-CB 3.3Å; D40-T43 WeakPolarHBondContact O-CB 3.42Å; D40-T43 PolarHBondContact O-N 2.98Å; D40-T43 PolarHBondContact O-OG1 3.35Å |
| 41 | E | 55.8 | Low | 56.3 | Low | 111 Ų | 111 | 128.2 Ų | 128.2 | 52% | 0.519 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -39.6 | -35.1 | 162.8 | -70.6 | -73.9 | 162.8 | 0 | 0 | 113.3 | D39 T43 L44 E45 | D39-E41 VanDerWaalsContact C-N 3.27Å; D39-E41 PolarHBondContact O-N 3.2Å; D39-E41 WeakPolarHBondContact OD1-CG 3.48Å; E41-T43 PolarHBondContact O-N 3.12Å; E41-T43 VanDerWaalsContact O-N 3.16Å; E41-L44 WeakPolarHBondContact O-CB 3.43Å; E41-L44 PolarHBondContact O-N 3.34Å; E41-E45 PolarHBondContact O-N 3.39Å |
| 42 | R | 56.3 | Low | 55.8 | Low | 190 Ų | 190 | 134 Ų | 134 | 72% | 0.717 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.6 | -23.3 | 176.9 | -162.7 | 178.3 | -166.4 | -70.2 | -12.3 | 113.8 | D40 | D40-R42 PolarHBondContact O-N 3.29Å |
| 43 | T | 56.5 | Low | 55.7 | Low | 95 Ų | 95 | 128.2 Ų | 128.2 | 58% | 0.583 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -85.5 | -34.9 | 174.8 | -27.2 | 0 | 0 | 0 | 0 | 110.6 | D40 E41 E46 E47 | D40-T43 VanDerWaalsContact O-CB 3.3Å; D40-T43 WeakPolarHBondContact O-CB 3.42Å; D40-T43 PolarHBondContact O-N 2.98Å; D40-T43 PolarHBondContact O-OG1 3.35Å; E41-T43 PolarHBondContact O-N 3.12Å; E41-T43 VanDerWaalsContact O-N 3.16Å; T43-E46 PolarHBondContact O-N 2.74Å; T43-E47 PolarHBondContact O-N 3.19Å |
| 44 | L | 54.2 | Low | 55.9 | Low | 89 Ų | 89 | 127.4 Ų | 127.4 | 47% | 0.466 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71 | -42.9 | 179.6 | -157.4 | 159.2 | 0 | 0 | 0 | 110.9 | E41 E46 E47 E48 | E41-L44 WeakPolarHBondContact O-CB 3.43Å; E41-L44 PolarHBondContact O-N 3.34Å; L44-E46 VanDerWaalsContact C-N 3.3Å; L44-E46 PolarHBondContact O-N 2.93Å; L44-E47 PolarHBondContact O-N 3.27Å; L44-E48 HydrophobicContact CD2-CG 4.31Å; L44-E48 PolarHBondContact O-N 3.1Å |
| 45 | E | 58.7 | Low | 55.9 | Low | 134 Ų | 134 | 129 Ų | 129 | 63% | 0.626 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.2 | -30.9 | 172.5 | -170.4 | -178 | -138 | 0 | 0 | 112.4 | E41 M49 | E41-E45 PolarHBondContact O-N 3.39Å; E45-M49 WeakPolarHBondContact O-CE 3.37Å; E45-M49 PolarHBondContact O-N 3.25Å |
| 46 | E | 60.1 | Low | 56.4 | Low | 107 Ų | 107 | 130.5 Ų | 130.5 | 50% | 0.5 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -77.2 | -26.6 | 174.6 | -168.2 | 165.3 | 176.8 | 0 | 0 | 112.5 | T43 L44 | T43-E46 PolarHBondContact O-N 2.74Å; L44-E46 VanDerWaalsContact C-N 3.3Å; L44-E46 PolarHBondContact O-N 2.93Å |
| 47 | E | 57.2 | Low | 57.3 | Low | 153 Ų | 153 | 126.5 Ų | 126.5 | 72% | 0.715 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -80.5 | -43.6 | 174.9 | -163.8 | 159.8 | -132.7 | 0 | 0 | 111.9 | T43 L44 M49 M50 | T43-E47 PolarHBondContact O-N 3.19Å; L44-E47 PolarHBondContact O-N 3.27Å; E47-M49 VanDerWaalsContact C-N 3.32Å; E47-M49 PolarHBondContact O-N 3.42Å; E47-M50 PolarHBondContact O-N 2.9Å |
| 48 | E | 59 | Low | 58.3 | Low | 140 Ų | 140 | 124.2 Ų | 124.2 | 65% | 0.654 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59.6 | -37.9 | 174.6 | -79.7 | -157.3 | 139.4 | 0 | 0 | 112.6 | L44 M50 D51 | L44-E48 HydrophobicContact CD2-CG 4.31Å; L44-E48 PolarHBondContact O-N 3.1Å; E48-M50 PolarHBondContact O-N 3.29Å; E48-M50 VanDerWaalsContact O-N 3.13Å; E48-D51 PolarHBondContact O-N 3.4Å |
| 49 | M | 58.1 | Low | 59.7 | Low | 129 Ų | 129 | 119.8 Ų | 119.8 | 64% | 0.635 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -6.1 | -178.4 | 78.9 | 170.4 | 68.7 | 0 | 0 | 114.8 | E45 E47 | E45-M49 WeakPolarHBondContact O-CE 3.37Å; E45-M49 PolarHBondContact O-N 3.25Å; E47-M49 VanDerWaalsContact C-N 3.32Å; E47-M49 PolarHBondContact O-N 3.42Å |
| 50 | M | 50.8 | Low | 60.8 | Low | 156 Ų | 156 | 118.6 Ų | 118.6 | 77% | 0.768 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -12.2 | 168.4 | -59.9 | -144.2 | -165.4 | 0 | 0 | 113.3 | E47 E48 | E47-M50 PolarHBondContact O-N 2.9Å; E48-M50 PolarHBondContact O-N 3.29Å; E48-M50 VanDerWaalsContact O-N 3.13Å |
| 51 | D | 51.3 | Low | 62.2 | Low | 82 Ų | 82 | 119.1 Ų | 119.1 | 44% | 0.439 | 60% | 0.595 | S | S | . | * | trans | -94.7 | 7.4 | -175.5 | -166.8 | 18 | 0 | 0 | 0 | 113.2 | E48 G53 K54 | E48-D51 PolarHBondContact O-N 3.4Å; D51-G53 PolarHBondContact O-N 3.46Å; D51-K54 WeakPolarHBondContact OD1-CE 3.42Å; D51-K54 VanDerWaalsContact OD1-CG 3.31Å; D51-K54 WeakPolarHBondContact OD1-CG 3.48Å; D51-K54 IonicContact OD1-NZ 2.62Å; D51-K54 PolarHBondContact OD1-NZ 2.77Å; D51-K54 IonicContact OD2-NZ 3.39Å; D51-K54 PolarHBondContact OD2-NZ 3.12Å | ||
| 52 | E | 48.4 | Very low | 63.6 | Low | 198 Ų | 198 | 117.5 Ų | 117.5 | 93% | 0.925 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 19.6 | 169.7 | -150.3 | -178.1 | -149.5 | 0 | 0 | 113 | ||
| 53 | G | 56.4 | Low | 64.9 | Low | 46 Ų | 46 | 113.6 Ų | 113.6 | 47% | 0.474 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -150.6 | 46.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D51 N55 | D51-G53 PolarHBondContact O-N 3.46Å; G53-N55 VanDerWaalsContact C-N 3.35Å; G53-N55 PolarHBondContact O-N 3.49Å |
| 54 | K | 59.9 | Low | 66.3 | Low | 116 Ų | 116 | 115.5 Ų | 115.5 | 50% | 0.504 | 59% | 0.585 | S | S | . | * | trans | -58.8 | 92.4 | 173.9 | -75.4 | -170.6 | 173.4 | 58.5 | 0 | 111.9 | D51 F56 | D51-K54 WeakPolarHBondContact OD1-CE 3.42Å; D51-K54 VanDerWaalsContact OD1-CG 3.31Å; D51-K54 WeakPolarHBondContact OD1-CG 3.48Å; D51-K54 IonicContact OD1-NZ 2.62Å; D51-K54 PolarHBondContact OD1-NZ 2.77Å; D51-K54 IonicContact OD2-NZ 3.39Å; D51-K54 PolarHBondContact OD2-NZ 3.12Å; K54-F56 VanDerWaalsContact C-N 3.31Å; K54-F56 HydrophobicContact CB-CE1 4.4Å; K54-F56 HydrophobicContact CB-CZ 4.39Å; K54-F56 WeakPolarHBondContact O-CD2 3.47Å; K54-F56 PolarHBondContact O-N 2.98Å | ||
| 55 | N | 60.9 | Low | 67.7 | Low | 124 Ų | 124 | 116.5 Ų | 116.5 | 66% | 0.663 | 59% | 0.586 | S | S | * | * | trans | -74.7 | 83.3 | 173.5 | -70.5 | -26.8 | 0 | 0 | 0 | 109.3 | G53 S57 S58 | G53-N55 VanDerWaalsContact C-N 3.35Å; G53-N55 PolarHBondContact O-N 3.49Å; N55-S57 PolarHBondContact O-N 3.45Å; N55-S58 PolarHBondContact O-N 3.18Å; N55-S58 PolarHBondContact O-OG 3.32Å | ||
| 56 | F | 67.4 | Low | 68.9 | Low | 130 Ų | 130 | 112.4 Ų | 112.4 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -49.2 | -18 | -179.6 | -57.9 | -73.4 | 0 | 0 | 0 | 114.7 | K54 S58 E59 I60 | K54-F56 VanDerWaalsContact C-N 3.31Å; K54-F56 HydrophobicContact CB-CE1 4.4Å; K54-F56 HydrophobicContact CB-CZ 4.39Å; K54-F56 WeakPolarHBondContact O-CD2 3.47Å; K54-F56 PolarHBondContact O-N 2.98Å; F56-S58 VanDerWaalsContact C-N 3.29Å; F56-S58 PolarHBondContact O-N 3.43Å; F56-E59 PolarHBondContact O-N 3.45Å; F56-I60 HydrophobicContact CB-CD1 4.24Å; F56-I60 WeakPolarHBondContact O-CB 3.3Å; F56-I60 WeakPolarHBondContact O-CD1 3.12Å; F56-I60 WeakPolarHBondContact O-CG1 3.49Å; F56-I60 PolarHBondContact O-N 3.02Å |
| 57 | S | 75.1 | Confident | 69.9 | Low | 84 Ų | 84 | 110.6 Ų | 110.6 | 59% | 0.587 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -56.6 | -35.1 | 172.2 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | N55 E61 | N55-S57 PolarHBondContact O-N 3.45Å; S57-E61 VanDerWaalsContact O-CB 3.24Å; S57-E61 WeakPolarHBondContact O-CB 3.42Å; S57-E61 PolarHBondContact O-N 2.85Å |
| 58 | S | 74.9 | Confident | 71.1 | Confident | 67 Ų | 67 | 108.5 Ų | 108.5 | 47% | 0.469 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -76.1 | -40.2 | 178.4 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | N55 F56 I60 E61 D62 | N55-S58 PolarHBondContact O-N 3.18Å; N55-S58 PolarHBondContact O-OG 3.32Å; F56-S58 VanDerWaalsContact C-N 3.29Å; F56-S58 PolarHBondContact O-N 3.43Å; S58-I60 VanDerWaalsContact C-N 3.31Å; S58-I60 PolarHBondContact O-N 3.1Å; S58-E61 PolarHBondContact O-N 3.37Å; S58-D62 PolarHBondContact O-N 2.94Å |
| 59 | E | 81.4 | Confident | 72.2 | Confident | 112 Ų | 112 | 104.3 Ų | 104.3 | 52% | 0.523 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.9 | -41.6 | 172.9 | -173 | -178.6 | 176.8 | 0 | 0 | 111 | F56 L63 | F56-E59 PolarHBondContact O-N 3.45Å; E59-L63 HydrophobicContact CG-CD1 4.32Å; E59-L63 WeakPolarHBondContact O-CB 3.4Å; E59-L63 VanDerWaalsContact O-CG 3.22Å; E59-L63 WeakPolarHBondContact O-CG 3.49Å; E59-L63 PolarHBondContact O-N 3.14Å |
| 60 | I | 80.4 | Confident | 73.5 | Confident | 102 Ų | 102 | 101.8 Ų | 101.8 | 52% | 0.523 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 175.1 | -68.1 | 165.4 | 0 | 0 | 0 | 111.7 | F56 S58 L63 E64 | F56-I60 HydrophobicContact CB-CD1 4.24Å; F56-I60 WeakPolarHBondContact O-CB 3.3Å; F56-I60 WeakPolarHBondContact O-CD1 3.12Å; F56-I60 WeakPolarHBondContact O-CG1 3.49Å; F56-I60 PolarHBondContact O-N 3.02Å; S58-I60 VanDerWaalsContact C-N 3.31Å; S58-I60 PolarHBondContact O-N 3.1Å; I60-L63 PolarHBondContact O-N 3.46Å; I60-E64 WeakPolarHBondContact O-CB 3.22Å; I60-E64 PolarHBondContact O-N 3.19Å |
| 61 | E | 84.4 | Confident | 74.9 | Confident | 136 Ų | 136 | 100 Ų | 100 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.9 | -41.7 | 176.9 | -177.4 | 172.1 | -169.1 | 0 | 0 | 111.6 | S57 S58 K65 | S57-E61 VanDerWaalsContact O-CB 3.24Å; S57-E61 WeakPolarHBondContact O-CB 3.42Å; S57-E61 PolarHBondContact O-N 2.85Å; S58-E61 PolarHBondContact O-N 3.37Å; E61-K65 WeakPolarHBondContact O-CB 3.4Å; E61-K65 PolarHBondContact O-N 3.16Å |
| 62 | D | 84.3 | Confident | 76.4 | Confident | 77 Ų | 77 | 101.9 Ų | 101.9 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.7 | -39 | 174.4 | -82.5 | -43.7 | 0 | 0 | 0 | 112.3 | S58 K65 E66 | S58-D62 PolarHBondContact O-N 2.94Å; D62-K65 PolarHBondContact O-N 3.28Å; D62-K65 IonicContact OD1-NZ 2.6Å; D62-K65 PolarHBondContact OD1-NZ 3.26Å; D62-E66 PolarHBondContact O-N 3.12Å |
| 63 | L | 84.6 | Confident | 78 | Confident | 108 Ų | 108 | 96.8 Ų | 96.8 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.8 | -37.5 | 174.8 | -72.8 | 170 | 0 | 0 | 0 | 113.3 | E59 I60 G67 | E59-L63 HydrophobicContact CG-CD1 4.32Å; E59-L63 WeakPolarHBondContact O-CB 3.4Å; E59-L63 VanDerWaalsContact O-CG 3.22Å; E59-L63 WeakPolarHBondContact O-CG 3.49Å; E59-L63 PolarHBondContact O-N 3.14Å; I60-L63 PolarHBondContact O-N 3.46Å; L63-G67 PolarHBondContact O-N 3.1Å |
| 64 | E | 85 | Confident | 79.3 | Confident | 136 Ų | 136 | 96.3 Ų | 96.3 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.7 | -36.1 | 174 | -175.1 | 169.8 | -153.9 | 0 | 0 | 111.2 | I60 G67 T68 | I60-E64 WeakPolarHBondContact O-CB 3.22Å; I60-E64 PolarHBondContact O-N 3.19Å; E64-G67 PolarHBondContact O-N 3.46Å; E64-T68 WeakPolarHBondContact O-CB 3.36Å; E64-T68 WeakPolarHBondContact O-CG2 3.35Å; E64-T68 PolarHBondContact O-N 2.63Å; E64-T68 PolarHBondContact O-OG1 2.86Å |
| 65 | K | 83.4 | Confident | 80.3 | Confident | 109 Ų | 109 | 93.9 Ų | 93.9 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 174 | 175.6 | -179.6 | 128.3 | -139.9 | 0 | 112.3 | E61 D62 T68 M69 | E61-K65 WeakPolarHBondContact O-CB 3.4Å; E61-K65 PolarHBondContact O-N 3.16Å; D62-K65 PolarHBondContact O-N 3.28Å; D62-K65 IonicContact OD1-NZ 2.6Å; D62-K65 PolarHBondContact OD1-NZ 3.26Å; K65-T68 PolarHBondContact O-N 3.23Å; K65-T68 PolarHBondContact O-OG1 3.01Å; K65-M69 WeakPolarHBondContact O-CB 3.4Å; K65-M69 PolarHBondContact O-N 3.39Å |
| 66 | E | 84.3 | Confident | 81.3 | Confident | 48 Ų | 48 | 90.6 Ų | 90.6 | 22% | 0.224 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 170.7 | -77 | -170.7 | -153.8 | 0 | 0 | 111.2 | D62 T68 M69 L74 Y78 | D62-E66 PolarHBondContact O-N 3.12Å; E66-T68 PolarHBondContact O-N 2.89Å; E66-T68 VanDerWaalsContact O-N 3.1Å; E66-M69 PolarHBondContact O-N 2.93Å; E66-M69 VanDerWaalsContact O-N 3.12Å; E66-L74 HydrophobicContact CB-CD2 4.02Å; E66-L74 HydrophobicContact CG-CD2 4.1Å; E66-Y78 VanDerWaalsContact CD-OH 3.27Å; E66-Y78 PolarHBondContact OE1-OH 3.38Å; E66-Y78 PolarHBondContact OE2-OH 3.35Å |
| 67 | G | 80.8 | Confident | 81.7 | Confident | 69 Ų | 69 | 91.1 Ų | 91.1 | 71% | 0.711 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.9 | -15.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | L63 E64 | L63-G67 PolarHBondContact O-N 3.1Å; E64-G67 PolarHBondContact O-N 3.46Å |
| 68 | T | 82.6 | Confident | 81.9 | Confident | 109 Ų | 109 | 93.7 Ų | 93.7 | 67% | 0.669 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 0 | 176.9 | 52 | 0 | 0 | 0 | 0 | 114 | E64 K65 E66 | E64-T68 WeakPolarHBondContact O-CB 3.36Å; E64-T68 WeakPolarHBondContact O-CG2 3.35Å; E64-T68 PolarHBondContact O-N 2.63Å; E64-T68 PolarHBondContact O-OG1 2.86Å; K65-T68 PolarHBondContact O-N 3.23Å; K65-T68 PolarHBondContact O-OG1 3.01Å; E66-T68 PolarHBondContact O-N 2.89Å; E66-T68 VanDerWaalsContact O-N 3.1Å |
| 69 | M | 82.6 | Confident | 81.7 | Confident | 52 Ų | 52 | 93.6 Ų | 93.6 | 26% | 0.256 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -82.5 | 144.3 | -178.9 | -173.6 | 178.1 | -58.1 | 0 | 0 | 112.2 | K65 E66 D73 L74 | K65-M69 WeakPolarHBondContact O-CB 3.4Å; K65-M69 PolarHBondContact O-N 3.39Å; E66-M69 PolarHBondContact O-N 2.93Å; E66-M69 VanDerWaalsContact O-N 3.12Å; M69-D73 HydrophobicContact CG-CB 3.68Å; M69-D73 HydrophobicContact SD-CB 3.79Å; M69-L74 HydrophobicContact CB-CD1 4.38Å; M69-L74 HydrophobicContact CB-CD2 4.1Å; M69-L74 HydrophobicContact CB-CG 3.89Å; M69-L74 HydrophobicContact CG-CD2 4.36Å; M69-L74 HydrophobicContact CG-CG 4Å; M69-L74 HydrophobicContact SD-CD2 3.94Å; M69-L74 HydrophobicContact SD-CG 4.01Å |
| 70 | P | 84.9 | Confident | 81 | Confident | 76 Ų | 76 | 96.2 Ų | 96.2 | 49% | 0.494 | 51% | 0.512 | S | S | . | . | trans | -59.5 | 147.8 | 172.7 | -24.5 | 35.6 | 0 | 0 | 0 | 113.1 | E72 D73 L74 | P70-E72 PolarHBondContact O-N 2.9Å; P70-D73 WeakPolarHBondContact CG-OD2 3.16Å; P70-D73 PolarHBondContact O-N 2.6Å; P70-L74 PolarHBondContact O-N 2.69Å | ||
| 71 | L | 80.5 | Confident | 80.2 | Confident | 120 Ų | 120 | 99.4 Ų | 99.4 | 63% | 0.628 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -40 | -174.8 | -173.9 | 63 | 0 | 0 | 0 | 113.3 | D73 L74 L75 | L71-D73 VanDerWaalsContact C-N 3.33Å; L71-D73 PolarHBondContact O-N 3.11Å; L71-L74 PolarHBondContact O-N 2.94Å; L71-L75 HydrophobicContact CG-CD1 4.09Å; L71-L75 WeakPolarHBondContact O-CB 3.08Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.27Å; L71-L75 PolarHBondContact O-N 3.07Å |
| 72 | E | 82.6 | Confident | 78.5 | Confident | 121 Ų | 121 | 96 Ų | 96 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.6 | -40.9 | 172 | -98.7 | 70.2 | -161 | 0 | 0 | 113.3 | P70 L75 A76 P82 | P70-E72 PolarHBondContact O-N 2.9Å; E72-L75 PolarHBondContact O-N 3.43Å; E72-A76 WeakPolarHBondContact O-CB 3.32Å; E72-A76 PolarHBondContact O-N 3.27Å; E72-P82 HydrophobicContact CG-CG 4.26Å |
| 73 | D | 82.6 | Confident | 76.6 | Confident | 90 Ų | 90 | 99.1 Ų | 99.1 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.8 | -37.8 | -177.3 | -65 | -36.7 | 0 | 0 | 0 | 110.9 | M69 P70 L71 A76 F77 | M69-D73 HydrophobicContact CG-CB 3.68Å; M69-D73 HydrophobicContact SD-CB 3.79Å; P70-D73 WeakPolarHBondContact CG-OD2 3.16Å; P70-D73 PolarHBondContact O-N 2.6Å; L71-D73 VanDerWaalsContact C-N 3.33Å; L71-D73 PolarHBondContact O-N 3.11Å; D73-A76 PolarHBondContact O-N 3.33Å; D73-F77 WeakPolarHBondContact O-CB 3.24Å; D73-F77 PolarHBondContact O-N 2.87Å |
| 74 | L | 83.1 | Confident | 74.6 | Confident | 37 Ų | 37 | 100.9 Ų | 100.9 | 19% | 0.194 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 169.7 | -76.5 | 169 | 0 | 0 | 0 | 111.8 | E66 M69 P70 L71 A76 F77 Y78 | E66-L74 HydrophobicContact CB-CD2 4.02Å; E66-L74 HydrophobicContact CG-CD2 4.1Å; M69-L74 HydrophobicContact CB-CD1 4.38Å; M69-L74 HydrophobicContact CB-CD2 4.1Å; M69-L74 HydrophobicContact CB-CG 3.89Å; M69-L74 HydrophobicContact CG-CD2 4.36Å; M69-L74 HydrophobicContact CG-CG 4Å; M69-L74 HydrophobicContact SD-CD2 3.94Å; M69-L74 HydrophobicContact SD-CG 4.01Å; P70-L74 PolarHBondContact O-N 2.69Å; L71-L74 PolarHBondContact O-N 2.94Å; L74-A76 VanDerWaalsContact C-N 3.31Å; L74-A76 PolarHBondContact O-N 2.9Å; L74-F77 WeakPolarHBondContact O-CB 3.42Å; L74-F77 PolarHBondContact O-N 3.15Å; L74-Y78 HydrophobicContact CD2-CE2 4.4Å; L74-Y78 VanDerWaalsContact O-CD2 3.3Å; L74-Y78 WeakPolarHBondContact O-CD2 3.14Å; L74-Y78 PolarHBondContact O-N 3.47Å |
| 75 | L | 80 | Confident | 72.6 | Confident | 64 Ų | 64 | 100 Ų | 100 | 34% | 0.335 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.3 | -44 | 176.8 | -77.1 | 167.3 | 0 | 0 | 0 | 110.8 | L71 E72 F77 Y78 G79 Y80 | L71-L75 HydrophobicContact CG-CD1 4.09Å; L71-L75 WeakPolarHBondContact O-CB 3.08Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.27Å; L71-L75 PolarHBondContact O-N 3.07Å; E72-L75 PolarHBondContact O-N 3.43Å; L75-F77 PolarHBondContact O-N 2.69Å; L75-Y78 CarbonylContact O-C 3.27Å; L75-Y78 PolarHBondContact O-N 3.47Å; L75-G79 PolarHBondContact O-N 2.72Å; L75-G79 VanDerWaalsContact O-N 3.12Å; L75-Y80 CarbonylContact C-O 3.55Å; L75-Y80 HydrophobicContact CD2-CD2 4.44Å; L75-Y80 HydrophobicContact CD2-CG 4.14Å; L75-Y80 WeakPolarHBondContact O-CA 3.43Å; L75-Y80 WeakPolarHBondContact O-CB 3.39Å; L75-Y80 PolarHBondContact O-N 3.16Å |
| 76 | A | 81.9 | Confident | 70 | Confident | 56 Ų | 56 | 99.4 Ų | 99.4 | 46% | 0.463 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.1 | -40.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E72 D73 L74 Y78 G79 | E72-A76 WeakPolarHBondContact O-CB 3.32Å; E72-A76 PolarHBondContact O-N 3.27Å; D73-A76 PolarHBondContact O-N 3.33Å; L74-A76 VanDerWaalsContact C-N 3.31Å; L74-A76 PolarHBondContact O-N 2.9Å; A76-Y78 VanDerWaalsContact C-N 3.32Å; A76-Y78 PolarHBondContact O-N 2.89Å; A76-G79 PolarHBondContact O-N 3.02Å; A76-G79 VanDerWaalsContact O-N 3.14Å |
| 77 | F | 77.5 | Confident | 67.4 | Low | 141 Ų | 141 | 104 Ų | 104 | 62% | 0.618 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.9 | -39.2 | 176.7 | -164 | -102 | 0 | 0 | 0 | 112.2 | D73 L74 L75 G79 | D73-F77 WeakPolarHBondContact O-CB 3.24Å; D73-F77 PolarHBondContact O-N 2.87Å; L74-F77 WeakPolarHBondContact O-CB 3.42Å; L74-F77 PolarHBondContact O-N 3.15Å; L75-F77 PolarHBondContact O-N 2.69Å; F77-G79 VanDerWaalsContact C-N 3.31Å; F77-G79 PolarHBondContact O-N 2.8Å |
| 78 | Y | 78.3 | Confident | 64.9 | Low | 137 Ų | 137 | 104.5 Ų | 104.5 | 54% | 0.537 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | 18.6 | 175.6 | -68.5 | -69.9 | 0 | 0 | 0 | 113.9 | E66 L74 L75 A76 Y80 | E66-Y78 VanDerWaalsContact CD-OH 3.27Å; E66-Y78 PolarHBondContact OE1-OH 3.38Å; E66-Y78 PolarHBondContact OE2-OH 3.35Å; L74-Y78 HydrophobicContact CD2-CE2 4.4Å; L74-Y78 VanDerWaalsContact O-CD2 3.3Å; L74-Y78 WeakPolarHBondContact O-CD2 3.14Å; L74-Y78 PolarHBondContact O-N 3.47Å; L75-Y78 CarbonylContact O-C 3.27Å; L75-Y78 PolarHBondContact O-N 3.47Å; A76-Y78 VanDerWaalsContact C-N 3.32Å; A76-Y78 PolarHBondContact O-N 2.89Å; Y78-Y80 WeakPolarHBondContact O-CD2 3.31Å; Y78-Y80 PolarHBondContact O-N 3.08Å |
| 79 | G | 71.1 | Confident | 62.3 | Low | 65 Ų | 65 | 107.1 Ų | 107.1 | 67% | 0.67 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.6 | 5.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | L75 A76 F77 E81 | L75-G79 PolarHBondContact O-N 2.72Å; L75-G79 VanDerWaalsContact O-N 3.12Å; A76-G79 PolarHBondContact O-N 3.02Å; A76-G79 VanDerWaalsContact O-N 3.14Å; F77-G79 VanDerWaalsContact C-N 3.31Å; F77-G79 PolarHBondContact O-N 2.8Å; G79-E81 PolarHBondContact O-N 3.31Å |
| 80 | Y | 65.8 | Low | 59.7 | Low | 167 Ų | 167 | 109.6 Ų | 109.6 | 66% | 0.655 | 63% | 0.627 | S | S | * | * | trans | -90.8 | 78.3 | 175.3 | -73.8 | -92.1 | 0 | 0 | 0 | 111.2 | L75 Y78 P82 | L75-Y80 CarbonylContact C-O 3.55Å; L75-Y80 HydrophobicContact CD2-CD2 4.44Å; L75-Y80 HydrophobicContact CD2-CG 4.14Å; L75-Y80 WeakPolarHBondContact O-CA 3.43Å; L75-Y80 WeakPolarHBondContact O-CB 3.39Å; L75-Y80 PolarHBondContact O-N 3.16Å; Y78-Y80 WeakPolarHBondContact O-CD2 3.31Å; Y78-Y80 PolarHBondContact O-N 3.08Å; Y80-P82 WeakPolarHBondContact O-CD 3.48Å | ||
| 81 | E | 64.2 | Low | 57.1 | Low | 170 Ų | 170 | 111 Ų | 111 | 79% | 0.794 | 64% | 0.638 | S | S | * | * | trans | -69.2 | 124.2 | 175.6 | -168.1 | 173.5 | -159.5 | 0 | 0 | 111.6 | G79 T83 | G79-E81 PolarHBondContact O-N 3.31Å; E81-T83 PolarHBondContact O-N 3.39Å | ||
| 82 | P | 49.6 | Very low | 54.9 | Low | 65 Ų | 65 | 109.2 Ų | 109.2 | 42% | 0.422 | 64% | 0.642 | S | S | . | * | trans | -64.9 | 117.9 | -175.8 | -24.7 | 35 | 0 | 0 | 0 | 113.6 | E72 Y80 I84 | E72-P82 HydrophobicContact CG-CG 4.26Å; Y80-P82 WeakPolarHBondContact O-CD 3.48Å; P82-I84 PolarHBondContact O-N 2.62Å | ||
| 83 | T | 43.9 | Very low | 52.3 | Low | 142 Ų | 142 | 110.5 Ų | 110.5 | 87% | 0.871 | 65% | 0.652 | S | S | * | * | trans | -77.8 | 83.3 | -178.4 | -24 | 0 | 0 | 0 | 0 | 111.7 | E81 P85 | E81-T83 PolarHBondContact O-N 3.39Å; T83-P85 WeakPolarHBondContact O-CD 3.36Å | ||
| 84 | I | 42.7 | Very low | 49.9 | Very low | 144 Ų | 144 | 111.7 Ų | 111.7 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | trans | -61.9 | 121.4 | -177.6 | -61.1 | 170.7 | 0 | 0 | 0 | 111.1 | P82 A86 | P82-I84 PolarHBondContact O-N 2.62Å; I84-A86 PolarHBondContact O-N 2.94Å | ||
| 85 | P | 41.9 | Very low | 47.4 | Very low | 119 Ų | 119 | 115.4 Ų | 115.4 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | trans | -80.7 | 81.6 | -175.2 | 32.2 | -35.8 | 0 | 0 | 0 | 112.8 | T83 V87 | T83-P85 WeakPolarHBondContact O-CD 3.36Å; P85-V87 PolarHBondContact O-N 2.96Å | ||
| 86 | A | 28.8 | Very low | 45.8 | Very low | 96 Ų | 96 | 118.2 Ų | 118.2 | 79% | 0.793 | 72% | 0.719 | S | S | * | * | trans | -83.6 | 84.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I84 | I84-A86 PolarHBondContact O-N 2.94Š| ||
| 87 | V | 30.9 | Very low | 43.2 | Very low | 143 Ų | 143 | 119.9 Ų | 119.9 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | trans | -114.5 | 90.3 | 172.5 | -169.6 | 0 | 0 | 0 | 0 | 111.5 | P85 | P85-V87 PolarHBondContact O-N 2.96Š| ||
| 88 | A | 28.4 | Very low | 41.1 | Very low | 81 Ų | 81 | 121 Ų | 121 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | trans | -150.3 | 77.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 89 | N | 27.1 | Very low | 39 | Very low | 164 Ų | 164 | 122 Ų | 122 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | 73.7 | 146.7 | 168 | -42.3 | -53.5 | 0 | 0 | 0 | 115.6 | ||||
| 90 | S | 29 | Very low | 37.3 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | cis | -148.6 | 146.4 | 16.8 | 53.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 91 | S | 29.4 | Very low | 35.9 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | 37.8 | 116.2 | 149.2 | 63.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 92 | A | 33.4 | Very low | 34.5 | Very low | 84 Ų | 84 | 123.5 Ų | 123.5 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | 51 | 118.5 | 124.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 93 | N | 29.5 | Very low | 34.2 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | -165.6 | 169.2 | 54.2 | -93.9 | -43.1 | 0 | 0 | 0 | 113.2 | |||||
| 94 | S | 31.3 | Very low | 34.2 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 57.1 | 109.9 | 152.5 | 51.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 95 | S | 30 | Very low | 33.8 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -67 | 177.7 | 146.6 | -27.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 96 | P | 47 | Very low | 33.4 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | cis | -135.4 | -162.9 | -0.7 | 43.2 | -25.4 | 0 | 0 | 0 | 114.3 | ||||
| 97 | S | 28.1 | Very low | 34 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | 94.6 | 144.2 | 159.8 | -156.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 98 | E | 32.4 | Very low | 34.7 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 60 | 144.4 | 167.3 | -72.1 | 145.8 | 120.2 | 0 | 0 | 117 | ||||
| 99 | L | 34.1 | Very low | 35.5 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | cis | -130.9 | 139.7 | 15.3 | -66.5 | 158.5 | 0 | 0 | 0 | 111.2 | ||||
| 100 | A | 35 | Very low | 36.6 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -157.4 | 35.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 101 | D | 36.9 | Very low | 37.8 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -92.6 | 152 | 160.2 | -57.1 | -59.1 | 0 | 0 | 0 | 108.1 | ||||
| 102 | E | 35.7 | Very low | 38.8 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | cis | -129.4 | 135.9 | 13 | -57.2 | 170.6 | 122.4 | 0 | 0 | 111.7 | ||||
| 103 | L | 42.2 | Very low | 39.6 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -142.5 | 133.3 | 148.4 | -77.7 | -178.6 | 0 | 0 | 0 | 107.9 | ||||
| 104 | P | 43.8 | Very low | 40.2 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -75.3 | 129.4 | -172.8 | 29 | -34.1 | 0 | 0 | 0 | 112.4 | ||||
| 105 | D | 35.6 | Very low | 41 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | -74.7 | 143.4 | 171.6 | -169.7 | 5.1 | 0 | 0 | 0 | 111.2 | T107 | D105-T107 PolarHBondContact OD1-N 2.88Š| ||
| 106 | M | 32.9 | Very low | 41.7 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 77% | 0.768 | 78% | 0.778 | S | S | * | * | trans | -138.5 | 65.2 | 171.8 | -79 | -147.5 | 70.8 | 0 | 0 | 110.6 | L108 | M106-L108 PolarHBondContact O-N 3.32Š| ||
| 107 | T | 42.6 | Very low | 41.7 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 61% | 0.607 | 78% | 0.779 | S | S | * | * | trans | -53.7 | 121.4 | 161.5 | 53.1 | 0 | 0 | 0 | 0 | 110.8 | D105 | D105-T107 PolarHBondContact OD1-N 2.88Š| ||
| 108 | L | 44 | Very low | 42.4 | Very low | 150 Ų | 150 | 149.8 Ų | 149.8 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -118.4 | 114.7 | 162.4 | -68.5 | 178.7 | 0 | 0 | 0 | 108.4 | M106 K110 | M106-L108 PolarHBondContact O-N 3.32Å; L108-K110 PolarHBondContact O-N 2.78Å | ||
| 109 | D | 45.1 | Very low | 42.6 | Very low | 149 Ų | 149 | 147.4 Ų | 147.4 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -67 | 126.5 | -171.6 | -66.7 | -62.5 | 0 | 0 | 0 | 112.4 | E111 | D109-E111 VanDerWaalsContact C-N 3.27Å; D109-E111 PolarHBondContact O-N 3.18Å; D109-E111 VanDerWaalsContact O-N 3.15Å | ||
| 110 | K | 51.8 | Low | 42.7 | Very low | 207 Ų | 207 | 143.5 Ų | 143.5 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 17.9 | -166 | -159.3 | 169.7 | 176.7 | 174.4 | 0 | 114.6 | L108 | L108-K110 PolarHBondContact O-N 2.78Š|
| 111 | E | 53.8 | Low | 42.8 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | 0.3 | -158.9 | -62.3 | -171.1 | 166.5 | 0 | 0 | 116.3 | D109 K115 | D109-E111 VanDerWaalsContact C-N 3.27Å; D109-E111 PolarHBondContact O-N 3.18Å; D109-E111 VanDerWaalsContact O-N 3.15Å; E111-K115 PolarHBondContact O-NZ 3.27Å |
| 112 | E | 49.3 | Very low | 43 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -99.8 | -30.8 | -178 | -159.5 | 158 | -131.1 | 0 | 0 | 114.5 | A114 | E112-A114 PolarHBondContact O-N 3.47Š|
| 113 | I | 50.3 | Low | 43.5 | Very low | 151 Ų | 151 | 146 Ų | 146 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -68.6 | -30.9 | -174.3 | -60.3 | 175.4 | 0 | 0 | 0 | 113.3 | K115 | I113-K115 PolarHBondContact O-N 3.44Š|
| 114 | A | 42.1 | Very low | 43.5 | Very low | 91 Ų | 91 | 146 Ų | 146 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -77.6 | 23.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | E112 | E112-A114 PolarHBondContact O-N 3.47Š|
| 115 | K | 48 | Very low | 43.3 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -129.9 | -17.8 | -174.5 | -69.8 | 172.9 | -171.8 | 124.1 | 0 | 115.5 | E111 I113 | E111-K115 PolarHBondContact O-NZ 3.27Å; I113-K115 PolarHBondContact O-N 3.44Å |
| 116 | D | 44.4 | Very low | 43.4 | Very low | 150 Ų | 150 | 150 Ų | 150 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -0.2 | -174.3 | -106.5 | 26 | 0 | 0 | 0 | 114.7 | ||
| 117 | L | 46.8 | Very low | 43.5 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 11.5 | -177.1 | -61.9 | -179.8 | 0 | 0 | 0 | 114.6 | ||
| 118 | L | 43.3 | Very low | 43.5 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -125.5 | 58 | -179.9 | -69.9 | 178.4 | 0 | 0 | 0 | 112.8 | ||
| 119 | S | 37.9 | Very low | 43.2 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -152.9 | 110.7 | 163.4 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 120 | G | 34.6 | Very low | 43 | Very low | 77 Ų | 77 | 145.8 Ų | 145.8 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 173.4 | 98.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 121 | D | 37.8 | Very low | 42.4 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | 37.3 | 107.9 | 160.3 | -79.2 | 11 | 0 | 0 | 0 | 120.7 | ||||
| 122 | D | 40.2 | Very low | 41.6 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -85.3 | 113.9 | 152.3 | 49.9 | -53 | 0 | 0 | 0 | 111.7 | ||||
| 123 | E | 46.9 | Very low | 41.2 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -140.9 | 153.2 | 168.6 | -96.2 | -61.9 | 177.4 | 0 | 0 | 113.2 | ||||
| 124 | E | 42.8 | Very low | 41 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -85.1 | 148.2 | -164.5 | -57.7 | -171.9 | 125.7 | 0 | 0 | 114.6 | ||||
| 125 | T | 39.2 | Very low | 40.7 | Very low | 147 Ų | 147 | 140 Ų | 140 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -156.3 | 114.5 | 138.8 | -7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 126 | Q | 37.9 | Very low | 40 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -84.5 | 142.3 | 165.5 | -65.1 | -165.7 | -14.2 | 0 | 0 | 111 | ||||
| 127 | S | 34.4 | Very low | 39.6 | Very low | 126 Ų | 126 | 138 Ų | 138 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | trans | -150.6 | 160.7 | 155.9 | -159.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 128 | S | 43 | Very low | 39.1 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -141.4 | -175.7 | -163 | 61.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 129 | A | 38 | Very low | 38.7 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | 79.1 | 115.7 | -164.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 130 | D | 40.6 | Very low | 38.6 | Very low | 136 Ų | 136 | 140 Ų | 140 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | 62.9 | 97.8 | 18.4 | -163.2 | 35.5 | 0 | 0 | 0 | 114.5 | ||||
| 131 | D | 38.8 | Very low | 39 | Very low | 165 Ų | 165 | 143 Ų | 143 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -146.4 | 133.8 | 153.7 | -158.3 | -2.2 | 0 | 0 | 0 | 108.8 | ||||
| 132 | L | 37.6 | Very low | 39 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | trans | -112 | 138.9 | -164 | -68.6 | 170.8 | 0 | 0 | 0 | 112.2 | ||||
| 133 | T | 40.8 | Very low | 39.1 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -130.7 | 116.2 | 156.1 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 134 | P | 46.9 | Very low | 38.6 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -98 | 144 | 178.5 | 35.2 | -31.8 | 0 | 0 | 0 | 112 | ||||
| 135 | S | 35.6 | Very low | 38.5 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | 172.7 | 112.1 | 117.1 | -76.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 136 | V | 32.2 | Very low | 38.7 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | 45.4 | 141.7 | 129 | -146.7 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 137 | T | 35.8 | Very low | 38.9 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | 78.9 | 134.7 | 171.7 | 74.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 138 | S | 36.4 | Very low | 39.2 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | cis | -127.5 | 138.3 | 5.8 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 139 | H | 35.1 | Very low | 39.1 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -82.7 | 168 | 162.5 | -110.5 | -99.9 | 0 | 0 | 0 | 110.8 | ||||
| 140 | E | 36.6 | Very low | 39 | Very low | 175 Ų | 175 | 151.1 Ų | 151.1 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 68.7 | 85.3 | 151 | -157.8 | 174 | 132.4 | 0 | 0 | 117.6 | ||||
| 141 | T | 42.1 | Very low | 38.8 | Very low | 139 Ų | 139 | 149.7 Ų | 149.7 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | -176.4 | 102.5 | 113 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 142 | S | 38.2 | Very low | 38.6 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -144.9 | -18.3 | 169.8 | 52.7 | 0 | 0 | 0 | 0 | 115 | F144 | S142-F144 PolarHBondContact O-N 3.27Š| ||
| 143 | D | 41.4 | Very low | 38.5 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 56.7 | -174.5 | -56.5 | -44.2 | 0 | 0 | 0 | 113 | ||
| 144 | F | 38 | Very low | 38.4 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | -3.9 | 179 | -121.6 | -89.1 | 0 | 0 | 0 | 115.4 | S142 | S142-F144 PolarHBondContact O-N 3.27Š|
| 145 | F | 40.1 | Very low | 37.8 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -142.7 | 90 | 175.7 | -67.1 | -72.9 | 0 | 0 | 0 | 112.5 | R147 | F145-R147 PolarHBondContact O-N 2.96Š| ||
| 146 | P | 43.5 | Very low | 37.9 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 124.4 | 163 | 27 | -33 | 0 | 0 | 0 | 109.2 | ||
| 147 | R | 42.8 | Very low | 38 | Very low | 230 Ų | 230 | 148.3 Ų | 148.3 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69 | 137.3 | -174.7 | -54.9 | -175.5 | -155.7 | -178 | 8.4 | 110.6 | F145 | F145-R147 PolarHBondContact O-N 2.96Š|
| 148 | P | 38.8 | Very low | 38.1 | Very low | 128 Ų | 128 | 149 Ų | 149 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 144.9 | 171.3 | -28.1 | 36.4 | 0 | 0 | 0 | 113.1 | ||
| 149 | L | 41.5 | Very low | 38.5 | Very low | 148 Ų | 148 | 153 Ų | 153 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 134.7 | -170.3 | -63.5 | 162.4 | 0 | 0 | 0 | 112.7 | ||
| 150 | R | 36.5 | Very low | 38.9 | Very low | 237 Ų | 237 | 153.3 Ų | 153.3 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 134.5 | 145.3 | -83.4 | -172.3 | 169.8 | -178.2 | -3.6 | 108.6 | ||
| 151 | S | 36.3 | Very low | 39 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 118.9 | 174.3 | 48.7 | 0 | 0 | 0 | 0 | 110 | T153 | S151-T153 PolarHBondContact O-N 3.17Š|
| 152 | N | 35.2 | Very low | 39.1 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | -77.4 | 99.3 | 174.6 | -64.4 | 5.2 | 0 | 0 | 0 | 109.3 | ||||
| 153 | T | 35.3 | Very low | 39.3 | Very low | 115 Ų | 115 | 154.2 Ų | 154.2 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | trans | -79.8 | 115.4 | 159.9 | 48.8 | 0 | 0 | 0 | 0 | 108.2 | S151 C155 | S151-T153 PolarHBondContact O-N 3.17Å; T153-C155 PolarHBondContact O-N 2.81Å | ||
| 154 | T | 38.6 | Very low | 39.2 | Very low | 143 Ų | 143 | 155.3 Ų | 155.3 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -72.6 | 94.6 | 174.1 | 45.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 155 | C | 34.2 | Very low | 39.2 | Very low | 117 Ų | 117 | 153.9 Ų | 153.9 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -93.6 | 113.6 | 156.3 | -59.2 | 0 | 0 | 0 | 0 | 106.8 | T153 | T153-C155 PolarHBondContact O-N 2.81Š| ||
| 156 | D | 37 | Very low | 39.5 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -76.7 | 161.3 | 175.4 | -162.6 | 3.7 | 0 | 0 | 0 | 110.7 | ||||
| 157 | G | 34 | Very low | 39.8 | Very low | 61 Ų | 61 | 152.1 Ų | 152.1 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | trans | 125.7 | 101.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 158 | D | 39.1 | Very low | 39.9 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | 45 | 90.6 | 155.4 | -63 | -8.9 | 0 | 0 | 0 | 119.2 | ||||
| 159 | K | 43.8 | Very low | 40.4 | Very low | 199 Ų | 199 | 147.2 Ų | 147.2 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | -138.7 | 112.8 | 120.5 | -71.2 | -162.4 | 178.8 | 165 | 0 | 112.1 | S161 | K159-S161 PolarHBondContact O-N 3.29Š| |||
| 160 | E | 42.9 | Very low | 40.5 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -59.7 | 127.7 | 159.5 | 64.8 | -140.7 | 126.1 | 0 | 0 | 110.8 | ||||
| 161 | S | 39.3 | Very low | 40.9 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -154 | 104.3 | 160.9 | 64 | 0 | 0 | 0 | 0 | 109.1 | K159 V163 | K159-S161 PolarHBondContact O-N 3.29Å; S161-V163 PolarHBondContact O-N 2.99Å | ||
| 162 | E | 43.9 | Very low | 41.3 | Very low | 207 Ų | 207 | 138.2 Ų | 138.2 | 97% | 0.967 | 78% | 0.781 | S | S | * | * | trans | -60.5 | 125.1 | 176 | -61.8 | 164 | 119.1 | 0 | 0 | 110.2 | ||||
| 163 | V | 43.2 | Very low | 41.9 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | -146.4 | 122.1 | 165.1 | 49.1 | 0 | 0 | 0 | 0 | 106 | S161 | S161-V163 PolarHBondContact O-N 2.99Š| ||
| 164 | E | 38.3 | Very low | 42.8 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | -67.6 | 145.6 | -169 | -70.7 | -169.4 | 152.3 | 0 | 0 | 113.1 | V166 | E164-V166 PolarHBondContact O-N 3.07Å; E164-V166 VanDerWaalsContact O-N 3.13Å | ||
| 165 | D | 38.8 | Very low | 43.6 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | -80.6 | 88.5 | -179.6 | -166.6 | 8.9 | 0 | 0 | 0 | 110.6 | E167 | D165-E167 PolarHBondContact O-N 3.47Š| ||
| 166 | V | 45.8 | Very low | 44.8 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | trans | -94.1 | 84.1 | 171.4 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | E164 T168 | E164-V166 PolarHBondContact O-N 3.07Å; E164-V166 VanDerWaalsContact O-N 3.13Å; V166-T168 PolarHBondContact O-N 3.07Å; V166-T168 PolarHBondContact O-OG1 3.21Å; V166-T168 VanDerWaalsContact O-OG1 3.09Å | ||
| 167 | E | 49.7 | Very low | 45.8 | Very low | 163 Ų | 163 | 130 Ų | 130 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | trans | -40.2 | 106 | 169.8 | -88.1 | -80.6 | -147.2 | 0 | 0 | 111.6 | D165 | D165-E167 PolarHBondContact O-N 3.47Š| ||
| 168 | T | 44.8 | Very low | 47.3 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | trans | -123.9 | 97.3 | 175.3 | -57.9 | 0 | 0 | 0 | 0 | 107.8 | V166 S170 | V166-T168 PolarHBondContact O-N 3.07Å; V166-T168 PolarHBondContact O-OG1 3.21Å; V166-T168 VanDerWaalsContact O-OG1 3.09Å; T168-S170 VanDerWaalsContact C-N 3.29Å; T168-S170 PolarHBondContact O-N 3.15Å | ||
| 169 | D | 49.9 | Very low | 49.3 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | -56.7 | 88.1 | 176.8 | 178 | 21.3 | 0 | 0 | 0 | 111.3 | ||||
| 170 | S | 43.3 | Very low | 51.3 | Low | 83 Ų | 83 | 129.9 Ų | 129.9 | 58% | 0.58 | 70% | 0.696 | S | S | * | * | trans | -109.8 | 92.9 | 166.9 | -67.2 | 0 | 0 | 0 | 0 | 106.5 | T168 N172 | T168-S170 VanDerWaalsContact C-N 3.29Å; T168-S170 PolarHBondContact O-N 3.15Å; S170-N172 VanDerWaalsContact C-N 3.33Å; S170-N172 PolarHBondContact O-N 2.57Å | ||
| 171 | G | 45.8 | Very low | 53.6 | Low | 70 Ų | 70 | 127.8 Ų | 127.8 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | trans | -57.2 | 85.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S173 | G171-S173 PolarHBondContact O-N 2.75Š| ||
| 172 | N | 44.1 | Very low | 56.2 | Low | 151 Ų | 151 | 127.7 Ų | 127.7 | 81% | 0.807 | 68% | 0.68 | S | S | * | * | trans | -61.7 | 106.9 | 166 | -72.8 | -57.7 | 0 | 0 | 0 | 108.1 | S170 | S170-N172 VanDerWaalsContact C-N 3.33Å; S170-N172 PolarHBondContact O-N 2.57Å | ||
| 173 | S | 47.8 | Very low | 58.5 | Low | 52 Ų | 52 | 123.7 Ų | 123.7 | 36% | 0.364 | 66% | 0.664 | S | S | . | * | trans | -57.6 | 133.5 | 178.7 | -176 | 0 | 0 | 0 | 0 | 109.9 | G171 E175 D176 | G171-S173 PolarHBondContact O-N 2.75Å; S173-E175 PolarHBondContact O-N 2.89Å; S173-D176 PolarHBondContact O-N 3.27Å | ||
| 174 | P | 54.9 | Low | 60.8 | Low | 83 Ų | 83 | 118.4 Ų | 118.4 | 54% | 0.539 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | -4.5 | 179 | 28.3 | -35.4 | 0 | 0 | 0 | 113.4 | R178 | P174-R178 PolarHBondContact O-NH2 3.3Š|
| 175 | E | 55.8 | Low | 63.4 | Low | 101 Ų | 101 | 118 Ų | 118 | 47% | 0.472 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73 | -34.1 | 167.1 | -87.3 | 47 | -112.9 | 0 | 0 | 113.8 | S173 L177 R178 | S173-E175 PolarHBondContact O-N 2.89Å; E175-L177 VanDerWaalsContact C-N 3.3Å; E175-L177 PolarHBondContact O-N 3.12Å; E175-R178 WeakPolarHBondContact O-CA 3.48Å; E175-R178 WeakPolarHBondContact O-CB 3.28Å; E175-R178 WeakPolarHBondContact O-CG 3.42Å; E175-R178 PolarHBondContact O-N 2.74Å; E175-R178 IonicContact OE1-CZ 3.4Å; E175-R178 IonicContact OE1-NE 3.5Å; E175-R178 PolarHBondContact OE1-NE 2.74Å; E175-R178 IonicContact OE1-NH2 2.69Å; E175-R178 PolarHBondContact OE1-NH2 3.17Å |
| 176 | D | 58.2 | Low | 66 | Low | 131 Ų | 131 | 117.6 Ų | 117.6 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -17.7 | -172.9 | -75.4 | -41.7 | 0 | 0 | 0 | 114 | S173 R178 | S173-D176 PolarHBondContact O-N 3.27Å; D176-R178 PolarHBondContact O-N 3.41Å |
| 177 | L | 58.6 | Low | 68.3 | Low | 161 Ų | 161 | 118 Ų | 118 | 84% | 0.843 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -12.2 | 166.7 | -66.4 | 176.7 | 0 | 0 | 0 | 112.4 | E175 K179 | E175-L177 VanDerWaalsContact C-N 3.3Å; E175-L177 PolarHBondContact O-N 3.12Å; L177-K179 PolarHBondContact O-N 3.33Å |
| 178 | R | 66.4 | Low | 70.5 | Confident | 130 Ų | 130 | 114.6 Ų | 114.6 | 49% | 0.491 | 61% | 0.606 | S | S | . | * | trans | -83.2 | 91.3 | 175.4 | -49.5 | -174.3 | -159.5 | -53.6 | -6.6 | 109.8 | P174 E175 D176 E180 | P174-R178 PolarHBondContact O-NH2 3.3Å; E175-R178 WeakPolarHBondContact O-CA 3.48Å; E175-R178 WeakPolarHBondContact O-CB 3.28Å; E175-R178 WeakPolarHBondContact O-CG 3.42Å; E175-R178 PolarHBondContact O-N 2.74Å; E175-R178 IonicContact OE1-CZ 3.4Å; E175-R178 IonicContact OE1-NE 3.5Å; E175-R178 PolarHBondContact OE1-NE 2.74Å; E175-R178 IonicContact OE1-NH2 2.69Å; E175-R178 PolarHBondContact OE1-NH2 3.17Å; D176-R178 PolarHBondContact O-N 3.41Å; R178-E180 PolarHBondContact O-N 3.05Å | ||
| 179 | K | 79.5 | Confident | 72.9 | Confident | 182 Ų | 182 | 114 Ų | 114 | 79% | 0.791 | 61% | 0.612 | S | S | * | * | trans | -68.9 | 66.8 | 163.3 | -65.7 | 174.2 | -178.3 | 171.9 | 0 | 110.1 | L177 | L177-K179 PolarHBondContact O-N 3.33Š| ||
| 180 | E | 85.6 | Confident | 75 | Confident | 98 Ų | 98 | 115.4 Ų | 115.4 | 46% | 0.458 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 137.7 | -179.4 | -166.4 | 158.8 | -178.5 | 0 | 0 | 109.9 | R178 M182 R486 | R178-E180 PolarHBondContact O-N 3.05Å; E180-M182 PolarHBondContact O-N 2.93Å; E180-R486 IonicContact OE1-CZ 3.56Å; E180-R486 IonicContact OE1-NE 3.12Å; E180-R486 PolarHBondContact OE1-NE 3.01Å; E180-R486 VanDerWaalsContact OE1-NE 3.12Å; E180-R486 IonicContact OE1-NH2 3.1Å; E180-R486 PolarHBondContact OE1-NH2 2.95Å; E180-R486 VanDerWaalsContact OE1-NH2 3.1Å; E180-R486 IonicContact OE2-CZ 3.97Å; E180-R486 IonicContact OE2-NH2 2.89Å; E180-R486 PolarHBondContact OE2-NH2 3.37Å |
| 181 | I | 91.6 | Very high | 77.3 | Confident | 148 Ų | 148 | 118.7 Ų | 118.7 | 76% | 0.759 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 120.7 | -179.5 | -62.3 | 174.5 | 0 | 0 | 0 | 108.6 | ||
| 182 | M | 93.2 | Very high | 79.4 | Confident | 98 Ų | 98 | 120.3 Ų | 120.3 | 48% | 0.483 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -80 | 135.2 | -175 | -57.5 | -56.6 | -72.9 | 0 | 0 | 112.3 | E180 Y187 Q188 | E180-M182 PolarHBondContact O-N 2.93Å; M182-Y187 HydrophobicContact CB-CD1 3.6Å; M182-Y187 HydrophobicContact CB-CD2 3.55Å; M182-Y187 HydrophobicContact CB-CE1 3.74Å; M182-Y187 HydrophobicContact CB-CE2 3.68Å; M182-Y187 HydrophobicContact CB-CG 3.5Å; M182-Y187 HydrophobicContact CE-CE2 3.94Å; M182-Y187 WeakPolarHBondContact CE-OH 3.37Å; M182-Y187 HydrophobicContact CG-CD1 4.32Å; M182-Y187 HydrophobicContact CG-CE1 4.05Å; M182-Y187 HydrophobicContact CG-CE2 4.43Å; M182-Q188 PolarHBondContact O-NE2 3.37Å; M182-Q188 VanDerWaalsContact O-NE2 3.07Å |
| 183 | I | 93 | Very high | 81.4 | Confident | 122 Ų | 122 | 118.1 Ų | 118.1 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | trans | -124.9 | 126.5 | -177.1 | -59.7 | 174.2 | 0 | 0 | 0 | 109.5 | ||||
| 184 | G | 92.6 | Very high | 83.1 | Confident | 21 Ų | 21 | 125.3 Ų | 125.3 | 22% | 0.216 | 64% | 0.635 | C | S | . | * | S | Bend | trans | 155.6 | 160.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q186 Y187 Q188 | G184-Q186 VanDerWaalsContact C-OE1 3.26Å; G184-Q186 PolarHBondContact O-N 2.98Å; G184-Q186 VanDerWaalsContact O-N 3.11Å; G184-Y187 PolarHBondContact O-N 3.13Å; G184-Q188 PolarHBondContact O-N 3.06Å; G184-Q188 PolarHBondContact O-OE1 3.18Å |
| 185 | L | 92.2 | Very high | 84.2 | Confident | 171 Ų | 171 | 127.7 Ų | 127.7 | 90% | 0.895 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -15.7 | -179.5 | -63.7 | 174.2 | 0 | 0 | 0 | 113.6 | Y187 | L185-Y187 VanDerWaalsContact C-N 3.33Š|
| 186 | Q | 93.1 | Very high | 85.3 | Confident | 139 Ų | 139 | 124.4 Ų | 124.4 | 65% | 0.65 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 0.1 | 172.3 | 75 | -80.5 | 28.9 | 0 | 0 | 113.9 | G184 | G184-Q186 VanDerWaalsContact C-OE1 3.26Å; G184-Q186 PolarHBondContact O-N 2.98Å; G184-Q186 VanDerWaalsContact O-N 3.11Å |
| 187 | Y | 94.2 | Very high | 86.2 | Confident | 120 Ų | 120 | 127 Ų | 127 | 47% | 0.471 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.4 | -33.7 | -178.4 | -56.4 | -65.6 | 0 | 0 | 0 | 113.3 | M182 G184 L185 | M182-Y187 HydrophobicContact CB-CD1 3.6Å; M182-Y187 HydrophobicContact CB-CD2 3.55Å; M182-Y187 HydrophobicContact CB-CE1 3.74Å; M182-Y187 HydrophobicContact CB-CE2 3.68Å; M182-Y187 HydrophobicContact CB-CG 3.5Å; M182-Y187 HydrophobicContact CE-CE2 3.94Å; M182-Y187 WeakPolarHBondContact CE-OH 3.37Å; M182-Y187 HydrophobicContact CG-CD1 4.32Å; M182-Y187 HydrophobicContact CG-CE1 4.05Å; M182-Y187 HydrophobicContact CG-CE2 4.43Å; G184-Y187 PolarHBondContact O-N 3.13Å; L185-Y187 VanDerWaalsContact C-N 3.33Å |
| 188 | Q | 96.3 | Very high | 86.6 | Confident | 90 Ų | 90 | 126 Ų | 126 | 42% | 0.421 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -85 | 137.6 | 170.8 | -81.3 | 69.9 | 78.5 | 0 | 0 | 110.2 | M182 G184 | M182-Q188 PolarHBondContact O-NE2 3.37Å; M182-Q188 VanDerWaalsContact O-NE2 3.07Å; G184-Q188 PolarHBondContact O-N 3.06Å; G184-Q188 PolarHBondContact O-OE1 3.18Å |
| 189 | A | 95.8 | Very high | 86.7 | Confident | 90 Ų | 90 | 122.5 Ų | 122.5 | 74% | 0.744 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 148.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 190 | E | 94 | Very high | 85.9 | Confident | 183 Ų | 183 | 118.3 Ų | 118.3 | 86% | 0.855 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 131.6 | 166.9 | -174.6 | 169.3 | -170.9 | 0 | 0 | 109.3 | P192 | E190-P192 WeakPolarHBondContact O-CD 3.48Š|
| 191 | I | 91.4 | Very high | 84.7 | Confident | 152 Ų | 152 | 119.9 Ų | 119.9 | 78% | 0.779 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 118.9 | 178.9 | -60.1 | 173.8 | 0 | 0 | 0 | 107.5 | ||
| 192 | P | 89.4 | Confident | 83.2 | Confident | 104 Ų | 104 | 118.2 Ų | 118.2 | 68% | 0.675 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 140.2 | 179 | -24.7 | 35.2 | 0 | 0 | 0 | 111.4 | E190 | E190-P192 WeakPolarHBondContact O-CD 3.48Š|
| 193 | P | 85.3 | Confident | 81.6 | Confident | 104 Ų | 104 | 119.7 Ų | 119.7 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 144.3 | 175.7 | 27.7 | -34.7 | 0 | 0 | 0 | 110.3 | L195 | P193-L195 PolarHBondContact O-N 3.4Å; P193-L195 VanDerWaalsContact O-N 3.16Å |
| 194 | Y | 83.9 | Confident | 80.1 | Confident | 204 Ų | 204 | 117.3 Ų | 117.3 | 80% | 0.8 | 63% | 0.633 | S | S | * | * | trans | -67.7 | 113 | 175.5 | 176.2 | -107.5 | 0 | 0 | 0 | 110.4 | ||||
| 195 | L | 79.1 | Confident | 78.7 | Confident | 133 Ų | 133 | 123.1 Ų | 123.1 | 70% | 0.696 | 65% | 0.649 | S | S | * | * | trans | -83.1 | -5.5 | -175.1 | -65.4 | 175.6 | 0 | 0 | 0 | 114.3 | P193 | P193-L195 PolarHBondContact O-N 3.4Å; P193-L195 VanDerWaalsContact O-N 3.16Å | ||
| 196 | G | 77.8 | Confident | 77.5 | Confident | 32 Ų | 32 | 121.1 Ų | 121.1 | 33% | 0.33 | 64% | 0.635 | S | S | . | * | trans | 85.8 | -157.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 197 | E | 76.4 | Confident | 76.4 | Confident | 186 Ų | 186 | 121.3 Ų | 121.3 | 87% | 0.869 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -71.6 | 131.9 | 160.4 | -67 | -177.4 | 161.1 | 0 | 0 | 108.5 | A199 | E197-A199 PolarHBondContact O-N 3.34Š|
| 198 | Y | 68.2 | Low | 75.5 | Confident | 138 Ų | 138 | 123 Ų | 123 | 54% | 0.541 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 129.9 | 172.4 | -68.7 | -81.2 | 0 | 0 | 0 | 109.8 | G200 V204 | Y198-G200 PolarHBondContact O-N 3.21Å; Y198-V204 HydrophobicContact CD1-CG2 4.45Å; Y198-V204 HydrophobicContact CE1-CG2 4.02Å |
| 199 | A | 67.3 | Low | 74.9 | Confident | 57 Ų | 57 | 124.8 Ų | 124.8 | 47% | 0.471 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -56 | 130.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | E197 N201 E202 | E197-A199 PolarHBondContact O-N 3.34Å; A199-N201 WeakPolarHBondContact CB-OD1 3.18Å; A199-N201 PolarHBondContact O-N 3.38Å; A199-E202 PolarHBondContact O-N 2.92Å |
| 200 | G | 63.2 | Low | 74.4 | Confident | 94 Ų | 94 | 127 Ų | 127 | 97% | 0.969 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 13.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117 | Y198 | Y198-G200 PolarHBondContact O-N 3.21Š|
| 201 | N | 59.8 | Low | 74.1 | Confident | 131 Ų | 131 | 124.2 Ų | 124.2 | 70% | 0.701 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | -3.6 | 177.3 | 59.3 | -28.4 | 0 | 0 | 0 | 113.4 | A199 K203 | A199-N201 WeakPolarHBondContact CB-OD1 3.18Å; A199-N201 PolarHBondContact O-N 3.38Å; N201-K203 PolarHBondContact O-N 3.31Å; N201-K203 VanDerWaalsContact O-N 3.16Å |
| 202 | E | 60.8 | Low | 73.9 | Confident | 113 Ų | 113 | 121.6 Ų | 121.6 | 53% | 0.528 | 64% | 0.637 | S | S | . | * | trans | -84.6 | 84.2 | 178.2 | -171.2 | 168.5 | -147.5 | 0 | 0 | 111.2 | A199 V204 | A199-E202 PolarHBondContact O-N 2.92Å; E202-V204 HydrophobicContact CG-CG2 4.04Å; E202-V204 PolarHBondContact O-N 2.92Å; E202-V204 VanDerWaalsContact O-N 3.15Å | ||
| 203 | K | 60.5 | Low | 73.8 | Confident | 129 Ų | 129 | 121.3 Ų | 121.3 | 56% | 0.561 | 62% | 0.623 | S | S | * | * | trans | -89.2 | 73.1 | -177.5 | -62.4 | -176.3 | 179 | 179.6 | 0 | 112.1 | N201 Y205 E206 | N201-K203 PolarHBondContact O-N 3.31Å; N201-K203 VanDerWaalsContact O-N 3.16Å; K203-Y205 PolarHBondContact O-N 3.26Å; K203-Y205 VanDerWaalsContact O-N 3.08Å; K203-E206 HydrophobicContact CB-CB 4.17Å; K203-E206 HydrophobicContact CB-CG 4.35Å; K203-E206 HydrophobicContact CD-CG 4.13Å; K203-E206 VanDerWaalsContact CD-OE1 3.27Å; K203-E206 WeakPolarHBondContact CD-OE1 3.45Å; K203-E206 WeakPolarHBondContact CD-OE2 3.3Å; K203-E206 IonicContact NZ-OE1 2.72Å; K203-E206 PolarHBondContact NZ-OE1 3.12Å; K203-E206 IonicContact NZ-OE2 3.13Å; K203-E206 PolarHBondContact NZ-OE2 2.96Å; K203-E206 PolarHBondContact O-N 2.85Å | ||
| 204 | V | 61.5 | Low | 73.9 | Confident | 72 Ų | 72 | 118 Ų | 118 | 44% | 0.436 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -49.3 | -37.1 | -175.1 | -178.1 | 0 | 0 | 0 | 0 | 113.8 | Y198 E202 | Y198-V204 HydrophobicContact CD1-CG2 4.45Å; Y198-V204 HydrophobicContact CE1-CG2 4.02Å; E202-V204 HydrophobicContact CG-CG2 4.04Å; E202-V204 PolarHBondContact O-N 2.92Å; E202-V204 VanDerWaalsContact O-N 3.15Å |
| 205 | Y | 63.5 | Low | 73.9 | Confident | 143 Ų | 143 | 112.9 Ų | 112.9 | 56% | 0.561 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 1 | -169.3 | -57.7 | -78 | 0 | 0 | 0 | 115.4 | K203 N207 E208 | K203-Y205 PolarHBondContact O-N 3.26Å; K203-Y205 VanDerWaalsContact O-N 3.08Å; Y205-N207 PolarHBondContact O-N 3.26Å; Y205-E208 PolarHBondContact O-N 3.36Å |
| 206 | E | 65.9 | Low | 74.3 | Confident | 129 Ų | 129 | 114.1 Ų | 114.1 | 60% | 0.603 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -6.5 | -171.8 | -119.4 | -175.1 | -172.3 | 0 | 0 | 115.5 | K203 | K203-E206 HydrophobicContact CB-CB 4.17Å; K203-E206 HydrophobicContact CB-CG 4.35Å; K203-E206 HydrophobicContact CD-CG 4.13Å; K203-E206 VanDerWaalsContact CD-OE1 3.27Å; K203-E206 WeakPolarHBondContact CD-OE1 3.45Å; K203-E206 WeakPolarHBondContact CD-OE2 3.3Å; K203-E206 IonicContact NZ-OE1 2.72Å; K203-E206 PolarHBondContact NZ-OE1 3.12Å; K203-E206 IonicContact NZ-OE2 3.13Å; K203-E206 PolarHBondContact NZ-OE2 2.96Å; K203-E206 PolarHBondContact O-N 2.85Å |
| 207 | N | 69.9 | Low | 74.7 | Confident | 143 Ų | 143 | 116.5 Ų | 116.5 | 77% | 0.765 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -14.3 | -178.5 | -54.7 | -79 | 0 | 0 | 0 | 114 | Y205 | Y205-N207 PolarHBondContact O-N 3.26Š|
| 208 | E | 74.4 | Confident | 75.1 | Confident | 157 Ų | 157 | 108.1 Ų | 108.1 | 73% | 0.734 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -38.7 | -172.8 | -50.3 | -59.4 | 134.6 | 0 | 0 | 112.1 | Y205 | Y205-E208 PolarHBondContact O-N 3.36Š|
| 209 | D | 85.4 | Confident | 76.2 | Confident | 127 Ų | 127 | 107.1 Ų | 107.1 | 68% | 0.679 | 57% | 0.574 | S | S | * | * | trans | -101.9 | 132.8 | -172.6 | -71.4 | -45.6 | 0 | 0 | 0 | 113.2 | ||||
| 210 | Q | 85.3 | Confident | 77.1 | Confident | 137 Ų | 137 | 110.1 Ų | 110.1 | 64% | 0.64 | 58% | 0.578 | S | S | * | * | trans | -103 | 125.3 | 169.4 | -169.6 | 177 | 20.6 | 0 | 0 | 111.4 | L212 | Q210-L212 HydrophobicContact CG-CD2 4.08Å; Q210-L212 PolarHBondContact O-N 2.97Å; Q210-L212 VanDerWaalsContact O-N 3.12Å | ||
| 211 | L | 86.1 | Confident | 78.4 | Confident | 123 Ų | 123 | 109.4 Ų | 109.4 | 64% | 0.644 | 56% | 0.559 | S | S | * | * | trans | -72.7 | 101.5 | 175.5 | -178.2 | 60.2 | 0 | 0 | 0 | 111.3 | ||||
| 212 | L | 88.3 | Confident | 79.8 | Confident | 97 Ų | 97 | 108.2 Ų | 108.2 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | trans | -94.6 | -18.3 | -176.9 | -65 | 179.8 | 0 | 0 | 0 | 115.3 | Q210 Y257 L260 | Q210-L212 HydrophobicContact CG-CD2 4.08Å; Q210-L212 PolarHBondContact O-N 2.97Å; Q210-L212 VanDerWaalsContact O-N 3.12Å; L212-Y257 HydrophobicContact CD2-CD2 4.4Å; L212-Y257 HydrophobicContact CD2-CE2 4.18Å; L212-L260 HydrophobicContact CD2-CD2 4.04Å | ||
| 213 | W | 87.6 | Confident | 81.2 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 38% | 0.375 | 53% | 0.526 | S | S | . | . | trans | -155.1 | 146.7 | -179.5 | -172.9 | -103.8 | 0 | 0 | 0 | 112.6 | V223 L256 L259 | W213-V223 HydrophobicContact CH2-CG1 4.01Å; W213-V223 HydrophobicContact CH2-CG2 3.81Å; W213-V223 HydrophobicContact CZ2-CG2 4.15Å; W213-L256 HydrophobicContact CZ3-CD2 4.25Å; W213-L259 HydrophobicContact CZ3-CD2 4.37Å | ||
| 214 | C | 86.3 | Confident | 82.5 | Confident | 35 Ų | 35 | 102.1 Ų | 102.1 | 24% | 0.236 | 52% | 0.52 | C | S | . | . | trans | -134.3 | 116.5 | 172.6 | -66.4 | 0 | 0 | 0 | 0 | 110 | D216 V217 | C214-D216 VanDerWaalsContact C-N 3.32Å; C214-D216 PolarHBondContact O-N 2.99Å; C214-V217 HydrophobicContact CB-CB 4.42Å; C214-V217 HydrophobicContact CB-CG2 3.55Å; C214-V217 PolarHBondContact O-N 3.42Å | ||
| 215 | P | 85.1 | Confident | 83.9 | Confident | 95 Ų | 95 | 104.9 Ų | 104.9 | 62% | 0.617 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -56.4 | -39.3 | -177.3 | -27.5 | 35.9 | 0 | 0 | 0 | 114.7 | V217 | P215-V217 VanDerWaalsContact C-N 3.29Å; P215-V217 PolarHBondContact O-N 2.94Å |
| 216 | D | 85.8 | Confident | 85.1 | Confident | 159 Ų | 159 | 98.1 Ų | 98.1 | 85% | 0.85 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -76.7 | -11.3 | -170.4 | -50.8 | -72.3 | 0 | 0 | 0 | 114.6 | C214 | C214-D216 VanDerWaalsContact C-N 3.32Å; C214-D216 PolarHBondContact O-N 2.99Å |
| 217 | V | 86.8 | Confident | 86.2 | Confident | 82 Ų | 82 | 92.9 Ų | 92.9 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -85.4 | -27.9 | -171 | -171.2 | 0 | 0 | 0 | 0 | 112.4 | C214 P215 H264 | C214-V217 HydrophobicContact CB-CB 4.42Å; C214-V217 HydrophobicContact CB-CG2 3.55Å; C214-V217 PolarHBondContact O-N 3.42Å; P215-V217 VanDerWaalsContact C-N 3.29Å; P215-V217 PolarHBondContact O-N 2.94Å; V217-H264 HydrophobicContact CG1-CB 3.92Å; V217-H264 WeakPolarHBondContact CG1-ND1 3.41Å |
| 218 | V | 86.3 | Confident | 87.1 | Confident | 11 Ų | 11 | 90.2 Ų | 90.2 | 7% | 0.067 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -138.7 | 118.4 | 177.4 | -168.8 | 0 | 0 | 0 | 0 | 111 | E220 K222 V223 H264 | V218-E220 PolarHBondContact O-N 3.03Å; V218-K222 HydrophobicContact CG1-CB 3.86Å; V218-V223 HydrophobicContact CB-CG2 3.91Å; V218-V223 HydrophobicContact CG1-CG2 3.58Å; V218-H264 HydrophobicContact CG2-CB 3.51Å |
| 219 | L | 89.4 | Confident | 87.6 | Confident | 117 Ų | 117 | 85.1 Ų | 85.1 | 61% | 0.613 | 44% | 0.442 | S | S | * | . | trans | -55.2 | 129.1 | 171.2 | -176.3 | 69.8 | 0 | 0 | 0 | 110.8 | S221 K222 V223 | L219-S221 PolarHBondContact O-N 2.98Å; L219-K222 WeakPolarHBondContact O-CB 3.37Å; L219-K222 PolarHBondContact O-N 2.6Å; L219-V223 PolarHBondContact O-N 3.01Å | ||
| 220 | E | 88 | Confident | 87.7 | Confident | 119 Ų | 119 | 79.1 Ų | 79.1 | 56% | 0.556 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -44.8 | -41.7 | -176.1 | -167.5 | -161 | 146.2 | 0 | 0 | 114.2 | V218 K222 V223 K224 | V218-E220 PolarHBondContact O-N 3.03Å; E220-K222 VanDerWaalsContact C-N 3.25Å; E220-K222 PolarHBondContact O-N 3.25Å; E220-V223 WeakPolarHBondContact O-CB 3.32Å; E220-V223 PolarHBondContact O-N 3.41Å; E220-K224 HydrophobicContact CG-CD 4.49Å; E220-K224 PolarHBondContact O-N 2.84Å; E220-K224 WeakPolarHBondContact OE1-CE 3.24Å; E220-K224 IonicContact OE1-NZ 2.57Å; E220-K224 PolarHBondContact OE1-NZ 3.41Å |
| 221 | S | 88.9 | Confident | 87.5 | Confident | 80 Ų | 80 | 76 Ų | 76 | 56% | 0.559 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -57 | -37 | 177.9 | -40.6 | 0 | 0 | 0 | 0 | 113 | L219 E225 | L219-S221 PolarHBondContact O-N 2.98Å; S221-E225 WeakPolarHBondContact O-CB 3.32Å; S221-E225 PolarHBondContact O-N 3.03Å |
| 222 | K | 89.8 | Confident | 87.3 | Confident | 106 Ų | 106 | 76 Ų | 76 | 46% | 0.461 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -76.4 | -29.1 | 177 | -64.9 | -179.8 | 178.6 | 176.3 | 0 | 112.3 | V218 L219 E220 Y226 I266 | V218-K222 HydrophobicContact CG1-CB 3.86Å; L219-K222 WeakPolarHBondContact O-CB 3.37Å; L219-K222 PolarHBondContact O-N 2.6Å; E220-K222 VanDerWaalsContact C-N 3.25Å; E220-K222 PolarHBondContact O-N 3.25Å; K222-Y226 VanDerWaalsContact O-CB 3.25Å; K222-Y226 WeakPolarHBondContact O-CB 3.4Å; K222-Y226 PolarHBondContact O-N 2.84Å; K222-I266 HydrophobicContact CB-CD1 3.85Å; K222-I266 HydrophobicContact CD-CD1 4.1Å; K222-I266 HydrophobicContact CG-CD1 4.4Å |
| 223 | V | 89.8 | Confident | 86.5 | Confident | 15 Ų | 15 | 78.8 Ų | 78.8 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68 | -43 | 172.6 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | W213 V218 L219 E220 Y226 L227 L256 | W213-V223 HydrophobicContact CH2-CG1 4.01Å; W213-V223 HydrophobicContact CH2-CG2 3.81Å; W213-V223 HydrophobicContact CZ2-CG2 4.15Å; V218-V223 HydrophobicContact CB-CG2 3.91Å; V218-V223 HydrophobicContact CG1-CG2 3.58Å; L219-V223 PolarHBondContact O-N 3.01Å; E220-V223 WeakPolarHBondContact O-CB 3.32Å; E220-V223 PolarHBondContact O-N 3.41Å; V223-Y226 WeakPolarHBondContact O-CB 3.36Å; V223-Y226 PolarHBondContact O-N 3.45Å; V223-L227 HydrophobicContact CG1-CD1 4.39Å; V223-L227 WeakPolarHBondContact O-CG 3.25Å; V223-L227 PolarHBondContact O-N 3.16Å; V223-L256 HydrophobicContact CG1-CD2 3.63Å |
| 224 | K | 88.9 | Confident | 85.6 | Confident | 98 Ų | 98 | 76.7 Ų | 76.7 | 43% | 0.426 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 173.1 | -74.1 | 173.1 | 167.7 | 172.5 | 0 | 112 | E220 Y226 L227 V228 | E220-K224 HydrophobicContact CG-CD 4.49Å; E220-K224 PolarHBondContact O-N 2.84Å; E220-K224 WeakPolarHBondContact OE1-CE 3.24Å; E220-K224 IonicContact OE1-NZ 2.57Å; E220-K224 PolarHBondContact OE1-NZ 3.41Å; K224-Y226 PolarHBondContact O-N 2.9Å; K224-L227 PolarHBondContact O-N 3.07Å; K224-V228 WeakPolarHBondContact O-CG2 3.41Å; K224-V228 PolarHBondContact O-N 2.82Å |
| 225 | E | 89.6 | Confident | 84.2 | Confident | 130 Ų | 130 | 76.9 Ų | 76.9 | 61% | 0.607 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -57.9 | -45.8 | 173.2 | -173.1 | -177.8 | -173.9 | 0 | 0 | 111.8 | S221 L227 V228 E229 | S221-E225 WeakPolarHBondContact O-CB 3.32Å; S221-E225 PolarHBondContact O-N 3.03Å; E225-L227 PolarHBondContact O-N 3.28Å; E225-V228 PolarHBondContact O-N 2.96Å; E225-E229 WeakPolarHBondContact O-CB 3.41Å; E225-E229 PolarHBondContact O-N 3.04Å |
| 226 | Y | 89.7 | Confident | 82.3 | Confident | 1 Ų | 1 | 79 Ų | 79 | 0% | 0.004 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | 176.3 | 171.2 | -102 | 0 | 0 | 0 | 113.2 | K222 V223 K224 E229 T230 A255 L259 I266 A269 I270 | K222-Y226 VanDerWaalsContact O-CB 3.25Å; K222-Y226 WeakPolarHBondContact O-CB 3.4Å; K222-Y226 PolarHBondContact O-N 2.84Å; V223-Y226 WeakPolarHBondContact O-CB 3.36Å; V223-Y226 PolarHBondContact O-N 3.45Å; K224-Y226 PolarHBondContact O-N 2.9Å; Y226-E229 PolarHBondContact O-N 3.02Å; Y226-T230 HydrophobicContact CD2-CG2 3.96Å; Y226-T230 HydrophobicContact CE1-CG2 4.13Å; Y226-T230 HydrophobicContact CE2-CG2 3.45Å; Y226-T230 VanDerWaalsContact CE2-CG2 3.45Å; Y226-T230 HydrophobicContact CG-CG2 4.48Å; Y226-T230 WeakPolarHBondContact O-CB 3.35Å; Y226-T230 WeakPolarHBondContact O-CG2 3.46Å; Y226-T230 PolarHBondContact O-N 3.39Å; Y226-T230 PolarHBondContact O-OG1 3.43Å; Y226-A255 HydrophobicContact CE1-CB 3.88Å; Y226-A255 PolarHBondContact OH-O 3.49Å; Y226-L259 HydrophobicContact CD1-CD2 4.05Å; Y226-L259 HydrophobicContact CE1-CB 3.95Å; Y226-L259 HydrophobicContact CE1-CD2 4.26Å; Y226-L259 HydrophobicContact CE2-CD1 4.44Å; Y226-L259 HydrophobicContact CG-CD2 4.49Å; Y226-I266 HydrophobicContact CD2-CG2 3.99Å; Y226-A269 HydrophobicContact CE2-CB 3.55Å; Y226-I270 HydrophobicContact CD2-CD1 4.28Å; Y226-I270 HydrophobicContact CD2-CG1 3.71Å; Y226-I270 HydrophobicContact CE2-CG1 3.71Å |
| 227 | L | 88.9 | Confident | 80.7 | Confident | 20 Ų | 20 | 75.8 Ų | 75.8 | 11% | 0.105 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 178.2 | -72.4 | 170.7 | 0 | 0 | 0 | 112.3 | V223 K224 E225 T230 S231 T249 N252 A255 L256 | V223-L227 HydrophobicContact CG1-CD1 4.39Å; V223-L227 WeakPolarHBondContact O-CG 3.25Å; V223-L227 PolarHBondContact O-N 3.16Å; K224-L227 PolarHBondContact O-N 3.07Å; E225-L227 PolarHBondContact O-N 3.28Å; L227-T230 WeakPolarHBondContact CA-OG1 3.4Å; L227-T230 PolarHBondContact O-OG1 3.02Å; L227-S231 WeakPolarHBondContact O-CB 3.37Å; L227-S231 PolarHBondContact O-N 3.12Å; L227-T249 HydrophobicContact CB-CG2 3.81Å; L227-N252 HydrophobicContact CD2-CB 3.99Å; L227-A255 HydrophobicContact CD2-CB 4.32Å; L227-L256 HydrophobicContact CD1-CD2 4.47Å; L227-L256 HydrophobicContact CD2-CD2 4.18Å; L227-L256 HydrophobicContact CD2-CG 4.29Å; L227-L256 HydrophobicContact CG-CD2 4.45Å |
| 228 | V | 87.9 | Confident | 78.8 | Confident | 87 Ų | 87 | 80.1 Ų | 80.1 | 53% | 0.527 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 173.8 | 173.9 | 0 | 0 | 0 | 0 | 111 | K224 E225 S231 L232 T249 | K224-V228 WeakPolarHBondContact O-CG2 3.41Å; K224-V228 PolarHBondContact O-N 2.82Å; E225-V228 PolarHBondContact O-N 2.96Å; V228-S231 PolarHBondContact O-N 3.15Å; V228-L232 WeakPolarHBondContact O-CB 3.47Å; V228-L232 PolarHBondContact O-N 3.38Å; V228-T249 HydrophobicContact CG2-CG2 3.79Å |
| 229 | E | 86.8 | Confident | 77 | Confident | 49 Ų | 49 | 87.3 Ų | 87.3 | 23% | 0.229 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.8 | -40.3 | -177.8 | 177.4 | 66.2 | 176.7 | 0 | 0 | 112.1 | E225 Y226 S231 L232 R233 I270 | E225-E229 WeakPolarHBondContact O-CB 3.41Å; E225-E229 PolarHBondContact O-N 3.04Å; Y226-E229 PolarHBondContact O-N 3.02Å; E229-S231 PolarHBondContact O-N 3.27Å; E229-L232 PolarHBondContact O-N 2.98Å; E229-R233 HydrophobicContact CG-CG 4.31Å; E229-R233 WeakPolarHBondContact O-CB 3.5Å; E229-R233 WeakPolarHBondContact O-CG 3.46Å; E229-R233 PolarHBondContact O-N 3.4Å; E229-R233 IonicContact OE1-CZ 2.72Å; E229-R233 IonicContact OE1-NE 2.72Å; E229-R233 PolarHBondContact OE1-NE 2.77Å; E229-R233 IonicContact OE1-NH2 3.65Å; E229-R233 PolarHBondContact OE1-NH2 2.72Å; E229-R233 IonicContact OE2-NH2 3.61Å; E229-I270 HydrophobicContact CB-CD1 4.35Å; E229-I270 HydrophobicContact CG-CD1 3.6Å; E229-I270 HydrophobicContact CG-CG1 4.27Å |
| 230 | T | 86 | Confident | 74.7 | Confident | 1 Ų | 1 | 86.9 Ų | 86.9 | 1% | 0.006 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 174.5 | 46.9 | 0 | 0 | 0 | 0 | 112.8 | Y226 L227 T234 I270 Y273 | Y226-T230 HydrophobicContact CD2-CG2 3.96Å; Y226-T230 HydrophobicContact CE1-CG2 4.13Å; Y226-T230 HydrophobicContact CE2-CG2 3.45Å; Y226-T230 VanDerWaalsContact CE2-CG2 3.45Å; Y226-T230 HydrophobicContact CG-CG2 4.48Å; Y226-T230 WeakPolarHBondContact O-CB 3.35Å; Y226-T230 WeakPolarHBondContact O-CG2 3.46Å; Y226-T230 PolarHBondContact O-N 3.39Å; Y226-T230 PolarHBondContact O-OG1 3.43Å; L227-T230 WeakPolarHBondContact CA-OG1 3.4Å; L227-T230 PolarHBondContact O-OG1 3.02Å; T230-T234 WeakPolarHBondContact O-CB 3.39Å; T230-T234 PolarHBondContact O-N 2.91Å; T230-T234 PolarHBondContact O-OG1 2.84Å; T230-I270 HydrophobicContact CG2-CB 4.44Å; T230-I270 HydrophobicContact CG2-CG1 3.87Å; T230-Y273 HydrophobicContact CG2-CD1 3.85Å; T230-Y273 HydrophobicContact CG2-CE1 4.48Å; T230-Y273 HydrophobicContact CG2-CG 4.39Å |
| 231 | S | 82.4 | Confident | 72.5 | Confident | 73 Ų | 73 | 86.7 Ų | 86.7 | 51% | 0.51 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.8 | -51.9 | 172.7 | -172 | 0 | 0 | 0 | 0 | 111.2 | L227 V228 E229 R233 T234 G235 | L227-S231 WeakPolarHBondContact O-CB 3.37Å; L227-S231 PolarHBondContact O-N 3.12Å; V228-S231 PolarHBondContact O-N 3.15Å; E229-S231 PolarHBondContact O-N 3.27Å; S231-R233 VanDerWaalsContact C-N 3.3Å; S231-R233 PolarHBondContact O-N 3.09Å; S231-T234 WeakPolarHBondContact O-CB 3.49Å; S231-T234 PolarHBondContact O-N 3.09Å; S231-T234 VanDerWaalsContact O-N 3.08Å; S231-G235 PolarHBondContact O-N 3.34Å |
| 232 | L | 80.2 | Confident | 70.4 | Confident | 123 Ų | 123 | 93.9 Ų | 93.9 | 64% | 0.644 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -57.7 | -39.6 | 178.6 | -178.2 | 63.7 | 0 | 0 | 0 | 112.8 | V228 E229 | V228-L232 WeakPolarHBondContact O-CB 3.47Å; V228-L232 PolarHBondContact O-N 3.38Å; E229-L232 PolarHBondContact O-N 2.98Å |
| 233 | R | 73.3 | Confident | 68.5 | Low | 155 Ų | 155 | 93.4 Ų | 93.4 | 59% | 0.585 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -75.1 | -26.8 | 177.8 | -66 | -78.1 | 174.9 | -142.7 | -15.4 | 113.5 | E229 S231 I270 C274 | E229-R233 HydrophobicContact CG-CG 4.31Å; E229-R233 WeakPolarHBondContact O-CB 3.5Å; E229-R233 WeakPolarHBondContact O-CG 3.46Å; E229-R233 PolarHBondContact O-N 3.4Å; E229-R233 IonicContact OE1-CZ 2.72Å; E229-R233 IonicContact OE1-NE 2.72Å; E229-R233 PolarHBondContact OE1-NE 2.77Å; E229-R233 IonicContact OE1-NH2 3.65Å; E229-R233 PolarHBondContact OE1-NH2 2.72Å; E229-R233 IonicContact OE2-NH2 3.61Å; S231-R233 VanDerWaalsContact C-N 3.3Å; S231-R233 PolarHBondContact O-N 3.09Å; R233-I270 HydrophobicContact CG-CG2 4.05Å; R233-C274 WeakPolarHBondContact CB-SG 3.34Å |
| 234 | T | 68.6 | Low | 66.4 | Low | 55 Ų | 55 | 97.5 Ų | 97.5 | 34% | 0.337 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 177.1 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | T230 S231 N236 Y273 | T230-T234 WeakPolarHBondContact O-CB 3.39Å; T230-T234 PolarHBondContact O-N 2.91Å; T230-T234 PolarHBondContact O-OG1 2.84Å; S231-T234 WeakPolarHBondContact O-CB 3.49Å; S231-T234 PolarHBondContact O-N 3.09Å; S231-T234 VanDerWaalsContact O-N 3.08Å; T234-N236 PolarHBondContact O-N 3.29Å; T234-Y273 VanDerWaalsContact OG1-CE1 3.29Å; T234-Y273 WeakPolarHBondContact OG1-CE1 3.41Å |
| 235 | G | 55.4 | Low | 64 | Low | 38 Ų | 38 | 97.7 Ų | 97.7 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | trans | 59.9 | 5.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | S231 | S231-G235 PolarHBondContact O-N 3.34Š| ||
| 236 | N | 46.3 | Very low | 61.8 | Low | 139 Ų | 139 | 94 Ų | 94 | 74% | 0.743 | 51% | 0.509 | S | S | * | . | trans | -111.8 | 4.6 | -169.5 | -85 | -16.6 | 0 | 0 | 0 | 114.5 | T234 | T234-N236 PolarHBondContact O-N 3.29Š| ||
| 237 | E | 51.3 | Low | 59.9 | Low | 93 Ų | 93 | 101.6 Ų | 101.6 | 44% | 0.435 | 56% | 0.556 | S | S | . | * | trans | -99.6 | 40.6 | 173.5 | -68.9 | -159.6 | 139.2 | 0 | 0 | 113.3 | I239 M240 D241 R250 | E237-I239 PolarHBondContact O-N 2.91Å; E237-M240 HydrophobicContact CB-CB 4.13Å; E237-M240 PolarHBondContact O-N 3.05Å; E237-D241 PolarHBondContact O-N 3.3Å; E237-R250 IonicContact OE2-CZ 3.94Å; E237-R250 IonicContact OE2-NH1 3.71Å; E237-R250 PolarHBondContact OE2-NH1 3.35Å; E237-R250 IonicContact OE2-NH2 3.13Å | ||
| 238 | K | 48.3 | Very low | 58.1 | Low | 173 Ų | 173 | 108.2 Ų | 108.2 | 75% | 0.752 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 15.1 | 174.3 | -64.8 | -173 | 177.7 | -178.4 | 0 | 115.4 | ||
| 239 | I | 47.8 | Very low | 57 | Low | 161 Ų | 161 | 106 Ų | 106 | 83% | 0.826 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | -20.7 | 177.8 | -63.3 | 177.6 | 0 | 0 | 0 | 110.3 | E237 | E237-I239 PolarHBondContact O-N 2.91Š|
| 240 | M | 41.7 | Very low | 56.1 | Low | 108 Ų | 108 | 111.3 Ų | 111.3 | 53% | 0.532 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.9 | -18.4 | 179.2 | -148.6 | 65.5 | 163.5 | 0 | 0 | 113.6 | E237 R242 I243 | E237-M240 HydrophobicContact CB-CB 4.13Å; E237-M240 PolarHBondContact O-N 3.05Å; M240-R242 PolarHBondContact O-N 2.9Å; M240-I243 PolarHBondContact O-N 3.49Å |
| 241 | D | 40.3 | Very low | 55.6 | Low | 116 Ų | 116 | 117.4 Ų | 117.4 | 62% | 0.62 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 10.3 | 179.3 | -70.4 | -33.2 | 0 | 0 | 0 | 115.9 | E237 | E237-D241 PolarHBondContact O-N 3.3Š|
| 242 | R | 46 | Very low | 55.7 | Low | 230 Ų | 230 | 115.7 Ų | 115.7 | 87% | 0.868 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -19 | -178.2 | -67.9 | -168.3 | 176.7 | -151.8 | -1.1 | 115.4 | M240 | M240-R242 PolarHBondContact O-N 2.9Š|
| 243 | I | 49.1 | Very low | 56 | Low | 96 Ų | 96 | 118 Ų | 118 | 49% | 0.492 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -103.5 | -9.4 | -173.2 | -56.7 | 170.4 | 0 | 0 | 0 | 111.6 | M240 E333 | M240-I243 PolarHBondContact O-N 3.49Å; I243-E333 HydrophobicContact CD1-CG 4.32Å; I243-E333 WeakPolarHBondContact CD1-OE1 3.4Å |
| 244 | S | 46.4 | Very low | 56.6 | Low | 101 Ų | 101 | 114.7 Ų | 114.7 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | trans | -138.6 | 47.3 | -175.3 | -57.8 | 0 | 0 | 0 | 0 | 113.6 | G246 | S244-G246 PolarHBondContact O-N 3.1Š| ||
| 245 | A | 38.4 | Very low | 57.6 | Low | 103 Ų | 103 | 112 Ų | 112 | 85% | 0.851 | 59% | 0.591 | S | S | * | * | trans | -75.1 | 32.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 246 | G | 42.2 | Very low | 59.2 | Low | 51 Ų | 51 | 112.4 Ų | 112.4 | 53% | 0.526 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -101.1 | 154.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S244 H248 | S244-G246 PolarHBondContact O-N 3.1Å; G246-H248 PolarHBondContact O-N 2.86Å |
| 247 | T | 51 | Low | 61.2 | Low | 161 Ų | 161 | 110 Ų | 110 | 99% | 0.988 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -72 | 27.3 | -174.6 | -32.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 248 | H | 50.7 | Low | 63.1 | Low | 159 Ų | 159 | 106 Ų | 106 | 74% | 0.736 | 55% | 0.546 | S | S | * | . | trans | -94.5 | 124.8 | -179.1 | -169.5 | 62.4 | 0 | 0 | 0 | 110.2 | G246 R250 | G246-H248 PolarHBondContact O-N 2.86Å; H248-R250 PolarHBondContact O-N 3.13Å | ||
| 249 | T | 64 | Low | 65.1 | Low | 40 Ų | 40 | 97.7 Ų | 97.7 | 25% | 0.245 | 51% | 0.51 | C | S | . | . | trans | -71.6 | 113.8 | 176.5 | -15.7 | 0 | 0 | 0 | 0 | 108.3 | L227 V228 D251 | L227-T249 HydrophobicContact CB-CG2 3.81Å; V228-T249 HydrophobicContact CG2-CG2 3.79Å; T249-D251 PolarHBondContact O-N 3.16Å | ||
| 250 | R | 69.3 | Low | 67.1 | Low | 161 Ų | 161 | 91.4 Ų | 91.4 | 61% | 0.608 | 48% | 0.478 | S | S | * | . | trans | -64.6 | 122.5 | -179.9 | 177.1 | 175.7 | 172.3 | -171.2 | -3.6 | 110.2 | E237 H248 N252 | E237-R250 IonicContact OE2-CZ 3.94Å; E237-R250 IonicContact OE2-NH1 3.71Å; E237-R250 PolarHBondContact OE2-NH1 3.35Å; E237-R250 IonicContact OE2-NH2 3.13Å; H248-R250 PolarHBondContact O-N 3.13Å; R250-N252 PolarHBondContact O-N 3.29Å | ||
| 251 | D | 74.1 | Confident | 69.3 | Low | 129 Ų | 129 | 90.9 Ų | 90.9 | 69% | 0.69 | 47% | 0.473 | S | S | * | . | trans | -55.5 | 133.4 | 173.6 | -66.8 | -41.1 | 0 | 0 | 0 | 111 | T249 | T249-D251 PolarHBondContact O-N 3.16Š| ||
| 252 | N | 84.6 | Confident | 71.6 | Confident | 37 Ų | 37 | 85.6 Ų | 85.6 | 20% | 0.198 | 44% | 0.444 | C | S | . | . | trans | -145.4 | 84 | -177.3 | -172 | -16.2 | 0 | 0 | 0 | 110.4 | L227 R250 Q254 A255 L256 Y273 | L227-N252 HydrophobicContact CD2-CB 3.99Å; R250-N252 PolarHBondContact O-N 3.29Å; N252-Q254 PolarHBondContact O-N 3.49Å; N252-Q254 PolarHBondContact OD1-N 3.07Å; N252-A255 HydrophobicContact CB-CB 4.04Å; N252-A255 PolarHBondContact O-N 3.32Å; N252-A255 VanDerWaalsContact O-N 3.11Å; N252-A255 PolarHBondContact OD1-N 2.9Å; N252-L256 PolarHBondContact O-N 3.33Å; N252-Y273 PolarHBondContact ND2-OH 3.41Å | ||
| 253 | E | 87.3 | Confident | 73.5 | Confident | 171 Ų | 171 | 81.5 Ų | 81.5 | 80% | 0.799 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -54.4 | -37.7 | 179.1 | -61.1 | 176.5 | 165.4 | 0 | 0 | 112.1 | L256 Y257 | E253-L256 PolarHBondContact O-N 3.33Å; E253-Y257 WeakPolarHBondContact O-CB 3.43Å; E253-Y257 PolarHBondContact O-N 2.93Å |
| 254 | Q | 86.1 | Confident | 75.2 | Confident | 86 Ų | 86 | 78.4 Ų | 78.4 | 40% | 0.402 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.1 | -36.2 | 179.3 | -176.2 | 58 | 75.9 | 0 | 0 | 112.5 | N252 E258 Y273 | N252-Q254 PolarHBondContact O-N 3.49Å; N252-Q254 PolarHBondContact OD1-N 3.07Å; Q254-E258 PolarHBondContact NE2-OE1 3.48Å; Q254-E258 WeakPolarHBondContact O-CG 3.37Å; Q254-E258 PolarHBondContact O-N 3.13Å; Q254-E258 VanDerWaalsContact O-N 3.12Å; Q254-Y273 HydrophobicContact CB-CE2 4.37Å; Q254-Y273 HydrophobicContact CG-CE2 4.07Å |
| 255 | A | 88.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.6 | -45.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y226 L227 N252 Y257 E258 L259 Y273 | Y226-A255 HydrophobicContact CE1-CB 3.88Å; Y226-A255 PolarHBondContact OH-O 3.49Å; L227-A255 HydrophobicContact CD2-CB 4.32Å; N252-A255 HydrophobicContact CB-CB 4.04Å; N252-A255 PolarHBondContact O-N 3.32Å; N252-A255 VanDerWaalsContact O-N 3.11Å; N252-A255 PolarHBondContact OD1-N 2.9Å; A255-Y257 VanDerWaalsContact C-N 3.25Å; A255-Y257 PolarHBondContact O-N 3.26Å; A255-E258 PolarHBondContact O-N 2.87Å; A255-E258 VanDerWaalsContact O-N 3.15Å; A255-L259 PolarHBondContact O-N 3.39Å; A255-Y273 HydrophobicContact CB-CD2 4.03Å; A255-Y273 HydrophobicContact CB-CE2 3.9Å; A255-Y273 HydrophobicContact CB-CG 4.44Å |
| 256 | L | 90 | Very high | 79.7 | Confident | 46 Ų | 46 | 74.3 Ų | 74.3 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.6 | -35.1 | 176.8 | -64.1 | 175.3 | 0 | 0 | 0 | 112.2 | W213 V223 L227 N252 E253 L259 L260 | W213-L256 HydrophobicContact CZ3-CD2 4.25Å; V223-L256 HydrophobicContact CG1-CD2 3.63Å; L227-L256 HydrophobicContact CD1-CD2 4.47Å; L227-L256 HydrophobicContact CD2-CD2 4.18Å; L227-L256 HydrophobicContact CD2-CG 4.29Å; L227-L256 HydrophobicContact CG-CD2 4.45Å; N252-L256 PolarHBondContact O-N 3.33Å; E253-L256 PolarHBondContact O-N 3.33Å; L256-L259 WeakPolarHBondContact O-CB 3.46Å; L256-L259 PolarHBondContact O-N 2.95Å; L256-L260 PolarHBondContact O-N 2.68Å |
| 257 | Y | 88.9 | Confident | 81.9 | Confident | 88 Ų | 88 | 79.4 Ų | 79.4 | 35% | 0.345 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -71.1 | -35.8 | 175 | -174.2 | -138.4 | 0 | 0 | 0 | 113.2 | L212 E253 A255 L259 L260 K261 | L212-Y257 HydrophobicContact CD2-CD2 4.4Å; L212-Y257 HydrophobicContact CD2-CE2 4.18Å; E253-Y257 WeakPolarHBondContact O-CB 3.43Å; E253-Y257 PolarHBondContact O-N 2.93Å; A255-Y257 VanDerWaalsContact C-N 3.25Å; A255-Y257 PolarHBondContact O-N 3.26Å; Y257-L259 VanDerWaalsContact C-N 3.34Å; Y257-L260 HydrophobicContact CD2-CD2 3.98Å; Y257-L260 HydrophobicContact CE2-CD2 4.15Å; Y257-L260 PolarHBondContact O-N 2.72Å; Y257-K261 VanDerWaalsContact CZ-CE 3.46Å; Y257-K261 WeakPolarHBondContact O-CG 3.29Å; Y257-K261 PolarHBondContact O-N 2.89Å |
| 258 | E | 89.6 | Confident | 83.7 | Confident | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.1 | -32.8 | 169.2 | -66.8 | -54.8 | 134.6 | 0 | 0 | 112 | Q254 A255 K261 C262 Y273 | Q254-E258 PolarHBondContact NE2-OE1 3.48Å; Q254-E258 WeakPolarHBondContact O-CG 3.37Å; Q254-E258 PolarHBondContact O-N 3.13Å; Q254-E258 VanDerWaalsContact O-N 3.12Å; A255-E258 PolarHBondContact O-N 2.87Å; A255-E258 VanDerWaalsContact O-N 3.15Å; E258-K261 PolarHBondContact O-N 3.42Å; E258-K261 IonicContact OE1-NZ 2.72Å; E258-K261 PolarHBondContact OE1-NZ 3.19Å; E258-K261 IonicContact OE2-NZ 2.6Å; E258-C262 WeakPolarHBondContact O-CB 3.4Å; E258-C262 PolarHBondContact O-N 3.27Å; E258-C262 PolarHBondContact O-SG 3.29Å; E258-Y273 HydrophobicContact CG-CD2 4.22Å |
| 259 | L | 90.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 172.4 | -175.9 | 64.3 | 0 | 0 | 0 | 111.7 | W213 Y226 A255 L256 Y257 C262 H264 I266 A269 | W213-L259 HydrophobicContact CZ3-CD2 4.37Å; Y226-L259 HydrophobicContact CD1-CD2 4.05Å; Y226-L259 HydrophobicContact CE1-CB 3.95Å; Y226-L259 HydrophobicContact CE1-CD2 4.26Å; Y226-L259 HydrophobicContact CE2-CD1 4.44Å; Y226-L259 HydrophobicContact CG-CD2 4.49Å; A255-L259 PolarHBondContact O-N 3.39Å; L256-L259 WeakPolarHBondContact O-CB 3.46Å; L256-L259 PolarHBondContact O-N 2.95Å; Y257-L259 VanDerWaalsContact C-N 3.34Å; L259-C262 PolarHBondContact O-N 2.86Å; L259-H264 VanDerWaalsContact O-CA 3.28Å; L259-H264 WeakPolarHBondContact O-CA 3.3Å; L259-H264 PolarHBondContact O-N 3.25Å; L259-I266 HydrophobicContact CD1-CG1 4.24Å; L259-A269 HydrophobicContact CB-CB 4.25Å; L259-A269 HydrophobicContact CD1-CB 3.8Å |
| 260 | L | 89.7 | Confident | 86.7 | Confident | 28 Ų | 28 | 66.7 Ų | 66.7 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.8 | -51.7 | 172.3 | 179.4 | 75.3 | 0 | 0 | 0 | 111.6 | L212 L256 Y257 C262 N263 | L212-L260 HydrophobicContact CD2-CD2 4.04Å; L256-L260 PolarHBondContact O-N 2.68Å; Y257-L260 HydrophobicContact CD2-CD2 3.98Å; Y257-L260 HydrophobicContact CE2-CD2 4.15Å; Y257-L260 PolarHBondContact O-N 2.72Å; L260-C262 PolarHBondContact O-N 3.41Å; L260-N263 WeakPolarHBondContact O-CA 3.41Å; L260-N263 PolarHBondContact O-N 3.03Å |
| 261 | K | 87.9 | Confident | 87.5 | Confident | 98 Ų | 98 | 65.5 Ų | 65.5 | 43% | 0.426 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.8 | -34.7 | 179.1 | -73.2 | 174.9 | -170.6 | 173 | 0 | 113.2 | Y257 E258 N263 | Y257-K261 VanDerWaalsContact CZ-CE 3.46Å; Y257-K261 WeakPolarHBondContact O-CG 3.29Å; Y257-K261 PolarHBondContact O-N 2.89Å; E258-K261 PolarHBondContact O-N 3.42Å; E258-K261 IonicContact OE1-NZ 2.72Å; E258-K261 PolarHBondContact OE1-NZ 3.19Å; E258-K261 IonicContact OE2-NZ 2.6Å; K261-N263 PolarHBondContact O-N 3.11Å |
| 262 | C | 88.3 | Confident | 88 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 17.8 | 176 | -66.6 | 0 | 0 | 0 | 0 | 113.4 | E258 L259 L260 H264 N265 E268 A269 R272 | E258-C262 WeakPolarHBondContact O-CB 3.4Å; E258-C262 PolarHBondContact O-N 3.27Å; E258-C262 PolarHBondContact O-SG 3.29Å; L259-C262 PolarHBondContact O-N 2.86Å; L260-C262 PolarHBondContact O-N 3.41Å; C262-H264 PolarHBondContact O-N 3.2Å; C262-H264 VanDerWaalsContact O-N 3.12Å; C262-N265 HydrophobicContact CB-CB 4.47Å; C262-N265 VanDerWaalsContact O-CB 3.24Å; C262-N265 WeakPolarHBondContact O-CB 3.22Å; C262-N265 PolarHBondContact O-N 3.26Å; C262-E268 HydrophobicContact CB-CB 4.48Å; C262-A269 HydrophobicContact CB-CB 3.94Å; C262-A269 VanDerWaalsContact SG-CA 3.54Å; C262-R272 PolarHBondContact SG-NH1 3.42Å |
| 263 | N | 86.4 | Confident | 88 | Confident | 144 Ų | 144 | 64.5 Ų | 64.5 | 77% | 0.77 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 38.7 | -174.2 | -63.3 | 108.6 | 0 | 0 | 0 | 112.6 | L260 K261 N265 | L260-N263 WeakPolarHBondContact O-CA 3.41Å; L260-N263 PolarHBondContact O-N 3.03Å; K261-N263 PolarHBondContact O-N 3.11Å; N263-N265 VanDerWaalsContact C-N 3.26Å; N263-N265 PolarHBondContact O-N 3.36Å |
| 264 | H | 85.9 | Confident | 87.6 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 15% | 0.148 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 15 | -177.7 | -49.9 | 88.5 | 0 | 0 | 0 | 115.9 | V217 V218 L259 C262 I266 | V217-H264 HydrophobicContact CG1-CB 3.92Å; V217-H264 WeakPolarHBondContact CG1-ND1 3.41Å; V218-H264 HydrophobicContact CG2-CB 3.51Å; L259-H264 VanDerWaalsContact O-CA 3.28Å; L259-H264 WeakPolarHBondContact O-CA 3.3Å; L259-H264 PolarHBondContact O-N 3.25Å; C262-H264 PolarHBondContact O-N 3.2Å; C262-H264 VanDerWaalsContact O-N 3.12Å; H264-I266 PolarHBondContact O-N 2.97Å |
| 265 | N | 88.3 | Confident | 87.1 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | trans | -72.1 | 91.8 | 169.9 | -176.6 | 2.8 | 0 | 0 | 0 | 111.2 | C262 N263 K267 E268 A269 | C262-N265 HydrophobicContact CB-CB 4.47Å; C262-N265 VanDerWaalsContact O-CB 3.24Å; C262-N265 WeakPolarHBondContact O-CB 3.22Å; C262-N265 PolarHBondContact O-N 3.26Å; N263-N265 VanDerWaalsContact C-N 3.26Å; N263-N265 PolarHBondContact O-N 3.36Å; N265-K267 VanDerWaalsContact C-N 3.25Å; N265-K267 PolarHBondContact O-N 3.44Å; N265-K267 VanDerWaalsContact O-N 3.1Å; N265-K267 PolarHBondContact OD1-N 3.49Å; N265-E268 HydrophobicContact CB-CB 4.07Å; N265-E268 VanDerWaalsContact ND2-CB 3.29Å; N265-E268 WeakPolarHBondContact ND2-CB 3.27Å; N265-E268 PolarHBondContact ND2-OE2 3.44Å; N265-E268 PolarHBondContact O-N 2.95Å; N265-E268 VanDerWaalsContact O-N 3.16Å; N265-A269 WeakPolarHBondContact O-CB 3.36Å; N265-A269 PolarHBondContact O-N 2.99Å | ||
| 266 | I | 89.3 | Confident | 85.9 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -43.1 | -45.9 | -178.8 | -62.8 | 171.2 | 0 | 0 | 0 | 113.2 | K222 Y226 L259 H264 A269 I270 | K222-I266 HydrophobicContact CB-CD1 3.85Å; K222-I266 HydrophobicContact CD-CD1 4.1Å; K222-I266 HydrophobicContact CG-CD1 4.4Å; Y226-I266 HydrophobicContact CD2-CG2 3.99Å; L259-I266 HydrophobicContact CD1-CG1 4.24Å; H264-I266 PolarHBondContact O-N 2.97Å; I266-A269 PolarHBondContact O-N 3.18Å; I266-I270 HydrophobicContact CG2-CD1 4Å; I266-I270 WeakPolarHBondContact O-CD1 3.43Å; I266-I270 VanDerWaalsContact O-CG1 3.27Å; I266-I270 WeakPolarHBondContact O-CG1 3.1Å; I266-I270 PolarHBondContact O-N 3.48Å |
| 267 | K | 88.7 | Confident | 84.5 | Confident | 158 Ų | 158 | 60.1 Ų | 60.1 | 69% | 0.687 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -69.5 | -48.3 | -175.7 | -66.8 | -177.4 | 178.1 | -178.9 | 0 | 112 | N265 A269 I270 E271 | N265-K267 VanDerWaalsContact C-N 3.25Å; N265-K267 PolarHBondContact O-N 3.44Å; N265-K267 VanDerWaalsContact O-N 3.1Å; N265-K267 PolarHBondContact OD1-N 3.49Å; K267-A269 VanDerWaalsContact C-N 3.27Å; K267-A269 PolarHBondContact O-N 2.75Å; K267-I270 PolarHBondContact O-N 3.25Å; K267-E271 PolarHBondContact O-N 2.95Å |
| 268 | E | 88.9 | Confident | 82.8 | Confident | 69 Ų | 69 | 64 Ų | 64 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67 | -31.9 | 178.4 | -170.4 | 179.8 | 168.5 | 0 | 0 | 111.3 | C262 N265 R272 | C262-E268 HydrophobicContact CB-CB 4.48Å; N265-E268 HydrophobicContact CB-CB 4.07Å; N265-E268 VanDerWaalsContact ND2-CB 3.29Å; N265-E268 WeakPolarHBondContact ND2-CB 3.27Å; N265-E268 PolarHBondContact ND2-OE2 3.44Å; N265-E268 PolarHBondContact O-N 2.95Å; N265-E268 VanDerWaalsContact O-N 3.16Å; E268-R272 WeakPolarHBondContact O-CB 3.46Å; E268-R272 WeakPolarHBondContact O-CG 3.39Å; E268-R272 PolarHBondContact O-N 2.92Å; E268-R272 IonicContact OE1-CZ 3.68Å; E268-R272 IonicContact OE1-NH1 2.72Å; E268-R272 PolarHBondContact OE1-NH1 3.32Å; E268-R272 IonicContact OE1-NH2 3.99Å; E268-R272 PolarHBondContact OE1-NH2 2.81Å |
| 269 | A | 89.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y226 L259 C262 N265 I266 K267 Y273 | Y226-A269 HydrophobicContact CE2-CB 3.55Å; L259-A269 HydrophobicContact CB-CB 4.25Å; L259-A269 HydrophobicContact CD1-CB 3.8Å; C262-A269 HydrophobicContact CB-CB 3.94Å; C262-A269 VanDerWaalsContact SG-CA 3.54Å; N265-A269 WeakPolarHBondContact O-CB 3.36Å; N265-A269 PolarHBondContact O-N 2.99Å; I266-A269 PolarHBondContact O-N 3.18Å; K267-A269 VanDerWaalsContact C-N 3.27Å; K267-A269 PolarHBondContact O-N 2.75Å; A269-Y273 WeakPolarHBondContact O-CB 3.39Å; A269-Y273 PolarHBondContact O-N 2.86Å |
| 270 | I | 87.9 | Confident | 78.6 | Confident | 24 Ų | 24 | 69.4 Ų | 69.4 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 173.1 | -67.3 | 155.9 | 0 | 0 | 0 | 109.5 | Y226 E229 T230 R233 I266 K267 Y273 C274 | Y226-I270 HydrophobicContact CD2-CD1 4.28Å; Y226-I270 HydrophobicContact CD2-CG1 3.71Å; Y226-I270 HydrophobicContact CE2-CG1 3.71Å; E229-I270 HydrophobicContact CB-CD1 4.35Å; E229-I270 HydrophobicContact CG-CD1 3.6Å; E229-I270 HydrophobicContact CG-CG1 4.27Å; T230-I270 HydrophobicContact CG2-CB 4.44Å; T230-I270 HydrophobicContact CG2-CG1 3.87Å; R233-I270 HydrophobicContact CG-CG2 4.05Å; I266-I270 HydrophobicContact CG2-CD1 4Å; I266-I270 WeakPolarHBondContact O-CD1 3.43Å; I266-I270 VanDerWaalsContact O-CG1 3.27Å; I266-I270 WeakPolarHBondContact O-CG1 3.1Å; I266-I270 PolarHBondContact O-N 3.48Å; K267-I270 PolarHBondContact O-N 3.25Å; I270-Y273 PolarHBondContact O-N 3.44Å; I270-C274 WeakPolarHBondContact O-CB 3.38Å; I270-C274 PolarHBondContact O-N 3.32Å; I270-C274 PolarHBondContact O-SG 2.77Å |
| 271 | E | 86.4 | Confident | 76.8 | Confident | 136 Ų | 136 | 74.2 Ų | 74.2 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.5 | -46.4 | -178.5 | -72 | 178.1 | -172 | 0 | 0 | 112.2 | K267 C274 C275 | K267-E271 PolarHBondContact O-N 2.95Å; E271-C274 PolarHBondContact O-N 2.92Å; E271-C275 WeakPolarHBondContact O-CB 3.43Å; E271-C275 PolarHBondContact O-N 2.76Å; E271-C275 PolarHBondContact O-SG 3.13Å |
| 272 | R | 85.6 | Confident | 74.5 | Confident | 112 Ų | 112 | 77.5 Ų | 77.5 | 42% | 0.423 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 173.8 | -76.8 | -157.7 | -179.8 | 93.6 | 18 | 111.7 | C262 E268 C274 C275 N276 | C262-R272 PolarHBondContact SG-NH1 3.42Å; E268-R272 WeakPolarHBondContact O-CB 3.46Å; E268-R272 WeakPolarHBondContact O-CG 3.39Å; E268-R272 PolarHBondContact O-N 2.92Å; E268-R272 IonicContact OE1-CZ 3.68Å; E268-R272 IonicContact OE1-NH1 2.72Å; E268-R272 PolarHBondContact OE1-NH1 3.32Å; E268-R272 IonicContact OE1-NH2 3.99Å; E268-R272 PolarHBondContact OE1-NH2 2.81Å; R272-C274 PolarHBondContact O-N 3.37Å; R272-C275 PolarHBondContact O-N 2.93Å; R272-N276 WeakPolarHBondContact O-CB 3.44Å; R272-N276 PolarHBondContact O-N 3.01Å |
| 273 | Y | 84 | Confident | 72.6 | Confident | 33 Ų | 33 | 81.2 Ų | 81.2 | 13% | 0.129 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | -180 | -179.3 | -100.3 | 0 | 0 | 0 | 112.3 | T230 T234 N252 Q254 A255 E258 A269 I270 N276 G277 | T230-Y273 HydrophobicContact CG2-CD1 3.85Å; T230-Y273 HydrophobicContact CG2-CE1 4.48Å; T230-Y273 HydrophobicContact CG2-CG 4.39Å; T234-Y273 VanDerWaalsContact OG1-CE1 3.29Å; T234-Y273 WeakPolarHBondContact OG1-CE1 3.41Å; N252-Y273 PolarHBondContact ND2-OH 3.41Å; Q254-Y273 HydrophobicContact CB-CE2 4.37Å; Q254-Y273 HydrophobicContact CG-CE2 4.07Å; A255-Y273 HydrophobicContact CB-CD2 4.03Å; A255-Y273 HydrophobicContact CB-CE2 3.9Å; A255-Y273 HydrophobicContact CB-CG 4.44Å; E258-Y273 HydrophobicContact CG-CD2 4.22Å; A269-Y273 WeakPolarHBondContact O-CB 3.39Å; A269-Y273 PolarHBondContact O-N 2.86Å; I270-Y273 PolarHBondContact O-N 3.44Å; Y273-N276 PolarHBondContact O-N 2.99Å; Y273-G277 PolarHBondContact O-N 3.07Å |
| 274 | C | 79.1 | Confident | 70.9 | Confident | 26 Ų | 26 | 78.1 Ų | 78.1 | 18% | 0.176 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -75.7 | -26 | -178.9 | -62.2 | 0 | 0 | 0 | 0 | 114.2 | R233 I270 E271 R272 | R233-C274 WeakPolarHBondContact CB-SG 3.34Å; I270-C274 WeakPolarHBondContact O-CB 3.38Å; I270-C274 PolarHBondContact O-N 3.32Å; I270-C274 PolarHBondContact O-SG 2.77Å; E271-C274 PolarHBondContact O-N 2.92Å; R272-C274 PolarHBondContact O-N 3.37Å |
| 275 | C | 74.6 | Confident | 69.9 | Low | 92 Ų | 92 | 80.3 Ų | 80.3 | 62% | 0.622 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -77.5 | -44.3 | 169.5 | -75.9 | 0 | 0 | 0 | 0 | 111.2 | E271 R272 | E271-C275 WeakPolarHBondContact O-CB 3.43Å; E271-C275 PolarHBondContact O-N 2.76Å; E271-C275 PolarHBondContact O-SG 3.13Å; R272-C275 PolarHBondContact O-N 2.93Å |
| 276 | N | 64.4 | Low | 69.3 | Low | 53 Ų | 53 | 80.5 Ų | 80.5 | 28% | 0.283 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -77.4 | -29.2 | -174.9 | -162.7 | 37.1 | 0 | 0 | 0 | 113.2 | R272 Y273 K278 A279 S280 | R272-N276 WeakPolarHBondContact O-CB 3.44Å; R272-N276 PolarHBondContact O-N 3.01Å; Y273-N276 PolarHBondContact O-N 2.99Å; N276-K278 PolarHBondContact O-N 3.15Å; N276-A279 CarbonylContact O-C 3.59Å; N276-A279 PolarHBondContact O-N 2.98Å; N276-S280 VanDerWaalsContact CG-OG 3.3Å; N276-S280 PolarHBondContact ND2-OG 3.05Å; N276-S280 PolarHBondContact O-N 3.28Å; N276-S280 PolarHBondContact OD1-OG 2.92Å |
| 277 | G | 59.4 | Low | 69.1 | Low | 41 Ų | 41 | 80.1 Ų | 80.1 | 42% | 0.423 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -9.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y273 | Y273-G277 PolarHBondContact O-N 3.07Š|
| 278 | K | 53.2 | Low | 69 | Low | 170 Ų | 170 | 75.6 Ų | 75.6 | 74% | 0.739 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -5.5 | 172.2 | -62.4 | 170.2 | -173.3 | 165 | 0 | 113.5 | N276 | N276-K278 PolarHBondContact O-N 3.15Š|
| 279 | A | 46.1 | Very low | 69 | Low | 68 Ų | 68 | 77.2 Ų | 77.2 | 56% | 0.562 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | -50.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N276 Q281 | N276-A279 CarbonylContact O-C 3.59Å; N276-A279 PolarHBondContact O-N 2.98Å; A279-Q281 PolarHBondContact O-N 3.28Å |
| 280 | S | 46.5 | Very low | 68.9 | Low | 52 Ų | 52 | 82.2 Ų | 82.2 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | trans | -79.4 | 42.6 | -178 | -62.9 | 0 | 0 | 0 | 0 | 114.9 | N276 E282 | N276-S280 VanDerWaalsContact CG-OG 3.3Å; N276-S280 PolarHBondContact ND2-OG 3.05Å; N276-S280 PolarHBondContact O-N 3.28Å; N276-S280 PolarHBondContact OD1-OG 2.92Å; S280-E282 PolarHBondContact O-N 3.04Å | ||
| 281 | Q | 51.5 | Low | 69.1 | Low | 129 Ų | 129 | 82 Ų | 82 | 60% | 0.603 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 36.7 | 161.2 | -80.8 | -81.7 | -49.1 | 0 | 0 | 111 | A279 | A279-Q281 PolarHBondContact O-N 3.28Š|
| 282 | E | 40.8 | Very low | 69.3 | Low | 167 Ų | 167 | 76.3 Ų | 76.3 | 78% | 0.78 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -17.1 | -159.1 | -166.4 | 160.5 | -153.5 | 0 | 0 | 112.9 | S280 | S280-E282 PolarHBondContact O-N 3.04Š|
| 283 | G | 47.8 | Very low | 69.5 | Low | 82 Ų | 82 | 76.3 Ų | 76.3 | 85% | 0.845 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -78.7 | -24.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 284 | M | 50.7 | Low | 69.9 | Low | 79 Ų | 79 | 76.7 Ų | 76.7 | 39% | 0.389 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -159.9 | 92.5 | 174.9 | -172.3 | 65.7 | 144.6 | 0 | 0 | 108.3 | A286 E321 | M284-A286 PolarHBondContact O-N 3.07Å; M284-E321 HydrophobicContact CE-CB 4.21Å; M284-E321 HydrophobicContact CE-CG 4.17Å; M284-E321 HydrophobicContact SD-CB 4.45Å; M284-E321 HydrophobicContact SD-CG 3.82Å |
| 285 | T | 64.3 | Low | 70.6 | Confident | 79 Ų | 79 | 75.4 Ų | 75.4 | 49% | 0.485 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 130 | 175 | 49 | 0 | 0 | 0 | 0 | 109.3 | W287 R317 | T285-W287 PolarHBondContact O-N 2.99Å; T285-R317 PolarHBondContact O-NH1 3.31Å; T285-R317 PolarHBondContact O-NH2 2.8Å; T285-R317 PolarHBondContact OG1-NH1 2.96Å; T285-R317 PolarHBondContact OG1-NH2 2.85Å |
| 286 | A | 75.8 | Confident | 71.4 | Confident | 76 Ų | 76 | 72 Ų | 72 | 63% | 0.628 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 131.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M284 T288 | M284-A286 PolarHBondContact O-N 3.07Å; A286-T288 PolarHBondContact O-N 3.37Å |
| 287 | W | 85.3 | Confident | 72.7 | Confident | 37 Ų | 37 | 74 Ų | 74 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 125.6 | -178 | -81.2 | 57.8 | 0 | 0 | 0 | 110.3 | T285 E291 F295 V314 R317 E321 F325 | T285-W287 PolarHBondContact O-N 2.99Å; W287-E291 WeakPolarHBondContact CA-OE2 3.36Å; W287-E291 HydrophobicContact CE3-CB 3.79Å; W287-E291 HydrophobicContact CZ3-CB 4.31Å; W287-F295 HydrophobicContact CH2-CD2 4.25Å; W287-F295 HydrophobicContact CZ3-CB 4.06Å; W287-F295 HydrophobicContact CZ3-CD2 4.22Å; W287-F295 HydrophobicContact CZ3-CG 4.33Å; W287-V314 HydrophobicContact CH2-CG1 3.85Å; W287-V314 HydrophobicContact CZ3-CG1 3.8Å; W287-R317 HydrophobicContact CH2-CB 4.47Å; W287-R317 HydrophobicContact CH2-CG 4.03Å; W287-R317 HydrophobicContact CZ2-CB 4.33Å; W287-R317 HydrophobicContact CZ2-CG 3.83Å; W287-E321 HydrophobicContact CZ2-CB 4.31Å; W287-F325 HydrophobicContact CB-CD2 4.33Å; W287-F325 HydrophobicContact CB-CE2 4Å; W287-F325 AromaticContact CD1-CD2 3.94Å; W287-F325 HydrophobicContact CD2-CB 4.25Å; W287-F325 HydrophobicContact CD2-CD1 4.24Å; W287-F325 AromaticContact CD2-CD2 3.4Å; W287-F325 HydrophobicContact CD2-CD2 3.4Å; W287-F325 VanDerWaalsContact CD2-CD2 3.4Å; W287-F325 AromaticContact CD2-CE2 3.73Å; W287-F325 HydrophobicContact CD2-CE2 3.73Å; W287-F325 AromaticContact CD2-CG 3.69Å; W287-F325 HydrophobicContact CD2-CG 3.69Å; W287-F325 HydrophobicContact CD2-CZ 4.28Å; W287-F325 AromaticContact CE2-CD2 3.63Å; W287-F325 AromaticContact CE2-CG 3.62Å; W287-F325 AromaticContact CE3-CD1 3.86Å; W287-F325 HydrophobicContact CE3-CD1 3.86Å; W287-F325 AromaticContact CE3-CD2 3.8Å; W287-F325 HydrophobicContact CE3-CD2 3.8Å; W287-F325 AromaticContact CE3-CE1 3.92Å; W287-F325 HydrophobicContact CE3-CE1 3.92Å; W287-F325 AromaticContact CE3-CE2 3.86Å; W287-F325 HydrophobicContact CE3-CE2 3.86Å; W287-F325 AromaticContact CE3-CG 3.81Å; W287-F325 HydrophobicContact CE3-CG 3.81Å; W287-F325 AromaticContact CE3-CZ 3.92Å; W287-F325 HydrophobicContact CE3-CZ 3.92Å; W287-F325 AromaticContact CG-CD2 3.64Å; W287-F325 HydrophobicContact CG-CD2 3.64Å; W287-F325 AromaticContact CG-CE2 3.79Å; W287-F325 HydrophobicContact CG-CE2 3.79Å; W287-F325 HydrophobicContact CG-CG 4.39Å; W287-F325 HydrophobicContact CH2-CB 3.82Å; W287-F325 AromaticContact CH2-CD1 3.85Å; W287-F325 HydrophobicContact CH2-CD1 3.85Å; W287-F325 AromaticContact CH2-CG 3.8Å; W287-F325 HydrophobicContact CH2-CG 3.8Å; W287-F325 HydrophobicContact CZ2-CB 3.41Å; W287-F325 VanDerWaalsContact CZ2-CB 3.41Å; W287-F325 HydrophobicContact CZ2-CD1 4.23Å; W287-F325 HydrophobicContact CZ2-CD2 4.2Å; W287-F325 AromaticContact CZ2-CG 3.69Å; W287-F325 HydrophobicContact CZ2-CG 3.69Å; W287-F325 HydrophobicContact CZ3-CB 4.4Å; W287-F325 AromaticContact CZ3-CD1 3.66Å; W287-F325 HydrophobicContact CZ3-CD1 3.66Å; W287-F325 HydrophobicContact CZ3-CD2 4.34Å; W287-F325 AromaticContact CZ3-CE1 3.98Å; W287-F325 HydrophobicContact CZ3-CE1 3.98Å; W287-F325 AromaticContact CZ3-CG 3.87Å; W287-F325 HydrophobicContact CZ3-CG 3.87Å; W287-F325 HydrophobicContact CZ3-CZ 4.45Å; W287-F325 AromaticContact NE1-CD2 3.93Å |
| 288 | T | 87.1 | Confident | 74.2 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 159.8 | 179 | 93.5 | 0 | 0 | 0 | 0 | 110.8 | A286 E290 E291 C292 | A286-T288 PolarHBondContact O-N 3.37Å; T288-E290 VanDerWaalsContact CB-OE2 3.26Å; T288-E290 WeakPolarHBondContact CB-OE2 3.12Å; T288-E290 PolarHBondContact O-N 3.35Å; T288-E290 PolarHBondContact OG1-N 2.79Å; T288-E290 PolarHBondContact OG1-OE2 3.41Å; T288-E291 HydrophobicContact CG2-CG 4.38Å; T288-E291 PolarHBondContact N-OE2 3Å; T288-E291 VanDerWaalsContact N-OE2 3.09Å; T288-E291 PolarHBondContact O-N 3.27Å; T288-E291 PolarHBondContact OG1-N 3.32Å; T288-C292 PolarHBondContact O-N 3.44Å; T288-C292 PolarHBondContact O-SG 3Å; T288-C292 VanDerWaalsContact O-SG 3.36Å |
| 289 | E | 88.1 | Confident | 76.1 | Confident | 104 Ų | 104 | 65.1 Ų | 65.1 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.2 | -26.9 | 178.3 | -153.6 | -156.9 | 133.9 | 0 | 0 | 111.8 | R293 | E289-R293 WeakPolarHBondContact O-CB 3.46Å; E289-R293 WeakPolarHBondContact O-CG 3.42Å; E289-R293 PolarHBondContact O-N 3.46Å; E289-R293 PolarHBondContact O-NE 2.81Å; E289-R293 IonicContact OE1-CZ 2.73Å; E289-R293 VanDerWaalsContact OE1-CZ 3.27Å; E289-R293 IonicContact OE1-NE 3.67Å; E289-R293 PolarHBondContact OE1-NE 3.18Å; E289-R293 IonicContact OE1-NH1 3.34Å; E289-R293 PolarHBondContact OE1-NH1 2.81Å; E289-R293 IonicContact OE1-NH2 3.62Å |
| 290 | E | 89 | Confident | 78.2 | Confident | 104 Ų | 104 | 67.6 Ų | 67.6 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.6 | -42.2 | 172.9 | -58.6 | 62 | -125.7 | 0 | 0 | 111.2 | T288 R293 S294 | T288-E290 VanDerWaalsContact CB-OE2 3.26Å; T288-E290 WeakPolarHBondContact CB-OE2 3.12Å; T288-E290 PolarHBondContact O-N 3.35Å; T288-E290 PolarHBondContact OG1-N 2.79Å; T288-E290 PolarHBondContact OG1-OE2 3.41Å; E290-R293 IonicContact OE1-CZ 3.27Å; E290-R293 IonicContact OE1-NH2 3.82Å; E290-R293 PolarHBondContact OE1-NH2 3.35Å; E290-S294 WeakPolarHBondContact O-CB 3.28Å; E290-S294 PolarHBondContact O-N 3.3Å; E290-S294 PolarHBondContact O-OG 3.45Å |
| 291 | E | 90.9 | Very high | 80.3 | Confident | 21 Ų | 21 | 70 Ų | 70 | 10% | 0.098 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 175.3 | -64.7 | -173.9 | 118 | 0 | 0 | 110.9 | W287 T288 S294 F295 T316 R317 | W287-E291 WeakPolarHBondContact CA-OE2 3.36Å; W287-E291 HydrophobicContact CE3-CB 3.79Å; W287-E291 HydrophobicContact CZ3-CB 4.31Å; T288-E291 HydrophobicContact CG2-CG 4.38Å; T288-E291 PolarHBondContact N-OE2 3Å; T288-E291 VanDerWaalsContact N-OE2 3.09Å; T288-E291 PolarHBondContact O-N 3.27Å; T288-E291 PolarHBondContact OG1-N 3.32Å; E291-S294 PolarHBondContact O-N 2.91Å; E291-F295 WeakPolarHBondContact O-CB 3.49Å; E291-F295 PolarHBondContact O-N 3.08Å; E291-T316 WeakPolarHBondContact OE1-CB 3.38Å; E291-T316 PolarHBondContact OE1-OG1 2.84Å; E291-R317 IonicContact OE1-CZ 2.69Å; E291-R317 IonicContact OE1-NE 3.82Å; E291-R317 PolarHBondContact OE1-NE 3Å; E291-R317 IonicContact OE1-NH2 3.76Å; E291-R317 IonicContact OE2-CZ 3.13Å; E291-R317 IonicContact OE2-NE 2.69Å; E291-R317 PolarHBondContact OE2-NE 3.31Å; E291-R317 IonicContact OE2-NH2 3.83Å; E291-R317 PolarHBondContact OE2-NH2 2.98Å |
| 292 | C | 90.3 | Very high | 82.1 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 10% | 0.101 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.4 | -52 | 175.1 | -67.4 | 0 | 0 | 0 | 0 | 112 | T288 S294 F295 E296 F325 | T288-C292 PolarHBondContact O-N 3.44Å; T288-C292 PolarHBondContact O-SG 3Å; T288-C292 VanDerWaalsContact O-SG 3.36Å; C292-S294 VanDerWaalsContact C-N 3.31Å; C292-S294 PolarHBondContact O-N 3.02Å; C292-F295 WeakPolarHBondContact O-CB 3.42Å; C292-F295 PolarHBondContact O-N 3.48Å; C292-E296 VanDerWaalsContact O-CG 3.28Å; C292-E296 WeakPolarHBondContact O-CG 3.27Å; C292-E296 PolarHBondContact O-N 3Å; C292-F325 HydrophobicContact CB-CZ 4.35Å; C292-F325 VanDerWaalsContact SG-CZ 3.56Å |
| 293 | R | 90.9 | Very high | 84.4 | Confident | 112 Ų | 112 | 60.4 Ų | 60.4 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.3 | -36.2 | 177.6 | -72.3 | 175.9 | -69.4 | -174.8 | -1.8 | 112.4 | E289 E290 H297 R334 | E289-R293 WeakPolarHBondContact O-CB 3.46Å; E289-R293 WeakPolarHBondContact O-CG 3.42Å; E289-R293 PolarHBondContact O-N 3.46Å; E289-R293 PolarHBondContact O-NE 2.81Å; E289-R293 IonicContact OE1-CZ 2.73Å; E289-R293 VanDerWaalsContact OE1-CZ 3.27Å; E289-R293 IonicContact OE1-NE 3.67Å; E289-R293 PolarHBondContact OE1-NE 3.18Å; E289-R293 IonicContact OE1-NH1 3.34Å; E289-R293 PolarHBondContact OE1-NH1 2.81Å; E289-R293 IonicContact OE1-NH2 3.62Å; E290-R293 IonicContact OE1-CZ 3.27Å; E290-R293 IonicContact OE1-NH2 3.82Å; E290-R293 PolarHBondContact OE1-NH2 3.35Å; R293-H297 WeakPolarHBondContact O-CB 3.48Å; R293-H297 PolarHBondContact O-N 2.73Å; R293-H297 VanDerWaalsContact O-N 3.07Å; R293-R334 VanDerWaalsContact CG-NH2 3.29Å |
| 294 | S | 92.1 | Very high | 86.5 | Confident | 41 Ų | 41 | 63 Ų | 63 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 177.2 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | E290 E291 C292 A298 K313 | E290-S294 WeakPolarHBondContact O-CB 3.28Å; E290-S294 PolarHBondContact O-N 3.3Å; E290-S294 PolarHBondContact O-OG 3.45Å; E291-S294 PolarHBondContact O-N 2.91Å; C292-S294 VanDerWaalsContact C-N 3.31Å; C292-S294 PolarHBondContact O-N 3.02Å; S294-A298 VanDerWaalsContact O-CB 3.24Å; S294-A298 WeakPolarHBondContact O-CB 3.28Å; S294-A298 PolarHBondContact O-N 3.02Å; S294-K313 WeakPolarHBondContact CB-O 3.23Å |
| 295 | F | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 173.8 | 179 | -88.6 | 0 | 0 | 0 | 111.7 | W287 E291 C292 H297 A298 L299 F306 I309 V314 C322 F325 Y326 W329 | W287-F295 HydrophobicContact CH2-CD2 4.25Å; W287-F295 HydrophobicContact CZ3-CB 4.06Å; W287-F295 HydrophobicContact CZ3-CD2 4.22Å; W287-F295 HydrophobicContact CZ3-CG 4.33Å; E291-F295 WeakPolarHBondContact O-CB 3.49Å; E291-F295 PolarHBondContact O-N 3.08Å; C292-F295 WeakPolarHBondContact O-CB 3.42Å; C292-F295 PolarHBondContact O-N 3.48Å; F295-H297 PolarHBondContact O-N 2.9Å; F295-A298 CarbonylContact O-C 3.58Å; F295-A298 WeakPolarHBondContact O-CA 3.31Å; F295-A298 WeakPolarHBondContact O-CB 3.43Å; F295-A298 PolarHBondContact O-N 3.4Å; F295-L299 HydrophobicContact CE1-CD1 4.26Å; F295-L299 HydrophobicContact CZ-CD1 4.15Å; F295-L299 WeakPolarHBondContact O-CB 3.19Å; F295-L299 PolarHBondContact O-N 3.19Å; F295-F306 HydrophobicContact CE2-CD1 4.41Å; F295-F306 HydrophobicContact CE2-CE1 4.4Å; F295-F306 HydrophobicContact CZ-CE1 4.21Å; F295-I309 HydrophobicContact CD2-CG2 3.81Å; F295-I309 HydrophobicContact CE2-CG2 4.13Å; F295-V314 HydrophobicContact CB-CG2 3.97Å; F295-V314 HydrophobicContact CD2-CG2 4.37Å; F295-C322 HydrophobicContact CE2-CB 4.29Å; F295-F325 HydrophobicContact CB-CE1 4.28Å; F295-F325 AromaticContact CD1-CD1 3.87Å; F295-F325 HydrophobicContact CD1-CD1 3.87Å; F295-F325 AromaticContact CD1-CE1 3.63Å; F295-F325 HydrophobicContact CD1-CE1 3.63Å; F295-F325 HydrophobicContact CD2-CD1 4.09Å; F295-F325 HydrophobicContact CD2-CE1 4.5Å; F295-F325 AromaticContact CE1-CD1 4Å; F295-F325 HydrophobicContact CE1-CD1 4Å; F295-F325 HydrophobicContact CE1-CE1 4.07Å; F295-F325 HydrophobicContact CE2-CD1 4.21Å; F295-F325 AromaticContact CG-CD1 3.94Å; F295-F325 HydrophobicContact CG-CD1 3.94Å; F295-F325 AromaticContact CG-CE1 3.88Å; F295-F325 HydrophobicContact CG-CE1 3.88Å; F295-F325 HydrophobicContact CZ-CD1 4.17Å; F295-Y326 HydrophobicContact CE1-CD2 4.38Å; F295-Y326 HydrophobicContact CZ-CD2 4.09Å; F295-Y326 HydrophobicContact CZ-CG 4.49Å; F295-W329 HydrophobicContact CE1-CD2 4.41Å; F295-W329 HydrophobicContact CE1-CE3 4.12Å; F295-W329 HydrophobicContact CE1-CZ3 4.35Å |
| 296 | E | 92.1 | Very high | 89.9 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.1 | -50.4 | 177.9 | -73.9 | 163.6 | 162.7 | 0 | 0 | 111.5 | C292 A298 L299 M300 W329 R334 F338 | C292-E296 VanDerWaalsContact O-CG 3.28Å; C292-E296 WeakPolarHBondContact O-CG 3.27Å; C292-E296 PolarHBondContact O-N 3Å; E296-A298 VanDerWaalsContact C-N 3.26Å; E296-A298 PolarHBondContact O-N 3.08Å; E296-L299 PolarHBondContact O-N 3.48Å; E296-M300 WeakPolarHBondContact O-CG 3.18Å; E296-M300 PolarHBondContact O-N 2.72Å; E296-M300 VanDerWaalsContact O-N 3.09Å; E296-W329 HydrophobicContact CG-CZ2 3.71Å; E296-W329 PolarHBondContact OE1-NE1 3.24Å; E296-R334 WeakPolarHBondContact OE1-CD 3.35Å; E296-R334 WeakPolarHBondContact OE1-CG 3.13Å; E296-R334 IonicContact OE1-CZ 3.37Å; E296-R334 IonicContact OE1-NE 2.7Å; E296-R334 PolarHBondContact OE1-NE 2.77Å; E296-R334 IonicContact OE1-NH2 3.34Å; E296-R334 IonicContact OE2-CZ 3.97Å; E296-R334 IonicContact OE2-NE 3.5Å; E296-R334 PolarHBondContact OE2-NE 3.2Å; E296-R334 IonicContact OE2-NH2 2.88Å; E296-R334 PolarHBondContact OE2-NH2 3.47Å; E296-F338 HydrophobicContact CB-CD2 3.95Å; E296-F338 HydrophobicContact CB-CE2 3.9Å; E296-F338 HydrophobicContact CG-CD2 4.04Å; E296-F338 HydrophobicContact CG-CE2 4.36Å |
| 297 | H | 91 | Very high | 90.8 | Very high | 95 Ų | 95 | 62.8 Ų | 62.8 | 44% | 0.44 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.8 | -31.4 | 174.8 | -173.4 | -41 | 0 | 0 | 0 | 112.4 | R293 F295 L301 | R293-H297 WeakPolarHBondContact O-CB 3.48Å; R293-H297 PolarHBondContact O-N 2.73Å; R293-H297 VanDerWaalsContact O-N 3.07Å; F295-H297 PolarHBondContact O-N 2.9Å; H297-L301 WeakPolarHBondContact O-CG 3.47Å; H297-L301 PolarHBondContact O-N 3.35Å |
| 298 | A | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.8 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S294 F295 E296 M300 L301 F302 I309 K313 | S294-A298 VanDerWaalsContact O-CB 3.24Å; S294-A298 WeakPolarHBondContact O-CB 3.28Å; S294-A298 PolarHBondContact O-N 3.02Å; F295-A298 CarbonylContact O-C 3.58Å; F295-A298 WeakPolarHBondContact O-CA 3.31Å; F295-A298 WeakPolarHBondContact O-CB 3.43Å; F295-A298 PolarHBondContact O-N 3.4Å; E296-A298 VanDerWaalsContact C-N 3.26Å; E296-A298 PolarHBondContact O-N 3.08Å; A298-M300 VanDerWaalsContact C-N 3.28Å; A298-M300 PolarHBondContact O-N 3.37Å; A298-L301 PolarHBondContact O-N 2.92Å; A298-L301 VanDerWaalsContact O-N 3.16Å; A298-F302 HydrophobicContact CB-CD2 4.13Å; A298-F302 HydrophobicContact CB-CE2 4.47Å; A298-F302 WeakPolarHBondContact O-CB 3.29Å; A298-F302 WeakPolarHBondContact O-CD2 3.37Å; A298-F302 PolarHBondContact O-N 3.04Å; A298-I309 HydrophobicContact CB-CB 4Å; A298-I309 HydrophobicContact CB-CG1 3.71Å; A298-I309 HydrophobicContact CB-CG2 3.7Å; A298-K313 HydrophobicContact CB-CB 3.65Å; A298-K313 HydrophobicContact CB-CG 3.72Å |
| 299 | L | 92.4 | Very high | 91.5 | Very high | 23 Ų | 23 | 61 Ų | 61 | 12% | 0.12 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -35 | 177.4 | -161.5 | 84.2 | 0 | 0 | 0 | 111.5 | F295 E296 G303 I309 Y326 W329 F338 | F295-L299 HydrophobicContact CE1-CD1 4.26Å; F295-L299 HydrophobicContact CZ-CD1 4.15Å; F295-L299 WeakPolarHBondContact O-CB 3.19Å; F295-L299 PolarHBondContact O-N 3.19Å; E296-L299 PolarHBondContact O-N 3.48Å; L299-G303 WeakPolarHBondContact CA-O 3.16Å; L299-G303 VanDerWaalsContact CD1-O 3.31Å; L299-G303 WeakPolarHBondContact CD1-O 3.17Å; L299-G303 VanDerWaalsContact O-CA 3.28Å; L299-G303 WeakPolarHBondContact O-CA 3.33Å; L299-G303 PolarHBondContact O-N 3Å; L299-G303 VanDerWaalsContact O-N 3.12Å; L299-I309 HydrophobicContact CD1-CD1 3.97Å; L299-Y326 HydrophobicContact CD1-CD2 4.12Å; L299-Y326 HydrophobicContact CD1-CE2 4.17Å; L299-Y326 HydrophobicContact CD2-CE2 4.28Å; L299-W329 HydrophobicContact CD2-CH2 3.48Å; L299-W329 VanDerWaalsContact CD2-CH2 3.48Å; L299-W329 HydrophobicContact CD2-CZ3 3.48Å; L299-W329 VanDerWaalsContact CD2-CZ3 3.48Å; L299-F338 HydrophobicContact CD2-CE1 4.17Å; L299-F338 HydrophobicContact CD2-CZ 4.18Å |
| 300 | M | 89.7 | Confident | 91.7 | Very high | 120 Ų | 120 | 58.5 Ų | 58.5 | 59% | 0.591 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.3 | -40.2 | 172 | -65.4 | 178.8 | 83.8 | 0 | 0 | 113.1 | E296 A298 F338 T342 | E296-M300 WeakPolarHBondContact O-CG 3.18Å; E296-M300 PolarHBondContact O-N 2.72Å; E296-M300 VanDerWaalsContact O-N 3.09Å; A298-M300 VanDerWaalsContact C-N 3.28Å; A298-M300 PolarHBondContact O-N 3.37Å; M300-F338 HydrophobicContact CG-CE2 3.62Å; M300-F338 HydrophobicContact CG-CZ 3.56Å; M300-F338 HydrophobicContact SD-CE2 3.9Å; M300-F338 HydrophobicContact SD-CZ 4.37Å; M300-T342 HydrophobicContact CE-CG2 4.38Å |
| 301 | L | 90.4 | Very high | 91.9 | Very high | 104 Ų | 104 | 60.1 Ų | 60.1 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -82.2 | -34.8 | -176.6 | -75 | -176 | 0 | 0 | 0 | 114.2 | H297 A298 | H297-L301 WeakPolarHBondContact O-CG 3.47Å; H297-L301 PolarHBondContact O-N 3.35Å; A298-L301 PolarHBondContact O-N 2.92Å; A298-L301 VanDerWaalsContact O-N 3.16Å |
| 302 | F | 89.3 | Confident | 91.8 | Very high | 56 Ų | 56 | 61.9 Ų | 61.9 | 25% | 0.246 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -119.2 | 6.2 | -167.7 | -52 | -50.9 | 0 | 0 | 0 | 112.8 | A298 K304 D305 L308 I309 N312 K313 | A298-F302 HydrophobicContact CB-CD2 4.13Å; A298-F302 HydrophobicContact CB-CE2 4.47Å; A298-F302 WeakPolarHBondContact O-CB 3.29Å; A298-F302 WeakPolarHBondContact O-CD2 3.37Å; A298-F302 PolarHBondContact O-N 3.04Å; F302-K304 PolarHBondContact O-N 2.69Å; F302-D305 PolarHBondContact O-N 3.38Å; F302-L308 HydrophobicContact CB-CB 4.34Å; F302-L308 HydrophobicContact CB-CD2 4.03Å; F302-L308 HydrophobicContact CB-CG 4.27Å; F302-L308 HydrophobicContact CD1-CD2 3.41Å; F302-L308 VanDerWaalsContact CD1-CD2 3.41Å; F302-L308 HydrophobicContact CD1-CG 3.79Å; F302-L308 HydrophobicContact CD2-CG 4.23Å; F302-L308 HydrophobicContact CE1-CD2 4.02Å; F302-L308 HydrophobicContact CE1-CG 4.17Å; F302-L308 HydrophobicContact CG-CB 4.34Å; F302-L308 HydrophobicContact CG-CD2 3.78Å; F302-L308 HydrophobicContact CG-CG 3.83Å; F302-I309 HydrophobicContact CB-CG1 4.31Å; F302-I309 HydrophobicContact CD2-CG1 4.36Å; F302-N312 HydrophobicContact CE2-CB 3.74Å; F302-N312 HydrophobicContact CZ-CB 4Å; F302-N312 WeakPolarHBondContact CZ-ND2 3.2Å; F302-K313 HydrophobicContact CE2-CG 4.27Å |
| 303 | G | 89.6 | Confident | 91.7 | Very high | 37 Ų | 37 | 65 Ų | 65 | 38% | 0.381 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | -126.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L299 | L299-G303 WeakPolarHBondContact CA-O 3.16Å; L299-G303 VanDerWaalsContact CD1-O 3.31Å; L299-G303 WeakPolarHBondContact CD1-O 3.17Å; L299-G303 VanDerWaalsContact O-CA 3.28Å; L299-G303 WeakPolarHBondContact O-CA 3.33Å; L299-G303 PolarHBondContact O-N 3Å; L299-G303 VanDerWaalsContact O-N 3.12Å |
| 304 | K | 92.8 | Very high | 91.5 | Very high | 137 Ų | 137 | 59.7 Ų | 59.7 | 60% | 0.596 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 22.3 | 179.7 | -53.8 | -168.3 | -169.7 | -169.9 | 0 | 113.7 | F302 F306 Y326 | F302-K304 PolarHBondContact O-N 2.69Å; K304-F306 HydrophobicContact CB-CE2 4.23Å; K304-F306 HydrophobicContact CB-CZ 4.29Å; K304-F306 WeakPolarHBondContact O-CD2 3.32Å; K304-F306 WeakPolarHBondContact O-CE2 3.34Å; K304-F306 PolarHBondContact O-N 2.69Å; K304-Y326 WeakPolarHBondContact CE-OH 3.19Å; K304-Y326 PolarHBondContact NZ-OH 3.31Å |
| 305 | D | 93.1 | Very high | 91.3 | Very high | 70 Ų | 70 | 66.2 Ų | 66.2 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | trans | -77.1 | 89.6 | 170.3 | -173.1 | -11.8 | 0 | 0 | 0 | 110.3 | F302 H307 L308 I309 | F302-D305 PolarHBondContact O-N 3.38Å; D305-H307 PolarHBondContact O-N 3.03Å; D305-H307 WeakPolarHBondContact OD1-CB 3.13Å; D305-H307 IonicContact OD1-CG 2.68Å; D305-H307 PolarHBondContact OD1-N 2.9Å; D305-H307 IonicContact OD1-ND1 2.75Å; D305-L308 HydrophobicContact CB-CB 3.95Å; D305-L308 VanDerWaalsContact CG-CB 3.5Å; D305-L308 PolarHBondContact O-N 3.43Å; D305-L308 VanDerWaalsContact O-N 3.15Å; D305-L308 PolarHBondContact OD1-N 3.05Å; D305-L308 WeakPolarHBondContact OD2-CB 3.47Å; D305-I309 VanDerWaalsContact O-CG1 3.27Å; D305-I309 WeakPolarHBondContact O-CG1 3.34Å; D305-I309 PolarHBondContact O-N 3.29Å | ||
| 306 | F | 93.7 | Very high | 91.1 | Very high | 32 Ų | 32 | 71.3 Ų | 71.3 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63 | -24.9 | 178.9 | -59.4 | -69.9 | 0 | 0 | 0 | 113.5 | F295 K304 I309 Q310 V319 C322 V323 Y326 | F295-F306 HydrophobicContact CE2-CD1 4.41Å; F295-F306 HydrophobicContact CE2-CE1 4.4Å; F295-F306 HydrophobicContact CZ-CE1 4.21Å; K304-F306 HydrophobicContact CB-CE2 4.23Å; K304-F306 HydrophobicContact CB-CZ 4.29Å; K304-F306 WeakPolarHBondContact O-CD2 3.32Å; K304-F306 WeakPolarHBondContact O-CE2 3.34Å; K304-F306 PolarHBondContact O-N 2.69Å; F306-I309 HydrophobicContact CD1-CD1 4.06Å; F306-I309 HydrophobicContact CE1-CD1 4.45Å; F306-Q310 WeakPolarHBondContact O-CB 3.08Å; F306-Q310 PolarHBondContact O-N 2.99Å; F306-V319 HydrophobicContact CB-CG1 3.86Å; F306-C322 HydrophobicContact CD1-CB 4.43Å; F306-V323 HydrophobicContact CB-CG2 4.01Å; F306-V323 HydrophobicContact CD1-CG2 4.24Å; F306-V323 HydrophobicContact CD2-CG2 3.59Å; F306-V323 HydrophobicContact CE2-CG2 4.09Å; F306-V323 HydrophobicContact CG-CG2 3.66Å; F306-Y326 HydrophobicContact CE1-CD1 4.39Å; F306-Y326 HydrophobicContact CE1-CD2 4.19Å; F306-Y326 AromaticContact CE1-CG 3.82Å; F306-Y326 HydrophobicContact CE1-CG 3.82Å; F306-Y326 AromaticContact CZ-CD1 3.8Å; F306-Y326 HydrophobicContact CZ-CD1 3.8Å; F306-Y326 HydrophobicContact CZ-CD2 4.22Å; F306-Y326 HydrophobicContact CZ-CE1 4.4Å; F306-Y326 AromaticContact CZ-CG 3.69Å; F306-Y326 HydrophobicContact CZ-CG 3.69Å |
| 307 | H | 93.5 | Very high | 90.9 | Very high | 128 Ų | 128 | 70.9 Ų | 70.9 | 59% | 0.593 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -70.9 | -43.1 | 173.9 | -56.1 | 93 | 0 | 0 | 0 | 110.5 | D305 K311 | D305-H307 PolarHBondContact O-N 3.03Å; D305-H307 WeakPolarHBondContact OD1-CB 3.13Å; D305-H307 IonicContact OD1-CG 2.68Å; D305-H307 PolarHBondContact OD1-N 2.9Å; D305-H307 IonicContact OD1-ND1 2.75Å; H307-K311 WeakPolarHBondContact O-CB 3.36Å; H307-K311 PolarHBondContact O-N 3.29Å |
| 308 | L | 93.5 | Very high | 91 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 32% | 0.319 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -72 | -36.1 | 179.2 | -163.9 | 60 | 0 | 0 | 0 | 112.1 | F302 D305 N312 | F302-L308 HydrophobicContact CB-CB 4.34Å; F302-L308 HydrophobicContact CB-CD2 4.03Å; F302-L308 HydrophobicContact CB-CG 4.27Å; F302-L308 HydrophobicContact CD1-CD2 3.41Å; F302-L308 VanDerWaalsContact CD1-CD2 3.41Å; F302-L308 HydrophobicContact CD1-CG 3.79Å; F302-L308 HydrophobicContact CD2-CG 4.23Å; F302-L308 HydrophobicContact CE1-CD2 4.02Å; F302-L308 HydrophobicContact CE1-CG 4.17Å; F302-L308 HydrophobicContact CG-CB 4.34Å; F302-L308 HydrophobicContact CG-CD2 3.78Å; F302-L308 HydrophobicContact CG-CG 3.83Å; D305-L308 HydrophobicContact CB-CB 3.95Å; D305-L308 VanDerWaalsContact CG-CB 3.5Å; D305-L308 PolarHBondContact O-N 3.43Å; D305-L308 VanDerWaalsContact O-N 3.15Å; D305-L308 PolarHBondContact OD1-N 3.05Å; D305-L308 WeakPolarHBondContact OD2-CB 3.47Å; L308-N312 WeakPolarHBondContact CD1-ND2 3.25Å; L308-N312 VanDerWaalsContact O-CB 3.23Å; L308-N312 WeakPolarHBondContact O-CB 3.38Å; L308-N312 PolarHBondContact O-N 3.2Å; L308-N312 PolarHBondContact O-ND2 3.14Å |
| 309 | I | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.7 | -54.2 | 170.4 | -70.4 | 166.5 | 0 | 0 | 0 | 110.8 | F295 A298 L299 F302 D305 F306 N312 K313 V314 | F295-I309 HydrophobicContact CD2-CG2 3.81Å; F295-I309 HydrophobicContact CE2-CG2 4.13Å; A298-I309 HydrophobicContact CB-CB 4Å; A298-I309 HydrophobicContact CB-CG1 3.71Å; A298-I309 HydrophobicContact CB-CG2 3.7Å; L299-I309 HydrophobicContact CD1-CD1 3.97Å; F302-I309 HydrophobicContact CB-CG1 4.31Å; F302-I309 HydrophobicContact CD2-CG1 4.36Å; D305-I309 VanDerWaalsContact O-CG1 3.27Å; D305-I309 WeakPolarHBondContact O-CG1 3.34Å; D305-I309 PolarHBondContact O-N 3.29Å; F306-I309 HydrophobicContact CD1-CD1 4.06Å; F306-I309 HydrophobicContact CE1-CD1 4.45Å; I309-N312 PolarHBondContact O-N 3.44Å; I309-K313 PolarHBondContact O-N 3.24Å; I309-V314 HydrophobicContact CG2-CG2 3.98Å; I309-V314 PolarHBondContact O-N 3.46Å; I309-V314 VanDerWaalsContact O-N 3.14Å |
| 310 | Q | 93.9 | Very high | 91.1 | Very high | 52 Ų | 52 | 74 Ų | 74 | 24% | 0.243 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.4 | -49.1 | -179.2 | -172.7 | -86.9 | -6.6 | 0 | 0 | 111.1 | F306 N312 V314 R315 R317 V319 | F306-Q310 WeakPolarHBondContact O-CB 3.08Å; F306-Q310 PolarHBondContact O-N 2.99Å; Q310-N312 VanDerWaalsContact C-N 3.31Å; Q310-N312 PolarHBondContact O-N 2.9Å; Q310-V314 CarbonylContact O-C 3.4Å; Q310-V314 VanDerWaalsContact O-C 3.27Å; Q310-V314 PolarHBondContact O-N 2.8Å; Q310-R315 WeakPolarHBondContact O-CA 3.44Å; Q310-R315 WeakPolarHBondContact O-CG 3.13Å; Q310-R315 PolarHBondContact O-N 3.5Å; Q310-R317 WeakPolarHBondContact CG-O 3.03Å; Q310-R317 PolarHBondContact NE2-O 3.05Å; Q310-V319 HydrophobicContact CB-CG2 4.07Å; Q310-V319 HydrophobicContact CG-CG2 4.06Å |
| 311 | K | 91.8 | Very high | 91.2 | Very high | 138 Ų | 138 | 70.3 Ų | 70.3 | 60% | 0.6 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.2 | -29.1 | -178.5 | -174.6 | 175 | -178.8 | 178.1 | 0 | 114.2 | H307 R315 | H307-K311 WeakPolarHBondContact O-CB 3.36Å; H307-K311 PolarHBondContact O-N 3.29Å; K311-R315 VanDerWaalsContact O-CZ 3.31Å; K311-R315 PolarHBondContact O-NE 3.34Å; K311-R315 PolarHBondContact O-NH2 2.86Å |
| 312 | N | 89.9 | Confident | 91.3 | Very high | 57 Ų | 57 | 65.4 Ų | 65.4 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -106.1 | -31.1 | -173.9 | -68.8 | -20.6 | 0 | 0 | 0 | 115 | F302 L308 I309 Q310 | F302-N312 HydrophobicContact CE2-CB 3.74Å; F302-N312 HydrophobicContact CZ-CB 4Å; F302-N312 WeakPolarHBondContact CZ-ND2 3.2Å; L308-N312 WeakPolarHBondContact CD1-ND2 3.25Å; L308-N312 VanDerWaalsContact O-CB 3.23Å; L308-N312 WeakPolarHBondContact O-CB 3.38Å; L308-N312 PolarHBondContact O-N 3.2Å; L308-N312 PolarHBondContact O-ND2 3.14Å; I309-N312 PolarHBondContact O-N 3.44Å; Q310-N312 VanDerWaalsContact C-N 3.31Å; Q310-N312 PolarHBondContact O-N 2.9Å |
| 313 | K | 87.2 | Confident | 91.5 | Very high | 80 Ų | 80 | 65.1 Ų | 65.1 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.4 | -29.2 | -166.4 | -70.1 | -74.9 | -173.5 | 164.1 | 0 | 114.3 | S294 A298 F302 I309 | S294-K313 WeakPolarHBondContact CB-O 3.23Å; A298-K313 HydrophobicContact CB-CB 3.65Å; A298-K313 HydrophobicContact CB-CG 3.72Å; F302-K313 HydrophobicContact CE2-CG 4.27Å; I309-K313 PolarHBondContact O-N 3.24Å |
| 314 | V | 87.8 | Confident | 91.6 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | trans | -125 | 55.3 | -177.1 | -159.1 | 0 | 0 | 0 | 0 | 111.2 | W287 F295 I309 Q310 T316 R317 | W287-V314 HydrophobicContact CH2-CG1 3.85Å; W287-V314 HydrophobicContact CZ3-CG1 3.8Å; F295-V314 HydrophobicContact CB-CG2 3.97Å; F295-V314 HydrophobicContact CD2-CG2 4.37Å; I309-V314 HydrophobicContact CG2-CG2 3.98Å; I309-V314 PolarHBondContact O-N 3.46Å; I309-V314 VanDerWaalsContact O-N 3.14Å; Q310-V314 CarbonylContact O-C 3.4Å; Q310-V314 VanDerWaalsContact O-C 3.27Å; Q310-V314 PolarHBondContact O-N 2.8Å; V314-T316 PolarHBondContact O-N 3.34Å; V314-R317 HydrophobicContact CG1-CB 3.87Å; V314-R317 HydrophobicContact CG1-CG 3.55Å; V314-R317 PolarHBondContact O-N 2.76Å | ||
| 315 | R | 87.5 | Confident | 91.5 | Very high | 179 Ų | 179 | 60.3 Ų | 60.3 | 68% | 0.675 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -15.7 | -174.4 | -67.5 | 179.3 | 178 | 140.4 | 7.7 | 114.7 | Q310 K311 R317 | Q310-R315 WeakPolarHBondContact O-CA 3.44Å; Q310-R315 WeakPolarHBondContact O-CG 3.13Å; Q310-R315 PolarHBondContact O-N 3.5Å; K311-R315 VanDerWaalsContact O-CZ 3.31Å; K311-R315 PolarHBondContact O-NE 3.34Å; K311-R315 PolarHBondContact O-NH2 2.86Å; R315-R317 PolarHBondContact O-N 2.88Å |
| 316 | T | 87.7 | Confident | 91.5 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 66% | 0.656 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -13.6 | 174.6 | 39.5 | 0 | 0 | 0 | 0 | 113.1 | E291 V314 | E291-T316 WeakPolarHBondContact OE1-CB 3.38Å; E291-T316 PolarHBondContact OE1-OG1 2.84Å; V314-T316 PolarHBondContact O-N 3.34Å |
| 317 | R | 89.7 | Confident | 91.4 | Very high | 12 Ų | 12 | 63.5 Ų | 63.5 | 5% | 0.045 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -118.8 | 158.1 | -172.9 | -58 | -65.1 | 175.7 | 160 | 3.1 | 111.6 | T285 W287 E291 Q310 V314 R315 E321 | T285-R317 PolarHBondContact O-NH1 3.31Å; T285-R317 PolarHBondContact O-NH2 2.8Å; T285-R317 PolarHBondContact OG1-NH1 2.96Å; T285-R317 PolarHBondContact OG1-NH2 2.85Å; W287-R317 HydrophobicContact CH2-CB 4.47Å; W287-R317 HydrophobicContact CH2-CG 4.03Å; W287-R317 HydrophobicContact CZ2-CB 4.33Å; W287-R317 HydrophobicContact CZ2-CG 3.83Å; E291-R317 IonicContact OE1-CZ 2.69Å; E291-R317 IonicContact OE1-NE 3.82Å; E291-R317 PolarHBondContact OE1-NE 3Å; E291-R317 IonicContact OE1-NH2 3.76Å; E291-R317 IonicContact OE2-CZ 3.13Å; E291-R317 IonicContact OE2-NE 2.69Å; E291-R317 PolarHBondContact OE2-NE 3.31Å; E291-R317 IonicContact OE2-NH2 3.83Å; E291-R317 PolarHBondContact OE2-NH2 2.98Å; Q310-R317 WeakPolarHBondContact CG-O 3.03Å; Q310-R317 PolarHBondContact NE2-O 3.05Å; V314-R317 HydrophobicContact CG1-CB 3.87Å; V314-R317 HydrophobicContact CG1-CG 3.55Å; V314-R317 PolarHBondContact O-N 2.76Å; R315-R317 PolarHBondContact O-N 2.88Å; R317-E321 HydrophobicContact CB-CB 4.21Å; R317-E321 WeakPolarHBondContact CD-OE1 3.48Å; R317-E321 IonicContact CZ-OE1 3.37Å; R317-E321 IonicContact NE-OE1 3.52Å; R317-E321 IonicContact NH1-OE1 2.7Å; R317-E321 PolarHBondContact NH1-OE1 3.06Å |
| 318 | T | 92.5 | Very high | 91 | Very high | 72 Ų | 72 | 64 Ų | 64 | 44% | 0.442 | 33% | 0.325 | S | S | . | . | trans | -79.9 | 162.3 | 167.8 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | A320 E321 C322 | T318-A320 PolarHBondContact O-N 3.3Å; T318-E321 WeakPolarHBondContact CB-OE2 3.45Å; T318-E321 WeakPolarHBondContact CG2-OE2 3.35Å; T318-E321 PolarHBondContact N-OE2 3.48Å; T318-E321 PolarHBondContact O-N 3.44Å; T318-E321 WeakPolarHBondContact OG1-CB 3.41Å; T318-E321 VanDerWaalsContact OG1-CG 3.28Å; T318-E321 WeakPolarHBondContact OG1-CG 3.35Å; T318-E321 PolarHBondContact OG1-N 2.83Å; T318-E321 VanDerWaalsContact OG1-N 3.13Å; T318-E321 PolarHBondContact OG1-OE2 3.09Å; T318-C322 PolarHBondContact O-N 2.83Å; T318-C322 PolarHBondContact O-SG 3.12Å; T318-C322 VanDerWaalsContact O-SG 3.37Å | ||
| 319 | V | 94.1 | Very high | 90.8 | Very high | 39 Ų | 39 | 61.4 Ų | 61.4 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.4 | -34.9 | 174.1 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | F306 Q310 C322 V323 | F306-V319 HydrophobicContact CB-CG1 3.86Å; Q310-V319 HydrophobicContact CB-CG2 4.07Å; Q310-V319 HydrophobicContact CG-CG2 4.06Å; V319-C322 PolarHBondContact O-N 2.81Å; V319-V323 WeakPolarHBondContact O-CG2 3.39Å; V319-V323 PolarHBondContact O-N 3.16Å |
| 320 | A | 93.1 | Very high | 90.6 | Very high | 73 Ų | 73 | 66.1 Ų | 66.1 | 60% | 0.603 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.2 | -47.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | T318 C322 V323 A324 | T318-A320 PolarHBondContact O-N 3.3Å; A320-C322 VanDerWaalsContact C-N 3.32Å; A320-C322 PolarHBondContact O-N 3.42Å; A320-V323 PolarHBondContact O-N 2.82Å; A320-A324 WeakPolarHBondContact O-CB 3.24Å; A320-A324 PolarHBondContact O-N 3.23Å |
| 321 | E | 91.3 | Very high | 90.2 | Very high | 42 Ų | 42 | 72.4 Ų | 72.4 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 173.2 | -74.2 | 167.8 | 92.5 | 0 | 0 | 112.2 | M284 W287 R317 T318 V323 A324 F325 | M284-E321 HydrophobicContact CE-CB 4.21Å; M284-E321 HydrophobicContact CE-CG 4.17Å; M284-E321 HydrophobicContact SD-CB 4.45Å; M284-E321 HydrophobicContact SD-CG 3.82Å; W287-E321 HydrophobicContact CZ2-CB 4.31Å; R317-E321 HydrophobicContact CB-CB 4.21Å; R317-E321 WeakPolarHBondContact CD-OE1 3.48Å; R317-E321 IonicContact CZ-OE1 3.37Å; R317-E321 IonicContact NE-OE1 3.52Å; R317-E321 IonicContact NH1-OE1 2.7Å; R317-E321 PolarHBondContact NH1-OE1 3.06Å; T318-E321 WeakPolarHBondContact CB-OE2 3.45Å; T318-E321 WeakPolarHBondContact CG2-OE2 3.35Å; T318-E321 PolarHBondContact N-OE2 3.48Å; T318-E321 PolarHBondContact O-N 3.44Å; T318-E321 WeakPolarHBondContact OG1-CB 3.41Å; T318-E321 VanDerWaalsContact OG1-CG 3.28Å; T318-E321 WeakPolarHBondContact OG1-CG 3.35Å; T318-E321 PolarHBondContact OG1-N 2.83Å; T318-E321 VanDerWaalsContact OG1-N 3.13Å; T318-E321 PolarHBondContact OG1-OE2 3.09Å; E321-V323 VanDerWaalsContact C-N 3.33Å; E321-V323 PolarHBondContact O-N 3.24Å; E321-A324 PolarHBondContact O-N 3.48Å; E321-F325 WeakPolarHBondContact O-CB 3.27Å; E321-F325 PolarHBondContact O-N 3.33Å |
| 322 | C | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 176.2 | -68.4 | 0 | 0 | 0 | 0 | 112.9 | F295 F306 T318 V319 A320 Y326 | F295-C322 HydrophobicContact CE2-CB 4.29Å; F306-C322 HydrophobicContact CD1-CB 4.43Å; T318-C322 PolarHBondContact O-N 2.83Å; T318-C322 PolarHBondContact O-SG 3.12Å; T318-C322 VanDerWaalsContact O-SG 3.37Å; V319-C322 PolarHBondContact O-N 2.81Å; A320-C322 VanDerWaalsContact C-N 3.32Å; A320-C322 PolarHBondContact O-N 3.42Å; C322-Y326 WeakPolarHBondContact O-CB 3.49Å; C322-Y326 PolarHBondContact O-N 2.86Å |
| 323 | V | 94.1 | Very high | 89.3 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 30% | 0.303 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -72.3 | -44.7 | 175.1 | 173 | 0 | 0 | 0 | 0 | 111.1 | F306 V319 A320 E321 Y326 Y327 | F306-V323 HydrophobicContact CB-CG2 4.01Å; F306-V323 HydrophobicContact CD1-CG2 4.24Å; F306-V323 HydrophobicContact CD2-CG2 3.59Å; F306-V323 HydrophobicContact CE2-CG2 4.09Å; F306-V323 HydrophobicContact CG-CG2 3.66Å; V319-V323 WeakPolarHBondContact O-CG2 3.39Å; V319-V323 PolarHBondContact O-N 3.16Å; A320-V323 PolarHBondContact O-N 2.82Å; E321-V323 VanDerWaalsContact C-N 3.33Å; E321-V323 PolarHBondContact O-N 3.24Å; V323-Y326 WeakPolarHBondContact O-CB 3.26Å; V323-Y326 PolarHBondContact O-N 2.76Å; V323-Y327 HydrophobicContact CG1-CD2 4.16Å; V323-Y327 HydrophobicContact CG1-CE2 3.98Å; V323-Y327 VanDerWaalsContact O-CD2 3.3Å; V323-Y327 WeakPolarHBondContact O-CD2 3.32Å; V323-Y327 PolarHBondContact O-N 2.89Å |
| 324 | A | 91.2 | Very high | 89.1 | Confident | 49 Ų | 49 | 71.1 Ų | 71.1 | 41% | 0.405 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A320 E321 Y326 Y327 M328 | A320-A324 WeakPolarHBondContact O-CB 3.24Å; A320-A324 PolarHBondContact O-N 3.23Å; E321-A324 PolarHBondContact O-N 3.48Å; A324-Y326 VanDerWaalsContact C-N 3.35Å; A324-Y326 PolarHBondContact O-N 2.73Å; A324-Y327 PolarHBondContact O-N 2.81Å; A324-M328 WeakPolarHBondContact O-CG 3.5Å; A324-M328 PolarHBondContact O-N 2.99Å |
| 325 | F | 90.7 | Very high | 89 | Confident | 25 Ų | 25 | 74 Ų | 74 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 174.9 | -178.6 | -100 | 0 | 0 | 0 | 111.8 | W287 C292 F295 E321 Y327 M328 W329 | W287-F325 HydrophobicContact CB-CD2 4.33Å; W287-F325 HydrophobicContact CB-CE2 4Å; W287-F325 AromaticContact CD1-CD2 3.94Å; W287-F325 HydrophobicContact CD2-CB 4.25Å; W287-F325 HydrophobicContact CD2-CD1 4.24Å; W287-F325 AromaticContact CD2-CD2 3.4Å; W287-F325 HydrophobicContact CD2-CD2 3.4Å; W287-F325 VanDerWaalsContact CD2-CD2 3.4Å; W287-F325 AromaticContact CD2-CE2 3.73Å; W287-F325 HydrophobicContact CD2-CE2 3.73Å; W287-F325 AromaticContact CD2-CG 3.69Å; W287-F325 HydrophobicContact CD2-CG 3.69Å; W287-F325 HydrophobicContact CD2-CZ 4.28Å; W287-F325 AromaticContact CE2-CD2 3.63Å; W287-F325 AromaticContact CE2-CG 3.62Å; W287-F325 AromaticContact CE3-CD1 3.86Å; W287-F325 HydrophobicContact CE3-CD1 3.86Å; W287-F325 AromaticContact CE3-CD2 3.8Å; W287-F325 HydrophobicContact CE3-CD2 3.8Å; W287-F325 AromaticContact CE3-CE1 3.92Å; W287-F325 HydrophobicContact CE3-CE1 3.92Å; W287-F325 AromaticContact CE3-CE2 3.86Å; W287-F325 HydrophobicContact CE3-CE2 3.86Å; W287-F325 AromaticContact CE3-CG 3.81Å; W287-F325 HydrophobicContact CE3-CG 3.81Å; W287-F325 AromaticContact CE3-CZ 3.92Å; W287-F325 HydrophobicContact CE3-CZ 3.92Å; W287-F325 AromaticContact CG-CD2 3.64Å; W287-F325 HydrophobicContact CG-CD2 3.64Å; W287-F325 AromaticContact CG-CE2 3.79Å; W287-F325 HydrophobicContact CG-CE2 3.79Å; W287-F325 HydrophobicContact CG-CG 4.39Å; W287-F325 HydrophobicContact CH2-CB 3.82Å; W287-F325 AromaticContact CH2-CD1 3.85Å; W287-F325 HydrophobicContact CH2-CD1 3.85Å; W287-F325 AromaticContact CH2-CG 3.8Å; W287-F325 HydrophobicContact CH2-CG 3.8Å; W287-F325 HydrophobicContact CZ2-CB 3.41Å; W287-F325 VanDerWaalsContact CZ2-CB 3.41Å; W287-F325 HydrophobicContact CZ2-CD1 4.23Å; W287-F325 HydrophobicContact CZ2-CD2 4.2Å; W287-F325 AromaticContact CZ2-CG 3.69Å; W287-F325 HydrophobicContact CZ2-CG 3.69Å; W287-F325 HydrophobicContact CZ3-CB 4.4Å; W287-F325 AromaticContact CZ3-CD1 3.66Å; W287-F325 HydrophobicContact CZ3-CD1 3.66Å; W287-F325 HydrophobicContact CZ3-CD2 4.34Å; W287-F325 AromaticContact CZ3-CE1 3.98Å; W287-F325 HydrophobicContact CZ3-CE1 3.98Å; W287-F325 AromaticContact CZ3-CG 3.87Å; W287-F325 HydrophobicContact CZ3-CG 3.87Å; W287-F325 HydrophobicContact CZ3-CZ 4.45Å; W287-F325 AromaticContact NE1-CD2 3.93Å; C292-F325 HydrophobicContact CB-CZ 4.35Å; C292-F325 VanDerWaalsContact SG-CZ 3.56Å; F295-F325 HydrophobicContact CB-CE1 4.28Å; F295-F325 AromaticContact CD1-CD1 3.87Å; F295-F325 HydrophobicContact CD1-CD1 3.87Å; F295-F325 AromaticContact CD1-CE1 3.63Å; F295-F325 HydrophobicContact CD1-CE1 3.63Å; F295-F325 HydrophobicContact CD2-CD1 4.09Å; F295-F325 HydrophobicContact CD2-CE1 4.5Å; F295-F325 AromaticContact CE1-CD1 4Å; F295-F325 HydrophobicContact CE1-CD1 4Å; F295-F325 HydrophobicContact CE1-CE1 4.07Å; F295-F325 HydrophobicContact CE2-CD1 4.21Å; F295-F325 AromaticContact CG-CD1 3.94Å; F295-F325 HydrophobicContact CG-CD1 3.94Å; F295-F325 AromaticContact CG-CE1 3.88Å; F295-F325 HydrophobicContact CG-CE1 3.88Å; F295-F325 HydrophobicContact CZ-CD1 4.17Å; E321-F325 WeakPolarHBondContact O-CB 3.27Å; E321-F325 PolarHBondContact O-N 3.33Å; F325-Y327 VanDerWaalsContact C-N 3.33Å; F325-Y327 PolarHBondContact O-N 3.05Å; F325-M328 PolarHBondContact O-N 3.1Å; F325-W329 HydrophobicContact CD1-CB 4.17Å; F325-W329 HydrophobicContact CE1-CB 3.8Å; F325-W329 AromaticContact CE1-CG 3.96Å; F325-W329 HydrophobicContact CE1-CG 3.96Å; F325-W329 HydrophobicContact CE2-CB 4.34Å; F325-W329 HydrophobicContact CZ-CB 3.89Å; F325-W329 AromaticContact CZ-CD1 3.96Å; F325-W329 HydrophobicContact CZ-CG 4.12Å; F325-W329 WeakPolarHBondContact O-CB 3.2Å; F325-W329 PolarHBondContact O-N 2.86Å |
| 326 | Y | 91.9 | Very high | 88.8 | Confident | 16 Ų | 16 | 69 Ų | 69 | 6% | 0.063 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -53 | -48.2 | 176.4 | 176.2 | -109.6 | 0 | 0 | 0 | 112.7 | F295 L299 K304 F306 C322 V323 A324 W329 K330 | F295-Y326 HydrophobicContact CE1-CD2 4.38Å; F295-Y326 HydrophobicContact CZ-CD2 4.09Å; F295-Y326 HydrophobicContact CZ-CG 4.49Å; L299-Y326 HydrophobicContact CD1-CD2 4.12Å; L299-Y326 HydrophobicContact CD1-CE2 4.17Å; L299-Y326 HydrophobicContact CD2-CE2 4.28Å; K304-Y326 WeakPolarHBondContact CE-OH 3.19Å; K304-Y326 PolarHBondContact NZ-OH 3.31Å; F306-Y326 HydrophobicContact CE1-CD1 4.39Å; F306-Y326 HydrophobicContact CE1-CD2 4.19Å; F306-Y326 AromaticContact CE1-CG 3.82Å; F306-Y326 HydrophobicContact CE1-CG 3.82Å; F306-Y326 AromaticContact CZ-CD1 3.8Å; F306-Y326 HydrophobicContact CZ-CD1 3.8Å; F306-Y326 HydrophobicContact CZ-CD2 4.22Å; F306-Y326 HydrophobicContact CZ-CE1 4.4Å; F306-Y326 AromaticContact CZ-CG 3.69Å; F306-Y326 HydrophobicContact CZ-CG 3.69Å; C322-Y326 WeakPolarHBondContact O-CB 3.49Å; C322-Y326 PolarHBondContact O-N 2.86Å; V323-Y326 WeakPolarHBondContact O-CB 3.26Å; V323-Y326 PolarHBondContact O-N 2.76Å; A324-Y326 VanDerWaalsContact C-N 3.35Å; A324-Y326 PolarHBondContact O-N 2.73Å; Y326-W329 HydrophobicContact CD2-CE3 4.19Å; Y326-W329 HydrophobicContact CD2-CZ3 4.19Å; Y326-W329 HydrophobicContact CE2-CE3 4.48Å; Y326-W329 HydrophobicContact CE2-CZ3 4.13Å; Y326-K330 WeakPolarHBondContact O-CB 3.08Å; Y326-K330 PolarHBondContact O-N 3.32Å |
| 327 | Y | 91.4 | Very high | 88.6 | Confident | 153 Ų | 153 | 70.7 Ų | 70.7 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -71.9 | -29.2 | -178.2 | -76.4 | -73.9 | 0 | 0 | 0 | 113.5 | V323 A324 F325 | V323-Y327 HydrophobicContact CG1-CD2 4.16Å; V323-Y327 HydrophobicContact CG1-CE2 3.98Å; V323-Y327 VanDerWaalsContact O-CD2 3.3Å; V323-Y327 WeakPolarHBondContact O-CD2 3.32Å; V323-Y327 PolarHBondContact O-N 2.89Å; A324-Y327 PolarHBondContact O-N 2.81Å; F325-Y327 VanDerWaalsContact C-N 3.33Å; F325-Y327 PolarHBondContact O-N 3.05Å |
| 328 | M | 86.8 | Confident | 88.4 | Confident | 137 Ų | 137 | 71.3 Ų | 71.3 | 68% | 0.675 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -76.7 | -48.9 | 174.2 | -66.8 | -59.4 | -69.6 | 0 | 0 | 112.1 | A324 F325 K330 K331 | A324-M328 WeakPolarHBondContact O-CG 3.5Å; A324-M328 PolarHBondContact O-N 2.99Å; F325-M328 PolarHBondContact O-N 3.1Å; M328-K330 VanDerWaalsContact C-N 3.28Å; M328-K330 PolarHBondContact O-N 2.74Å; M328-K331 PolarHBondContact O-N 3.5Å |
| 329 | W | 88.9 | Confident | 88 | Confident | 8 Ų | 8 | 68.6 Ų | 68.6 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.3 | -39.2 | 176.6 | 169.2 | 84.7 | 0 | 0 | 0 | 111.7 | F295 E296 L299 F325 Y326 K331 S332 Y335 F338 | F295-W329 HydrophobicContact CE1-CD2 4.41Å; F295-W329 HydrophobicContact CE1-CE3 4.12Å; F295-W329 HydrophobicContact CE1-CZ3 4.35Å; E296-W329 HydrophobicContact CG-CZ2 3.71Å; E296-W329 PolarHBondContact OE1-NE1 3.24Å; L299-W329 HydrophobicContact CD2-CH2 3.48Å; L299-W329 VanDerWaalsContact CD2-CH2 3.48Å; L299-W329 HydrophobicContact CD2-CZ3 3.48Å; L299-W329 VanDerWaalsContact CD2-CZ3 3.48Å; F325-W329 HydrophobicContact CD1-CB 4.17Å; F325-W329 HydrophobicContact CE1-CB 3.8Å; F325-W329 AromaticContact CE1-CG 3.96Å; F325-W329 HydrophobicContact CE1-CG 3.96Å; F325-W329 HydrophobicContact CE2-CB 4.34Å; F325-W329 HydrophobicContact CZ-CB 3.89Å; F325-W329 AromaticContact CZ-CD1 3.96Å; F325-W329 HydrophobicContact CZ-CG 4.12Å; F325-W329 WeakPolarHBondContact O-CB 3.2Å; F325-W329 PolarHBondContact O-N 2.86Å; Y326-W329 HydrophobicContact CD2-CE3 4.19Å; Y326-W329 HydrophobicContact CD2-CZ3 4.19Å; Y326-W329 HydrophobicContact CE2-CE3 4.48Å; Y326-W329 HydrophobicContact CE2-CZ3 4.13Å; W329-K331 PolarHBondContact O-N 3.29Å; W329-S332 WeakPolarHBondContact O-CB 3.25Å; W329-S332 PolarHBondContact O-N 2.92Å; W329-Y335 HydrophobicContact CE3-CD2 4.05Å; W329-Y335 AromaticContact CH2-CD2 3.65Å; W329-Y335 HydrophobicContact CH2-CD2 3.65Å; W329-Y335 HydrophobicContact CH2-CE2 4.41Å; W329-Y335 HydrophobicContact CZ2-CD2 4.2Å; W329-Y335 AromaticContact CZ3-CD2 3.56Å; W329-Y335 HydrophobicContact CZ3-CD2 3.56Å; W329-Y335 HydrophobicContact CZ3-CE2 4.25Å; W329-Y335 WeakPolarHBondContact O-CB 3.49Å; W329-F338 HydrophobicContact CH2-CB 4.48Å; W329-F338 AromaticContact CH2-CD1 3.53Å; W329-F338 HydrophobicContact CH2-CD1 3.53Å; W329-F338 HydrophobicContact CH2-CD2 4.42Å; W329-F338 AromaticContact CH2-CE1 3.76Å; W329-F338 HydrophobicContact CH2-CE1 3.76Å; W329-F338 AromaticContact CH2-CG 3.9Å; W329-F338 HydrophobicContact CH2-CG 3.9Å; W329-F338 HydrophobicContact CH2-CZ 4.28Å; W329-F338 HydrophobicContact CZ2-CB 3.85Å; W329-F338 AromaticContact CZ2-CD1 3.75Å; W329-F338 HydrophobicContact CZ2-CD1 3.75Å; W329-F338 HydrophobicContact CZ2-CD2 4.03Å; W329-F338 HydrophobicContact CZ2-CE1 4.3Å; W329-F338 AromaticContact CZ2-CG 3.6Å; W329-F338 HydrophobicContact CZ2-CG 3.6Å |
| 330 | K | 88.1 | Confident | 87.4 | Confident | 98 Ų | 98 | 73.1 Ų | 73.1 | 43% | 0.426 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -0.9 | 175.5 | -159.8 | -135.4 | 170.6 | -163.7 | 0 | 114.6 | Y326 M328 Y335 | Y326-K330 WeakPolarHBondContact O-CB 3.08Å; Y326-K330 PolarHBondContact O-N 3.32Å; M328-K330 VanDerWaalsContact C-N 3.28Å; M328-K330 PolarHBondContact O-N 2.74Å; K330-Y335 HydrophobicContact CB-CD2 4.33Å; K330-Y335 HydrophobicContact CB-CG 4.4Å; K330-Y335 HydrophobicContact CG-CD1 4.16Å; K330-Y335 HydrophobicContact CG-CD2 3.87Å; K330-Y335 HydrophobicContact CG-CE1 4.04Å; K330-Y335 HydrophobicContact CG-CE2 3.72Å; K330-Y335 HydrophobicContact CG-CG 4.08Å |
| 331 | K | 86.3 | Confident | 86.7 | Confident | 184 Ų | 184 | 74 Ų | 74 | 80% | 0.8 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 7.3 | 169.5 | -66.2 | -177.1 | 175.7 | -176.7 | 0 | 113 | M328 W329 | M328-K331 PolarHBondContact O-N 3.5Å; W329-K331 PolarHBondContact O-N 3.29Å |
| 332 | S | 81 | Confident | 85.8 | Confident | 44 Ų | 44 | 75.3 Ų | 75.3 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -102 | 146.9 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | W329 R334 Y335 D336 | W329-S332 WeakPolarHBondContact O-CB 3.25Å; W329-S332 PolarHBondContact O-N 2.92Å; S332-R334 PolarHBondContact O-N 3.48Å; S332-R334 PolarHBondContact OG-N 3.12Å; S332-Y335 WeakPolarHBondContact O-CA 3.36Å; S332-Y335 WeakPolarHBondContact O-CB 3.5Å; S332-Y335 PolarHBondContact O-N 2.79Å; S332-D336 PolarHBondContact O-N 2.79Å |
| 333 | E | 82.4 | Confident | 84.4 | Confident | 125 Ų | 125 | 82.9 Ų | 82.9 | 58% | 0.584 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -46.9 | -29.3 | 168.4 | -57 | 173.1 | 162.9 | 0 | 0 | 112.6 | I243 Y335 D336 Y337 | I243-E333 HydrophobicContact CD1-CG 4.32Å; I243-E333 WeakPolarHBondContact CD1-OE1 3.4Å; E333-Y335 VanDerWaalsContact C-N 3.35Å; E333-Y335 PolarHBondContact O-N 2.75Å; E333-D336 PolarHBondContact O-N 3Å; E333-D336 VanDerWaalsContact O-N 3.12Å; E333-Y337 PolarHBondContact O-N 2.76Å |
| 334 | R | 82.7 | Confident | 82.2 | Confident | 80 Ų | 80 | 90.1 Ų | 90.1 | 30% | 0.302 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.6 | -35.9 | 175.8 | -170.1 | 174 | 176.5 | 115.2 | 12.1 | 112.9 | R293 E296 S332 F338 | R293-R334 VanDerWaalsContact CG-NH2 3.29Å; E296-R334 WeakPolarHBondContact OE1-CD 3.35Å; E296-R334 WeakPolarHBondContact OE1-CG 3.13Å; E296-R334 IonicContact OE1-CZ 3.37Å; E296-R334 IonicContact OE1-NE 2.7Å; E296-R334 PolarHBondContact OE1-NE 2.77Å; E296-R334 IonicContact OE1-NH2 3.34Å; E296-R334 IonicContact OE2-CZ 3.97Å; E296-R334 IonicContact OE2-NE 3.5Å; E296-R334 PolarHBondContact OE2-NE 3.2Å; E296-R334 IonicContact OE2-NH2 2.88Å; E296-R334 PolarHBondContact OE2-NH2 3.47Å; S332-R334 PolarHBondContact O-N 3.48Å; S332-R334 PolarHBondContact OG-N 3.12Å; R334-F338 VanDerWaalsContact O-CB 3.32Å; R334-F338 WeakPolarHBondContact O-CB 3.37Å; R334-F338 PolarHBondContact O-N 2.95Å |
| 335 | Y | 85.1 | Confident | 80.3 | Confident | 61 Ų | 61 | 90.3 Ų | 90.3 | 24% | 0.239 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 170.1 | 164.2 | -95.8 | 0 | 0 | 0 | 111.5 | W329 K330 S332 E333 F338 A339 | W329-Y335 HydrophobicContact CE3-CD2 4.05Å; W329-Y335 AromaticContact CH2-CD2 3.65Å; W329-Y335 HydrophobicContact CH2-CD2 3.65Å; W329-Y335 HydrophobicContact CH2-CE2 4.41Å; W329-Y335 HydrophobicContact CZ2-CD2 4.2Å; W329-Y335 AromaticContact CZ3-CD2 3.56Å; W329-Y335 HydrophobicContact CZ3-CD2 3.56Å; W329-Y335 HydrophobicContact CZ3-CE2 4.25Å; W329-Y335 WeakPolarHBondContact O-CB 3.49Å; K330-Y335 HydrophobicContact CB-CD2 4.33Å; K330-Y335 HydrophobicContact CB-CG 4.4Å; K330-Y335 HydrophobicContact CG-CD1 4.16Å; K330-Y335 HydrophobicContact CG-CD2 3.87Å; K330-Y335 HydrophobicContact CG-CE1 4.04Å; K330-Y335 HydrophobicContact CG-CE2 3.72Å; K330-Y335 HydrophobicContact CG-CG 4.08Å; S332-Y335 WeakPolarHBondContact O-CA 3.36Å; S332-Y335 WeakPolarHBondContact O-CB 3.5Å; S332-Y335 PolarHBondContact O-N 2.79Å; E333-Y335 VanDerWaalsContact C-N 3.35Å; E333-Y335 PolarHBondContact O-N 2.75Å; Y335-F338 CarbonylContact O-C 3.6Å; Y335-F338 PolarHBondContact O-N 3.26Å; Y335-A339 HydrophobicContact CE1-CB 4.42Å; Y335-A339 WeakPolarHBondContact O-CB 3.16Å; Y335-A339 PolarHBondContact O-N 2.97Å |
| 336 | D | 83.2 | Confident | 78.4 | Confident | 75 Ų | 75 | 98.8 Ų | 98.8 | 40% | 0.401 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 178.8 | -59.2 | -51.5 | 0 | 0 | 0 | 111 | S332 E333 F338 A339 Q340 | S332-D336 PolarHBondContact O-N 2.79Å; E333-D336 PolarHBondContact O-N 3Å; E333-D336 VanDerWaalsContact O-N 3.12Å; D336-F338 PolarHBondContact O-N 2.62Å; D336-A339 PolarHBondContact O-N 3.33Å; D336-Q340 WeakPolarHBondContact O-CB 3.5Å; D336-Q340 VanDerWaalsContact O-CG 3.25Å; D336-Q340 WeakPolarHBondContact O-CG 3.49Å; D336-Q340 PolarHBondContact O-N 2.83Å |
| 337 | Y | 84.1 | Confident | 76.4 | Confident | 141 Ų | 141 | 108.1 Ų | 108.1 | 55% | 0.553 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63 | -39.7 | 171.6 | -178.8 | -121.6 | 0 | 0 | 0 | 112.7 | E333 Q341 | E333-Y337 PolarHBondContact O-N 2.76Å; Y337-Q341 HydrophobicContact CD2-CG 4.48Å; Y337-Q341 HydrophobicContact CE2-CG 4.07Å; Y337-Q341 VanDerWaalsContact CZ-CD 3.46Å; Y337-Q341 WeakPolarHBondContact O-CG 3.26Å; Y337-Q341 PolarHBondContact O-N 3.26Å; Y337-Q341 VanDerWaalsContact O-N 3.08Å; Y337-Q341 PolarHBondContact O-NE2 3.27Å |
| 338 | F | 85.1 | Confident | 74.4 | Confident | 25 Ų | 25 | 111.9 Ų | 111.9 | 11% | 0.11 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 172.6 | 172.4 | -87 | 0 | 0 | 0 | 112 | E296 L299 M300 W329 R334 Y335 D336 T342 | E296-F338 HydrophobicContact CB-CD2 3.95Å; E296-F338 HydrophobicContact CB-CE2 3.9Å; E296-F338 HydrophobicContact CG-CD2 4.04Å; E296-F338 HydrophobicContact CG-CE2 4.36Å; L299-F338 HydrophobicContact CD2-CE1 4.17Å; L299-F338 HydrophobicContact CD2-CZ 4.18Å; M300-F338 HydrophobicContact CG-CE2 3.62Å; M300-F338 HydrophobicContact CG-CZ 3.56Å; M300-F338 HydrophobicContact SD-CE2 3.9Å; M300-F338 HydrophobicContact SD-CZ 4.37Å; W329-F338 HydrophobicContact CH2-CB 4.48Å; W329-F338 AromaticContact CH2-CD1 3.53Å; W329-F338 HydrophobicContact CH2-CD1 3.53Å; W329-F338 HydrophobicContact CH2-CD2 4.42Å; W329-F338 AromaticContact CH2-CE1 3.76Å; W329-F338 HydrophobicContact CH2-CE1 3.76Å; W329-F338 AromaticContact CH2-CG 3.9Å; W329-F338 HydrophobicContact CH2-CG 3.9Å; W329-F338 HydrophobicContact CH2-CZ 4.28Å; W329-F338 HydrophobicContact CZ2-CB 3.85Å; W329-F338 AromaticContact CZ2-CD1 3.75Å; W329-F338 HydrophobicContact CZ2-CD1 3.75Å; W329-F338 HydrophobicContact CZ2-CD2 4.03Å; W329-F338 HydrophobicContact CZ2-CE1 4.3Å; W329-F338 AromaticContact CZ2-CG 3.6Å; W329-F338 HydrophobicContact CZ2-CG 3.6Å; R334-F338 VanDerWaalsContact O-CB 3.32Å; R334-F338 WeakPolarHBondContact O-CB 3.37Å; R334-F338 PolarHBondContact O-N 2.95Å; Y335-F338 CarbonylContact O-C 3.6Å; Y335-F338 PolarHBondContact O-N 3.26Å; D336-F338 PolarHBondContact O-N 2.62Å; F338-T342 VanDerWaalsContact O-CB 3.26Å; F338-T342 WeakPolarHBondContact O-CB 3.43Å; F338-T342 PolarHBondContact O-N 3.09Å; F338-T342 PolarHBondContact O-OG1 3.4Å |
| 339 | A | 83.5 | Confident | 72.2 | Confident | 16 Ų | 16 | 115.7 Ų | 115.7 | 13% | 0.132 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -68.8 | -37.8 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y335 D336 R343 | Y335-A339 HydrophobicContact CE1-CB 4.42Å; Y335-A339 WeakPolarHBondContact O-CB 3.16Å; Y335-A339 PolarHBondContact O-N 2.97Å; D336-A339 PolarHBondContact O-N 3.33Å; A339-R343 WeakPolarHBondContact O-CB 3.42Å; A339-R343 VanDerWaalsContact O-CD 3.27Å; A339-R343 WeakPolarHBondContact O-CD 3.28Å; A339-R343 WeakPolarHBondContact O-CG 3.36Å; A339-R343 PolarHBondContact O-N 2.67Å; A339-R343 VanDerWaalsContact O-N 3.1Å |
| 340 | Q | 81.4 | Confident | 70 | Confident | 133 Ų | 133 | 120.6 Ų | 120.6 | 62% | 0.621 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.4 | -53.5 | 172.1 | -71.6 | 171.5 | 40.2 | 0 | 0 | 111.2 | D336 T342 R343 | D336-Q340 WeakPolarHBondContact O-CB 3.5Å; D336-Q340 VanDerWaalsContact O-CG 3.25Å; D336-Q340 WeakPolarHBondContact O-CG 3.49Å; D336-Q340 PolarHBondContact O-N 2.83Å; Q340-T342 VanDerWaalsContact C-N 3.35Å; Q340-T342 PolarHBondContact O-N 2.89Å; Q340-R343 CarbonylContact O-C 3.49Å; Q340-R343 PolarHBondContact O-N 2.94Å |
| 341 | Q | 79.1 | Confident | 67.7 | Low | 91 Ų | 91 | 124 Ų | 124 | 43% | 0.425 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58.8 | -42.6 | 177.9 | -73.2 | 168.5 | 99.7 | 0 | 0 | 112.9 | Y337 R343 | Y337-Q341 HydrophobicContact CD2-CG 4.48Å; Y337-Q341 HydrophobicContact CE2-CG 4.07Å; Y337-Q341 VanDerWaalsContact CZ-CD 3.46Å; Y337-Q341 WeakPolarHBondContact O-CG 3.26Å; Y337-Q341 PolarHBondContact O-N 3.26Å; Y337-Q341 VanDerWaalsContact O-N 3.08Å; Y337-Q341 PolarHBondContact O-NE2 3.27Å; Q341-R343 PolarHBondContact O-N 3.07Å |
| 342 | T | 71.4 | Confident | 65.6 | Low | 71 Ų | 71 | 122.5 Ų | 122.5 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.3 | -13 | 179.9 | -50.8 | 0 | 0 | 0 | 0 | 112 | M300 F338 Q340 | M300-T342 HydrophobicContact CE-CG2 4.38Å; F338-T342 VanDerWaalsContact O-CB 3.26Å; F338-T342 WeakPolarHBondContact O-CB 3.43Å; F338-T342 PolarHBondContact O-N 3.09Å; F338-T342 PolarHBondContact O-OG1 3.4Å; Q340-T342 VanDerWaalsContact C-N 3.35Å; Q340-T342 PolarHBondContact O-N 2.89Å |
| 343 | R | 64.7 | Low | 63.9 | Low | 158 Ų | 158 | 123.6 Ų | 123.6 | 60% | 0.596 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 38.3 | 176.1 | -70.4 | 171.6 | 174.9 | -89.1 | 7.8 | 113 | A339 Q340 Q341 G345 | A339-R343 WeakPolarHBondContact O-CB 3.42Å; A339-R343 VanDerWaalsContact O-CD 3.27Å; A339-R343 WeakPolarHBondContact O-CD 3.28Å; A339-R343 WeakPolarHBondContact O-CG 3.36Å; A339-R343 PolarHBondContact O-N 2.67Å; A339-R343 VanDerWaalsContact O-N 3.1Å; Q340-R343 CarbonylContact O-C 3.49Å; Q340-R343 PolarHBondContact O-N 2.94Å; Q341-R343 PolarHBondContact O-N 3.07Å; R343-G345 PolarHBondContact O-N 3.3Å |
| 344 | F | 47.9 | Very low | 62 | Low | 203 Ų | 203 | 120.5 Ų | 120.5 | 89% | 0.89 | 57% | 0.568 | S | S | * | * | trans | -67.8 | 69 | 161.5 | -101.4 | -84.1 | 0 | 0 | 0 | 111.1 | ||||
| 345 | G | 50.8 | Low | 60.4 | Low | 53 Ų | 53 | 123 Ų | 123 | 55% | 0.546 | 59% | 0.591 | S | S | . | * | S | Bend | trans | 154.3 | 120.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R343 | R343-G345 PolarHBondContact O-N 3.3Š|
| 346 | K | 50.3 | Low | 58.9 | Low | 203 Ų | 203 | 123.9 Ų | 123.9 | 88% | 0.883 | 60% | 0.604 | S | S | * | * | trans | 65.1 | 83 | 174.5 | -55.7 | -175.5 | -179.8 | -175.6 | 0 | 115.5 | R348 | K346-R348 PolarHBondContact O-N 3.21Š| ||
| 347 | K | 49.3 | Very low | 57.7 | Low | 212 Ų | 212 | 124.9 Ų | 124.9 | 92% | 0.922 | 61% | 0.609 | S | S | * | * | trans | -69.8 | 84.4 | 170.2 | -174.1 | 178 | -177.2 | 173.3 | 0 | 111.8 | ||||
| 348 | R | 50.1 | Low | 56.7 | Low | 231 Ų | 231 | 126.5 Ų | 126.5 | 87% | 0.872 | 62% | 0.615 | S | S | * | * | trans | -144.6 | 89.6 | 160.5 | -67.4 | -143.8 | -46.7 | -166.9 | 8.6 | 112.5 | K346 | K346-R348 PolarHBondContact O-N 3.21Š| ||
| 349 | Y | 40.4 | Very low | 55.9 | Low | 217 Ų | 217 | 131.4 Ų | 131.4 | 85% | 0.851 | 64% | 0.64 | S | S | * | * | -164.7 | 156.3 | 125.8 | -149.8 | -97.7 | 0 | 0 | 0 | 109.3 | |||||
| 350 | N | 42.3 | Very low | 55.1 | Low | 112 Ų | 112 | 135.5 Ų | 135.5 | 60% | 0.599 | 66% | 0.66 | S | S | * | * | trans | -78.6 | 134.9 | -175.2 | -62.5 | -14.3 | 0 | 0 | 0 | 112.3 | H352 | N350-H352 WeakPolarHBondContact CB-NE2 3.38Å; N350-H352 PolarHBondContact ND2-NE2 3.36Å | ||
| 351 | H | 41.5 | Very low | 54.5 | Low | 170 Ų | 170 | 136.3 Ų | 136.3 | 79% | 0.787 | 66% | 0.657 | S | S | * | * | trans | -123.5 | 148.8 | 139.4 | -154.5 | 67 | 0 | 0 | 0 | 106.1 | P353 | H351-P353 WeakPolarHBondContact O-CD 3.31Š| ||
| 352 | H | 42.1 | Very low | 54 | Low | 152 Ų | 152 | 135.8 Ų | 135.8 | 70% | 0.704 | 66% | 0.657 | S | S | * | * | trans | -119.9 | 81.4 | -171.6 | -61.6 | -74.7 | 0 | 0 | 0 | 112.1 | N350 | N350-H352 WeakPolarHBondContact CB-NE2 3.38Å; N350-H352 PolarHBondContact ND2-NE2 3.36Å | ||
| 353 | P | 43.8 | Very low | 54.2 | Low | 66 Ų | 66 | 136 Ų | 136 | 43% | 0.429 | 66% | 0.657 | S | S | . | * | trans | -74.1 | 122.6 | 156.4 | -2.4 | 21 | 0 | 0 | 0 | 108.5 | H351 | H351-P353 WeakPolarHBondContact O-CD 3.31Š| ||
| 354 | G | 43.7 | Very low | 54.5 | Low | 61 Ų | 61 | 133.7 Ų | 133.7 | 63% | 0.629 | 66% | 0.657 | S | S | * | * | trans | -74.2 | 131.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | T356 | G354-T356 PolarHBondContact O-N 3.35Š| ||
| 355 | V | 48.4 | Very low | 55.5 | Low | 131 Ų | 131 | 128.6 Ų | 128.6 | 79% | 0.794 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 66.6 | -33.1 | 163.3 | -174.5 | 0 | 0 | 0 | 0 | 117.1 | Y358 | V355-Y358 PolarHBondContact O-N 2.94Š|
| 356 | T | 54.2 | Low | 56.1 | Low | 81 Ų | 81 | 130.5 Ų | 130.5 | 50% | 0.497 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.8 | -40.4 | -173.8 | 47.5 | 0 | 0 | 0 | 0 | 113.9 | G354 Y358 M359 D360 | G354-T356 PolarHBondContact O-N 3.35Å; T356-Y358 PolarHBondContact O-N 2.73Å; T356-M359 WeakPolarHBondContact O-CB 3.49Å; T356-M359 PolarHBondContact O-N 3.07Å; T356-D360 PolarHBondContact O-N 3.01Å; T356-D360 VanDerWaalsContact O-N 3.17Å |
| 357 | D | 58.4 | Low | 56.5 | Low | 95 Ų | 95 | 127.9 Ų | 127.9 | 51% | 0.508 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -53.2 | -28.6 | 179.8 | -80.3 | 34.2 | 0 | 0 | 0 | 113.4 | R361 | D357-R361 VanDerWaalsContact O-CB 3.31Å; D357-R361 WeakPolarHBondContact O-CB 3.35Å; D357-R361 PolarHBondContact O-N 2.95Å; D357-R361 VanDerWaalsContact O-N 3.07Å |
| 358 | Y | 61.8 | Low | 57 | Low | 175 Ų | 175 | 121.6 Ų | 121.6 | 69% | 0.686 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.2 | -29.6 | 178.9 | -157.8 | -88.5 | 0 | 0 | 0 | 112.6 | V355 T356 L362 | V355-Y358 PolarHBondContact O-N 2.94Å; T356-Y358 PolarHBondContact O-N 2.73Å; Y358-L362 HydrophobicContact CD1-CD1 3.9Å; Y358-L362 HydrophobicContact CE1-CD1 3.81Å; Y358-L362 HydrophobicContact CE1-CG 4.44Å; Y358-L362 WeakPolarHBondContact O-CG 3.42Å; Y358-L362 PolarHBondContact O-N 3.4Å |
| 359 | M | 69.6 | Low | 57.1 | Low | 129 Ų | 129 | 117.8 Ų | 117.8 | 64% | 0.635 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -75.7 | -46.9 | 173.8 | -69 | -67 | -177.4 | 0 | 0 | 110.8 | T356 R361 L362 V363 | T356-M359 WeakPolarHBondContact O-CB 3.49Å; T356-M359 PolarHBondContact O-N 3.07Å; M359-R361 VanDerWaalsContact C-N 3.33Å; M359-R361 PolarHBondContact O-N 3.08Å; M359-L362 WeakPolarHBondContact O-CB 3.2Å; M359-L362 PolarHBondContact O-N 2.72Å; M359-L362 VanDerWaalsContact O-N 3.08Å; M359-V363 WeakPolarHBondContact O-CG2 3.45Å; M359-V363 PolarHBondContact O-N 3.46Å |
| 360 | D | 65.8 | Low | 57.3 | Low | 101 Ų | 101 | 110.4 Ų | 110.4 | 54% | 0.54 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.3 | -41.6 | 180 | -72.2 | -6.8 | 0 | 0 | 0 | 111.1 | T356 L362 V363 D364 | T356-D360 PolarHBondContact O-N 3.01Å; T356-D360 VanDerWaalsContact O-N 3.17Å; D360-L362 VanDerWaalsContact C-N 3.28Å; D360-L362 PolarHBondContact O-N 3.38Å; D360-V363 WeakPolarHBondContact O-CB 3.49Å; D360-V363 PolarHBondContact O-N 2.9Å; D360-V363 VanDerWaalsContact O-N 3.14Å; D360-D364 PolarHBondContact O-N 3.38Å |
| 361 | R | 69.3 | Low | 57.4 | Low | 151 Ų | 151 | 108.1 Ų | 108.1 | 57% | 0.57 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.9 | -29.7 | 175.5 | -148.9 | -154.9 | 88.5 | 159.5 | 11.1 | 113.3 | D357 M359 E365 | D357-R361 VanDerWaalsContact O-CB 3.31Å; D357-R361 WeakPolarHBondContact O-CB 3.35Å; D357-R361 PolarHBondContact O-N 2.95Å; D357-R361 VanDerWaalsContact O-N 3.07Å; M359-R361 VanDerWaalsContact C-N 3.33Å; M359-R361 PolarHBondContact O-N 3.08Å; R361-E365 IonicContact CZ-OE2 2.86Å; R361-E365 IonicContact NE-OE2 2.76Å; R361-E365 IonicContact NH2-OE1 3.48Å; R361-E365 PolarHBondContact NH2-OE1 3.07Å; R361-E365 IonicContact NH2-OE2 3.7Å; R361-E365 PolarHBondContact NH2-OE2 3.41Å; R361-E365 WeakPolarHBondContact O-CB 3.2Å; R361-E365 PolarHBondContact O-N 2.7Å; R361-E365 VanDerWaalsContact O-N 3.12Å |
| 362 | L | 67.9 | Low | 57.4 | Low | 80 Ų | 80 | 105.9 Ų | 105.9 | 42% | 0.419 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -74.1 | -36.1 | 172.9 | -84 | 169.7 | 0 | 0 | 0 | 112 | Y358 M359 D360 E365 T366 | Y358-L362 HydrophobicContact CD1-CD1 3.9Å; Y358-L362 HydrophobicContact CE1-CD1 3.81Å; Y358-L362 HydrophobicContact CE1-CG 4.44Å; Y358-L362 WeakPolarHBondContact O-CG 3.42Å; Y358-L362 PolarHBondContact O-N 3.4Å; M359-L362 WeakPolarHBondContact O-CB 3.2Å; M359-L362 PolarHBondContact O-N 2.72Å; M359-L362 VanDerWaalsContact O-N 3.08Å; D360-L362 VanDerWaalsContact C-N 3.28Å; D360-L362 PolarHBondContact O-N 3.38Å; L362-E365 PolarHBondContact O-N 3.26Å; L362-T366 WeakPolarHBondContact O-CG2 3.46Å; L362-T366 PolarHBondContact O-N 3.17Å; L362-T366 PolarHBondContact O-OG1 3.01Å |
| 363 | V | 75.1 | Confident | 57.1 | Low | 74 Ų | 74 | 105.4 Ų | 105.4 | 45% | 0.448 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.4 | -53.5 | 172.6 | 173.2 | 0 | 0 | 0 | 0 | 109.9 | M359 D360 E365 T366 E367 | M359-V363 WeakPolarHBondContact O-CG2 3.45Å; M359-V363 PolarHBondContact O-N 3.46Å; D360-V363 WeakPolarHBondContact O-CB 3.49Å; D360-V363 PolarHBondContact O-N 2.9Å; D360-V363 VanDerWaalsContact O-N 3.14Å; V363-E365 VanDerWaalsContact C-N 3.3Å; V363-E365 PolarHBondContact O-N 3.37Å; V363-T366 PolarHBondContact O-N 3.37Å; V363-T366 PolarHBondContact O-OG1 2.7Å; V363-E367 PolarHBondContact O-N 2.91Å |
| 364 | D | 71.3 | Confident | 56.7 | Low | 111 Ų | 111 | 110.1 Ų | 110.1 | 59% | 0.594 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -53.4 | -45.6 | 176 | -79.5 | -14.1 | 0 | 0 | 0 | 112.3 | D360 T366 E367 A368 | D360-D364 PolarHBondContact O-N 3.38Å; D364-T366 VanDerWaalsContact C-N 3.29Å; D364-T366 PolarHBondContact O-N 2.63Å; D364-E367 PolarHBondContact O-N 3.34Å; D364-A368 VanDerWaalsContact O-CB 3.27Å; D364-A368 WeakPolarHBondContact O-CB 3.4Å; D364-A368 PolarHBondContact O-N 3.29Å |
| 365 | E | 69.9 | Low | 56.1 | Low | 95 Ų | 95 | 111.8 Ų | 111.8 | 44% | 0.444 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -69.2 | -25 | -178.8 | -165.1 | 157.9 | -152.2 | 0 | 0 | 112.4 | R361 L362 V363 | R361-E365 IonicContact CZ-OE2 2.86Å; R361-E365 IonicContact NE-OE2 2.76Å; R361-E365 IonicContact NH2-OE1 3.48Å; R361-E365 PolarHBondContact NH2-OE1 3.07Å; R361-E365 IonicContact NH2-OE2 3.7Å; R361-E365 PolarHBondContact NH2-OE2 3.41Å; R361-E365 WeakPolarHBondContact O-CB 3.2Å; R361-E365 PolarHBondContact O-N 2.7Å; R361-E365 VanDerWaalsContact O-N 3.12Å; L362-E365 PolarHBondContact O-N 3.26Å; V363-E365 VanDerWaalsContact C-N 3.3Å; V363-E365 PolarHBondContact O-N 3.37Å |
| 366 | T | 63 | Low | 55.3 | Low | 94 Ų | 94 | 111.4 Ų | 111.4 | 58% | 0.577 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -82.9 | -37.5 | 170.6 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | L362 V363 D364 A368 L369 G370 | L362-T366 WeakPolarHBondContact O-CG2 3.46Å; L362-T366 PolarHBondContact O-N 3.17Å; L362-T366 PolarHBondContact O-OG1 3.01Å; V363-T366 PolarHBondContact O-N 3.37Å; V363-T366 PolarHBondContact O-OG1 2.7Å; D364-T366 VanDerWaalsContact C-N 3.29Å; D364-T366 PolarHBondContact O-N 2.63Å; T366-A368 VanDerWaalsContact C-N 3.33Å; T366-L369 PolarHBondContact O-N 3.49Å; T366-G370 PolarHBondContact O-N 3.14Å |
| 367 | E | 59.3 | Low | 54.3 | Low | 148 Ų | 148 | 111.7 Ų | 111.7 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.7 | -36.8 | 174.8 | -66.3 | -151.4 | 152.5 | 0 | 0 | 111.5 | V363 D364 L369 G370 | V363-E367 PolarHBondContact O-N 2.91Å; D364-E367 PolarHBondContact O-N 3.34Å; E367-L369 VanDerWaalsContact C-N 3.27Å; E367-L369 PolarHBondContact O-N 2.94Å; E367-G370 PolarHBondContact O-N 3.12Å |
| 368 | A | 58.2 | Low | 53 | Low | 80 Ų | 80 | 114.8 Ų | 114.8 | 66% | 0.661 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -61.6 | -29.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | D364 T366 | D364-A368 VanDerWaalsContact O-CB 3.27Å; D364-A368 WeakPolarHBondContact O-CB 3.4Å; D364-A368 PolarHBondContact O-N 3.29Å; T366-A368 VanDerWaalsContact C-N 3.33Å |
| 369 | L | 53.7 | Low | 51.6 | Low | 151 Ų | 151 | 112.3 Ų | 112.3 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -98.3 | -21 | 179.2 | -97.7 | 66.2 | 0 | 0 | 0 | 114.2 | T366 E367 G371 | T366-L369 PolarHBondContact O-N 3.49Å; E367-L369 VanDerWaalsContact C-N 3.27Å; E367-L369 PolarHBondContact O-N 2.94Å; L369-G371 VanDerWaalsContact C-N 3.31Å; L369-G371 PolarHBondContact O-N 2.93Å |
| 370 | G | 43.9 | Very low | 49.7 | Very low | 61 Ų | 61 | 110.6 Ų | 110.6 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.9 | -16.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T366 E367 T372 | T366-G370 PolarHBondContact O-N 3.14Å; E367-G370 PolarHBondContact O-N 3.12Å; G370-T372 PolarHBondContact O-N 3.32Å; G370-T372 VanDerWaalsContact O-N 3.09Å |
| 371 | G | 43.7 | Very low | 47.8 | Very low | 64 Ų | 64 | 113.2 Ų | 113.2 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | trans | -77.3 | 18.5 | -161.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | L369 | L369-G371 VanDerWaalsContact C-N 3.31Å; L369-G371 PolarHBondContact O-N 2.93Å | ||
| 372 | T | 42.4 | Very low | 46 | Very low | 123 Ų | 123 | 116.3 Ų | 116.3 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | trans | -150.1 | 77 | -179.2 | -47.4 | 0 | 0 | 0 | 0 | 115.9 | G370 | G370-T372 PolarHBondContact O-N 3.32Å; G370-T372 VanDerWaalsContact O-N 3.09Å | ||
| 373 | V | 36.5 | Very low | 44.7 | Very low | 142 Ų | 142 | 118 Ų | 118 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | trans | -135.3 | 138.4 | 148.4 | -75.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 374 | N | 34.3 | Very low | 42.4 | Very low | 165 Ų | 165 | 120.8 Ų | 120.8 | 88% | 0.882 | 72% | 0.723 | S | S | * | * | trans | -82.4 | 135.3 | -163.4 | -59 | -65.9 | 0 | 0 | 0 | 113.8 | ||||
| 375 | A | 30.4 | Very low | 40.9 | Very low | 97 Ų | 97 | 121.4 Ų | 121.4 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | trans | -121.3 | 93.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 376 | S | 32.4 | Very low | 39 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | trans | -173.7 | 121.4 | 159.7 | -87.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 377 | A | 32.8 | Very low | 38.4 | Very low | 86 Ų | 86 | 124 Ų | 124 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | 154.8 | 115.5 | 133.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 378 | L | 32.4 | Very low | 37 | Very low | 161 Ų | 161 | 123 Ų | 123 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | 67.2 | 152.7 | 146.1 | -50.8 | 171.2 | 0 | 0 | 0 | 117.4 | ||||
| 379 | T | 32 | Very low | 35.7 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | cis | -159.1 | 150.2 | -9.8 | 9.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 380 | S | 29.1 | Very low | 34.6 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | trans | 23.4 | 125.7 | 144.1 | -154.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 381 | N | 27.2 | Very low | 34 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | 175.5 | 147.5 | 106 | -84.2 | -32.6 | 0 | 0 | 0 | 115.1 | |||||
| 382 | R | 30.6 | Very low | 33.3 | Very low | 215 Ų | 215 | 132.2 Ų | 132.2 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -115 | 150.4 | 165.4 | -172.9 | 171.1 | -174.3 | -103.9 | -6 | 105.5 | ||||
| 383 | P | 39.5 | Very low | 32.6 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | cis | -150.2 | -172.4 | 46.9 | 43 | -20.3 | 0 | 0 | 0 | 119 | ||||
| 384 | E | 28.7 | Very low | 32.3 | Very low | 134 Ų | 134 | 133 Ų | 133 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | trans | -53.7 | 169.8 | 167.6 | -109.9 | -179.2 | -145.1 | 0 | 0 | 115.7 | ||||
| 385 | P | 39.3 | Very low | 32 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | cis | -148.3 | 176.3 | 47.7 | 41.6 | -19.6 | 0 | 0 | 0 | 121.3 | ||||
| 386 | I | 29.5 | Very low | 31.9 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | trans | -63.6 | 164.6 | 171.2 | -77.4 | 159.6 | 0 | 0 | 0 | 113.6 | ||||
| 387 | P | 49.7 | Very low | 31.8 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | cis | -119 | -150.5 | 14.5 | 32.5 | -9 | 0 | 0 | 0 | 113.2 | ||||
| 388 | D | 30 | Very low | 31.8 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 68% | 0.684 | 73% | 0.731 | S | S | * | * | cis | -164.5 | -178.5 | 12.4 | -143.7 | 0.4 | 0 | 0 | 0 | 109.2 | ||||
| 389 | Q | 31.2 | Very low | 31.7 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | cis | -161.1 | 170.4 | 1 | -156.1 | 176.3 | 105.6 | 0 | 0 | 110 | ||||
| 390 | Q | 30.2 | Very low | 31.5 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | trans | 31.4 | 140.8 | 153 | -83.7 | 178.1 | 52.3 | 0 | 0 | 121.7 | ||||
| 391 | L | 32.2 | Very low | 31.7 | Very low | 143 Ų | 143 | 136 Ų | 136 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | cis | -163.6 | -160.3 | 44.7 | -132 | 165.4 | 0 | 0 | 0 | 113.1 | ||||
| 392 | N | 28.1 | Very low | 32 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | trans | -103.6 | 142.9 | -156.4 | -80.9 | -36.6 | 0 | 0 | 0 | 118.3 | ||||
| 393 | I | 28.3 | Very low | 32.3 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | 41.3 | 120.7 | 127.1 | -39.2 | 160.3 | 0 | 0 | 0 | 119.6 | |||||
| 394 | L | 30 | Very low | 32 | Very low | 149 Ų | 149 | 132 Ų | 132 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | 176.9 | 126.4 | 115.3 | -95.1 | 174.4 | 0 | 0 | 0 | 116.7 | |||||
| 395 | N | 29.6 | Very low | 32.1 | Very low | 133 Ų | 133 | 133 Ų | 133 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 22.8 | 135.4 | 143.6 | -63.3 | -7.2 | 0 | 0 | 0 | 124.7 | ||||
| 396 | S | 28.2 | Very low | 31.9 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | trans | 62.1 | 118.1 | 133.7 | 66.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 397 | F | 29.2 | Very low | 32.3 | Very low | 194 Ų | 194 | 132.5 Ų | 132.5 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | -171.7 | 102.9 | 129.9 | -89.3 | -65.2 | 0 | 0 | 0 | 106.6 | |||||
| 398 | T | 32.8 | Very low | 31.7 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | 63.4 | 138.5 | 96.3 | 62.5 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 399 | A | 30.4 | Very low | 31.7 | Very low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | trans | -74.1 | 147 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 400 | S | 28.8 | Very low | 31.8 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | -169.6 | 128.2 | 135.6 | -76.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 401 | D | 31.5 | Very low | 32.1 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 144.5 | 71.4 | 151.3 | -78.7 | -1.4 | 0 | 0 | 0 | 113.2 | ||||
| 402 | L | 35.3 | Very low | 32 | Very low | 178 Ų | 178 | 128.4 Ų | 128.4 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | trans | -161.5 | 81.8 | 142.7 | -85.6 | -160.5 | 0 | 0 | 0 | 108.6 | ||||
| 403 | T | 36 | Very low | 32.2 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -146.6 | 154.3 | 172.6 | 48.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 404 | A | 33.8 | Very low | 32.2 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 72.6 | 128.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 405 | L | 30.6 | Very low | 33.2 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | cis | -118.6 | 123.1 | 10.3 | -70.8 | 166.9 | 0 | 0 | 0 | 109.4 | ||||
| 406 | T | 35.2 | Very low | 33.2 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 61% | 0.607 | 76% | 0.764 | S | S | * | * | 58.2 | 137.4 | 80.1 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 407 | N | 36.8 | Very low | 33.2 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | cis | -170 | 170.5 | 5.7 | -104.8 | -9.2 | 0 | 0 | 0 | 108.3 | ||||
| 408 | S | 38 | Very low | 33.3 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | cis | -175.3 | -169.9 | -18 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 409 | V | 29.6 | Very low | 33.1 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | 76.7 | 98.9 | 173.7 | -172.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 410 | A | 33.8 | Very low | 33 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 62% | 0.62 | 77% | 0.769 | S | S | * | * | cis | 68.8 | 149.7 | 10.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 411 | T | 36.7 | Very low | 33.1 | Very low | 138 Ų | 138 | 129 Ų | 129 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | cis | -166.4 | -179.7 | -11.9 | 21.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 412 | V | 29.5 | Very low | 33 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | cis | -155 | -178.1 | 17.5 | 77.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 413 | C | 31.2 | Very low | 32.7 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | -106.7 | 150.6 | 175 | -48.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 414 | D | 30.1 | Very low | 32.4 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | 60 | 174.1 | 153.3 | -91.8 | -56.9 | 0 | 0 | 0 | 118.7 | ||||
| 415 | P | 49.3 | Very low | 32.2 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | cis | -141.2 | -164.7 | 14.9 | 44.8 | -25 | 0 | 0 | 0 | 117.9 | ||||
| 416 | T | 30 | Very low | 33.6 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | 84.4 | 117.4 | 151.7 | 45.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 417 | D | 28.1 | Very low | 34.3 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | 31 | 123.6 | 130.7 | -50.6 | -40.2 | 0 | 0 | 0 | 121.4 | ||||
| 418 | V | 30.8 | Very low | 34 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 93% | 0.927 | 77% | 0.768 | S | S | * | * | -172.4 | 166.3 | 89.4 | -83.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 419 | N | 29.5 | Very low | 33.4 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -117.3 | 129.1 | -178.1 | 177 | 15.3 | 0 | 0 | 0 | 111.2 | ||||
| 420 | C | 28.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | 179.1 | 123.9 | 150.6 | -105.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 421 | L | 31.4 | Very low | 33.2 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | 55.7 | 108.4 | 129.4 | -76.4 | 167.8 | 0 | 0 | 0 | 123.3 | |||||
| 422 | D | 28.2 | Very low | 33.6 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | 115 | 149.9 | 107 | -140.2 | 3.9 | 0 | 0 | 0 | 122 | |||||
| 423 | D | 29.3 | Very low | 33.7 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | trans | 79.7 | 116.2 | 153.9 | -128.4 | -20.6 | 0 | 0 | 0 | 125.4 | ||||
| 424 | S | 30.1 | Very low | 33.5 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 74.2 | 155.3 | 142.4 | -78.6 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 425 | F | 29.4 | Very low | 33.5 | Very low | 207 Ų | 207 | 134 Ų | 134 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | trans | -107.5 | -155.6 | -172.6 | -71.3 | -103.9 | 0 | 0 | 0 | 114.2 | ||||
| 426 | P | 60.1 | Low | 32.6 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | -124.3 | -178.4 | -108.5 | 40.5 | -20 | 0 | 0 | 0 | 115.9 | |||||
| 427 | P | 49 | Very low | 32.6 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | -157.6 | 142.6 | 122.7 | 36.8 | -17.1 | 0 | 0 | 0 | 120.2 | |||||
| 428 | L | 30.9 | Very low | 32.7 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | 47.1 | 134.8 | 131 | -63.7 | 165.9 | 0 | 0 | 0 | 125.8 | ||||
| 429 | G | 25.7 | Very low | 32.6 | Very low | 67 Ų | 67 | 135.6 Ų | 135.6 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | 94.3 | 157 | 137.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 430 | N | 28 | Very low | 33.3 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | cis | -159 | 168.2 | -4.3 | -101.6 | -3.7 | 0 | 0 | 0 | 111.3 | ||||
| 431 | T | 31.5 | Very low | 33.3 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | trans | -91.2 | 175.5 | 174.1 | 61.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 432 | P | 44.2 | Very low | 33.1 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | -156.3 | 149.9 | 99.3 | 38.7 | -19.7 | 0 | 0 | 0 | 119.6 | |||||
| 433 | R | 32.4 | Very low | 33.2 | Very low | 218 Ų | 218 | 132.1 Ų | 132.1 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | trans | 60.1 | 143 | 148.2 | -79.8 | -178.3 | 141.3 | 120.5 | -1.8 | 122.4 | Q435 | R433-Q435 VanDerWaalsContact CZ-OE1 3.31Š| ||
| 434 | G | 26.2 | Very low | 33.3 | Very low | 68 Ų | 68 | 134.1 Ų | 134.1 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | 155.3 | -179 | -14.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 435 | Q | 31.5 | Very low | 33.3 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | trans | 67.9 | 138.9 | 151.3 | -76.6 | -173.1 | -105.7 | 0 | 0 | 119.5 | R433 | R433-Q435 VanDerWaalsContact CZ-OE1 3.31Š| ||
| 436 | V | 29 | Very low | 33.4 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | cis | -139.7 | 161.8 | 9.1 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 437 | N | 31.6 | Very low | 31.9 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | trans | -87.8 | 174 | -173.7 | -22.8 | -84.6 | 0 | 0 | 0 | 116.4 | ||||
| 438 | H | 30.3 | Very low | 30.9 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | -168 | 152.6 | 103.7 | -104.6 | -78 | 0 | 0 | 0 | 114.3 | |||||
| 439 | V | 27.3 | Very low | 30.9 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | trans | -152.2 | 133 | -166.9 | 167.1 | 0 | 0 | 0 | 0 | 111.8 | V441 | V439-V441 HydrophobicContact CG1-CG2 3.81Š| ||
| 440 | P | 44.4 | Very low | 31.6 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | -143.1 | 170.2 | 108.9 | 30.3 | -10.1 | 0 | 0 | 0 | 113.6 | |||||
| 441 | V | 29.1 | Very low | 31.6 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | cis | 95 | 146.7 | 11.3 | -174.7 | 0 | 0 | 0 | 0 | 116.1 | V439 | V439-V441 HydrophobicContact CG1-CG2 3.81Š| ||
| 442 | V | 27.5 | Very low | 31.5 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 94 | 133.7 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 443 | T | 29.8 | Very low | 30.7 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | cis | -164.9 | 154.2 | -28.3 | 37.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 444 | E | 31.3 | Very low | 30.6 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 53.4 | 117 | 142.4 | -68.8 | 172.8 | -166 | 0 | 0 | 124.8 | ||||
| 445 | E | 30.7 | Very low | 30.7 | Very low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | 43.6 | 125.6 | 114.9 | -159.9 | 174.5 | -120.6 | 0 | 0 | 122.5 | |||||
| 446 | L | 30.4 | Very low | 30.6 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | 177.4 | 122.1 | 116.6 | -93.9 | 169.6 | 0 | 0 | 0 | 115.6 | |||||
| 447 | L | 29.4 | Very low | 30.6 | Very low | 141 Ų | 141 | 135 Ų | 135 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 6.3 | 130.2 | 151.4 | -52.3 | 170.5 | 0 | 0 | 0 | 121.7 | ||||
| 448 | T | 27.8 | Very low | 30.5 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | 169.9 | 151.5 | 101.6 | 34.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 449 | L | 30.9 | Very low | 30.5 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -105.1 | 162.1 | 167.1 | -68.2 | 168.6 | 0 | 0 | 0 | 109.9 | ||||
| 450 | P | 39.9 | Very low | 30.7 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | -150.5 | 140.5 | 97.3 | 37 | -19.3 | 0 | 0 | 0 | 117.9 | |||||
| 451 | S | 28.3 | Very low | 30.1 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | 38.4 | 129.3 | 133.2 | -153 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 452 | N | 30.3 | Very low | 30 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | 51.8 | 135.5 | 144.6 | -67.8 | 11.8 | 0 | 0 | 0 | 122.5 | ||||
| 453 | G | 27.2 | Very low | 30 | Very low | 76 Ų | 76 | 142.2 Ų | 142.2 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | 177.5 | 136.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 454 | E | 29.1 | Very low | 29.9 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -94.7 | -174.6 | -171 | 66.5 | -120.3 | 90.6 | 0 | 0 | 115.9 | ||||
| 455 | S | 28.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 85.8 | 115.6 | 159.6 | 70.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 456 | D | 29.4 | Very low | 29.7 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 36 | 123.3 | 130.6 | -51.3 | -31.8 | 0 | 0 | 0 | 122.3 | ||||
| 457 | C | 29.7 | Very low | 29.5 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | 176.1 | 133.2 | 106.5 | -92.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 458 | F | 28.5 | Very low | 29.5 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 91% | 0.912 | 78% | 0.777 | S | S | * | * | -177 | 139.6 | 115.7 | -98.3 | -65.5 | 0 | 0 | 0 | 110.9 | |||||
| 459 | N | 31.7 | Very low | 29.5 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -123.4 | 137.4 | -177.9 | -97.8 | -83 | 0 | 0 | 0 | 110.8 | ||||
| 460 | L | 30.8 | Very low | 29.5 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 173.2 | 134.5 | 155.1 | -117.6 | 51.1 | 0 | 0 | 0 | 107.2 | ||||
| 461 | F | 30.9 | Very low | 28.9 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | cis | -140.2 | 141.1 | 19.5 | -86.2 | -89.9 | 0 | 0 | 0 | 114.1 | ||||
| 462 | E | 27.1 | Very low | 29.7 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | 61.2 | 80.2 | 121.5 | -145.3 | 153 | -152.9 | 0 | 0 | 122.1 | |||||
| 463 | T | 29 | Very low | 29.5 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | 44.8 | 129.8 | 124.3 | 61.3 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 464 | G | 27.7 | Very low | 29.5 | Very low | 81 Ų | 81 | 145.6 Ų | 145.6 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | -151.6 | 78.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 465 | F | 28 | Very low | 29.6 | Very low | 157 Ų | 157 | 145 Ų | 145 | 69% | 0.689 | 76% | 0.762 | S | S | * | * | trans | -75.9 | 136.1 | -177.3 | -93.7 | -116.3 | 0 | 0 | 0 | 113.4 | H467 | F465-H467 HydrophobicContact CD1-CB 4.28Å; F465-H467 AromaticContact CD1-CD2 3.72Å; F465-H467 AromaticContact CE1-CD2 3.6Å | ||
| 466 | Y | 29.6 | Very low | 29.5 | Very low | 240 Ų | 240 | 146.5 Ų | 146.5 | 94% | 0.941 | 77% | 0.772 | S | S | * | * | trans | -129.9 | 147.5 | 137.2 | -102.4 | -89.2 | 0 | 0 | 0 | 107.9 | ||||
| 467 | H | 26.4 | Very low | 29.5 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | -151.6 | 157.8 | -162.9 | -149.1 | -90.9 | 0 | 0 | 0 | 111.5 | F465 | F465-H467 HydrophobicContact CD1-CB 4.28Å; F465-H467 AromaticContact CD1-CD2 3.72Å; F465-H467 AromaticContact CE1-CD2 3.6Å | ||
| 468 | S | 29.4 | Very low | 29.4 | Very low | 79 Ų | 79 | 149 Ų | 149 | 55% | 0.552 | 78% | 0.781 | S | S | * | * | trans | 72.2 | 146.2 | 161.8 | -62.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 469 | E | 27.6 | Very low | 29.8 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | cis | -164.4 | 160.8 | -8.8 | -115.7 | 161.8 | -118.6 | 0 | 0 | 112.8 | ||||
| 470 | L | 30 | Very low | 29.7 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | 61.6 | 123.7 | 145.6 | -67.9 | 166.5 | 0 | 0 | 0 | 123.6 | ||||
| 471 | N | 28.6 | Very low | 29.9 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -63.7 | 177.6 | 151.7 | -116.8 | -26 | 0 | 0 | 0 | 111.7 | ||||
| 472 | P | 43.4 | Very low | 30.1 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | cis | -143.1 | -166.4 | 16.8 | 42.3 | -21.5 | 0 | 0 | 0 | 117.1 | ||||
| 473 | M | 27.6 | Very low | 30.5 | Very low | 173 Ų | 173 | 147 Ų | 147 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | 76.8 | 144 | 156.7 | -102.8 | 169.1 | 176.1 | 0 | 0 | 117.3 | ||||
| 474 | N | 26.9 | Very low | 30.8 | Very low | 142 Ų | 142 | 146 Ų | 146 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | cis | -154.9 | 174.9 | 15.3 | -169.2 | 19.9 | 0 | 0 | 0 | 112.1 | ||||
| 475 | M | 30.5 | Very low | 31.7 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -76.9 | 144.4 | 179.1 | -67.3 | -74.9 | 174.8 | 0 | 0 | 115.1 | ||||
| 476 | C | 26.7 | Very low | 32.7 | Very low | 134 Ų | 134 | 152.4 Ų | 152.4 | 91% | 0.905 | 78% | 0.782 | S | S | * | * | trans | -161.3 | 147.4 | 136.7 | -97.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 477 | S | 29.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -91.3 | 149 | 175.1 | -47 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 478 | E | 28.7 | Very low | 33.9 | Very low | 191 Ų | 191 | 151.2 Ų | 151.2 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -154.3 | 139.2 | 148.9 | -127.2 | 173.2 | -170.2 | 0 | 0 | 110.4 | ||||
| 479 | E | 35.3 | Very low | 34.4 | Very low | 190 Ų | 190 | 155.8 Ų | 155.8 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -73.7 | 148.1 | 173.2 | -70.2 | 173 | 92.6 | 0 | 0 | 110.5 | ||||
| 480 | S | 30.4 | Very low | 34.6 | Very low | 90 Ų | 90 | 151.4 Ų | 151.4 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | trans | -153.9 | 66.9 | 171 | -92.9 | 0 | 0 | 0 | 0 | 111.9 | R482 | S480-R482 PolarHBondContact O-N 3.08Š| ||
| 481 | E | 35.3 | Very low | 34.6 | Very low | 195 Ų | 195 | 151.7 Ų | 151.7 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -43.6 | 115.6 | 163.5 | -179.1 | -175.4 | -136.2 | 0 | 0 | 111.4 | ||||
| 482 | R | 33.7 | Very low | 34.7 | Very low | 198 Ų | 198 | 148.7 Ų | 148.7 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | trans | -145 | 145.6 | 168.9 | -74.6 | -164.3 | 175 | 77.7 | 4.3 | 110.7 | S480 | S480-R482 PolarHBondContact O-N 3.08Š| ||
| 483 | P | 36.8 | Very low | 34.1 | Very low | 110 Ų | 110 | 149.6 Ų | 149.6 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 151.5 | -164.5 | 29.7 | -36.9 | 0 | 0 | 0 | 113.7 | K485 | P483-K485 PolarHBondContact O-N 3.23Š|
| 484 | A | 34.1 | Very low | 34.5 | Very low | 100 Ų | 100 | 147.1 Ų | 147.1 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 121.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 485 | K | 46.8 | Very low | 34.7 | Very low | 181 Ų | 181 | 149.2 Ų | 149.2 | 79% | 0.787 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 116.8 | 179.6 | -73.7 | -176.9 | 178.3 | 178.2 | 0 | 110.8 | P483 L487 | P483-K485 PolarHBondContact O-N 3.23Å; K485-L487 PolarHBondContact O-N 2.93Å; K485-L487 VanDerWaalsContact O-N 3.1Å |
| 486 | R | 50.5 | Low | 34.7 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -52.3 | 109.1 | 169.5 | -167.9 | -177.9 | -149.4 | 172.1 | 10.7 | 110.8 | E180 | E180-R486 IonicContact OE1-CZ 3.56Å; E180-R486 IonicContact OE1-NE 3.12Å; E180-R486 PolarHBondContact OE1-NE 3.01Å; E180-R486 VanDerWaalsContact OE1-NE 3.12Å; E180-R486 IonicContact OE1-NH2 3.1Å; E180-R486 PolarHBondContact OE1-NH2 2.95Å; E180-R486 VanDerWaalsContact OE1-NH2 3.1Å; E180-R486 IonicContact OE2-CZ 3.97Å; E180-R486 IonicContact OE2-NH2 2.89Å; E180-R486 PolarHBondContact OE2-NH2 3.37Å | ||
| 487 | L | 42.1 | Very low | 34.8 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -97.9 | 99.9 | 175.1 | -80 | 169.2 | 0 | 0 | 0 | 110 | K485 M489 | K485-L487 PolarHBondContact O-N 2.93Å; K485-L487 VanDerWaalsContact O-N 3.1Å; L487-M489 PolarHBondContact O-N 2.87Å | ||
| 488 | K | 38 | Very low | 34.8 | Very low | 202 Ų | 202 | 152.2 Ų | 152.2 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -82.7 | 93.7 | 172.1 | -176.2 | 173.7 | -179.7 | 174.7 | 0 | 109.4 | G490 | K488-G490 PolarHBondContact O-N 3.4Š| ||
| 489 | M | 39.8 | Very low | 34.8 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | trans | -73.1 | 112.5 | 177.1 | -163.2 | 66.1 | 175.6 | 0 | 0 | 110.3 | L487 | L487-M489 PolarHBondContact O-N 2.87Š| ||
| 490 | G | 31.3 | Very low | 34.5 | Very low | 60 Ų | 60 | 150.5 Ų | 150.5 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | trans | -91.4 | 123.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | K488 A492 | K488-G490 PolarHBondContact O-N 3.4Å; G490-A492 PolarHBondContact O-N 3.04Å; G490-A492 VanDerWaalsContact O-N 3.1Å | ||
| 491 | I | 31.7 | Very low | 34.4 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -78.3 | 95.8 | 176.1 | -57.7 | 175.5 | 0 | 0 | 0 | 108.2 | V493 | I491-V493 HydrophobicContact CG2-CG2 4.43Š| ||
| 492 | A | 30 | Very low | 34 | Very low | 89 Ų | 89 | 149.1 Ų | 149.1 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -89.5 | 115.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | G490 P494 | G490-A492 PolarHBondContact O-N 3.04Å; G490-A492 VanDerWaalsContact O-N 3.1Å; A492-P494 WeakPolarHBondContact O-CD 3.27Å | ||
| 493 | V | 31.4 | Very low | 33.7 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 122.8 | 173.5 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | I491 | I491-V493 HydrophobicContact CG2-CG2 4.43Š|
| 494 | P | 35.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 127.8 | 169.4 | -14.7 | 30.9 | 0 | 0 | 0 | 109.9 | A492 | A492-P494 WeakPolarHBondContact O-CD 3.27Š|
| 495 | E | 31.5 | Very low | 33 | Very low | 186 Ų | 186 | 149 Ų | 149 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 155.4 | 175.5 | -71.8 | 178.3 | 111.3 | 0 | 0 | 112.3 | ||
| 496 | S | 30.3 | Very low | 32.4 | Very low | 107 Ų | 107 | 149.2 Ų | 149.2 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 144.1 | -179.7 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 497 | F | 27.8 | Very low | 31.3 | Very low | 207 Ų | 207 | 143.3 Ų | 143.3 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | trans | -123.2 | 111.7 | 162.8 | -105.7 | -91.6 | 0 | 0 | 0 | 109 | ||||
| 498 | M | 29.2 | Very low | 30.8 | Very low | 170 Ų | 170 | 143 Ų | 143 | 84% | 0.837 | 81% | 0.808 | S | S | * | * | trans | -85.9 | 149.1 | 172 | -60.8 | -164.7 | 78.1 | 0 | 0 | 110.9 | ||||
| 499 | N | 28.7 | Very low | 30.4 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -156 | 151.6 | 148.5 | -120 | -51.3 | 0 | 0 | 0 | 110.8 | ||||
| 500 | E | 29.3 | Very low | 30 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -91.9 | 149.1 | -167.3 | -50.8 | 178 | 147 | 0 | 0 | 113.6 | ||||
| 501 | V | 28.3 | Very low | 30.1 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | trans | -145.5 | 151.5 | 131.3 | 178 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 502 | S | 26 | Very low | 30 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | -118.5 | -169.4 | -166.8 | -167.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 503 | V | 29.2 | Very low | 30.1 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 70% | 0.703 | 82% | 0.816 | S | S | * | * | trans | 81.9 | 103.2 | 163.7 | -60.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 504 | N | 27.5 | Very low | 30.2 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | 87.8 | 114.3 | 120.4 | -62.6 | -0.1 | 0 | 0 | 0 | 122.9 | |||||
| 505 | N | 28.7 | Very low | 30.2 | Very low | 153 Ų | 153 | 152.1 Ų | 152.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | 43.5 | 114.1 | 132.6 | -64.6 | 14.7 | 0 | 0 | 0 | 121.4 | ||||
| 506 | L | 33.1 | Very low | 30.3 | Very low | 184 Ų | 184 | 151.3 Ų | 151.3 | 96% | 0.963 | 81% | 0.808 | S | S | * | * | -154.3 | 131.2 | 125.2 | -107.6 | 154.2 | 0 | 0 | 0 | 108.2 | |||||
| 507 | G | 26.7 | Very low | 30.4 | Very low | 67 Ų | 67 | 153.6 Ų | 153.6 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -120.2 | 150 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 508 | V | 32.1 | Very low | 30.9 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -156.2 | 148.6 | 164.5 | -104.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 509 | D | 30.5 | Very low | 31 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | -73 | 155.8 | -170.8 | -42.2 | -93 | 0 | 0 | 0 | 113.2 | ||||
| 510 | F | 31.2 | Very low | 31.3 | Very low | 219 Ų | 219 | 144.3 Ų | 144.3 | 96% | 0.961 | 80% | 0.801 | S | S | * | * | trans | -144.5 | 148.8 | 155 | -112.9 | -79.4 | 0 | 0 | 0 | 111.4 | ||||
| 511 | E | 32.5 | Very low | 31.9 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -95.2 | 145.6 | -154.8 | -152.5 | 167.1 | 131.6 | 0 | 0 | 114.2 | H513 | E511-H513 PolarHBondContact O-N 3.42Š| ||
| 512 | N | 30 | Very low | 32.4 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -63 | 124.7 | -177.8 | -74.1 | -40.5 | 0 | 0 | 0 | 112.9 | ||||
| 513 | H | 33.2 | Very low | 33.3 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | -142.9 | 83.7 | 160.1 | -90.2 | 72.4 | 0 | 0 | 0 | 110.7 | E511 H515 | E511-H513 PolarHBondContact O-N 3.42Å; H513-H515 PolarHBondContact O-N 3.31Å | ||
| 514 | T | 31.5 | Very low | 33.7 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -86.8 | 101.8 | 177.6 | 47.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 515 | H | 37.3 | Very low | 33.9 | Very low | 160 Ų | 160 | 146 Ų | 146 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -88.5 | 114.3 | 169.8 | -74.9 | -80.9 | 0 | 0 | 0 | 111 | H513 I517 | H513-H515 PolarHBondContact O-N 3.31Å; H515-I517 PolarHBondContact O-N 3.3Å | ||
| 516 | H | 32.8 | Very low | 34.2 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 78% | 0.778 | 82% | 0.815 | S | S | * | * | trans | -73.3 | 114.1 | 176 | -61.8 | -95.2 | 0 | 0 | 0 | 110.7 | T518 | H516-T518 PolarHBondContact O-N 3.44Š| ||
| 517 | I | 33.3 | Very low | 34.3 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -91.3 | 98 | 172.9 | -58.9 | 178.1 | 0 | 0 | 0 | 108.8 | H515 | H515-I517 PolarHBondContact O-N 3.3Š| ||
| 518 | T | 36.7 | Very low | 34.6 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -74.2 | 127.8 | 170.3 | 40.5 | 0 | 0 | 0 | 0 | 110.4 | H516 A520 | H516-T518 PolarHBondContact O-N 3.44Å; T518-A520 PolarHBondContact O-N 2.97Å; T518-A520 VanDerWaalsContact O-N 3.07Å | ||
| 519 | S | 32.6 | Very low | 34.8 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -80.4 | 89 | -174.9 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 520 | A | 34.3 | Very low | 34.9 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -77.1 | 126.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T518 | T518-A520 PolarHBondContact O-N 2.97Å; T518-A520 VanDerWaalsContact O-N 3.07Å | ||
| 521 | K | 41.7 | Very low | 35 | Very low | 207 Ų | 207 | 138.9 Ų | 138.9 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | trans | -118.3 | 91.3 | -176.3 | -159.1 | 173.7 | -169.2 | 173.3 | 0 | 110.4 | ||||
| 522 | M | 40.5 | Very low | 35.2 | Very low | 172 Ų | 172 | 139 Ų | 139 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -106.8 | 139.7 | 178.1 | -70.4 | -69.2 | -84.1 | 0 | 0 | 110.6 | ||||
| 523 | A | 44.2 | Very low | 35.2 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -137.7 | 125.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 524 | V | 36.6 | Very low | 35.2 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -111.5 | 133 | -179 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 525 | S | 31.5 | Very low | 35.2 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -92.7 | 121 | 169.8 | -62.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 526 | V | 36.7 | Very low | 35.1 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | -75.9 | 141.4 | 173.2 | -148.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 527 | A | 35.3 | Very low | 35.2 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 60% | 0.603 | 83% | 0.829 | S | S | * | * | trans | -116.1 | 119 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | F529 | A527-F529 PolarHBondContact O-N 3.09Š| ||
| 528 | D | 31.5 | Very low | 35.1 | Very low | 166 Ų | 166 | 136 Ų | 136 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | -60.4 | 127.3 | 179.2 | -84 | -46.9 | 0 | 0 | 0 | 112 | ||||
| 529 | F | 37.7 | Very low | 34.8 | Very low | 196 Ų | 196 | 133.5 Ų | 133.5 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | -118.7 | 111.7 | 161.5 | -82.3 | -82.4 | 0 | 0 | 0 | 109.4 | A527 | A527-F529 PolarHBondContact O-N 3.09Š| ||
| 530 | G | 31.9 | Very low | 34.7 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | trans | -64 | 145.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 531 | S | 34.2 | Very low | 34.8 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | -62.5 | 136.4 | -177.9 | -38 | 0 | 0 | 0 | 0 | 113 | ||||
| 532 | L | 35.2 | Very low | 34.1 | Very low | 176 Ų | 176 | 135 Ų | 135 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -125.5 | 121.3 | 155.9 | -75.1 | 177.9 | 0 | 0 | 0 | 109.7 | ||||
| 533 | S | 30.3 | Very low | 33.8 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -72.9 | 138 | -174.3 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 534 | A | 33.2 | Very low | 33.2 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | trans | -66.9 | 136.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 535 | S | 31.3 | Very low | 33 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -150.4 | 133.9 | 157.4 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 536 | E | 35.2 | Very low | 32.9 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | trans | -80.1 | 149.9 | -175.2 | -55.2 | 171.2 | 109.8 | 0 | 0 | 111.7 | ||||
| 537 | T | 35.2 | Very low | 32.6 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | -175.1 | 155.5 | 125.4 | 19.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 538 | N | 31.8 | Very low | 32.3 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -79.3 | 142.5 | -178 | -68.1 | -80.7 | 0 | 0 | 0 | 112.9 | ||||
| 539 | G | 29.3 | Very low | 32.2 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -149.1 | 137.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 540 | F | 31.1 | Very low | 31.9 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -116.6 | 136.5 | -166.2 | -127.2 | -96.7 | 0 | 0 | 0 | 112.2 | ||||
| 541 | I | 36.3 | Very low | 32 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | 39 | 125 | 160.4 | 63.9 | -176.6 | 0 | 0 | 0 | 121.2 | ||||
| 542 | S | 27.6 | Very low | 32 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | 144 | 151.7 | 105 | -159.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 543 | A | 34.6 | Very low | 31.8 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | trans | -100.1 | 150.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 544 | H | 31.2 | Very low | 31.9 | Very low | 198 Ų | 198 | 134.8 Ų | 134.8 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -154.3 | 169.1 | 149.4 | -108.4 | -74.8 | 0 | 0 | 0 | 109.9 | ||||
| 545 | A | 31.5 | Very low | 32.2 | Very low | 81 Ų | 81 | 142 Ų | 142 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | trans | -136.3 | 179.4 | -161.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 546 | L | 29.7 | Very low | 32.2 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | trans | 85.3 | 133.4 | 164.9 | -90.7 | 71.6 | 0 | 0 | 0 | 120.5 | ||||
| 547 | H | 29.6 | Very low | 32.1 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 67% | 0.667 | 80% | 0.799 | S | S | * | * | trans | 77.3 | 99.7 | 142.1 | -82.1 | 63.1 | 0 | 0 | 0 | 122.4 | ||||
| 548 | Q | 30.1 | Very low | 31.9 | Very low | 145 Ų | 145 | 141 Ų | 141 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | 64.4 | 136.4 | 104.7 | -87.6 | -173.3 | -6.6 | 0 | 0 | 123.4 | |||||
| 549 | H | 30.4 | Very low | 31.9 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | 91.7 | 119.5 | 140.3 | -78.9 | -54.1 | 0 | 0 | 0 | 122.9 | ||||
| 550 | A | 31.4 | Very low | 32 | Very low | 81 Ų | 81 | 143.3 Ų | 143.3 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | 83.8 | 95.1 | 132 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 551 | A | 32.6 | Very low | 32.1 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | 44.1 | 138.2 | 118 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 552 | L | 34.4 | Very low | 31.8 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | 175.8 | 145 | 108.9 | -95.1 | 174.9 | 0 | 0 | 0 | 113.9 | |||||
| 553 | H | 31.3 | Very low | 32.1 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 79% | 0.787 | 78% | 0.783 | S | S | * | * | trans | 57.9 | 157 | 167 | -59.4 | -66.5 | 0 | 0 | 0 | 117.5 | ||||
| 554 | S | 33.2 | Very low | 31.9 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | -141.6 | 169.7 | -9.8 | -142.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 555 | E | 37.8 | Very low | 32 | Very low | 258 Ų | 258 | 141.5 Ų | 141.5 | 100% | 1.206 | 78% | 0.78 | S | S | * | * | cis | -144.8 | 0 | 17.9 | -179.6 | 173.4 | 128 | 0 | 0 | 110.1 |
Retrieved 555 of 555 residues in 99.1 ms
(Link to these results)