| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.9 | Very low | 34.3 | Very low | 182 Ų | 182 | 127.2 Ų | 127.2 | 90% | 0.897 | 63% | 0.634 | S | S | * | * | 0 | 123.9 | 0 | -118 | 156.4 | 102.8 | 0 | 0 | 107.7 | L6 | M1-L6 HydrophobicContact CE-CD1 4.26Š| |||
| 2 | N | 26.1 | Very low | 34 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 58% | 0.578 | 65% | 0.654 | S | S | * | * | trans | -77.9 | 143.1 | -175.2 | -171.3 | -18.9 | 0 | 0 | 0 | 109.9 | R4 Q5 | N2-R4 PolarHBondContact O-N 3.44Å; N2-Q5 PolarHBondContact O-N 3.33Å | ||
| 3 | L | 29.9 | Very low | 33.8 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 46% | 0.455 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -48.7 | -28.3 | 179.3 | -159.1 | 85.4 | 0 | 0 | 0 | 112.9 | L7 V102 | L3-L7 HydrophobicContact CD2-CD1 4.47Å; L3-L7 HydrophobicContact CG-CD1 4.32Å; L3-L7 WeakPolarHBondContact O-CG 3.37Å; L3-L7 PolarHBondContact O-N 3.26Å; L3-V102 HydrophobicContact CD1-CG1 4.38Å |
| 4 | R | 32.8 | Very low | 33.5 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -62.3 | -36.2 | 172.7 | -84.5 | -173.4 | 170.6 | -160.8 | -1.8 | 114.5 | N2 L8 | N2-R4 PolarHBondContact O-N 3.44Å; R4-L8 WeakPolarHBondContact O-CD1 3.3Å; R4-L8 WeakPolarHBondContact O-CG 3.41Å |
| 5 | Q | 34.6 | Very low | 33 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 55% | 0.547 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -77.5 | -33.1 | -177.2 | -80 | 173.8 | -30.4 | 0 | 0 | 112.5 | N2 | N2-Q5 PolarHBondContact O-N 3.33Å |
| 6 | L | 43.4 | Very low | 32.6 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 53% | 0.529 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -69.9 | -38.4 | 178.5 | -134.2 | 105.6 | 0 | 0 | 0 | 111.8 | M1 L8 L10 | M1-L6 HydrophobicContact CE-CD1 4.26Å; L6-L8 VanDerWaalsContact C-N 3.33Å; L6-L8 PolarHBondContact O-N 3.33Å; L6-L10 WeakPolarHBondContact O-CD1 3.28Å |
| 7 | L | 40.8 | Very low | 32.4 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 47% | 0.471 | 73% | 0.727 | S | S | . | * | H | α-helix | trans | -76.6 | -15.4 | -177.4 | -70.2 | 170.1 | 0 | 0 | 0 | 114.3 | L3 | L3-L7 HydrophobicContact CD2-CD1 4.47Å; L3-L7 HydrophobicContact CG-CD1 4.32Å; L3-L7 WeakPolarHBondContact O-CG 3.37Å; L3-L7 PolarHBondContact O-N 3.26Å |
| 8 | L | 35.6 | Very low | 32 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 70% | 0.696 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -11.1 | -179.2 | -77.9 | 168 | 0 | 0 | 0 | 113.9 | R4 L6 | R4-L8 WeakPolarHBondContact O-CD1 3.3Å; R4-L8 WeakPolarHBondContact O-CG 3.41Å; L6-L8 VanDerWaalsContact C-N 3.33Å; L6-L8 PolarHBondContact O-N 3.33Å |
| 9 | H | 33.1 | Very low | 31.7 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -104.4 | 3.8 | -176.3 | -80.7 | 37.7 | 0 | 0 | 0 | 114.3 | P11 | H9-P11 VanDerWaalsContact C-CD 3.49Š|
| 10 | L | 34.7 | Very low | 31.6 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 59% | 0.592 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -73.5 | -14.8 | -177 | -103.3 | 97 | 0 | 0 | 0 | 117.7 | L6 | L6-L10 WeakPolarHBondContact O-CD1 3.28Š|
| 11 | P | 32.9 | Very low | 31.3 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -112.5 | 51.8 | -179.1 | 39.4 | -30.4 | 0 | 0 | 0 | 114.1 | H9 | H9-P11 VanDerWaalsContact C-CD 3.49Š|
| 12 | R | 30.6 | Very low | 31 | Very low | 229 Ų | 229 | 143.9 Ų | 143.9 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -127.7 | 5.1 | 171.7 | -89 | -168.7 | 172.9 | -178.7 | -1.8 | 117.2 | ||
| 13 | Y | 30.8 | Very low | 30.9 | Very low | 232 Ų | 232 | 146.3 Ų | 146.3 | 91% | 0.91 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -129.6 | 57.4 | 173.2 | -81 | -81.2 | 0 | 0 | 0 | 112 | ||
| 14 | L | 29.6 | Very low | 30.5 | Very low | 181 Ų | 181 | 152.4 Ų | 152.4 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | trans | -136.6 | 94.9 | 160.7 | -84.2 | 168.3 | 0 | 0 | 0 | 107.8 | ||||
| 15 | G | 25.8 | Very low | 30 | Very low | 79 Ų | 79 | 155.3 Ų | 155.3 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | 168.7 | 73.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 16 | A | 27.2 | Very low | 29.5 | Very low | 102 Ų | 102 | 154.7 Ų | 154.7 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 160.7 | 110.9 | 140.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 17 | L | 30 | Very low | 28.8 | Very low | 190 Ų | 190 | 155.2 Ų | 155.2 | 100% | 0.995 | 80% | 0.804 | S | S | * | * | trans | -64.9 | 136.1 | 160.8 | -90.4 | 87.3 | 0 | 0 | 0 | 109.8 | ||||
| 18 | G | 24.6 | Very low | 27.9 | Very low | 75 Ų | 75 | 157.3 Ų | 157.3 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -166.8 | 129.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 19 | S | 25.4 | Very low | 27.3 | Very low | 114 Ų | 114 | 158.3 Ų | 158.3 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | -56.2 | 162.8 | -174.3 | 52.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 20 | P | 31.4 | Very low | 26.8 | Very low | 129 Ų | 129 | 158.2 Ų | 158.2 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | trans | -84.9 | 138.4 | -161.6 | 34.6 | -32.5 | 0 | 0 | 0 | 113.1 | ||||
| 21 | R | 24.1 | Very low | 26.2 | Very low | 246 Ų | 246 | 158.4 Ų | 158.4 | 93% | 0.928 | 84% | 0.841 | S | S | * | * | trans | -123.3 | 131.1 | 162.4 | -81.7 | -169.3 | 175.5 | -140 | 0.5 | 111 | ||||
| 22 | R | 27.3 | Very low | 25.8 | Very low | 228 Ų | 228 | 160.4 Ų | 160.4 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | trans | -55 | 141.4 | 170.4 | -58.9 | 171.2 | -159.8 | -117.7 | -2 | 110.9 | ||||
| 23 | L | 24.7 | Very low | 25.4 | Very low | 158 Ų | 158 | 155 Ų | 155 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | trans | -158.4 | 93.1 | 150.9 | -89.2 | 145.5 | 0 | 0 | 0 | 103.8 | ||||
| 24 | W | 21.9 | Very low | 24.9 | Very low | 216 Ų | 216 | 149.3 Ų | 149.3 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | 32 | 122.9 | 97.6 | -76.2 | 42.2 | 0 | 0 | 0 | 112.3 | |||||
| 25 | W | 22.5 | Very low | 25 | Very low | 250 Ų | 250 | 148 Ų | 148 | 95% | 0.947 | 84% | 0.835 | S | S | * | * | -162.9 | 136.9 | 129.4 | -98.2 | 31.7 | 0 | 0 | 0 | 109.1 | |||||
| 26 | S | 22.8 | Very low | 24.9 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -89.7 | 171.3 | -174.3 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 27 | P | 28.3 | Very low | 24.7 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 72% | 0.721 | 82% | 0.82 | S | S | * | * | trans | -93.2 | 151.3 | -162.2 | 36 | -29.9 | 0 | 0 | 0 | 112.8 | ||||
| 28 | C | 22.2 | Very low | 24.6 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 91% | 0.905 | 82% | 0.816 | S | S | * | * | trans | -104.3 | 110.3 | 155.4 | -81.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 29 | L | 23.2 | Very low | 24.5 | Very low | 155 Ų | 155 | 157.3 Ų | 157.3 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | trans | -66.8 | 136.5 | 154.7 | -82.6 | 141.5 | 0 | 0 | 0 | 108.5 | ||||
| 30 | D | 22.9 | Very low | 24.9 | Very low | 163 Ų | 163 | 155.6 Ų | 155.6 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -149.4 | 154.9 | 146.9 | -95.8 | -34 | 0 | 0 | 0 | 110.4 | ||||
| 31 | T | 21.6 | Very low | 24.6 | Very low | 117 Ų | 117 | 158.2 Ų | 158.2 | 72% | 0.718 | 82% | 0.822 | S | S | * | * | trans | -104.1 | 132.9 | -142.8 | -40.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 32 | I | 25.1 | Very low | 25.4 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 80% | 0.795 | 82% | 0.82 | S | S | * | * | trans | 28 | 128.5 | 145.3 | -52.4 | 170.8 | 0 | 0 | 0 | 121.1 | ||||
| 33 | S | 21.2 | Very low | 25.5 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 151.9 | 144.6 | 127.8 | 59.7 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 34 | S | 21.4 | Very low | 26.3 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | cis | -158.4 | 160.1 | 24.9 | 59.3 | 0 | 0 | 0 | 0 | 110.2 | G36 | S34-G36 PolarHBondContact O-N 3.41Š| ||
| 35 | V | 31.9 | Very low | 27.8 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 93% | 0.933 | 78% | 0.78 | S | S | * | * | trans | -67.8 | 118.5 | 173.4 | 175.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 36 | G | 22.8 | Very low | 29.5 | Very low | 51 Ų | 51 | 130.3 Ų | 130.3 | 53% | 0.526 | 76% | 0.759 | S | S | . | * | trans | -116.2 | 116.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S34 | S34-G36 PolarHBondContact O-N 3.41Š| ||
| 37 | S | 23.4 | Very low | 31.4 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | -58.6 | 126.2 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | R39 | S37-R39 PolarHBondContact O-N 3.5Š| ||
| 38 | W | 27.1 | Very low | 33.8 | Very low | 238 Ų | 238 | 125 Ų | 125 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | trans | -91.7 | 98.9 | 175 | -72.3 | 86 | 0 | 0 | 0 | 110.9 | ||||
| 39 | R | 22.4 | Very low | 36.7 | Very low | 233 Ų | 233 | 120.5 Ų | 120.5 | 88% | 0.879 | 69% | 0.686 | S | S | * | * | trans | -78.9 | 138.3 | 162.8 | -136.7 | -178.7 | -113.5 | -109.8 | 2.1 | 108.5 | S37 | S37-R39 PolarHBondContact O-N 3.5Š| ||
| 40 | G | 35.2 | Very low | 39.4 | Very low | 77 Ų | 77 | 115.5 Ų | 115.5 | 79% | 0.794 | 66% | 0.661 | S | S | * | * | trans | -55.7 | 139.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 41 | Q | 25.4 | Very low | 42.4 | Very low | 184 Ų | 184 | 112.4 Ų | 112.4 | 86% | 0.86 | 64% | 0.641 | S | S | * | * | trans | -134.4 | 124.9 | 156.6 | -79 | -173 | -10.4 | 0 | 0 | 109.3 | S43 | Q41-S43 PolarHBondContact O-N 3.46Š| ||
| 42 | S | 39.2 | Very low | 45.5 | Very low | 127 Ų | 127 | 107.7 Ų | 107.7 | 89% | 0.888 | 61% | 0.612 | S | S | * | * | trans | -67.2 | 121.2 | 172.8 | 64.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 43 | S | 31.1 | Very low | 48.4 | Very low | 68 Ų | 68 | 101.4 Ų | 101.4 | 48% | 0.476 | 58% | 0.581 | S | S | . | * | trans | -147.3 | 137.5 | 161 | 77 | 0 | 0 | 0 | 0 | 112.8 | Q41 | Q41-S43 PolarHBondContact O-N 3.46Š| ||
| 44 | K | 40.9 | Very low | 51.4 | Low | 178 Ų | 178 | 98.2 Ų | 98.2 | 77% | 0.774 | 56% | 0.558 | S | S | * | * | trans | -11.4 | 120 | 173.5 | -61.9 | 170.9 | -179.9 | 175.5 | 0 | 114.8 | P46 A47 | K44-P46 VanDerWaalsContact C-N 3.34Å; K44-P46 WeakPolarHBondContact O-CD 3.43Å; K44-P46 VanDerWaalsContact O-N 3.07Å; K44-A47 WeakPolarHBondContact O-CB 3.15Å; K44-A47 PolarHBondContact O-N 2.74Å | ||
| 45 | S | 54.3 | Low | 54.5 | Low | 60 Ų | 60 | 96.9 Ų | 96.9 | 42% | 0.42 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -47.3 | -35.7 | -173.4 | 59.7 | 0 | 0 | 0 | 0 | 117.1 | ||
| 46 | P | 56.7 | Low | 57.3 | Low | 79 Ų | 79 | 89.6 Ų | 89.6 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.9 | -30.9 | 178.8 | -14 | 31 | 0 | 0 | 0 | 113.4 | K44 H48 N50 | K44-P46 VanDerWaalsContact C-N 3.34Å; K44-P46 WeakPolarHBondContact O-CD 3.43Å; K44-P46 VanDerWaalsContact O-N 3.07Å; P46-H48 VanDerWaalsContact C-N 3.32Å; P46-N50 VanDerWaalsContact O-CG 3.28Å; P46-N50 PolarHBondContact O-N 3.43Å; P46-N50 PolarHBondContact O-ND2 3.29Å |
| 47 | A | 64.1 | Low | 60.3 | Low | 54 Ų | 54 | 88.9 Ų | 88.9 | 45% | 0.446 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.9 | -36 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | K44 Q51 | K44-A47 WeakPolarHBondContact O-CB 3.15Å; K44-A47 PolarHBondContact O-N 2.74Å; A47-Q51 PolarHBondContact O-N 3.25Å; A47-Q51 VanDerWaalsContact O-N 3.15Å |
| 48 | H | 78.4 | Confident | 63.4 | Low | 50 Ų | 50 | 89.3 Ų | 89.3 | 23% | 0.231 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -70.2 | -44.2 | 178.8 | -175.6 | 63 | 0 | 0 | 0 | 112.9 | P46 N50 Q51 V52 R397 | P46-H48 VanDerWaalsContact C-N 3.32Å; H48-N50 VanDerWaalsContact C-N 3.31Å; H48-N50 PolarHBondContact O-N 3.41Å; H48-Q51 WeakPolarHBondContact O-CB 3.36Å; H48-Q51 PolarHBondContact O-N 3.2Å; H48-V52 WeakPolarHBondContact O-CG2 3.46Å; H48-V52 PolarHBondContact O-N 3.42Å; H48-R397 VanDerWaalsContact CB-NH2 3.29Å; H48-R397 PolarHBondContact CD2-NH1 3.44Å; H48-R397 VanDerWaalsContact CD2-NH1 3.32Å; H48-R397 PolarHBondContact CD2-NH2 2.92Å; H48-R397 VanDerWaalsContact CD2-NH2 3.33Å; H48-R397 PolarHBondContact NE2-NH1 3.3Å |
| 49 | W | 82.1 | Confident | 66.3 | Low | 40 Ų | 40 | 79.4 Ų | 79.4 | 15% | 0.152 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -57.6 | -45.7 | 175.9 | 176.7 | -103.3 | 0 | 0 | 0 | 111.6 | Q51 V52 V53 L111 I391 A394 V395 | W49-Q51 VanDerWaalsContact C-N 3.3Å; W49-Q51 PolarHBondContact O-N 2.94Å; W49-V52 PolarHBondContact O-N 3.12Å; W49-V52 VanDerWaalsContact O-N 3.16Å; W49-V53 HydrophobicContact CD2-CG2 4.22Å; W49-V53 HydrophobicContact CZ2-CG2 3.94Å; W49-V53 WeakPolarHBondContact O-CG2 3.41Å; W49-V53 PolarHBondContact O-N 3.3Å; W49-L111 HydrophobicContact CH2-CD1 4.06Å; W49-L111 HydrophobicContact CH2-CD2 4.06Å; W49-L111 HydrophobicContact CZ2-CD1 4.02Å; W49-L111 HydrophobicContact CZ2-CD2 4.01Å; W49-I391 HydrophobicContact CH2-CG2 4.15Å; W49-I391 HydrophobicContact CZ3-CG2 4.35Å; W49-A394 HydrophobicContact CE3-CB 3.74Å; W49-A394 HydrophobicContact CZ3-CB 4.01Å; W49-V395 HydrophobicContact CH2-CG2 3.87Å; W49-V395 HydrophobicContact CZ3-CG2 3.57Å |
| 50 | N | 80.4 | Confident | 69.4 | Low | 50 Ų | 50 | 68.4 Ų | 68.4 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.3 | -34.8 | -179 | -67.7 | -8.2 | 0 | 0 | 0 | 112.7 | P46 H48 S54 R106 N107 | P46-N50 VanDerWaalsContact O-CG 3.28Å; P46-N50 PolarHBondContact O-N 3.43Å; P46-N50 PolarHBondContact O-ND2 3.29Å; H48-N50 VanDerWaalsContact C-N 3.31Å; H48-N50 PolarHBondContact O-N 3.41Å; N50-S54 VanDerWaalsContact O-CB 3.23Å; N50-S54 WeakPolarHBondContact O-CB 3.32Å; N50-S54 PolarHBondContact O-N 2.66Å; N50-R106 PolarHBondContact OD1-O 3.12Å; N50-N107 VanDerWaalsContact CG-OD1 3.23Å; N50-N107 PolarHBondContact ND2-OD1 3.37Å; N50-N107 PolarHBondContact OD1-OD1 2.97Å |
| 51 | Q | 85.1 | Confident | 71.2 | Confident | 99 Ų | 99 | 67.1 Ų | 67.1 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.1 | -48 | 172.3 | -173.9 | -179.8 | 4.5 | 0 | 0 | 110.9 | A47 H48 W49 V53 S54 E55 | A47-Q51 PolarHBondContact O-N 3.25Å; A47-Q51 VanDerWaalsContact O-N 3.15Å; H48-Q51 WeakPolarHBondContact O-CB 3.36Å; H48-Q51 PolarHBondContact O-N 3.2Å; W49-Q51 VanDerWaalsContact C-N 3.3Å; W49-Q51 PolarHBondContact O-N 2.94Å; Q51-V53 PolarHBondContact O-N 3.35Å; Q51-S54 PolarHBondContact O-N 2.87Å; Q51-E55 WeakPolarHBondContact O-CG 3.24Å; Q51-E55 PolarHBondContact O-N 2.87Å |
| 52 | V | 88.1 | Confident | 73 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 11% | 0.109 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 179.2 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | H48 W49 E55 A56 N390 I391 A394 | H48-V52 WeakPolarHBondContact O-CG2 3.46Å; H48-V52 PolarHBondContact O-N 3.42Å; W49-V52 PolarHBondContact O-N 3.12Å; W49-V52 VanDerWaalsContact O-N 3.16Å; V52-E55 PolarHBondContact O-N 3.05Å; V52-A56 WeakPolarHBondContact O-CB 3.42Å; V52-A56 PolarHBondContact O-N 3.01Å; V52-N390 HydrophobicContact CG1-CB 4.14Å; V52-I391 HydrophobicContact CG1-CG1 3.83Å; V52-A394 HydrophobicContact CG1-CB 4.4Å; V52-A394 HydrophobicContact CG2-CB 4.2Å |
| 53 | V | 84.3 | Confident | 73.8 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 177 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | W49 Q51 E55 A56 E57 L114 | W49-V53 HydrophobicContact CD2-CG2 4.22Å; W49-V53 HydrophobicContact CZ2-CG2 3.94Å; W49-V53 WeakPolarHBondContact O-CG2 3.41Å; W49-V53 PolarHBondContact O-N 3.3Å; Q51-V53 PolarHBondContact O-N 3.35Å; V53-E55 PolarHBondContact O-N 3.26Å; V53-A56 WeakPolarHBondContact O-CB 3.43Å; V53-A56 PolarHBondContact O-N 2.86Å; V53-E57 HydrophobicContact CG1-CG 4.47Å; V53-E57 WeakPolarHBondContact O-CG 3.36Å; V53-E57 PolarHBondContact O-N 3.12Å; V53-L114 HydrophobicContact CG1-CD2 4.01Å |
| 54 | S | 84.2 | Confident | 74.9 | Confident | 48 Ų | 48 | 57 Ų | 57 | 34% | 0.336 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 179.9 | -174.3 | 0 | 0 | 0 | 0 | 112.9 | N50 Q51 E57 K58 | N50-S54 VanDerWaalsContact O-CB 3.23Å; N50-S54 WeakPolarHBondContact O-CB 3.32Å; N50-S54 PolarHBondContact O-N 2.66Å; Q51-S54 PolarHBondContact O-N 2.87Å; S54-E57 PolarHBondContact O-N 3.27Å; S54-K58 WeakPolarHBondContact O-CG 3.38Å; S54-K58 PolarHBondContact O-N 2.94Å |
| 55 | E | 87.9 | Confident | 75.3 | Confident | 86 Ų | 86 | 50 Ų | 50 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 174.1 | -64.9 | -47.4 | 133.2 | 0 | 0 | 111.5 | Q51 V52 V53 E57 K58 I59 | Q51-E55 WeakPolarHBondContact O-CG 3.24Å; Q51-E55 PolarHBondContact O-N 2.87Å; V52-E55 PolarHBondContact O-N 3.05Å; V53-E55 PolarHBondContact O-N 3.26Å; E55-E57 PolarHBondContact O-N 3.49Å; E55-K58 PolarHBondContact O-N 3.48Å; E55-K58 IonicContact OE1-NZ 3.09Å; E55-K58 PolarHBondContact OE1-NZ 2.9Å; E55-K58 IonicContact OE2-NZ 3.28Å; E55-K58 PolarHBondContact OE2-NZ 2.99Å; E55-K58 VanDerWaalsContact OE2-NZ 3.09Å; E55-I59 WeakPolarHBondContact O-CG1 3.35Å; E55-I59 PolarHBondContact O-N 3.24Å |
| 56 | A | 89.4 | Confident | 75.1 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V52 V53 K58 I59 L114 L118 A387 I391 | V52-A56 WeakPolarHBondContact O-CB 3.42Å; V52-A56 PolarHBondContact O-N 3.01Å; V53-A56 WeakPolarHBondContact O-CB 3.43Å; V53-A56 PolarHBondContact O-N 2.86Å; A56-K58 VanDerWaalsContact C-N 3.31Å; A56-K58 PolarHBondContact O-N 3.46Å; A56-I59 PolarHBondContact O-N 3.07Å; A56-L114 HydrophobicContact CB-CD1 4.35Å; A56-L114 HydrophobicContact CB-CD2 3.88Å; A56-L114 HydrophobicContact CB-CG 4.38Å; A56-L118 HydrophobicContact CB-CD1 3.98Å; A56-A387 HydrophobicContact CB-CB 4.31Å; A56-I391 HydrophobicContact CB-CD1 4.27Å |
| 57 | E | 86.7 | Confident | 75.1 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 176.2 | -74.5 | -177.6 | 132.2 | 0 | 0 | 112.4 | V53 S54 E55 I59 V60 G61 T64 L114 | V53-E57 HydrophobicContact CG1-CG 4.47Å; V53-E57 WeakPolarHBondContact O-CG 3.36Å; V53-E57 PolarHBondContact O-N 3.12Å; S54-E57 PolarHBondContact O-N 3.27Å; E55-E57 PolarHBondContact O-N 3.49Å; E57-I59 VanDerWaalsContact C-N 3.31Å; E57-I59 PolarHBondContact O-N 3.2Å; E57-V60 VanDerWaalsContact O-CG2 3.23Å; E57-V60 WeakPolarHBondContact O-CG2 3.14Å; E57-V60 PolarHBondContact O-N 2.98Å; E57-G61 PolarHBondContact O-N 3.27Å; E57-T64 PolarHBondContact OE1-OG1 3.24Å; E57-T64 VanDerWaalsContact OE1-OG1 3.05Å; E57-L114 HydrophobicContact CG-CD1 4.28Å; E57-L114 HydrophobicContact CG-CD2 4.13Å |
| 58 | K | 87.7 | Confident | 74.5 | Confident | 128 Ų | 128 | 48.2 Ų | 48.2 | 56% | 0.557 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.1 | -38.3 | 177.8 | -68.3 | 170.9 | -167.5 | 169.7 | 0 | 111.9 | S54 E55 A56 V60 G61 | S54-K58 WeakPolarHBondContact O-CG 3.38Å; S54-K58 PolarHBondContact O-N 2.94Å; E55-K58 PolarHBondContact O-N 3.48Å; E55-K58 IonicContact OE1-NZ 3.09Å; E55-K58 PolarHBondContact OE1-NZ 2.9Å; E55-K58 IonicContact OE2-NZ 3.28Å; E55-K58 PolarHBondContact OE2-NZ 2.99Å; E55-K58 VanDerWaalsContact OE2-NZ 3.09Å; A56-K58 VanDerWaalsContact C-N 3.31Å; A56-K58 PolarHBondContact O-N 3.46Å; K58-V60 VanDerWaalsContact C-N 3.33Å; K58-V60 PolarHBondContact O-N 3.42Å; K58-G61 PolarHBondContact O-N 3.39Å; K58-G61 VanDerWaalsContact O-N 3.13Å |
| 59 | I | 89.6 | Confident | 73.1 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 16% | 0.159 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.8 | -36.7 | -176.4 | -69.7 | 164.5 | 0 | 0 | 0 | 112 | E55 A56 E57 G61 L118 K121 E383 A384 A387 | E55-I59 WeakPolarHBondContact O-CG1 3.35Å; E55-I59 PolarHBondContact O-N 3.24Å; A56-I59 PolarHBondContact O-N 3.07Å; E57-I59 VanDerWaalsContact C-N 3.31Å; E57-I59 PolarHBondContact O-N 3.2Å; I59-G61 VanDerWaalsContact C-N 3.26Å; I59-G61 PolarHBondContact O-N 3.42Å; I59-L118 HydrophobicContact CB-CD2 4.39Å; I59-L118 HydrophobicContact CG2-CD2 4.1Å; I59-K121 HydrophobicContact CG2-CD 3.83Å; I59-K121 WeakPolarHBondContact O-CD 3.25Å; I59-K121 WeakPolarHBondContact O-CE 3.29Å; I59-K121 PolarHBondContact O-NZ 3.5Å; I59-E383 HydrophobicContact CD1-CB 4.25Å; I59-E383 HydrophobicContact CG1-CB 4.43Å; I59-E383 HydrophobicContact CG2-CB 4.39Å; I59-A384 HydrophobicContact CG2-CB 4.15Å; I59-A387 HydrophobicContact CD1-CB 3.61Å |
| 60 | V | 86.9 | Confident | 72 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -80.7 | -8.4 | 179 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | E57 K58 Y62 L114 L117 L118 I141 | E57-V60 VanDerWaalsContact O-CG2 3.23Å; E57-V60 WeakPolarHBondContact O-CG2 3.14Å; E57-V60 PolarHBondContact O-N 2.98Å; K58-V60 VanDerWaalsContact C-N 3.33Å; K58-V60 PolarHBondContact O-N 3.42Å; V60-Y62 PolarHBondContact O-N 3.08Å; V60-L114 HydrophobicContact CG1-CD1 4.32Å; V60-L114 HydrophobicContact CG2-CD1 3.87Å; V60-L117 HydrophobicContact CB-CB 4.12Å; V60-L117 HydrophobicContact CB-CD1 4.37Å; V60-L117 HydrophobicContact CG1-CB 3.7Å; V60-L117 HydrophobicContact CG2-CD1 4.18Å; V60-L118 HydrophobicContact CG1-CD2 3.7Å; V60-L118 HydrophobicContact CG1-CG 3.94Å; V60-I141 HydrophobicContact CB-CD1 4.11Å; V60-I141 HydrophobicContact CG1-CD1 4.19Å |
| 61 | G | 72.9 | Confident | 70.8 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 7.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E57 K58 I59 | E57-G61 PolarHBondContact O-N 3.27Å; K58-G61 PolarHBondContact O-N 3.39Å; K58-G61 VanDerWaalsContact O-N 3.13Å; I59-G61 VanDerWaalsContact C-N 3.26Å; I59-G61 PolarHBondContact O-N 3.42Å |
| 62 | Y | 62.9 | Low | 69.4 | Low | 95 Ų | 95 | 53.5 Ų | 53.5 | 37% | 0.373 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -140.1 | 124.9 | 175.2 | -146.2 | -99.4 | 0 | 0 | 0 | 108 | V60 T64 F66 M67 | V60-Y62 PolarHBondContact O-N 3.08Å; Y62-T64 PolarHBondContact O-N 2.99Å; Y62-T64 VanDerWaalsContact O-N 3.08Å; Y62-F66 HydrophobicContact CD1-CB 4.34Å; Y62-F66 HydrophobicContact CE1-CB 3.9Å; Y62-F66 AromaticContact CE1-CD1 3.64Å; Y62-F66 HydrophobicContact CE1-CD1 3.64Å; Y62-F66 HydrophobicContact CE1-CG 4.09Å; Y62-F66 AromaticContact CZ-CD1 3.82Å; Y62-F66 WeakPolarHBondContact OH-CD1 3.21Å; Y62-F66 WeakPolarHBondContact OH-CE1 3.4Å; Y62-M67 HydrophobicContact CE1-CE 4.46Å |
| 63 | P | 55.7 | Low | 67.9 | Low | 63 Ų | 63 | 57.9 Ų | 57.9 | 41% | 0.409 | 30% | 0.3 | S | S | . | . | trans | -61.1 | 120.1 | 174.3 | -11.2 | 23.6 | 0 | 0 | 0 | 107.1 | S65 F66 | P63-S65 WeakPolarHBondContact CB-OG 3.4Å; P63-S65 PolarHBondContact O-N 2.8Å; P63-S65 VanDerWaalsContact O-N 3.12Å; P63-F66 HydrophobicContact CB-CB 4.37Å; P63-F66 VanDerWaalsContact O-CB 3.28Å; P63-F66 WeakPolarHBondContact O-CB 3.4Å; P63-F66 PolarHBondContact O-N 3.14Å | ||
| 64 | T | 53.9 | Low | 67.2 | Low | 7 Ų | 7 | 58.3 Ų | 58.3 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.6 | -30.1 | 169.7 | 39.9 | 0 | 0 | 0 | 0 | 109.2 | E57 Y62 F66 M67 Q110 L114 L117 | E57-T64 PolarHBondContact OE1-OG1 3.24Å; E57-T64 VanDerWaalsContact OE1-OG1 3.05Å; Y62-T64 PolarHBondContact O-N 2.99Å; Y62-T64 VanDerWaalsContact O-N 3.08Å; T64-F66 PolarHBondContact O-N 3.16Å; T64-F66 VanDerWaalsContact O-N 3.09Å; T64-M67 WeakPolarHBondContact O-CA 3.43Å; T64-M67 WeakPolarHBondContact O-CB 3.42Å; T64-M67 WeakPolarHBondContact O-CG 3.42Å; T64-M67 PolarHBondContact O-N 3.15Å; T64-Q110 VanDerWaalsContact O-CD 3.28Å; T64-Q110 PolarHBondContact O-NE2 3.17Å; T64-Q110 PolarHBondContact O-OE1 3.48Å; T64-Q110 PolarHBondContact OG1-OE1 3.41Å; T64-L114 HydrophobicContact CG2-CB 4.12Å; T64-L114 HydrophobicContact CG2-CD1 4.46Å; T64-L117 HydrophobicContact CG2-CD1 3.87Å |
| 65 | S | 49.5 | Very low | 66.7 | Low | 31 Ų | 31 | 61.7 Ų | 61.7 | 22% | 0.217 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.4 | -26 | 176 | 50.8 | 0 | 0 | 0 | 0 | 113.3 | P63 M67 L69 Q110 | P63-S65 WeakPolarHBondContact CB-OG 3.4Å; P63-S65 PolarHBondContact O-N 2.8Å; P63-S65 VanDerWaalsContact O-N 3.12Å; S65-M67 VanDerWaalsContact C-N 3.33Å; S65-L69 WeakPolarHBondContact O-CG 3.3Å; S65-L69 PolarHBondContact O-N 3.01Å; S65-L69 VanDerWaalsContact O-N 3.09Å; S65-Q110 VanDerWaalsContact CA-OE1 3.26Å |
| 66 | F | 50.7 | Low | 65.8 | Low | 101 Ų | 101 | 62.3 Ų | 62.3 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.6 | -26.4 | 173.3 | -156.7 | -93.1 | 0 | 0 | 0 | 112.8 | Y62 P63 T64 L69 R70 | Y62-F66 HydrophobicContact CD1-CB 4.34Å; Y62-F66 HydrophobicContact CE1-CB 3.9Å; Y62-F66 AromaticContact CE1-CD1 3.64Å; Y62-F66 HydrophobicContact CE1-CD1 3.64Å; Y62-F66 HydrophobicContact CE1-CG 4.09Å; Y62-F66 AromaticContact CZ-CD1 3.82Å; Y62-F66 WeakPolarHBondContact OH-CD1 3.21Å; Y62-F66 WeakPolarHBondContact OH-CE1 3.4Å; P63-F66 HydrophobicContact CB-CB 4.37Å; P63-F66 VanDerWaalsContact O-CB 3.28Å; P63-F66 WeakPolarHBondContact O-CB 3.4Å; P63-F66 PolarHBondContact O-N 3.14Å; T64-F66 PolarHBondContact O-N 3.16Å; T64-F66 VanDerWaalsContact O-N 3.09Å; F66-L69 PolarHBondContact O-N 3.31Å; F66-R70 PolarHBondContact O-N 2.9Å |
| 67 | M | 55.5 | Low | 64.9 | Low | 35 Ų | 35 | 63.3 Ų | 63.3 | 17% | 0.172 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.3 | -48.7 | 175.4 | -43.2 | -108.2 | 61.3 | 0 | 0 | 110.4 | Y62 T64 S65 L69 R70 C71 E150 | Y62-M67 HydrophobicContact CE1-CE 4.46Å; T64-M67 WeakPolarHBondContact O-CA 3.43Å; T64-M67 WeakPolarHBondContact O-CB 3.42Å; T64-M67 WeakPolarHBondContact O-CG 3.42Å; T64-M67 PolarHBondContact O-N 3.15Å; S65-M67 VanDerWaalsContact C-N 3.33Å; M67-L69 VanDerWaalsContact C-N 3.28Å; M67-L69 PolarHBondContact O-N 2.94Å; M67-R70 PolarHBondContact O-N 2.78Å; M67-C71 WeakPolarHBondContact O-CB 3.38Å; M67-C71 PolarHBondContact O-N 2.91Å; M67-E150 HydrophobicContact CE-CG 3.26Å; M67-E150 WeakPolarHBondContact CE-OE1 3.21Å; M67-E150 HydrophobicContact CG-CG 4.48Å; M67-E150 HydrophobicContact SD-CG 3.22Å; M67-E150 WeakPolarHBondContact SD-CG 2.97Å |
| 68 | S | 51.5 | Low | 64.4 | Low | 20 Ų | 20 | 64.2 Ų | 64.2 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63 | -35.1 | 173 | -73.5 | 0 | 0 | 0 | 0 | 111.5 | L72 Q110 | S68-L72 WeakPolarHBondContact O-CB 3.42Å; S68-L72 WeakPolarHBondContact O-CD1 3.48Å; S68-L72 WeakPolarHBondContact O-CG 3.39Å; S68-L72 PolarHBondContact O-N 3.44Å; S68-Q110 VanDerWaalsContact CB-NE2 3.26Å; S68-Q110 PolarHBondContact OG-NE2 2.92Å |
| 69 | L | 50.2 | Low | 63.9 | Low | 81 Ų | 81 | 62.3 Ų | 62.3 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.4 | -46.4 | 173.7 | -79.6 | 161.9 | 0 | 0 | 0 | 112.5 | S65 F66 M67 C71 L72 L73 | S65-L69 WeakPolarHBondContact O-CG 3.3Å; S65-L69 PolarHBondContact O-N 3.01Å; S65-L69 VanDerWaalsContact O-N 3.09Å; F66-L69 PolarHBondContact O-N 3.31Å; M67-L69 VanDerWaalsContact C-N 3.28Å; M67-L69 PolarHBondContact O-N 2.94Å; L69-C71 VanDerWaalsContact C-N 3.28Å; L69-C71 PolarHBondContact O-N 3.03Å; L69-L72 PolarHBondContact O-N 3.19Å; L69-L73 HydrophobicContact CB-CD1 4.36Å; L69-L73 WeakPolarHBondContact O-CB 3.29Å; L69-L73 WeakPolarHBondContact O-CD1 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.27Å; L69-L73 PolarHBondContact O-N 3.19Å |
| 70 | R | 58.9 | Low | 63.4 | Low | 173 Ų | 173 | 62.5 Ų | 62.5 | 65% | 0.653 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.5 | -39.2 | 177.9 | -173.6 | 178.7 | 179.9 | 171.3 | -0.1 | 111.8 | F66 M67 S74 | F66-R70 PolarHBondContact O-N 2.9Å; M67-R70 PolarHBondContact O-N 2.78Å; R70-S74 PolarHBondContact O-N 2.82Å |
| 71 | C | 55 | Low | 63 | Low | 38 Ų | 38 | 65.1 Ų | 65.1 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.2 | -58.9 | 171.3 | -169.6 | 0 | 0 | 0 | 0 | 110.1 | M67 L69 L73 S74 L77 L154 | M67-C71 WeakPolarHBondContact O-CB 3.38Å; M67-C71 PolarHBondContact O-N 2.91Å; L69-C71 VanDerWaalsContact C-N 3.28Å; L69-C71 PolarHBondContact O-N 3.03Å; C71-L73 PolarHBondContact O-N 3.34Å; C71-L73 VanDerWaalsContact O-N 3.11Å; C71-S74 WeakPolarHBondContact O-CB 3.47Å; C71-S74 PolarHBondContact O-N 2.93Å; C71-L77 VanDerWaalsContact C-CD1 3.41Å; C71-L77 HydrophobicContact CB-CD1 4.26Å; C71-L77 WeakPolarHBondContact O-CB 3.47Å; C71-L77 WeakPolarHBondContact O-CD1 3.48Å; C71-L77 WeakPolarHBondContact SG-CD1 3.38Å; C71-L154 VanDerWaalsContact SG-CD2 3.51Å |
| 72 | L | 55.8 | Low | 63.4 | Low | 58 Ų | 58 | 67.8 Ų | 67.8 | 30% | 0.304 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.6 | -26.9 | -178.8 | -73.3 | 167.8 | 0 | 0 | 0 | 114.6 | S68 L69 V102 | S68-L72 WeakPolarHBondContact O-CB 3.42Å; S68-L72 WeakPolarHBondContact O-CD1 3.48Å; S68-L72 WeakPolarHBondContact O-CG 3.39Å; S68-L72 PolarHBondContact O-N 3.44Å; L69-L72 PolarHBondContact O-N 3.19Å; L72-V102 HydrophobicContact CD1-CG2 4.45Å |
| 73 | L | 55.6 | Low | 64.5 | Low | 111 Ų | 111 | 65.8 Ų | 65.8 | 58% | 0.581 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 1.3 | 179.4 | -67.3 | 169.4 | 0 | 0 | 0 | 113.3 | L69 C71 | L69-L73 HydrophobicContact CB-CD1 4.36Å; L69-L73 WeakPolarHBondContact O-CB 3.29Å; L69-L73 WeakPolarHBondContact O-CD1 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.27Å; L69-L73 PolarHBondContact O-N 3.19Å; C71-L73 PolarHBondContact O-N 3.34Å; C71-L73 VanDerWaalsContact O-N 3.11Å |
| 74 | S | 70.4 | Confident | 65.8 | Low | 31 Ų | 31 | 63.5 Ų | 63.5 | 22% | 0.217 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -66.3 | 145.3 | 170.2 | 105.6 | 0 | 0 | 0 | 0 | 110.1 | R70 C71 E76 L77 S78 | R70-S74 PolarHBondContact O-N 2.82Å; C71-S74 WeakPolarHBondContact O-CB 3.47Å; C71-S74 PolarHBondContact O-N 2.93Å; S74-E76 WeakPolarHBondContact CB-OE2 3.38Å; S74-E76 PolarHBondContact O-N 3.05Å; S74-E76 PolarHBondContact OG-N 3.42Å; S74-E76 PolarHBondContact OG-OE2 2.98Å; S74-L77 PolarHBondContact O-N 3.03Å; S74-L77 VanDerWaalsContact O-N 3.11Å; S74-L77 PolarHBondContact OG-N 2.94Å; S74-S78 PolarHBondContact O-N 3.05Å |
| 75 | D | 72.9 | Confident | 67.3 | Low | 119 Ų | 119 | 70.9 Ų | 70.9 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.1 | -35.5 | -179.4 | -71.3 | -31.9 | 0 | 0 | 0 | 111 | S78 N79 | D75-S78 PolarHBondContact O-N 3.41Å; D75-S78 PolarHBondContact O-OG 3.39Å; D75-N79 PolarHBondContact O-N 3.09Å; D75-N79 PolarHBondContact O-ND2 3.38Å |
| 76 | E | 69.5 | Low | 69.1 | Low | 99 Ų | 99 | 75.5 Ų | 75.5 | 46% | 0.463 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67 | -42 | 177.3 | -55.9 | 77.7 | -168.7 | 0 | 0 | 112.4 | S74 N79 I80 F194 | S74-E76 WeakPolarHBondContact CB-OE2 3.38Å; S74-E76 PolarHBondContact O-N 3.05Å; S74-E76 PolarHBondContact OG-N 3.42Å; S74-E76 PolarHBondContact OG-OE2 2.98Å; E76-N79 WeakPolarHBondContact O-CB 3.42Å; E76-N79 PolarHBondContact O-N 3.39Å; E76-I80 PolarHBondContact O-N 3.49Å; E76-I80 VanDerWaalsContact O-N 3.08Å; E76-F194 HydrophobicContact CB-CE1 4.08Å; E76-F194 HydrophobicContact CB-CE2 3.84Å; E76-F194 HydrophobicContact CB-CZ 3.36Å; E76-F194 HydrophobicContact CG-CE2 4.03Å; E76-F194 HydrophobicContact CG-CZ 3.86Å |
| 77 | L | 71.8 | Confident | 70.8 | Confident | 22 Ų | 22 | 70.8 Ų | 70.8 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.1 | -28.7 | 177.5 | -87.7 | 153.8 | 0 | 0 | 0 | 112.6 | C71 S74 N79 I80 A81 F194 L195 | C71-L77 VanDerWaalsContact C-CD1 3.41Å; C71-L77 HydrophobicContact CB-CD1 4.26Å; C71-L77 WeakPolarHBondContact O-CB 3.47Å; C71-L77 WeakPolarHBondContact O-CD1 3.48Å; C71-L77 WeakPolarHBondContact SG-CD1 3.38Å; S74-L77 PolarHBondContact O-N 3.03Å; S74-L77 VanDerWaalsContact O-N 3.11Å; S74-L77 PolarHBondContact OG-N 2.94Å; L77-N79 VanDerWaalsContact C-N 3.28Å; L77-N79 PolarHBondContact O-N 2.82Å; L77-I80 HydrophobicContact CD2-CD1 4.05Å; L77-I80 HydrophobicContact CG-CD1 4.41Å; L77-I80 PolarHBondContact O-N 3.38Å; L77-A81 VanDerWaalsContact O-CB 3.31Å; L77-A81 WeakPolarHBondContact O-CB 3.5Å; L77-A81 PolarHBondContact O-N 2.95Å; L77-F194 HydrophobicContact CD1-CE1 4.26Å; L77-F194 HydrophobicContact CG-CE1 4.11Å; L77-L195 HydrophobicContact CD1-CD2 4.43Å; L77-L195 HydrophobicContact CD2-CD2 4.49Å |
| 78 | S | 74.5 | Confident | 72.2 | Confident | 53 Ų | 53 | 74 Ų | 74 | 37% | 0.371 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 169.2 | 86.3 | 0 | 0 | 0 | 0 | 111.6 | S74 D75 A81 M82 | S74-S78 PolarHBondContact O-N 3.05Å; D75-S78 PolarHBondContact O-N 3.41Å; D75-S78 PolarHBondContact O-OG 3.39Å; S78-A81 PolarHBondContact O-N 3.46Å; S78-M82 WeakPolarHBondContact O-CB 3.41Å; S78-M82 PolarHBondContact O-N 3.08Å |
| 79 | N | 77.3 | Confident | 73.7 | Confident | 89 Ų | 89 | 77 Ų | 77 | 48% | 0.476 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 174.6 | -73.8 | -47.2 | 0 | 0 | 0 | 111.6 | D75 E76 L77 M82 Q83 | D75-N79 PolarHBondContact O-N 3.09Å; D75-N79 PolarHBondContact O-ND2 3.38Å; E76-N79 WeakPolarHBondContact O-CB 3.42Å; E76-N79 PolarHBondContact O-N 3.39Å; L77-N79 VanDerWaalsContact C-N 3.28Å; L77-N79 PolarHBondContact O-N 2.82Å; N79-M82 PolarHBondContact O-N 3.08Å; N79-Q83 WeakPolarHBondContact O-CG 3.41Å; N79-Q83 PolarHBondContact O-N 3.4Å; N79-Q83 VanDerWaalsContact O-N 3.15Å |
| 80 | I | 79.6 | Confident | 75.6 | Confident | 34 Ų | 34 | 74 Ų | 74 | 17% | 0.174 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60 | -48.2 | 173.9 | -67.8 | 169 | 0 | 0 | 0 | 110.5 | E76 L77 M82 Q83 V84 S191 F194 | E76-I80 PolarHBondContact O-N 3.49Å; E76-I80 VanDerWaalsContact O-N 3.08Å; L77-I80 HydrophobicContact CD2-CD1 4.05Å; L77-I80 HydrophobicContact CG-CD1 4.41Å; L77-I80 PolarHBondContact O-N 3.38Å; I80-M82 VanDerWaalsContact C-N 3.27Å; I80-M82 PolarHBondContact O-N 3.13Å; I80-Q83 PolarHBondContact O-N 3.01Å; I80-V84 HydrophobicContact CG2-CG2 4.25Å; I80-V84 WeakPolarHBondContact O-CG2 3.43Å; I80-V84 PolarHBondContact O-N 3.08Å; I80-S191 WeakPolarHBondContact CG2-OG 3.48Å; I80-F194 HydrophobicContact CD1-CB 4.5Å; I80-F194 HydrophobicContact CD1-CD1 3.78Å; I80-F194 HydrophobicContact CD1-CE1 4.32Å; I80-F194 HydrophobicContact CD1-CG 4.24Å |
| 81 | A | 79.1 | Confident | 76.8 | Confident | 56 Ų | 56 | 71.9 Ų | 71.9 | 46% | 0.463 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L77 S78 Q83 V84 R85 | L77-A81 VanDerWaalsContact O-CB 3.31Å; L77-A81 WeakPolarHBondContact O-CB 3.5Å; L77-A81 PolarHBondContact O-N 2.95Å; S78-A81 PolarHBondContact O-N 3.46Å; A81-Q83 VanDerWaalsContact C-N 3.35Å; A81-Q83 PolarHBondContact O-N 3.49Å; A81-V84 PolarHBondContact O-N 3.02Å; A81-R85 PolarHBondContact O-N 3.47Å |
| 82 | M | 82.1 | Confident | 78.5 | Confident | 107 Ų | 107 | 70 Ų | 70 | 53% | 0.527 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 174 | -175.4 | 175 | 58.9 | 0 | 0 | 112.2 | S78 N79 I80 | S78-M82 WeakPolarHBondContact O-CB 3.41Å; S78-M82 PolarHBondContact O-N 3.08Å; N79-M82 PolarHBondContact O-N 3.08Å; I80-M82 VanDerWaalsContact C-N 3.27Å; I80-M82 PolarHBondContact O-N 3.13Å |
| 83 | Q | 84.4 | Confident | 80 | Confident | 54 Ų | 54 | 69.3 Ų | 69.3 | 25% | 0.252 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.9 | -42.8 | 175.2 | -60 | -57.9 | -19.4 | 0 | 0 | 111.9 | N79 I80 A81 R85 K86 F183 I187 | N79-Q83 WeakPolarHBondContact O-CG 3.41Å; N79-Q83 PolarHBondContact O-N 3.4Å; N79-Q83 VanDerWaalsContact O-N 3.15Å; I80-Q83 PolarHBondContact O-N 3.01Å; A81-Q83 VanDerWaalsContact C-N 3.35Å; A81-Q83 PolarHBondContact O-N 3.49Å; Q83-R85 PolarHBondContact O-N 2.99Å; Q83-K86 VanDerWaalsContact O-CB 3.32Å; Q83-K86 WeakPolarHBondContact O-CB 3.31Å; Q83-K86 PolarHBondContact O-N 3.26Å; Q83-F183 HydrophobicContact CB-CZ 4.18Å; Q83-I187 HydrophobicContact CB-CD1 3.78Å; Q83-I187 HydrophobicContact CB-CG1 4.15Å; Q83-I187 HydrophobicContact CB-CG2 4.39Å; Q83-I187 HydrophobicContact CG-CD1 4.13Å |
| 84 | V | 84.3 | Confident | 81.5 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.5 | -35 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | I80 A81 K86 L87 L94 L95 A98 I187 | I80-V84 HydrophobicContact CG2-CG2 4.25Å; I80-V84 WeakPolarHBondContact O-CG2 3.43Å; I80-V84 PolarHBondContact O-N 3.08Å; A81-V84 PolarHBondContact O-N 3.02Å; V84-K86 PolarHBondContact O-N 3.37Å; V84-L87 WeakPolarHBondContact O-CB 3.42Å; V84-L87 PolarHBondContact O-N 3.28Å; V84-L94 HydrophobicContact CG2-CD2 3.94Å; V84-L94 HydrophobicContact CG2-CG 4.26Å; V84-L95 HydrophobicContact CG1-CD2 3.95Å; V84-A98 HydrophobicContact CG1-CB 3.94Å; V84-I187 HydrophobicContact CG2-CG2 3.95Å |
| 85 | R | 84.8 | Confident | 82.2 | Confident | 161 Ų | 161 | 64.7 Ų | 64.7 | 61% | 0.608 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -59.5 | -26.5 | 176.4 | -171.2 | 175.3 | 177.4 | -175.2 | -1.9 | 113.6 | A81 Q83 L87 V88 | A81-R85 PolarHBondContact O-N 3.47Å; Q83-R85 PolarHBondContact O-N 2.99Å; R85-L87 PolarHBondContact O-N 3.21Å; R85-V88 HydrophobicContact CG-CG2 4.33Å; R85-V88 WeakPolarHBondContact O-CB 3.41Å; R85-V88 WeakPolarHBondContact O-CG2 3.43Å; R85-V88 PolarHBondContact O-N 2.99Å |
| 86 | K | 86.8 | Confident | 82.7 | Confident | 129 Ų | 129 | 63 Ų | 63 | 56% | 0.561 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -68.4 | -18.8 | 176.5 | -62.2 | 177.6 | 177.5 | 171.6 | 0 | 112.8 | Q83 V84 V88 F183 | Q83-K86 VanDerWaalsContact O-CB 3.32Å; Q83-K86 WeakPolarHBondContact O-CB 3.31Å; Q83-K86 PolarHBondContact O-N 3.26Å; V84-K86 PolarHBondContact O-N 3.37Å; K86-V88 VanDerWaalsContact C-N 3.3Å; K86-F183 HydrophobicContact CB-CE1 4.03Å; K86-F183 HydrophobicContact CD-CE1 4.19Å; K86-F183 HydrophobicContact CD-CZ 4.07Å |
| 87 | L | 85.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -81.9 | -10.3 | 176.7 | -60.5 | 170.6 | 0 | 0 | 0 | 112.5 | V84 R85 G89 T90 H92 L94 L95 D180 F183 | V84-L87 WeakPolarHBondContact O-CB 3.42Å; V84-L87 PolarHBondContact O-N 3.28Å; R85-L87 PolarHBondContact O-N 3.21Å; L87-G89 PolarHBondContact O-N 2.84Å; L87-T90 WeakPolarHBondContact O-CB 3.46Å; L87-T90 WeakPolarHBondContact O-CG2 3.42Å; L87-T90 PolarHBondContact O-N 3.38Å; L87-T90 PolarHBondContact O-OG1 3.49Å; L87-H92 HydrophobicContact CD1-CB 4.49Å; L87-L94 HydrophobicContact CD1-CB 4.48Å; L87-L94 HydrophobicContact CD1-CD2 3.93Å; L87-L95 HydrophobicContact CB-CD1 4.21Å; L87-L95 HydrophobicContact CB-CD2 4.03Å; L87-L95 HydrophobicContact CB-CG 4.07Å; L87-L95 WeakPolarHBondContact O-CD1 3.43Å; L87-D180 WeakPolarHBondContact CD2-O 3.33Å; L87-F183 HydrophobicContact CD2-CD1 3.73Å; L87-F183 HydrophobicContact CD2-CE1 4.43Å; L87-F183 HydrophobicContact CG-CD1 4.27Å |
| 88 | V | 86.8 | Confident | 83.5 | Confident | 104 Ų | 104 | 59.9 Ų | 59.9 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 123.3 | -177.6 | 172.5 | 0 | 0 | 0 | 0 | 110.1 | R85 K86 L95 | R85-V88 HydrophobicContact CG-CG2 4.33Å; R85-V88 WeakPolarHBondContact O-CB 3.41Å; R85-V88 WeakPolarHBondContact O-CG2 3.43Å; R85-V88 PolarHBondContact O-N 2.99Å; K86-V88 VanDerWaalsContact C-N 3.3Å; V88-L95 HydrophobicContact CG2-CD2 4.26Å |
| 89 | G | 82.9 | Confident | 83.6 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 84% | 0.835 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.1 | -12.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L87 | L87-G89 PolarHBondContact O-N 2.84Š|
| 90 | T | 88.3 | Confident | 83.3 | Confident | 18 Ų | 18 | 61.5 Ų | 61.5 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -94.8 | 169.8 | 169.3 | 70.4 | 0 | 0 | 0 | 0 | 111.6 | L87 H92 L95 D180 | L87-T90 WeakPolarHBondContact O-CB 3.46Å; L87-T90 WeakPolarHBondContact O-CG2 3.42Å; L87-T90 PolarHBondContact O-N 3.38Å; L87-T90 PolarHBondContact O-OG1 3.49Å; T90-H92 VanDerWaalsContact C-N 3.34Å; T90-H92 WeakPolarHBondContact OG1-CB 3.46Å; T90-H92 PolarHBondContact OG1-N 3.09Å; T90-L95 WeakPolarHBondContact O-CD1 3.45Å; T90-D180 HydrophobicContact CG2-CB 3.73Å |
| 91 | Q | 86 | Confident | 82.8 | Confident | 129 Ų | 129 | 61.2 Ų | 61.2 | 60% | 0.603 | 34% | 0.335 | S | S | * | . | trans | -98.1 | 24.3 | 168.2 | -57.3 | -153.8 | 45.8 | 0 | 0 | 112.5 | P93 S174 D175 | Q91-P93 WeakPolarHBondContact O-CD 3.32Å; Q91-S174 PolarHBondContact NE2-O 3.47Å; Q91-S174 VanDerWaalsContact NE2-O 3.13Å; Q91-D175 PolarHBondContact N-O 3.36Å | ||
| 92 | H | 90.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -60.4 | 124.8 | 177.9 | -166.2 | -75.7 | 0 | 0 | 0 | 110.7 | L87 T90 L94 L95 G164 M181 G184 N185 | L87-H92 HydrophobicContact CD1-CB 4.49Å; T90-H92 VanDerWaalsContact C-N 3.34Å; T90-H92 WeakPolarHBondContact OG1-CB 3.46Å; T90-H92 PolarHBondContact OG1-N 3.09Å; H92-L94 WeakPolarHBondContact ND1-CB 3.47Å; H92-L94 PolarHBondContact ND1-N 3.17Å; H92-L94 VanDerWaalsContact ND1-N 3.18Å; H92-L94 PolarHBondContact O-N 3.42Å; H92-L95 WeakPolarHBondContact O-CB 3.42Å; H92-L95 PolarHBondContact O-N 3.44Å; H92-G164 PolarHBondContact CE1-O 3.39Å; H92-M181 HydrophobicContact CB-CE 4.09Å; H92-M181 HydrophobicContact CB-SD 4.02Å; H92-G184 VanDerWaalsContact CE1-C 3.41Å; H92-G184 WeakPolarHBondContact NE2-CA 3.33Å; H92-N185 PolarHBondContact NE2-N 2.95Å; H92-N185 VanDerWaalsContact NE2-N 3.15Å; H92-N185 PolarHBondContact NE2-OD1 3.06Å | ||
| 93 | P | 87.6 | Confident | 80.9 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.9 | -28.8 | -173.7 | -26.8 | 34.3 | 0 | 0 | 0 | 114.4 | Q91 L95 T96 T97 G164 V166 | Q91-P93 WeakPolarHBondContact O-CD 3.32Å; P93-L95 PolarHBondContact O-N 3.16Å; P93-L95 VanDerWaalsContact O-N 3.11Å; P93-T96 WeakPolarHBondContact O-CA 3.45Å; P93-T96 VanDerWaalsContact O-CB 3.31Å; P93-T96 WeakPolarHBondContact O-CB 3.48Å; P93-T96 PolarHBondContact O-N 3.19Å; P93-T97 PolarHBondContact O-N 3.12Å; P93-T97 PolarHBondContact O-OG1 3.38Å; P93-G164 WeakPolarHBondContact CB-O 3.4Å; P93-V166 HydrophobicContact CG-CG1 3.47Å; P93-V166 VanDerWaalsContact CG-CG1 3.47Å |
| 94 | L | 86.6 | Confident | 79.3 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -50.7 | -33.1 | 172.8 | -171.8 | 61.7 | 0 | 0 | 0 | 113.6 | V84 L87 H92 T97 A98 V161 I187 A188 | V84-L94 HydrophobicContact CG2-CD2 3.94Å; V84-L94 HydrophobicContact CG2-CG 4.26Å; L87-L94 HydrophobicContact CD1-CB 4.48Å; L87-L94 HydrophobicContact CD1-CD2 3.93Å; H92-L94 WeakPolarHBondContact ND1-CB 3.47Å; H92-L94 PolarHBondContact ND1-N 3.17Å; H92-L94 VanDerWaalsContact ND1-N 3.18Å; H92-L94 PolarHBondContact O-N 3.42Å; L94-T97 PolarHBondContact O-N 3.42Å; L94-A98 VanDerWaalsContact O-CB 3.27Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 3.4Å; L94-V161 HydrophobicContact CD1-CG1 3.87Å; L94-V161 HydrophobicContact CD1-CG2 4.45Å; L94-I187 HydrophobicContact CD2-CB 3.97Å; L94-I187 HydrophobicContact CD2-CG2 3.74Å; L94-A188 HydrophobicContact CD1-CB 4.21Å; L94-A188 HydrophobicContact CD2-CB 4.2Å |
| 95 | L | 84.4 | Confident | 77.4 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 20% | 0.199 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 174.6 | -71.8 | 173.1 | 0 | 0 | 0 | 112 | V84 L87 V88 T90 H92 P93 A98 R99 | V84-L95 HydrophobicContact CG1-CD2 3.95Å; L87-L95 HydrophobicContact CB-CD1 4.21Å; L87-L95 HydrophobicContact CB-CD2 4.03Å; L87-L95 HydrophobicContact CB-CG 4.07Å; L87-L95 WeakPolarHBondContact O-CD1 3.43Å; V88-L95 HydrophobicContact CG2-CD2 4.26Å; T90-L95 WeakPolarHBondContact O-CD1 3.45Å; H92-L95 WeakPolarHBondContact O-CB 3.42Å; H92-L95 PolarHBondContact O-N 3.44Å; P93-L95 PolarHBondContact O-N 3.16Å; P93-L95 VanDerWaalsContact O-N 3.11Å; L95-A98 PolarHBondContact O-N 2.95Å; L95-R99 VanDerWaalsContact O-CB 3.24Å; L95-R99 WeakPolarHBondContact O-CB 3.39Å; L95-R99 PolarHBondContact O-N 2.91Å |
| 96 | T | 83.3 | Confident | 75.5 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 110 | P93 R99 G100 | P93-T96 WeakPolarHBondContact O-CA 3.45Å; P93-T96 VanDerWaalsContact O-CB 3.31Å; P93-T96 WeakPolarHBondContact O-CB 3.48Å; P93-T96 PolarHBondContact O-N 3.19Å; T96-R99 PolarHBondContact O-N 3.24Å; T96-G100 PolarHBondContact O-N 3.41Å |
| 97 | T | 80.8 | Confident | 73.4 | Confident | 27 Ų | 27 | 62 Ų | 62 | 17% | 0.166 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 174.7 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | P93 L94 R99 G100 L101 L160 V161 | P93-T97 PolarHBondContact O-N 3.12Å; P93-T97 PolarHBondContact O-OG1 3.38Å; L94-T97 PolarHBondContact O-N 3.42Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 2.87Å; T97-G100 PolarHBondContact O-N 3.08Å; T97-G100 VanDerWaalsContact O-N 3.17Å; T97-L101 HydrophobicContact CG2-CD1 4.21Å; T97-L101 WeakPolarHBondContact O-CG 3.33Å; T97-L101 PolarHBondContact O-N 3.13Å; T97-L160 HydrophobicContact CG2-CB 4.04Å; T97-V161 HydrophobicContact CG2-CG2 3.91Å |
| 98 | A | 78.4 | Confident | 71.7 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -39 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V84 L94 L95 L101 V102 | V84-A98 HydrophobicContact CG1-CB 3.94Å; L94-A98 VanDerWaalsContact O-CB 3.27Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 3.4Å; L95-A98 PolarHBondContact O-N 2.95Å; A98-L101 WeakPolarHBondContact O-CB 3.33Å; A98-L101 PolarHBondContact O-N 3.34Å; A98-V102 WeakPolarHBondContact O-CG2 3.46Å; A98-V102 PolarHBondContact O-N 3.44Å; A98-V102 VanDerWaalsContact O-N 3.09Å |
| 99 | R | 76.9 | Confident | 69.9 | Low | 158 Ų | 158 | 60.9 Ų | 60.9 | 60% | 0.596 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.3 | -41.1 | 173.6 | -174 | 178.6 | 65.7 | -172.5 | -2.4 | 110.9 | L95 T96 T97 L101 V102 H103 | L95-R99 VanDerWaalsContact O-CB 3.24Å; L95-R99 WeakPolarHBondContact O-CB 3.39Å; L95-R99 PolarHBondContact O-N 2.91Å; T96-R99 PolarHBondContact O-N 3.24Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 2.87Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-V102 PolarHBondContact O-N 3.09Å; R99-H103 HydrophobicContact CG-CB 4.33Å; R99-H103 WeakPolarHBondContact O-CB 3.35Å; R99-H103 PolarHBondContact O-N 2.87Å |
| 100 | G | 71.2 | Confident | 68.9 | Low | 17 Ų | 17 | 57.9 Ų | 57.9 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T96 T97 V102 D104 | T96-G100 PolarHBondContact O-N 3.41Å; T97-G100 PolarHBondContact O-N 3.08Å; T97-G100 VanDerWaalsContact O-N 3.17Å; G100-V102 VanDerWaalsContact C-N 3.31Å; G100-V102 PolarHBondContact O-N 3.3Å; G100-D104 WeakPolarHBondContact O-CA 3.22Å; G100-D104 WeakPolarHBondContact O-CB 3.13Å; G100-D104 PolarHBondContact O-N 3.21Å |
| 101 | L | 69 | Low | 68.5 | Low | 28 Ų | 28 | 57.6 Ų | 57.6 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.8 | -37.7 | 175.7 | -76.5 | 159.9 | 0 | 0 | 0 | 113.7 | T97 A98 R99 L109 T157 | T97-L101 HydrophobicContact CG2-CD1 4.21Å; T97-L101 WeakPolarHBondContact O-CG 3.33Å; T97-L101 PolarHBondContact O-N 3.13Å; A98-L101 WeakPolarHBondContact O-CB 3.33Å; A98-L101 PolarHBondContact O-N 3.34Å; R99-L101 VanDerWaalsContact C-N 3.32Å; L101-L109 HydrophobicContact CB-CD2 4.32Å; L101-L109 HydrophobicContact CD2-CD2 3.24Å; L101-L109 HydrophobicContact CG-CD2 3.85Å; L101-T157 HydrophobicContact CD1-CG2 3.91Å; L101-T157 HydrophobicContact CD2-CG2 3.44Å; L101-T157 VanDerWaalsContact CD2-CG2 3.44Å; L101-T157 HydrophobicContact CG-CG2 4.26Å |
| 102 | V | 64.8 | Low | 68.7 | Low | 62 Ų | 62 | 53.1 Ų | 53.1 | 38% | 0.376 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -93.3 | -44 | -174.1 | 175.7 | 0 | 0 | 0 | 0 | 113.1 | L3 L72 A98 R99 G100 | L3-V102 HydrophobicContact CD1-CG1 4.38Å; L72-V102 HydrophobicContact CD1-CG2 4.45Å; A98-V102 WeakPolarHBondContact O-CG2 3.46Å; A98-V102 PolarHBondContact O-N 3.44Å; A98-V102 VanDerWaalsContact O-N 3.09Å; R99-V102 PolarHBondContact O-N 3.09Å; G100-V102 VanDerWaalsContact C-N 3.31Å; G100-V102 PolarHBondContact O-N 3.3Å |
| 103 | H | 55.7 | Low | 68.7 | Low | 105 Ų | 105 | 53.1 Ų | 53.1 | 49% | 0.486 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -93.8 | -25.8 | -174.1 | -79.2 | 64.6 | 0 | 0 | 0 | 113.3 | R99 S105 | R99-H103 HydrophobicContact CG-CB 4.33Å; R99-H103 WeakPolarHBondContact O-CB 3.35Å; R99-H103 PolarHBondContact O-N 2.87Å; H103-S105 VanDerWaalsContact C-N 3.31Å; H103-S105 PolarHBondContact O-N 2.96Å |
| 104 | D | 51.3 | Low | 68.9 | Low | 58 Ų | 58 | 51.2 Ų | 51.2 | 31% | 0.31 | 26% | 0.263 | S | S | . | . | trans | -97.4 | 26.4 | -174.5 | -119.1 | -2.5 | 0 | 0 | 0 | 112.8 | G100 R106 N107 | G100-D104 WeakPolarHBondContact O-CA 3.22Å; G100-D104 WeakPolarHBondContact O-CB 3.13Å; G100-D104 PolarHBondContact O-N 3.21Å; D104-R106 PolarHBondContact O-N 2.73Å; D104-N107 WeakPolarHBondContact CB-O 3.35Å; D104-N107 VanDerWaalsContact CG-O 3.23Å; D104-N107 CarbonylContact O-C 3.49Å; D104-N107 PolarHBondContact O-N 3.01Å; D104-N107 VanDerWaalsContact O-N 3.08Å; D104-N107 VanDerWaalsContact OD1-CB 3.26Å; D104-N107 WeakPolarHBondContact OD1-CB 3.47Å; D104-N107 PolarHBondContact OD1-ND2 3.25Å | ||
| 105 | S | 44.6 | Very low | 69.3 | Low | 54 Ų | 54 | 50.9 Ų | 50.9 | 38% | 0.378 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -3.8 | 161.6 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | H103 | H103-S105 VanDerWaalsContact C-N 3.31Å; H103-S105 PolarHBondContact O-N 2.96Å |
| 106 | R | 43.1 | Very low | 69.9 | Low | 199 Ų | 199 | 49.1 Ų | 49.1 | 75% | 0.751 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | -15.4 | 175.6 | -67.7 | -175.8 | 179.2 | -174.1 | -1.9 | 114.9 | N50 D104 | N50-R106 PolarHBondContact OD1-O 3.12Å; D104-R106 PolarHBondContact O-N 2.73Å |
| 107 | N | 44.1 | Very low | 70.4 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 32% | 0.321 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | 122.2 | 171.7 | -43.1 | -80 | 0 | 0 | 0 | 110.3 | N50 D104 L109 | N50-N107 VanDerWaalsContact CG-OD1 3.23Å; N50-N107 PolarHBondContact ND2-OD1 3.37Å; N50-N107 PolarHBondContact OD1-OD1 2.97Å; D104-N107 WeakPolarHBondContact CB-O 3.35Å; D104-N107 VanDerWaalsContact CG-O 3.23Å; D104-N107 CarbonylContact O-C 3.49Å; D104-N107 PolarHBondContact O-N 3.01Å; D104-N107 VanDerWaalsContact O-N 3.08Å; D104-N107 VanDerWaalsContact OD1-CB 3.26Å; D104-N107 WeakPolarHBondContact OD1-CB 3.47Å; D104-N107 PolarHBondContact OD1-ND2 3.25Å; N107-L109 PolarHBondContact O-N 3.17Å |
| 108 | S | 49.7 | Very low | 71.2 | Confident | 61 Ų | 61 | 44 Ų | 44 | 43% | 0.427 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -21.9 | 157.1 | -169.8 | 0 | 0 | 0 | 0 | 119.7 | ||
| 109 | L | 48.3 | Very low | 72.1 | Confident | 22 Ų | 22 | 42.7 Ų | 42.7 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -29.2 | -168.2 | -145.2 | 84.9 | 0 | 0 | 0 | 114.9 | L101 N107 L160 | L101-L109 HydrophobicContact CB-CD2 4.32Å; L101-L109 HydrophobicContact CD2-CD2 3.24Å; L101-L109 HydrophobicContact CG-CD2 3.85Å; N107-L109 PolarHBondContact O-N 3.17Å; L109-L160 HydrophobicContact CD1-CD1 3.79Å |
| 110 | Q | 62.8 | Low | 73 | Confident | 17 Ų | 17 | 35.2 Ų | 35.2 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 18.4 | -172 | -60.7 | 179.1 | -30.8 | 0 | 0 | 114.5 | T64 S65 S68 R112 G113 L114 E153 | T64-Q110 VanDerWaalsContact O-CD 3.28Å; T64-Q110 PolarHBondContact O-NE2 3.17Å; T64-Q110 PolarHBondContact O-OE1 3.48Å; T64-Q110 PolarHBondContact OG1-OE1 3.41Å; S65-Q110 VanDerWaalsContact CA-OE1 3.26Å; S68-Q110 VanDerWaalsContact CB-NE2 3.26Å; S68-Q110 PolarHBondContact OG-NE2 2.92Å; Q110-R112 PolarHBondContact O-N 3.26Å; Q110-G113 PolarHBondContact O-N 2.66Å; Q110-L114 WeakPolarHBondContact O-CB 3.41Å; Q110-L114 PolarHBondContact O-N 3.32Å; Q110-E153 VanDerWaalsContact CA-OE1 3.26Å; Q110-E153 WeakPolarHBondContact CA-OE1 3.38Å |
| 111 | L | 79 | Confident | 74.1 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.063 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60 | -31.6 | -176.1 | -175.6 | 64.7 | 0 | 0 | 0 | 111.5 | W49 V115 M287 I391 | W49-L111 HydrophobicContact CH2-CD1 4.06Å; W49-L111 HydrophobicContact CH2-CD2 4.06Å; W49-L111 HydrophobicContact CZ2-CD1 4.02Å; W49-L111 HydrophobicContact CZ2-CD2 4.01Å; L111-V115 HydrophobicContact CD1-CG2 4.25Å; L111-V115 HydrophobicContact CG-CG2 4.37Å; L111-V115 VanDerWaalsContact O-CB 3.25Å; L111-V115 WeakPolarHBondContact O-CB 3.42Å; L111-V115 WeakPolarHBondContact O-CG2 3.48Å; L111-V115 PolarHBondContact O-N 3.25Å; L111-M287 HydrophobicContact CD1-CE 4.46Å; L111-M287 HydrophobicContact CD2-CE 3.68Å; L111-M287 HydrophobicContact CD2-SD 4.49Å; L111-M287 HydrophobicContact CG-CE 4.34Å; L111-I391 HydrophobicContact CD1-CG2 4.28Å |
| 112 | R | 89.9 | Confident | 75.5 | Confident | 35 Ų | 35 | 35.5 Ų | 35.5 | 13% | 0.132 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.4 | -49.2 | -176.4 | -61.5 | 172.9 | 172.6 | 69.4 | 0.3 | 110.6 | Q110 L114 V115 V116 T152 E153 H156 L259 | Q110-R112 PolarHBondContact O-N 3.26Å; R112-L114 VanDerWaalsContact C-N 3.34Å; R112-L114 PolarHBondContact O-N 3.45Å; R112-V115 PolarHBondContact O-N 3.03Å; R112-V116 WeakPolarHBondContact O-CB 3.41Å; R112-V116 VanDerWaalsContact O-CG2 3.23Å; R112-V116 WeakPolarHBondContact O-CG2 3.44Å; R112-V116 PolarHBondContact O-N 3.36Å; R112-T152 HydrophobicContact CB-CG2 3.84Å; R112-E153 WeakPolarHBondContact CA-OE1 3.47Å; R112-E153 VanDerWaalsContact CB-OE1 3.25Å; R112-E153 WeakPolarHBondContact CB-OE1 3.46Å; R112-E153 PolarHBondContact N-OE1 3.41Å; R112-H156 PolarHBondContact NH1-CD2 3.32Å; R112-H156 PolarHBondContact NH1-CE1 3.21Å; R112-H156 PolarHBondContact NH1-NE2 2.87Å; R112-H156 PolarHBondContact NH2-CE1 3.46Å; R112-L259 HydrophobicContact CB-CD1 3.92Å; R112-L259 HydrophobicContact CG-CD1 4.13Å |
| 113 | G | 90.7 | Very high | 76.9 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q110 V115 V116 L117 E153 | Q110-G113 PolarHBondContact O-N 2.66Å; G113-V115 PolarHBondContact O-N 3.47Å; G113-V116 PolarHBondContact O-N 3.26Å; G113-L117 VanDerWaalsContact O-CG 3.29Å; G113-L117 WeakPolarHBondContact O-CG 3.28Å; G113-L117 PolarHBondContact O-N 3.49Å; G113-E153 PolarHBondContact N-OE1 3.25Å |
| 114 | L | 91.5 | Very high | 78.6 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 176.7 | -179.7 | 58.5 | 0 | 0 | 0 | 112.1 | V53 A56 E57 V60 T64 Q110 R112 V116 L117 L118 | V53-L114 HydrophobicContact CG1-CD2 4.01Å; A56-L114 HydrophobicContact CB-CD1 4.35Å; A56-L114 HydrophobicContact CB-CD2 3.88Å; A56-L114 HydrophobicContact CB-CG 4.38Å; E57-L114 HydrophobicContact CG-CD1 4.28Å; E57-L114 HydrophobicContact CG-CD2 4.13Å; V60-L114 HydrophobicContact CG1-CD1 4.32Å; V60-L114 HydrophobicContact CG2-CD1 3.87Å; T64-L114 HydrophobicContact CG2-CB 4.12Å; T64-L114 HydrophobicContact CG2-CD1 4.46Å; Q110-L114 WeakPolarHBondContact O-CB 3.41Å; Q110-L114 PolarHBondContact O-N 3.32Å; R112-L114 VanDerWaalsContact C-N 3.34Å; R112-L114 PolarHBondContact O-N 3.45Å; L114-V116 VanDerWaalsContact C-N 3.34Å; L114-V116 PolarHBondContact O-N 3.48Å; L114-L117 PolarHBondContact O-N 2.94Å; L114-L118 HydrophobicContact CD1-CD1 4.31Å; L114-L118 HydrophobicContact CD1-CG 4.22Å; L114-L118 HydrophobicContact CG-CD1 4.1Å; L114-L118 HydrophobicContact CG-CG 4.46Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 WeakPolarHBondContact O-CG 3.42Å; L114-L118 PolarHBondContact O-N 3.13Å |
| 115 | V | 95.5 | Very high | 80.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.7 | 161.8 | 0 | 0 | 0 | 0 | 111.3 | L111 R112 G113 L117 L118 I119 L259 Y283 L388 | L111-V115 HydrophobicContact CD1-CG2 4.25Å; L111-V115 HydrophobicContact CG-CG2 4.37Å; L111-V115 VanDerWaalsContact O-CB 3.25Å; L111-V115 WeakPolarHBondContact O-CB 3.42Å; L111-V115 WeakPolarHBondContact O-CG2 3.48Å; L111-V115 PolarHBondContact O-N 3.25Å; R112-V115 PolarHBondContact O-N 3.03Å; G113-V115 PolarHBondContact O-N 3.47Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L117 PolarHBondContact O-N 3.43Å; V115-L118 PolarHBondContact O-N 3.28Å; V115-I119 WeakPolarHBondContact O-CB 3.33Å; V115-I119 WeakPolarHBondContact O-CG2 3.49Å; V115-I119 PolarHBondContact O-N 3.4Å; V115-L259 HydrophobicContact CB-CD1 4.04Å; V115-L259 HydrophobicContact CG1-CD1 3.73Å; V115-L259 HydrophobicContact CG1-CD2 4.28Å; V115-L259 HydrophobicContact CG1-CG 4.32Å; V115-Y283 HydrophobicContact CG1-CD1 4.28Å; V115-Y283 HydrophobicContact CG1-CE1 3.64Å; V115-L388 HydrophobicContact CG1-CD2 4.37Å; V115-L388 HydrophobicContact CG2-CD2 4.45Å |
| 116 | V | 96.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 176.2 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | R112 G113 L114 I119 S120 L148 A149 L259 A266 | R112-V116 WeakPolarHBondContact O-CB 3.41Å; R112-V116 VanDerWaalsContact O-CG2 3.23Å; R112-V116 WeakPolarHBondContact O-CG2 3.44Å; R112-V116 PolarHBondContact O-N 3.36Å; G113-V116 PolarHBondContact O-N 3.26Å; L114-V116 VanDerWaalsContact C-N 3.34Å; L114-V116 PolarHBondContact O-N 3.48Å; V116-I119 WeakPolarHBondContact O-CG2 3.18Å; V116-S120 VanDerWaalsContact O-CB 3.31Å; V116-S120 WeakPolarHBondContact O-CB 3.47Å; V116-S120 PolarHBondContact O-N 3.26Å; V116-S120 VanDerWaalsContact O-N 3.09Å; V116-S120 PolarHBondContact O-OG 3.36Å; V116-L148 HydrophobicContact CG1-CD2 4.5Å; V116-A149 HydrophobicContact CB-CB 4.16Å; V116-A149 HydrophobicContact CG1-CB 3.93Å; V116-L259 HydrophobicContact CG2-CD1 4.42Å; V116-A266 HydrophobicContact CG1-CB 4.1Å |
| 117 | L | 95.1 | Very high | 83.5 | Confident | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.4 | -42.8 | 176.4 | -67.9 | 174.6 | 0 | 0 | 0 | 112.4 | V60 T64 G113 L114 V115 S120 K121 I141 R146 A149 | V60-L117 HydrophobicContact CB-CB 4.12Å; V60-L117 HydrophobicContact CB-CD1 4.37Å; V60-L117 HydrophobicContact CG1-CB 3.7Å; V60-L117 HydrophobicContact CG2-CD1 4.18Å; T64-L117 HydrophobicContact CG2-CD1 3.87Å; G113-L117 VanDerWaalsContact O-CG 3.29Å; G113-L117 WeakPolarHBondContact O-CG 3.28Å; G113-L117 PolarHBondContact O-N 3.49Å; L114-L117 PolarHBondContact O-N 2.94Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L117 PolarHBondContact O-N 3.43Å; L117-S120 WeakPolarHBondContact O-CB 3.42Å; L117-S120 PolarHBondContact O-N 3.38Å; L117-K121 WeakPolarHBondContact O-CB 3.16Å; L117-K121 PolarHBondContact O-N 2.9Å; L117-I141 HydrophobicContact CB-CD1 4.11Å; L117-I141 HydrophobicContact CD2-CD1 4.23Å; L117-I141 HydrophobicContact CD2-CG2 4.15Å; L117-I141 WeakPolarHBondContact O-CD1 3.38Å; L117-R146 HydrophobicContact CD2-CB 4.33Å; L117-R146 HydrophobicContact CD2-CG 3.79Å; L117-A149 HydrophobicContact CD1-CB 4.44Å; L117-A149 HydrophobicContact CD2-CB 3.84Å; L117-A149 HydrophobicContact CG-CB 3.78Å |
| 118 | L | 96.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.8 | -45.2 | 178.9 | -76.9 | 173.4 | 0 | 0 | 0 | 111.8 | A56 I59 V60 L114 V115 S120 K121 A122 A384 A387 L388 I391 | A56-L118 HydrophobicContact CB-CD1 3.98Å; I59-L118 HydrophobicContact CB-CD2 4.39Å; I59-L118 HydrophobicContact CG2-CD2 4.1Å; V60-L118 HydrophobicContact CG1-CD2 3.7Å; V60-L118 HydrophobicContact CG1-CG 3.94Å; L114-L118 HydrophobicContact CD1-CD1 4.31Å; L114-L118 HydrophobicContact CD1-CG 4.22Å; L114-L118 HydrophobicContact CG-CD1 4.1Å; L114-L118 HydrophobicContact CG-CG 4.46Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 WeakPolarHBondContact O-CG 3.42Å; L114-L118 PolarHBondContact O-N 3.13Å; V115-L118 PolarHBondContact O-N 3.28Å; L118-S120 VanDerWaalsContact C-N 3.29Å; L118-S120 PolarHBondContact O-N 3.48Å; L118-K121 PolarHBondContact O-N 3.5Å; L118-A122 VanDerWaalsContact O-CB 3.3Å; L118-A122 WeakPolarHBondContact O-CB 3.44Å; L118-A122 PolarHBondContact O-N 2.86Å; L118-A384 HydrophobicContact CD2-CB 4.32Å; L118-A387 HydrophobicContact CD1-CB 4.26Å; L118-A387 HydrophobicContact CD2-CB 3.93Å; L118-L388 HydrophobicContact CB-CD1 4.17Å; L118-L388 HydrophobicContact CB-CD2 3.51Å; L118-L388 HydrophobicContact CB-CG 3.76Å; L118-L388 HydrophobicContact CD1-CD2 3.78Å; L118-L388 HydrophobicContact CD1-CG 4.19Å; L118-L388 HydrophobicContact CG-CD2 4.34Å; L118-I391 HydrophobicContact CD1-CD1 3.66Å |
| 119 | I | 97.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65 | -37 | 177.5 | -160.8 | 72.4 | 0 | 0 | 0 | 110.7 | V115 V116 K121 A122 A123 C263 M267 A280 Y283 L376 F379 L388 | V115-I119 WeakPolarHBondContact O-CB 3.33Å; V115-I119 WeakPolarHBondContact O-CG2 3.49Å; V115-I119 PolarHBondContact O-N 3.4Å; V116-I119 WeakPolarHBondContact O-CG2 3.18Å; I119-K121 PolarHBondContact O-N 3.09Å; I119-A122 PolarHBondContact O-N 2.68Å; I119-A123 WeakPolarHBondContact O-CB 3.45Å; I119-A123 PolarHBondContact O-N 3.46Å; I119-C263 HydrophobicContact CG2-CB 4.23Å; I119-M267 HydrophobicContact CG1-CE 4.47Å; I119-M267 HydrophobicContact CG2-CE 4.33Å; I119-A280 HydrophobicContact CG1-CB 4.19Å; I119-Y283 HydrophobicContact CD1-CD1 4.19Å; I119-Y283 HydrophobicContact CD1-CG 4.38Å; I119-L376 HydrophobicContact CD1-CD2 3.81Å; I119-F379 HydrophobicContact CD1-CD1 4.33Å; I119-F379 HydrophobicContact CD1-CD2 4.31Å; I119-F379 HydrophobicContact CD1-CE1 3.96Å; I119-F379 HydrophobicContact CD1-CE2 3.91Å; I119-F379 HydrophobicContact CD1-CZ 3.73Å; I119-F379 HydrophobicContact CG1-CE1 4.12Å; I119-F379 HydrophobicContact CG1-CZ 4.09Å; I119-L388 HydrophobicContact CB-CD1 4.27Å; I119-L388 HydrophobicContact CD1-CD1 3.75Å |
| 120 | S | 96.3 | Very high | 84.7 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.7 | -47.5 | 172.4 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | V116 L117 L118 G124 Q145 | V116-S120 VanDerWaalsContact O-CB 3.31Å; V116-S120 WeakPolarHBondContact O-CB 3.47Å; V116-S120 PolarHBondContact O-N 3.26Å; V116-S120 VanDerWaalsContact O-N 3.09Å; V116-S120 PolarHBondContact O-OG 3.36Å; L117-S120 WeakPolarHBondContact O-CB 3.42Å; L117-S120 PolarHBondContact O-N 3.38Å; L118-S120 VanDerWaalsContact C-N 3.29Å; L118-S120 PolarHBondContact O-N 3.48Å; S120-G124 PolarHBondContact O-N 2.88Å; S120-Q145 PolarHBondContact OG-NE2 3.38Å |
| 121 | K | 95.5 | Very high | 84.1 | Confident | 50 Ų | 50 | 35.2 Ų | 35.2 | 22% | 0.217 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70 | -36.3 | 179.7 | -167.3 | 179.7 | 172.8 | 106.4 | 0 | 112.6 | I59 L117 L118 I119 G124 S139 I141 A384 | I59-K121 HydrophobicContact CG2-CD 3.83Å; I59-K121 WeakPolarHBondContact O-CD 3.25Å; I59-K121 WeakPolarHBondContact O-CE 3.29Å; I59-K121 PolarHBondContact O-NZ 3.5Å; L117-K121 WeakPolarHBondContact O-CB 3.16Å; L117-K121 PolarHBondContact O-N 2.9Å; L118-K121 PolarHBondContact O-N 3.5Å; I119-K121 PolarHBondContact O-N 3.09Å; K121-G124 PolarHBondContact O-N 3.25Å; K121-S139 PolarHBondContact NZ-O 3.35Å; K121-S139 PolarHBondContact NZ-OG 3.35Å; K121-I141 HydrophobicContact CB-CD1 4.01Å; K121-I141 HydrophobicContact CB-CG1 3.76Å; K121-I141 HydrophobicContact CG-CG1 4.23Å; K121-A384 HydrophobicContact CB-CB 3.84Å; K121-A384 HydrophobicContact CD-CB 4Å; K121-A384 HydrophobicContact CG-CB 3.93Å |
| 122 | A | 96.9 | Very high | 82.7 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.5 | -38.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L118 I119 F379 P380 A384 R385 L388 | L118-A122 VanDerWaalsContact O-CB 3.3Å; L118-A122 WeakPolarHBondContact O-CB 3.44Å; L118-A122 PolarHBondContact O-N 2.86Å; I119-A122 PolarHBondContact O-N 2.68Å; A122-F379 HydrophobicContact CB-CB 4.49Å; A122-P380 VanDerWaalsContact O-CD 3.3Å; A122-P380 WeakPolarHBondContact O-CD 3.43Å; A122-P380 VanDerWaalsContact O-CG 3.28Å; A122-P380 WeakPolarHBondContact O-CG 3.46Å; A122-A384 HydrophobicContact CB-CB 4Å; A122-R385 HydrophobicContact CB-CB 4.25Å; A122-L388 HydrophobicContact CB-CD1 4.18Å |
| 123 | A | 95.4 | Very high | 80.8 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.2 | -33.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | I119 M267 F379 | I119-A123 WeakPolarHBondContact O-CB 3.45Å; I119-A123 PolarHBondContact O-N 3.46Å; A123-M267 HydrophobicContact CB-CE 3.67Å; A123-M267 HydrophobicContact CB-SD 3.38Å; A123-M267 WeakPolarHBondContact CB-SD 3.26Å; A123-F379 HydrophobicContact CB-CD1 3.78Å; A123-F379 HydrophobicContact CB-CE1 3.84Å |
| 124 | G | 91.8 | Very high | 79 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | trans | 65.4 | -168.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S120 K121 H272 | S120-G124 PolarHBondContact O-N 2.88Å; K121-G124 PolarHBondContact O-N 3.25Å; G124-H272 PolarHBondContact O-CE1 2.99Å; G124-H272 PolarHBondContact O-NE2 3.24Å | ||
| 125 | P | 87.8 | Confident | 77.7 | Confident | 79 Ų | 79 | 53 Ų | 53 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -70.9 | 143.1 | 177.8 | 29.3 | -33.3 | 0 | 0 | 0 | 111.5 | S127 | P125-S127 PolarHBondContact O-N 3.31Š|
| 126 | S | 83.6 | Confident | 76.7 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | trans | -63.5 | 133.9 | 173.3 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | V128 A270 K271 | S126-V128 PolarHBondContact O-N 3.06Å; S126-V128 PolarHBondContact OG-N 3.31Å; S126-A270 VanDerWaalsContact CB-O 3.24Å; S126-A270 WeakPolarHBondContact CB-O 3.41Å; S126-K271 WeakPolarHBondContact CB-O 3.45Å; S126-K271 PolarHBondContact OG-O 2.94Å | ||
| 127 | S | 70.3 | Confident | 76 | Confident | 121 Ų | 121 | 64 Ų | 64 | 85% | 0.846 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.4 | 178.6 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | P125 | P125-S127 PolarHBondContact O-N 3.31Š|
| 128 | V | 62.8 | Low | 75.3 | Confident | 103 Ų | 103 | 68.1 Ų | 68.1 | 62% | 0.624 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -10.4 | -163.6 | -175.4 | 0 | 0 | 0 | 0 | 113.5 | S126 | S126-V128 PolarHBondContact O-N 3.06Å; S126-V128 PolarHBondContact OG-N 3.31Å |
| 129 | N | 53 | Low | 74.7 | Confident | 85 Ų | 85 | 70.7 Ų | 70.7 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | trans | -148.3 | 105.1 | -178.7 | -90.5 | -49.1 | 0 | 0 | 0 | 114.7 | S131 | N129-S131 PolarHBondContact O-N 3.01Š| ||
| 130 | T | 50.5 | Low | 74.1 | Confident | 127 Ų | 127 | 72 Ų | 72 | 78% | 0.779 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -3.6 | 169.9 | -28.4 | 0 | 0 | 0 | 0 | 113.3 | Q133 | T130-Q133 WeakPolarHBondContact O-CG 3.36Å; T130-Q133 PolarHBondContact O-NE2 3.48Å |
| 131 | S | 50.5 | Low | 73.9 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.3 | -175.5 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | N129 Q133 | N129-S131 PolarHBondContact O-N 3.01Å; S131-Q133 PolarHBondContact O-N 3.28Å |
| 132 | C | 50.5 | Low | 73.7 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 12% | 0.122 | 41% | 0.412 | C | S | . | . | trans | -73.7 | 29.7 | 169.9 | -107.2 | 0 | 0 | 0 | 0 | 113.3 | N134 | C132-N134 PolarHBondContact O-N 2.97Å; C132-N134 VanDerWaalsContact O-N 3.16Å | ||
| 133 | Q | 49.6 | Very low | 73.3 | Confident | 161 Ų | 161 | 72.8 Ų | 72.8 | 75% | 0.752 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -3.5 | -176.8 | -72.4 | -179.3 | -2.5 | 0 | 0 | 114.4 | T130 S131 | T130-Q133 WeakPolarHBondContact O-CG 3.36Å; T130-Q133 PolarHBondContact O-NE2 3.48Å; S131-Q133 PolarHBondContact O-N 3.28Å |
| 134 | N | 53.3 | Low | 73.2 | Confident | 147 Ų | 147 | 72.6 Ų | 72.6 | 79% | 0.786 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -1.2 | -175.2 | -70.4 | -11.8 | 0 | 0 | 0 | 114.8 | C132 | C132-N134 PolarHBondContact O-N 2.97Å; C132-N134 VanDerWaalsContact O-N 3.16Å |
| 135 | Y | 63.3 | Low | 73.3 | Confident | 96 Ų | 96 | 71.9 Ų | 71.9 | 38% | 0.376 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -118.9 | 115.5 | 178 | -65.4 | -79.2 | 0 | 0 | 0 | 110.6 | M137 C144 | Y135-M137 PolarHBondContact O-N 2.92Å; Y135-C144 HydrophobicContact CD1-CB 4.24Å; Y135-C144 HydrophobicContact CE1-CB 4.2Å |
| 136 | D | 75 | Confident | 73.4 | Confident | 137 Ų | 137 | 69.9 Ų | 69.9 | 73% | 0.733 | 40% | 0.4 | S | S | * | . | trans | -58.8 | 120.2 | 175 | -74.7 | -24.6 | 0 | 0 | 0 | 110.2 | S143 | D136-S143 PolarHBondContact O-N 3.33Š| ||
| 137 | M | 81.2 | Confident | 73.8 | Confident | 95 Ų | 95 | 71.2 Ų | 71.2 | 47% | 0.468 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.2 | 174 | -169.3 | 178 | 65.2 | 0 | 0 | 108.9 | Y135 G140 I141 Y142 | Y135-M137 PolarHBondContact O-N 2.92Å; M137-G140 VanDerWaalsContact SD-CA 3.57Å; M137-I141 WeakPolarHBondContact CA-O 3.34Å; M137-I141 WeakPolarHBondContact CG-O 3.23Å; M137-Y142 HydrophobicContact CB-CD1 4.41Å |
| 138 | V | 80.3 | Confident | 75 | Confident | 91 Ų | 91 | 65.5 Ų | 65.5 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.7 | 171.8 | 179.8 | 0 | 0 | 0 | 0 | 107 | G140 I141 R146 | V138-G140 PolarHBondContact O-N 3.38Å; V138-I141 PolarHBondContact N-O 2.89Å; V138-I141 VanDerWaalsContact N-O 3.12Å; V138-I141 PolarHBondContact O-N 3.41Å; V138-R146 PolarHBondContact O-NH1 2.85Å; V138-R146 PolarHBondContact O-NH2 3.07Å |
| 139 | S | 82.9 | Confident | 76.4 | Confident | 54 Ų | 54 | 60.7 Ų | 60.7 | 38% | 0.378 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 33.2 | 177.5 | -161 | 0 | 0 | 0 | 0 | 114.8 | K121 | K121-S139 PolarHBondContact NZ-O 3.35Å; K121-S139 PolarHBondContact NZ-OG 3.35Å |
| 140 | G | 86.1 | Confident | 78.1 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 14.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | M137 V138 | M137-G140 VanDerWaalsContact SD-CA 3.57Å; V138-G140 PolarHBondContact O-N 3.38Å |
| 141 | I | 91.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.6 | 179.4 | -54.5 | 169.5 | 0 | 0 | 0 | 108.8 | V60 L117 K121 M137 V138 Q145 R146 | V60-I141 HydrophobicContact CB-CD1 4.11Å; V60-I141 HydrophobicContact CG1-CD1 4.19Å; L117-I141 HydrophobicContact CB-CD1 4.11Å; L117-I141 HydrophobicContact CD2-CD1 4.23Å; L117-I141 HydrophobicContact CD2-CG2 4.15Å; L117-I141 WeakPolarHBondContact O-CD1 3.38Å; K121-I141 HydrophobicContact CB-CD1 4.01Å; K121-I141 HydrophobicContact CB-CG1 3.76Å; K121-I141 HydrophobicContact CG-CG1 4.23Å; M137-I141 WeakPolarHBondContact CA-O 3.34Å; M137-I141 WeakPolarHBondContact CG-O 3.23Å; V138-I141 PolarHBondContact N-O 2.89Å; V138-I141 VanDerWaalsContact N-O 3.12Å; V138-I141 PolarHBondContact O-N 3.41Å; I141-Q145 HydrophobicContact CG2-CB 3.85Å; I141-R146 HydrophobicContact CG2-CG 4.05Å; I141-R146 PolarHBondContact O-NH1 3.28Å |
| 142 | Y | 91 | Very high | 82.2 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 9% | 0.09 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 150.3 | 176.6 | -66.4 | -73.5 | 0 | 0 | 0 | 112.2 | M137 C144 Q145 R146 A270 | M137-Y142 HydrophobicContact CB-CD1 4.41Å; Y142-C144 VanDerWaalsContact C-N 3.3Å; Y142-C144 PolarHBondContact O-N 3.07Å; Y142-Q145 PolarHBondContact O-N 3.35Å; Y142-R146 PolarHBondContact O-N 3.04Å; Y142-R146 VanDerWaalsContact O-N 3.15Å; Y142-A270 HydrophobicContact CD2-CB 4.01Å; Y142-A270 HydrophobicContact CE2-CB 3.88Å |
| 143 | S | 89.4 | Confident | 84.1 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.1 | -40.9 | 175.4 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | D136 Q145 R146 S147 | D136-S143 PolarHBondContact O-N 3.33Å; S143-Q145 VanDerWaalsContact C-N 3.34Å; S143-Q145 PolarHBondContact O-N 3.34Å; S143-R146 WeakPolarHBondContact O-CB 3.49Å; S143-R146 PolarHBondContact O-N 3.49Å; S143-S147 PolarHBondContact O-N 3.06Å; S143-S147 PolarHBondContact O-OG 3.48Å |
| 144 | C | 92.2 | Very high | 85.9 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.2 | -37.5 | 176.3 | 58.2 | 0 | 0 | 0 | 0 | 113 | Y135 Y142 S147 L148 L206 L269 | Y135-C144 HydrophobicContact CD1-CB 4.24Å; Y135-C144 HydrophobicContact CE1-CB 4.2Å; Y142-C144 VanDerWaalsContact C-N 3.3Å; Y142-C144 PolarHBondContact O-N 3.07Å; C144-S147 PolarHBondContact O-N 3.41Å; C144-L148 WeakPolarHBondContact O-CB 3.23Å; C144-L148 PolarHBondContact O-N 3.28Å; C144-L206 HydrophobicContact CB-CD2 4.05Å; C144-L206 WeakPolarHBondContact O-CD2 2.93Å; C144-L269 HydrophobicContact CB-CD1 4.23Å; C144-L269 HydrophobicContact CB-CD2 4.19Å |
| 145 | Q | 94 | Very high | 87.8 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.4 | -34.9 | 175.6 | -70 | 173.2 | -42.8 | 0 | 0 | 111.9 | S120 I141 Y142 S143 L148 A149 A266 L269 | S120-Q145 PolarHBondContact OG-NE2 3.38Å; I141-Q145 HydrophobicContact CG2-CB 3.85Å; Y142-Q145 PolarHBondContact O-N 3.35Å; S143-Q145 VanDerWaalsContact C-N 3.34Å; S143-Q145 PolarHBondContact O-N 3.34Å; Q145-L148 PolarHBondContact O-N 2.96Å; Q145-A149 PolarHBondContact O-N 2.94Å; Q145-A266 PolarHBondContact NE2-O 3.18Å; Q145-L269 HydrophobicContact CG-CB 4.16Å; Q145-L269 HydrophobicContact CG-CD1 4.47Å |
| 146 | R | 91.6 | Very high | 89.1 | Confident | 36 Ų | 36 | 33.6 Ų | 33.6 | 14% | 0.136 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -47.4 | 171.1 | -69.3 | -171.8 | 171.5 | 75.9 | 9.7 | 111.7 | L117 V138 I141 Y142 S143 L148 A149 E150 | L117-R146 HydrophobicContact CD2-CB 4.33Å; L117-R146 HydrophobicContact CD2-CG 3.79Å; V138-R146 PolarHBondContact O-NH1 2.85Å; V138-R146 PolarHBondContact O-NH2 3.07Å; I141-R146 HydrophobicContact CG2-CG 4.05Å; I141-R146 PolarHBondContact O-NH1 3.28Å; Y142-R146 PolarHBondContact O-N 3.04Å; Y142-R146 VanDerWaalsContact O-N 3.15Å; S143-R146 WeakPolarHBondContact O-CB 3.49Å; S143-R146 PolarHBondContact O-N 3.49Å; R146-L148 PolarHBondContact O-N 2.93Å; R146-A149 WeakPolarHBondContact O-CB 3.43Å; R146-A149 PolarHBondContact O-N 3Å; R146-E150 PolarHBondContact O-N 3.41Å |
| 147 | S | 91.6 | Very high | 89.7 | Confident | 47 Ų | 47 | 27.7 Ų | 27.7 | 33% | 0.329 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59 | -37.3 | 174.9 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | S143 C144 E150 I151 | S143-S147 PolarHBondContact O-N 3.06Å; S143-S147 PolarHBondContact O-OG 3.48Å; C144-S147 PolarHBondContact O-N 3.41Å; S147-E150 WeakPolarHBondContact O-CB 3.48Å; S147-E150 PolarHBondContact O-N 3.22Å; S147-I151 WeakPolarHBondContact O-CB 3.26Å; S147-I151 VanDerWaalsContact O-CD1 3.27Å; S147-I151 WeakPolarHBondContact O-CD1 3.31Å; S147-I151 WeakPolarHBondContact O-CG1 3.43Å; S147-I151 PolarHBondContact O-N 2.88Å |
| 148 | L | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 173.4 | -179.8 | 65.1 | 0 | 0 | 0 | 112.8 | V116 C144 Q145 R146 E150 I151 T152 L206 V211 L215 A265 A266 L269 | V116-L148 HydrophobicContact CG1-CD2 4.5Å; C144-L148 WeakPolarHBondContact O-CB 3.23Å; C144-L148 PolarHBondContact O-N 3.28Å; Q145-L148 PolarHBondContact O-N 2.96Å; R146-L148 PolarHBondContact O-N 2.93Å; L148-E150 VanDerWaalsContact C-N 3.32Å; L148-E150 PolarHBondContact O-N 3.4Å; L148-I151 PolarHBondContact O-N 2.85Å; L148-T152 WeakPolarHBondContact O-CB 3.41Å; L148-T152 PolarHBondContact O-N 2.99Å; L148-T152 PolarHBondContact O-OG1 3.35Å; L148-L206 HydrophobicContact CB-CD1 4.39Å; L148-L206 HydrophobicContact CD1-CD1 4.29Å; L148-V211 HydrophobicContact CD1-CG1 4.11Å; L148-L215 HydrophobicContact CD1-CD2 3.99Å; L148-L215 HydrophobicContact CD1-CG 4.15Å; L148-A265 HydrophobicContact CD1-CB 4.37Å; L148-A265 HydrophobicContact CD2-CB 3.65Å; L148-A266 HydrophobicContact CD2-CB 3.99Å; L148-A266 VanDerWaalsContact CD2-N 3.33Å; L148-L269 HydrophobicContact CB-CD1 3.78Å; L148-L269 HydrophobicContact CD2-CD1 3.69Å; L148-L269 HydrophobicContact CG-CD1 4.28Å |
| 149 | A | 93.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V116 L117 Q145 R146 T152 E153 | V116-A149 HydrophobicContact CB-CB 4.16Å; V116-A149 HydrophobicContact CG1-CB 3.93Å; L117-A149 HydrophobicContact CD1-CB 4.44Å; L117-A149 HydrophobicContact CD2-CB 3.84Å; L117-A149 HydrophobicContact CG-CB 3.78Å; Q145-A149 PolarHBondContact O-N 2.94Å; R146-A149 WeakPolarHBondContact O-CB 3.43Å; R146-A149 PolarHBondContact O-N 3Å; A149-T152 PolarHBondContact O-N 2.65Å; A149-E153 PolarHBondContact O-N 3.22Å; A149-E153 VanDerWaalsContact O-N 3.15Å |
| 150 | E | 88.5 | Confident | 90.8 | Very high | 63 Ų | 63 | 19.5 Ų | 19.5 | 29% | 0.294 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -60.2 | -51.3 | 173.4 | -69.3 | 173.1 | -143.1 | 0 | 0 | 112 | M67 R146 S147 L148 T152 E153 L154 | M67-E150 HydrophobicContact CE-CG 3.26Å; M67-E150 WeakPolarHBondContact CE-OE1 3.21Å; M67-E150 HydrophobicContact CG-CG 4.48Å; M67-E150 HydrophobicContact SD-CG 3.22Å; M67-E150 WeakPolarHBondContact SD-CG 2.97Å; R146-E150 PolarHBondContact O-N 3.41Å; S147-E150 WeakPolarHBondContact O-CB 3.48Å; S147-E150 PolarHBondContact O-N 3.22Å; L148-E150 VanDerWaalsContact C-N 3.32Å; L148-E150 PolarHBondContact O-N 3.4Å; E150-T152 VanDerWaalsContact C-N 3.28Å; E150-T152 PolarHBondContact O-N 3.42Å; E150-E153 PolarHBondContact O-N 3.37Å; E150-E153 VanDerWaalsContact O-N 3.16Å; E150-L154 WeakPolarHBondContact O-CG 3.21Å; E150-L154 PolarHBondContact O-N 2.7Å |
| 151 | I | 92.5 | Very high | 90.9 | Very high | 6 Ų | 6 | 18.5 Ų | 18.5 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.3 | -43.2 | 179.1 | -71.1 | 159.6 | 0 | 0 | 0 | 110.7 | S147 L148 E153 L154 I155 A199 L203 L206 | S147-I151 WeakPolarHBondContact O-CB 3.26Å; S147-I151 VanDerWaalsContact O-CD1 3.27Å; S147-I151 WeakPolarHBondContact O-CD1 3.31Å; S147-I151 WeakPolarHBondContact O-CG1 3.43Å; S147-I151 PolarHBondContact O-N 2.88Å; L148-I151 PolarHBondContact O-N 2.85Å; I151-E153 VanDerWaalsContact C-N 3.3Å; I151-E153 PolarHBondContact O-N 2.87Å; I151-L154 PolarHBondContact O-N 3.12Å; I151-I155 HydrophobicContact CG2-CD1 3.94Å; I151-I155 WeakPolarHBondContact O-CG1 3.49Å; I151-I155 PolarHBondContact O-N 3.34Å; I151-A199 HydrophobicContact CG2-CB 4.21Å; I151-L203 HydrophobicContact CD1-CD2 4.25Å; I151-L203 HydrophobicContact CD1-CG 4.37Å; I151-L203 HydrophobicContact CG2-CD1 4.33Å; I151-L203 HydrophobicContact CG2-CD2 3.72Å; I151-L203 HydrophobicContact CG2-CG 3.7Å; I151-L206 HydrophobicContact CD1-CD1 3.86Å; I151-L206 HydrophobicContact CD1-CG 4.14Å |
| 152 | T | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 178.4 | -60.3 | 0 | 0 | 0 | 0 | 111 | R112 L148 A149 E150 H156 L258 S262 | R112-T152 HydrophobicContact CB-CG2 3.84Å; L148-T152 WeakPolarHBondContact O-CB 3.41Å; L148-T152 PolarHBondContact O-N 2.99Å; L148-T152 PolarHBondContact O-OG1 3.35Å; A149-T152 PolarHBondContact O-N 2.65Å; E150-T152 VanDerWaalsContact C-N 3.28Å; E150-T152 PolarHBondContact O-N 3.42Å; T152-H156 PolarHBondContact O-N 3.18Å; T152-L258 HydrophobicContact CG2-CD1 4.27Å; T152-L258 HydrophobicContact CG2-CD2 4.32Å; T152-L258 HydrophobicContact CG2-CG 4.03Å; T152-S262 VanDerWaalsContact CG2-OG 3.24Å; T152-S262 WeakPolarHBondContact CG2-OG 3.48Å; T152-S262 WeakPolarHBondContact OG1-CB 3.44Å; T152-S262 PolarHBondContact OG1-OG 2.88Å |
| 153 | E | 89 | Confident | 90.8 | Very high | 16 Ų | 16 | 24 Ų | 24 | 8% | 0.075 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.9 | -34.2 | 177.3 | -74.1 | -60 | 160.4 | 0 | 0 | 113.2 | Q110 R112 G113 A149 E150 I151 H156 T157 | Q110-E153 VanDerWaalsContact CA-OE1 3.26Å; Q110-E153 WeakPolarHBondContact CA-OE1 3.38Å; R112-E153 WeakPolarHBondContact CA-OE1 3.47Å; R112-E153 VanDerWaalsContact CB-OE1 3.25Å; R112-E153 WeakPolarHBondContact CB-OE1 3.46Å; R112-E153 PolarHBondContact N-OE1 3.41Å; G113-E153 PolarHBondContact N-OE1 3.25Å; A149-E153 PolarHBondContact O-N 3.22Å; A149-E153 VanDerWaalsContact O-N 3.15Å; E150-E153 PolarHBondContact O-N 3.37Å; E150-E153 VanDerWaalsContact O-N 3.16Å; I151-E153 VanDerWaalsContact C-N 3.3Å; I151-E153 PolarHBondContact O-N 2.87Å; E153-H156 PolarHBondContact O-N 3.36Å; E153-T157 VanDerWaalsContact O-CB 3.28Å; E153-T157 WeakPolarHBondContact O-CB 3.35Å; E153-T157 PolarHBondContact O-N 3.44Å; E153-T157 PolarHBondContact O-OG1 2.92Å |
| 154 | L | 88.6 | Confident | 90.7 | Very high | 32 Ų | 32 | 21.9 Ų | 21.9 | 17% | 0.168 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 173.1 | -72.8 | 174.6 | 0 | 0 | 0 | 111.6 | C71 E150 I151 H156 T157 A158 L195 N198 A199 | C71-L154 VanDerWaalsContact SG-CD2 3.51Å; E150-L154 WeakPolarHBondContact O-CG 3.21Å; E150-L154 PolarHBondContact O-N 2.7Å; I151-L154 PolarHBondContact O-N 3.12Å; L154-H156 VanDerWaalsContact C-N 3.34Å; L154-H156 PolarHBondContact O-N 3.33Å; L154-T157 PolarHBondContact O-N 3.26Å; L154-A158 WeakPolarHBondContact O-CB 3.43Å; L154-A158 PolarHBondContact O-N 3.48Å; L154-L195 HydrophobicContact CD2-CD2 3.86Å; L154-N198 HydrophobicContact CD1-CB 4.44Å; L154-A199 HydrophobicContact CB-CB 4.07Å |
| 155 | I | 93.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.4 | -65.5 | 168.8 | 0 | 0 | 0 | 110 | I151 T157 A158 L159 L196 A199 L215 L219 L222 L258 | I151-I155 HydrophobicContact CG2-CD1 3.94Å; I151-I155 WeakPolarHBondContact O-CG1 3.49Å; I151-I155 PolarHBondContact O-N 3.34Å; I155-T157 VanDerWaalsContact C-N 3.34Å; I155-T157 PolarHBondContact O-N 2.96Å; I155-A158 PolarHBondContact O-N 3.15Å; I155-L159 PolarHBondContact O-N 3.07Å; I155-L159 VanDerWaalsContact O-N 3.09Å; I155-L196 HydrophobicContact CG1-CD1 4.41Å; I155-A199 HydrophobicContact CD1-CB 4.31Å; I155-A199 HydrophobicContact CG1-CB 3.61Å; I155-L215 HydrophobicContact CD1-CD1 4.22Å; I155-L219 HydrophobicContact CG2-CD1 4.3Å; I155-L222 HydrophobicContact CG2-CD1 4.12Å; I155-L258 HydrophobicContact CB-CD1 4.34Å; I155-L258 HydrophobicContact CB-CD2 4.28Å; I155-L258 HydrophobicContact CD1-CD1 4.35Å; I155-L258 HydrophobicContact CG2-CD1 4.02Å; I155-L258 HydrophobicContact CG2-CD2 3.98Å |
| 156 | H | 90.6 | Very high | 90.3 | Very high | 15 Ų | 15 | 26.1 Ų | 26.1 | 7% | 0.069 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 177.8 | -175.5 | 48.8 | 0 | 0 | 0 | 112.1 | R112 T152 E153 L154 L159 L160 L258 | R112-H156 PolarHBondContact NH1-CD2 3.32Å; R112-H156 PolarHBondContact NH1-CE1 3.21Å; R112-H156 PolarHBondContact NH1-NE2 2.87Å; R112-H156 PolarHBondContact NH2-CE1 3.46Å; T152-H156 PolarHBondContact O-N 3.18Å; E153-H156 PolarHBondContact O-N 3.36Å; L154-H156 VanDerWaalsContact C-N 3.34Å; L154-H156 PolarHBondContact O-N 3.33Å; H156-L159 WeakPolarHBondContact O-CB 3.47Å; H156-L159 PolarHBondContact O-N 2.88Å; H156-L160 WeakPolarHBondContact O-CG 3.39Å; H156-L160 PolarHBondContact O-N 2.92Å; H156-L258 HydrophobicContact CB-CD2 3.89Å |
| 157 | T | 87.6 | Confident | 90.1 | Very high | 13 Ų | 13 | 28.2 Ų | 28.2 | 8% | 0.08 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | L101 E153 L154 I155 L159 L160 V161 L195 | L101-T157 HydrophobicContact CD1-CG2 3.91Å; L101-T157 HydrophobicContact CD2-CG2 3.44Å; L101-T157 VanDerWaalsContact CD2-CG2 3.44Å; L101-T157 HydrophobicContact CG-CG2 4.26Å; E153-T157 VanDerWaalsContact O-CB 3.28Å; E153-T157 WeakPolarHBondContact O-CB 3.35Å; E153-T157 PolarHBondContact O-N 3.44Å; E153-T157 PolarHBondContact O-OG1 2.92Å; L154-T157 PolarHBondContact O-N 3.26Å; I155-T157 VanDerWaalsContact C-N 3.34Å; I155-T157 PolarHBondContact O-N 2.96Å; T157-L159 VanDerWaalsContact C-N 3.3Å; T157-L159 PolarHBondContact O-N 3.47Å; T157-L160 PolarHBondContact O-N 2.99Å; T157-V161 HydrophobicContact CG2-CG2 4.47Å; T157-V161 WeakPolarHBondContact O-CG2 3.21Å; T157-V161 PolarHBondContact O-N 3.27Å; T157-L195 HydrophobicContact CG2-CD1 3.66Å |
| 158 | A | 89.8 | Confident | 90 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.4 | -46.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L154 I155 L160 V161 H162 G192 L195 L196 | L154-A158 WeakPolarHBondContact O-CB 3.43Å; L154-A158 PolarHBondContact O-N 3.48Å; I155-A158 PolarHBondContact O-N 3.15Å; A158-L160 PolarHBondContact O-N 3.18Å; A158-V161 PolarHBondContact O-N 3.23Å; A158-H162 PolarHBondContact O-N 2.96Å; A158-G192 WeakPolarHBondContact CB-O 3.36Å; A158-L195 HydrophobicContact CB-CB 3.83Å; A158-L195 HydrophobicContact CB-CD1 4.48Å; A158-L196 HydrophobicContact CB-CB 4.4Å |
| 159 | L | 90.6 | Very high | 89.6 | Confident | 22 Ų | 22 | 35.7 Ų | 35.7 | 12% | 0.115 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 176.3 | -176.9 | 69.1 | 0 | 0 | 0 | 112.5 | I155 H156 T157 V161 H162 R163 L222 V226 | I155-L159 PolarHBondContact O-N 3.07Å; I155-L159 VanDerWaalsContact O-N 3.09Å; H156-L159 WeakPolarHBondContact O-CB 3.47Å; H156-L159 PolarHBondContact O-N 2.88Å; T157-L159 VanDerWaalsContact C-N 3.3Å; T157-L159 PolarHBondContact O-N 3.47Å; L159-V161 VanDerWaalsContact C-N 3.31Å; L159-V161 PolarHBondContact O-N 3.31Å; L159-H162 PolarHBondContact O-N 3.37Å; L159-R163 WeakPolarHBondContact O-CB 3.37Å; L159-R163 WeakPolarHBondContact O-CG 3.45Å; L159-R163 PolarHBondContact O-N 2.95Å; L159-L222 HydrophobicContact CD2-CD1 4.15Å; L159-L222 HydrophobicContact CD2-CD2 3.82Å; L159-L222 HydrophobicContact CD2-CG 4.39Å; L159-V226 HydrophobicContact CD1-CG2 3.76Å |
| 160 | L | 87.4 | Confident | 89.3 | Confident | 42 Ų | 42 | 39.5 Ų | 39.5 | 22% | 0.22 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.1 | -36.8 | 177.5 | -69.7 | 179.5 | 0 | 0 | 0 | 112.5 | T97 L109 H156 T157 A158 G164 | T97-L160 HydrophobicContact CG2-CB 4.04Å; L109-L160 HydrophobicContact CD1-CD1 3.79Å; H156-L160 WeakPolarHBondContact O-CG 3.39Å; H156-L160 PolarHBondContact O-N 2.92Å; T157-L160 PolarHBondContact O-N 2.99Å; A158-L160 PolarHBondContact O-N 3.18Å; L160-G164 PolarHBondContact O-N 3.15Å |
| 161 | V | 88.5 | Confident | 89.1 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -47.4 | 175.8 | 167.9 | 0 | 0 | 0 | 0 | 110.5 | L94 T97 T157 A158 L159 G164 A188 L195 | L94-V161 HydrophobicContact CD1-CG1 3.87Å; L94-V161 HydrophobicContact CD1-CG2 4.45Å; T97-V161 HydrophobicContact CG2-CG2 3.91Å; T157-V161 HydrophobicContact CG2-CG2 4.47Å; T157-V161 WeakPolarHBondContact O-CG2 3.21Å; T157-V161 PolarHBondContact O-N 3.27Å; A158-V161 PolarHBondContact O-N 3.23Å; L159-V161 VanDerWaalsContact C-N 3.31Å; L159-V161 PolarHBondContact O-N 3.31Å; V161-G164 WeakPolarHBondContact O-CA 3.36Å; V161-G164 PolarHBondContact O-N 3.23Å; V161-A188 HydrophobicContact CG1-CB 4.37Å; V161-A188 WeakPolarHBondContact CG1-O 3.35Å; V161-L195 HydrophobicContact CG2-CD1 4.36Å |
| 162 | H | 91.8 | Very high | 88.7 | Confident | 56 Ų | 56 | 43.3 Ų | 43.3 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65 | -37.9 | 177.8 | -74 | 165 | 0 | 0 | 0 | 112.9 | A158 L159 G164 I165 I189 G192 D193 | A158-H162 PolarHBondContact O-N 2.96Å; L159-H162 PolarHBondContact O-N 3.37Å; H162-G164 PolarHBondContact O-N 3.33Å; H162-G164 VanDerWaalsContact O-N 3.12Å; H162-I165 WeakPolarHBondContact O-CB 3.37Å; H162-I165 WeakPolarHBondContact O-CD1 3.24Å; H162-I165 VanDerWaalsContact O-CG1 3.23Å; H162-I165 WeakPolarHBondContact O-CG1 3.49Å; H162-I165 PolarHBondContact O-N 3Å; H162-I165 VanDerWaalsContact O-N 3.13Å; H162-I189 PolarHBondContact NE2-O 3.26Å; H162-I189 VanDerWaalsContact NE2-O 3.13Å; H162-G192 WeakPolarHBondContact NE2-CA 3.47Å; H162-D193 IonicContact CE1-OD1 3.59Å; H162-D193 PolarHBondContact CE1-OD1 2.99Å; H162-D193 VanDerWaalsContact CE1-OD1 3.24Å; H162-D193 PolarHBondContact NE2-N 3.41Å; H162-D193 IonicContact NE2-OD1 3.79Å; H162-D193 PolarHBondContact NE2-OD1 3.44Å; H162-D193 VanDerWaalsContact NE2-OD1 3.1Å |
| 163 | R | 87.5 | Confident | 88.1 | Confident | 82 Ų | 82 | 49.4 Ų | 49.4 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15.8 | 171.6 | -80.3 | -177.8 | 166.2 | 172.4 | 0.2 | 113.5 | L159 I165 E229 | L159-R163 WeakPolarHBondContact O-CB 3.37Å; L159-R163 WeakPolarHBondContact O-CG 3.45Å; L159-R163 PolarHBondContact O-N 2.95Å; R163-I165 VanDerWaalsContact C-N 3.29Å; R163-E229 IonicContact CZ-OE2 2.67Å; R163-E229 VanDerWaalsContact CZ-OE2 3.31Å; R163-E229 IonicContact NE-OE2 3.24Å; R163-E229 VanDerWaalsContact NH2-CD 3.28Å; R163-E229 IonicContact NH2-OE1 2.73Å; R163-E229 PolarHBondContact NH2-OE1 2.99Å; R163-E229 VanDerWaalsContact NH2-OE1 3.13Å; R163-E229 IonicContact NH2-OE2 2.79Å; R163-E229 PolarHBondContact NH2-OE2 3.16Å |
| 164 | G | 86.4 | Confident | 87.9 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | H92 P93 L160 V161 H162 | H92-G164 PolarHBondContact CE1-O 3.39Å; P93-G164 WeakPolarHBondContact CB-O 3.4Å; L160-G164 PolarHBondContact O-N 3.15Å; V161-G164 WeakPolarHBondContact O-CA 3.36Å; V161-G164 PolarHBondContact O-N 3.23Å; H162-G164 PolarHBondContact O-N 3.33Å; H162-G164 VanDerWaalsContact O-N 3.12Å |
| 165 | I | 90.4 | Very high | 87.8 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 35% | 0.349 | 28% | 0.282 | S | S | . | . | trans | -71.5 | 130.9 | 175.1 | -65.3 | 166.4 | 0 | 0 | 0 | 109.3 | H162 R163 N185 A188 I189 | H162-I165 WeakPolarHBondContact O-CB 3.37Å; H162-I165 WeakPolarHBondContact O-CD1 3.24Å; H162-I165 VanDerWaalsContact O-CG1 3.23Å; H162-I165 WeakPolarHBondContact O-CG1 3.49Å; H162-I165 PolarHBondContact O-N 3Å; H162-I165 VanDerWaalsContact O-N 3.13Å; R163-I165 VanDerWaalsContact C-N 3.29Å; I165-N185 WeakPolarHBondContact CA-OD1 3.22Å; I165-N185 HydrophobicContact CG2-CB 4.49Å; I165-A188 HydrophobicContact CG1-CB 3.87Å; I165-I189 HydrophobicContact CD1-CD1 4.29Å; I165-I189 HydrophobicContact CD1-CG1 3.44Å; I165-I189 VanDerWaalsContact CD1-CG1 3.44Å; I165-I189 HydrophobicContact CG1-CG1 4.21Å | ||
| 166 | V | 87.9 | Confident | 87.5 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | trans | -100.1 | 149.2 | -177.7 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | P93 L168 L171 M181 N185 | P93-V166 HydrophobicContact CG-CG1 3.47Å; P93-V166 VanDerWaalsContact CG-CG1 3.47Å; V166-L168 HydrophobicContact CG2-CD2 4.18Å; V166-L168 PolarHBondContact O-N 2.96Å; V166-L171 HydrophobicContact CG2-CD2 4.22Å; V166-M181 HydrophobicContact CG1-CE 4.21Å; V166-M181 HydrophobicContact CG2-CE 3.81Å; V166-N185 WeakPolarHBondContact CG2-OD1 3.28Å; V166-N185 PolarHBondContact N-OD1 3.15Å; V166-N185 PolarHBondContact O-ND2 3.31Å | ||
| 167 | N | 87.9 | Confident | 87.6 | Confident | 80 Ų | 80 | 56 Ų | 56 | 43% | 0.428 | 31% | 0.312 | S | S | . | . | trans | -75.8 | 110.3 | 167.4 | -173.9 | -6.3 | 0 | 0 | 0 | 110 | N169 E170 | N167-N169 PolarHBondContact O-N 3.46Å; N167-N169 WeakPolarHBondContact OD1-CB 3.5Å; N167-N169 PolarHBondContact OD1-N 2.9Å; N167-N169 VanDerWaalsContact OD1-N 3.08Å; N167-E170 HydrophobicContact CB-CB 4.38Å; N167-E170 HydrophobicContact CB-CG 4.36Å; N167-E170 PolarHBondContact ND2-OE1 2.79Å; N167-E170 PolarHBondContact O-N 3.08Å | ||
| 168 | L | 89.3 | Confident | 87.8 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 27% | 0.272 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -64.7 | -23.8 | -177.4 | -60.5 | 176 | 0 | 0 | 0 | 113.3 | V166 E170 L171 L178 M181 Q182 | V166-L168 HydrophobicContact CG2-CD2 4.18Å; V166-L168 PolarHBondContact O-N 2.96Å; L168-E170 VanDerWaalsContact C-N 3.27Å; L168-E170 PolarHBondContact O-N 3.26Å; L168-L171 HydrophobicContact CB-CD1 4.35Å; L168-L171 HydrophobicContact CD2-CD1 3.83Å; L168-L171 WeakPolarHBondContact O-CG 3.28Å; L168-L178 HydrophobicContact CB-CD1 4.36Å; L168-L178 HydrophobicContact CD2-CD1 4.29Å; L168-M181 HydrophobicContact CD2-CB 3.97Å; L168-Q182 HydrophobicContact CD1-CG 3.56Å; L168-Q182 HydrophobicContact CD2-CG 4.17Å |
| 169 | N | 87.3 | Confident | 87.9 | Confident | 152 Ų | 152 | 67.8 Ų | 67.8 | 81% | 0.813 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -76.4 | -15.9 | 179.7 | -63 | -27.3 | 0 | 0 | 0 | 112.9 | N167 | N167-N169 PolarHBondContact O-N 3.46Å; N167-N169 WeakPolarHBondContact OD1-CB 3.5Å; N167-N169 PolarHBondContact OD1-N 2.9Å; N167-N169 VanDerWaalsContact OD1-N 3.08Å |
| 170 | E | 85.4 | Confident | 88 | Confident | 83 Ų | 83 | 69.8 Ų | 69.8 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -107 | 5.7 | -176.1 | -66.4 | 179.3 | -152.6 | 0 | 0 | 113.2 | N167 L168 Q172 K234 | N167-E170 HydrophobicContact CB-CB 4.38Å; N167-E170 HydrophobicContact CB-CG 4.36Å; N167-E170 PolarHBondContact ND2-OE1 2.79Å; N167-E170 PolarHBondContact O-N 3.08Å; L168-E170 VanDerWaalsContact C-N 3.27Å; L168-E170 PolarHBondContact O-N 3.26Å; E170-Q172 PolarHBondContact O-NE2 3.35Å; E170-K234 WeakPolarHBondContact OE2-CE 3.47Å; E170-K234 IonicContact OE2-NZ 2.66Å; E170-K234 PolarHBondContact OE2-NZ 3.46Å |
| 171 | L | 85.5 | Confident | 88.3 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | trans | -61.8 | 136 | -177.6 | -67.4 | 176.4 | 0 | 0 | 0 | 111.9 | V166 L168 D175 L178 M181 | V166-L171 HydrophobicContact CG2-CD2 4.22Å; L168-L171 HydrophobicContact CB-CD1 4.35Å; L168-L171 HydrophobicContact CD2-CD1 3.83Å; L168-L171 WeakPolarHBondContact O-CG 3.28Å; L171-D175 HydrophobicContact CD2-CB 4.24Å; L171-L178 HydrophobicContact CD1-CD1 3.74Å; L171-M181 HydrophobicContact CD1-CB 3.83Å; L171-M181 HydrophobicContact CD1-CG 3.9Å; L171-M181 HydrophobicContact CD2-CB 4.46Å; L171-M181 HydrophobicContact CD2-CE 3.81Å; L171-M181 HydrophobicContact CD2-CG 4.14Å | ||
| 172 | Q | 84.3 | Confident | 88.5 | Confident | 108 Ų | 108 | 72 Ų | 72 | 51% | 0.505 | 39% | 0.385 | S | S | . | . | trans | -93.5 | 156.5 | 169.1 | -58.3 | -60.3 | -55.6 | 0 | 0 | 109.9 | E170 S174 D175 | E170-Q172 PolarHBondContact O-NE2 3.35Å; Q172-S174 PolarHBondContact O-N 2.92Å; Q172-S174 VanDerWaalsContact O-N 3.11Å; Q172-D175 PolarHBondContact N-OD2 3.07Å; Q172-D175 WeakPolarHBondContact O-CB 3.33Å; Q172-D175 PolarHBondContact O-N 3Å | ||
| 173 | S | 81.1 | Confident | 88.6 | Confident | 128 Ų | 128 | 72.1 Ų | 72.1 | 90% | 0.895 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.5 | 175.6 | 56 | 0 | 0 | 0 | 0 | 113.1 | D175 | S173-D175 VanDerWaalsContact C-N 3.31Å; S173-D175 PolarHBondContact O-N 3.45Å |
| 174 | S | 85 | Confident | 88.8 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 51% | 0.51 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -14.7 | 176.1 | 54.6 | 0 | 0 | 0 | 0 | 114.9 | Q91 Q172 | Q91-S174 PolarHBondContact NE2-O 3.47Å; Q91-S174 VanDerWaalsContact NE2-O 3.13Å; Q172-S174 PolarHBondContact O-N 2.92Å; Q172-S174 VanDerWaalsContact O-N 3.11Å |
| 175 | D | 85.9 | Confident | 89.2 | Confident | 36 Ų | 36 | 68.9 Ų | 68.9 | 19% | 0.193 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -27.1 | -172.8 | -60.8 | -24 | 0 | 0 | 0 | 112 | Q91 L171 Q172 S173 M181 | Q91-D175 PolarHBondContact N-O 3.36Å; L171-D175 HydrophobicContact CD2-CB 4.24Å; Q172-D175 PolarHBondContact N-OD2 3.07Å; Q172-D175 WeakPolarHBondContact O-CB 3.33Å; Q172-D175 PolarHBondContact O-N 3Å; S173-D175 VanDerWaalsContact C-N 3.31Å; S173-D175 PolarHBondContact O-N 3.45Å; D175-M181 HydrophobicContact CB-CE 4.3Å |
| 176 | G | 87.9 | Confident | 89.4 | Confident | 23 Ų | 23 | 72 Ų | 72 | 24% | 0.237 | 38% | 0.384 | C | S | . | . | trans | 127.7 | 175.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 177 | P | 91.9 | Very high | 89.5 | Confident | 76 Ų | 76 | 71.5 Ų | 71.5 | 49% | 0.494 | 38% | 0.38 | S | S | . | . | trans | -61.1 | 137.8 | 179.2 | -22.6 | 34.8 | 0 | 0 | 0 | 111.8 | K179 D180 M181 | P177-K179 PolarHBondContact O-N 3.01Å; P177-K179 VanDerWaalsContact O-N 3.11Å; P177-D180 HydrophobicContact CB-CB 4.49Å; P177-D180 WeakPolarHBondContact CD-OD2 3.22Å; P177-D180 VanDerWaalsContact CG-OD2 3.29Å; P177-D180 WeakPolarHBondContact CG-OD2 3.22Å; P177-D180 PolarHBondContact O-N 3.26Å; P177-M181 PolarHBondContact O-N 3.39Å; P177-M181 VanDerWaalsContact O-N 3.08Å | ||
| 178 | L | 91.7 | Very high | 89.7 | Confident | 93 Ų | 93 | 67.7 Ų | 67.7 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -51.5 | -40.1 | 180 | 177.3 | 63.7 | 0 | 0 | 0 | 112.9 | L168 L171 D180 M181 Q182 | L168-L178 HydrophobicContact CB-CD1 4.36Å; L168-L178 HydrophobicContact CD2-CD1 4.29Å; L171-L178 HydrophobicContact CD1-CD1 3.74Å; L178-D180 VanDerWaalsContact C-N 3.32Å; L178-D180 PolarHBondContact O-N 3.35Å; L178-M181 PolarHBondContact O-N 2.96Å; L178-Q182 HydrophobicContact CD1-CG 4.35Å; L178-Q182 HydrophobicContact CG-CG 4.48Å; L178-Q182 WeakPolarHBondContact O-CB 3.4Å; L178-Q182 WeakPolarHBondContact O-CG 3.42Å; L178-Q182 PolarHBondContact O-N 2.71Å |
| 179 | K | 92.8 | Very high | 89.9 | Confident | 170 Ų | 170 | 68.8 Ų | 68.8 | 74% | 0.739 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62 | -38.8 | 178.3 | -68.9 | -174.9 | 178.9 | -179.6 | 0 | 112.4 | P177 F183 | P177-K179 PolarHBondContact O-N 3.01Å; P177-K179 VanDerWaalsContact O-N 3.11Å; K179-F183 WeakPolarHBondContact O-CB 3.32Å; K179-F183 PolarHBondContact O-N 3.02Å |
| 180 | D | 92 | Very high | 90.1 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 34% | 0.337 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73.9 | -35.8 | 179.5 | -60.5 | -24.3 | 0 | 0 | 0 | 110.5 | L87 T90 P177 L178 F183 G184 | L87-D180 WeakPolarHBondContact CD2-O 3.33Å; T90-D180 HydrophobicContact CG2-CB 3.73Å; P177-D180 HydrophobicContact CB-CB 4.49Å; P177-D180 WeakPolarHBondContact CD-OD2 3.22Å; P177-D180 VanDerWaalsContact CG-OD2 3.29Å; P177-D180 WeakPolarHBondContact CG-OD2 3.22Å; P177-D180 PolarHBondContact O-N 3.26Å; L178-D180 VanDerWaalsContact C-N 3.32Å; L178-D180 PolarHBondContact O-N 3.35Å; D180-F183 PolarHBondContact O-N 3.49Å; D180-G184 PolarHBondContact O-N 3.14Å |
| 181 | M | 93.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | 173.9 | -58.2 | -55 | -72.6 | 0 | 0 | 112 | H92 V166 L168 L171 D175 P177 L178 G184 N185 | H92-M181 HydrophobicContact CB-CE 4.09Å; H92-M181 HydrophobicContact CB-SD 4.02Å; V166-M181 HydrophobicContact CG1-CE 4.21Å; V166-M181 HydrophobicContact CG2-CE 3.81Å; L168-M181 HydrophobicContact CD2-CB 3.97Å; L171-M181 HydrophobicContact CD1-CB 3.83Å; L171-M181 HydrophobicContact CD1-CG 3.9Å; L171-M181 HydrophobicContact CD2-CB 4.46Å; L171-M181 HydrophobicContact CD2-CE 3.81Å; L171-M181 HydrophobicContact CD2-CG 4.14Å; D175-M181 HydrophobicContact CB-CE 4.3Å; P177-M181 PolarHBondContact O-N 3.39Å; P177-M181 VanDerWaalsContact O-N 3.08Å; L178-M181 PolarHBondContact O-N 2.96Å; M181-G184 PolarHBondContact O-N 2.92Å; M181-N185 PolarHBondContact O-N 3.28Å |
| 182 | Q | 93.8 | Very high | 90.5 | Very high | 94 Ų | 94 | 60.6 Ų | 60.6 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 172.3 | -76.6 | 173.2 | -19.5 | 0 | 0 | 112 | L168 L178 G184 N185 K186 | L168-Q182 HydrophobicContact CD1-CG 3.56Å; L168-Q182 HydrophobicContact CD2-CG 4.17Å; L178-Q182 HydrophobicContact CD1-CG 4.35Å; L178-Q182 HydrophobicContact CG-CG 4.48Å; L178-Q182 WeakPolarHBondContact O-CB 3.4Å; L178-Q182 WeakPolarHBondContact O-CG 3.42Å; L178-Q182 PolarHBondContact O-N 2.71Å; Q182-G184 VanDerWaalsContact C-N 3.32Å; Q182-N185 PolarHBondContact O-N 3.45Å; Q182-K186 PolarHBondContact O-N 3.36Å |
| 183 | F | 93.1 | Very high | 90.9 | Very high | 58 Ų | 58 | 59.1 Ų | 59.1 | 25% | 0.254 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.8 | 178.3 | -104.1 | 0 | 0 | 0 | 111 | Q83 K86 L87 K179 D180 N185 K186 I187 | Q83-F183 HydrophobicContact CB-CZ 4.18Å; K86-F183 HydrophobicContact CB-CE1 4.03Å; K86-F183 HydrophobicContact CD-CE1 4.19Å; K86-F183 HydrophobicContact CD-CZ 4.07Å; L87-F183 HydrophobicContact CD2-CD1 3.73Å; L87-F183 HydrophobicContact CD2-CE1 4.43Å; L87-F183 HydrophobicContact CG-CD1 4.27Å; K179-F183 WeakPolarHBondContact O-CB 3.32Å; K179-F183 PolarHBondContact O-N 3.02Å; D180-F183 PolarHBondContact O-N 3.49Å; F183-N185 PolarHBondContact O-N 3.42Å; F183-K186 WeakPolarHBondContact O-CB 3.49Å; F183-K186 PolarHBondContact O-N 3.47Å; F183-I187 HydrophobicContact CD1-CG1 4.24Å; F183-I187 HydrophobicContact CD2-CG1 4.47Å; F183-I187 HydrophobicContact CE1-CD1 4.37Å; F183-I187 HydrophobicContact CE1-CG1 3.75Å; F183-I187 HydrophobicContact CE2-CD1 3.92Å; F183-I187 HydrophobicContact CE2-CG1 4.02Å; F183-I187 HydrophobicContact CZ-CD1 3.73Å; F183-I187 HydrophobicContact CZ-CG1 3.63Å; F183-I187 WeakPolarHBondContact O-CG1 3.17Å; F183-I187 PolarHBondContact O-N 3Å |
| 184 | G | 91.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | H92 D180 M181 Q182 K186 I187 A188 | H92-G184 VanDerWaalsContact CE1-C 3.41Å; H92-G184 WeakPolarHBondContact NE2-CA 3.33Å; D180-G184 PolarHBondContact O-N 3.14Å; M181-G184 PolarHBondContact O-N 2.92Å; Q182-G184 VanDerWaalsContact C-N 3.32Å; G184-K186 VanDerWaalsContact C-N 3.32Å; G184-K186 PolarHBondContact O-N 3.06Å; G184-I187 PolarHBondContact O-N 3.14Å; G184-A188 WeakPolarHBondContact O-CB 3.24Å; G184-A188 PolarHBondContact O-N 2.93Å |
| 185 | N | 94.6 | Very high | 91.5 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 10% | 0.096 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 174.2 | -82.8 | -2.9 | 0 | 0 | 0 | 111.4 | H92 I165 V166 M181 Q182 F183 I187 A188 I189 | H92-N185 PolarHBondContact NE2-N 2.95Å; H92-N185 VanDerWaalsContact NE2-N 3.15Å; H92-N185 PolarHBondContact NE2-OD1 3.06Å; I165-N185 WeakPolarHBondContact CA-OD1 3.22Å; I165-N185 HydrophobicContact CG2-CB 4.49Å; V166-N185 WeakPolarHBondContact CG2-OD1 3.28Å; V166-N185 PolarHBondContact N-OD1 3.15Å; V166-N185 PolarHBondContact O-ND2 3.31Å; M181-N185 PolarHBondContact O-N 3.28Å; Q182-N185 PolarHBondContact O-N 3.45Å; F183-N185 PolarHBondContact O-N 3.42Å; N185-I187 PolarHBondContact O-N 2.96Å; N185-A188 PolarHBondContact O-N 3.28Å; N185-I189 WeakPolarHBondContact O-CG1 3.23Å; N185-I189 PolarHBondContact O-N 3.11Å |
| 186 | K | 94.4 | Very high | 91.8 | Very high | 134 Ų | 134 | 52.9 Ų | 52.9 | 58% | 0.583 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.6 | -44.7 | 177.1 | -177 | 176.2 | -179.2 | 176.3 | 0 | 111.9 | Q182 F183 G184 L190 | Q182-K186 PolarHBondContact O-N 3.36Å; F183-K186 WeakPolarHBondContact O-CB 3.49Å; F183-K186 PolarHBondContact O-N 3.47Å; G184-K186 VanDerWaalsContact C-N 3.32Å; G184-K186 PolarHBondContact O-N 3.06Å; K186-L190 HydrophobicContact CG-CD1 4.07Å; K186-L190 WeakPolarHBondContact O-CG 3.48Å; K186-L190 PolarHBondContact O-N 3.49Å |
| 187 | I | 91.1 | Very high | 92.1 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.087 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.5 | -39.5 | 177.8 | -60.1 | -54.7 | 0 | 0 | 0 | 110.9 | Q83 V84 L94 F183 G184 N185 S191 | Q83-I187 HydrophobicContact CB-CD1 3.78Å; Q83-I187 HydrophobicContact CB-CG1 4.15Å; Q83-I187 HydrophobicContact CB-CG2 4.39Å; Q83-I187 HydrophobicContact CG-CD1 4.13Å; V84-I187 HydrophobicContact CG2-CG2 3.95Å; L94-I187 HydrophobicContact CD2-CB 3.97Å; L94-I187 HydrophobicContact CD2-CG2 3.74Å; F183-I187 HydrophobicContact CD1-CG1 4.24Å; F183-I187 HydrophobicContact CD2-CG1 4.47Å; F183-I187 HydrophobicContact CE1-CD1 4.37Å; F183-I187 HydrophobicContact CE1-CG1 3.75Å; F183-I187 HydrophobicContact CE2-CD1 3.92Å; F183-I187 HydrophobicContact CE2-CG1 4.02Å; F183-I187 HydrophobicContact CZ-CD1 3.73Å; F183-I187 HydrophobicContact CZ-CG1 3.63Å; F183-I187 WeakPolarHBondContact O-CG1 3.17Å; F183-I187 PolarHBondContact O-N 3Å; G184-I187 PolarHBondContact O-N 3.14Å; N185-I187 PolarHBondContact O-N 2.96Å; I187-S191 WeakPolarHBondContact O-CB 3.44Å; I187-S191 PolarHBondContact O-N 3.27Å; I187-S191 PolarHBondContact O-OG 3.39Å |
| 188 | A | 91.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.4 | -49.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L94 V161 I165 G184 N185 S191 G192 | L94-A188 HydrophobicContact CD1-CB 4.21Å; L94-A188 HydrophobicContact CD2-CB 4.2Å; V161-A188 HydrophobicContact CG1-CB 4.37Å; V161-A188 WeakPolarHBondContact CG1-O 3.35Å; I165-A188 HydrophobicContact CG1-CB 3.87Å; G184-A188 WeakPolarHBondContact O-CB 3.24Å; G184-A188 PolarHBondContact O-N 2.93Å; N185-A188 PolarHBondContact O-N 3.28Å; A188-S191 PolarHBondContact O-N 2.94Å; A188-G192 PolarHBondContact O-N 3.01Å |
| 189 | I | 94.4 | Very high | 92 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 39% | 0.385 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.5 | -56.8 | 177.6 | -66.5 | 165.3 | 0 | 0 | 0 | 110.5 | H162 I165 N185 S191 G192 D193 | H162-I189 PolarHBondContact NE2-O 3.26Å; H162-I189 VanDerWaalsContact NE2-O 3.13Å; I165-I189 HydrophobicContact CD1-CD1 4.29Å; I165-I189 HydrophobicContact CD1-CG1 3.44Å; I165-I189 VanDerWaalsContact CD1-CG1 3.44Å; I165-I189 HydrophobicContact CG1-CG1 4.21Å; N185-I189 WeakPolarHBondContact O-CG1 3.23Å; N185-I189 PolarHBondContact O-N 3.11Å; I189-S191 VanDerWaalsContact C-N 3.32Å; I189-S191 PolarHBondContact O-N 3.07Å; I189-G192 PolarHBondContact O-N 3.37Å; I189-D193 PolarHBondContact O-N 2.87Å |
| 190 | L | 91.4 | Very high | 92.1 | Very high | 96 Ų | 96 | 44.7 Ų | 44.7 | 50% | 0.503 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.5 | -36.9 | -175.7 | -67.3 | 173.5 | 0 | 0 | 0 | 112.9 | K186 F194 | K186-L190 HydrophobicContact CG-CD1 4.07Å; K186-L190 WeakPolarHBondContact O-CG 3.48Å; K186-L190 PolarHBondContact O-N 3.49Å; L190-F194 WeakPolarHBondContact O-CB 3.37Å; L190-F194 PolarHBondContact O-N 2.97Å |
| 191 | S | 88.7 | Confident | 92.1 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.3 | -40.6 | 179.6 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | I80 I187 A188 I189 F194 L195 | I80-S191 WeakPolarHBondContact CG2-OG 3.48Å; I187-S191 WeakPolarHBondContact O-CB 3.44Å; I187-S191 PolarHBondContact O-N 3.27Å; I187-S191 PolarHBondContact O-OG 3.39Å; A188-S191 PolarHBondContact O-N 2.94Å; I189-S191 VanDerWaalsContact C-N 3.32Å; I189-S191 PolarHBondContact O-N 3.07Å; S191-F194 PolarHBondContact O-N 3.4Å; S191-L195 VanDerWaalsContact O-CG 3.31Å; S191-L195 WeakPolarHBondContact O-CG 3.38Å; S191-L195 PolarHBondContact O-N 3.34Å; S191-L195 VanDerWaalsContact O-N 3.11Å |
| 192 | G | 90 | Very high | 92.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A158 H162 A188 I189 F194 L195 L196 | A158-G192 WeakPolarHBondContact CB-O 3.36Å; H162-G192 WeakPolarHBondContact NE2-CA 3.47Å; A188-G192 PolarHBondContact O-N 3.01Å; I189-G192 PolarHBondContact O-N 3.37Å; G192-F194 VanDerWaalsContact C-N 3.34Å; G192-F194 PolarHBondContact O-N 3.47Å; G192-L195 PolarHBondContact O-N 3.43Å; G192-L196 WeakPolarHBondContact O-CB 3.35Å; G192-L196 PolarHBondContact O-N 3.27Å |
| 193 | D | 93.4 | Very high | 92.2 | Very high | 77 Ų | 77 | 43 Ų | 43 | 41% | 0.412 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 177.5 | -65.9 | -8 | 0 | 0 | 0 | 111.7 | H162 I189 L196 A197 | H162-D193 IonicContact CE1-OD1 3.59Å; H162-D193 PolarHBondContact CE1-OD1 2.99Å; H162-D193 VanDerWaalsContact CE1-OD1 3.24Å; H162-D193 PolarHBondContact NE2-N 3.41Å; H162-D193 IonicContact NE2-OD1 3.79Å; H162-D193 PolarHBondContact NE2-OD1 3.44Å; H162-D193 VanDerWaalsContact NE2-OD1 3.1Å; I189-D193 PolarHBondContact O-N 2.87Å; D193-L196 PolarHBondContact O-N 2.97Å; D193-A197 WeakPolarHBondContact O-CB 3.44Å; D193-A197 PolarHBondContact O-N 3.19Å |
| 194 | F | 89.8 | Confident | 92.3 | Very high | 57 Ų | 57 | 43.3 Ų | 43.3 | 25% | 0.25 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.3 | 174.1 | -98.3 | 0 | 0 | 0 | 112.4 | E76 L77 I80 L190 S191 G192 L196 A197 N198 | E76-F194 HydrophobicContact CB-CE1 4.08Å; E76-F194 HydrophobicContact CB-CE2 3.84Å; E76-F194 HydrophobicContact CB-CZ 3.36Å; E76-F194 HydrophobicContact CG-CE2 4.03Å; E76-F194 HydrophobicContact CG-CZ 3.86Å; L77-F194 HydrophobicContact CD1-CE1 4.26Å; L77-F194 HydrophobicContact CG-CE1 4.11Å; I80-F194 HydrophobicContact CD1-CB 4.5Å; I80-F194 HydrophobicContact CD1-CD1 3.78Å; I80-F194 HydrophobicContact CD1-CE1 4.32Å; I80-F194 HydrophobicContact CD1-CG 4.24Å; L190-F194 WeakPolarHBondContact O-CB 3.37Å; L190-F194 PolarHBondContact O-N 2.97Å; S191-F194 PolarHBondContact O-N 3.4Å; G192-F194 VanDerWaalsContact C-N 3.34Å; G192-F194 PolarHBondContact O-N 3.47Å; F194-L196 VanDerWaalsContact C-N 3.33Å; F194-A197 PolarHBondContact O-N 3.42Å; F194-N198 WeakPolarHBondContact CE1-ND2 3.25Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.38Å; F194-N198 WeakPolarHBondContact CZ-ND2 3.22Å; F194-N198 PolarHBondContact O-N 2.86Å; F194-N198 VanDerWaalsContact O-N 3.09Å; F194-N198 PolarHBondContact O-ND2 2.75Å |
| 195 | L | 88.3 | Confident | 92.5 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 177.3 | -70.7 | 170.6 | 0 | 0 | 0 | 111.3 | L77 L154 T157 A158 V161 S191 G192 N198 A199 | L77-L195 HydrophobicContact CD1-CD2 4.43Å; L77-L195 HydrophobicContact CD2-CD2 4.49Å; L154-L195 HydrophobicContact CD2-CD2 3.86Å; T157-L195 HydrophobicContact CG2-CD1 3.66Å; A158-L195 HydrophobicContact CB-CB 3.83Å; A158-L195 HydrophobicContact CB-CD1 4.48Å; V161-L195 HydrophobicContact CG2-CD1 4.36Å; S191-L195 VanDerWaalsContact O-CG 3.31Å; S191-L195 WeakPolarHBondContact O-CG 3.38Å; S191-L195 PolarHBondContact O-N 3.34Å; S191-L195 VanDerWaalsContact O-N 3.11Å; G192-L195 PolarHBondContact O-N 3.43Å; L195-N198 PolarHBondContact O-N 2.95Å; L195-A199 PolarHBondContact O-N 3.47Å |
| 196 | L | 92.6 | Very high | 92.4 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 22% | 0.22 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 177.4 | -171.8 | 62.1 | 0 | 0 | 0 | 111.9 | I155 A158 G192 D193 F194 N198 A199 C200 L219 | I155-L196 HydrophobicContact CG1-CD1 4.41Å; A158-L196 HydrophobicContact CB-CB 4.4Å; G192-L196 WeakPolarHBondContact O-CB 3.35Å; G192-L196 PolarHBondContact O-N 3.27Å; D193-L196 PolarHBondContact O-N 2.97Å; F194-L196 VanDerWaalsContact C-N 3.33Å; L196-N198 VanDerWaalsContact C-N 3.33Å; L196-N198 PolarHBondContact O-N 3.42Å; L196-A199 WeakPolarHBondContact O-CB 3.39Å; L196-A199 PolarHBondContact O-N 2.75Å; L196-C200 PolarHBondContact O-N 3.38Å; L196-C200 PolarHBondContact O-SG 3.33Å; L196-L219 HydrophobicContact CD1-CD1 3.97Å; L196-L219 HydrophobicContact CD1-CD2 3.92Å; L196-L219 HydrophobicContact CD2-CD2 4.18Å |
| 197 | A | 92.8 | Very high | 92.5 | Very high | 60 Ų | 60 | 50.1 Ų | 50.1 | 50% | 0.496 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D193 F194 C200 N201 | D193-A197 WeakPolarHBondContact O-CB 3.44Å; D193-A197 PolarHBondContact O-N 3.19Å; F194-A197 PolarHBondContact O-N 3.42Å; A197-C200 PolarHBondContact O-N 3.49Å; A197-N201 PolarHBondContact O-N 3.37Å |
| 198 | N | 88.8 | Confident | 92.7 | Very high | 63 Ų | 63 | 51 Ų | 51 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 174.1 | -77.4 | -59.3 | 0 | 0 | 0 | 112.5 | L154 F194 L195 L196 N201 G202 | L154-N198 HydrophobicContact CD1-CB 4.44Å; F194-N198 WeakPolarHBondContact CE1-ND2 3.25Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.38Å; F194-N198 WeakPolarHBondContact CZ-ND2 3.22Å; F194-N198 PolarHBondContact O-N 2.86Å; F194-N198 VanDerWaalsContact O-N 3.09Å; F194-N198 PolarHBondContact O-ND2 2.75Å; L195-N198 PolarHBondContact O-N 2.95Å; L196-N198 VanDerWaalsContact C-N 3.33Å; L196-N198 PolarHBondContact O-N 3.42Å; N198-N201 PolarHBondContact O-N 3.36Å; N198-G202 PolarHBondContact O-N 3.12Å |
| 199 | A | 92.8 | Very high | 93 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I151 L154 I155 L195 L196 N201 G202 L203 | I151-A199 HydrophobicContact CG2-CB 4.21Å; L154-A199 HydrophobicContact CB-CB 4.07Å; I155-A199 HydrophobicContact CD1-CB 4.31Å; I155-A199 HydrophobicContact CG1-CB 3.61Å; L195-A199 PolarHBondContact O-N 3.47Å; L196-A199 WeakPolarHBondContact O-CB 3.39Å; L196-A199 PolarHBondContact O-N 2.75Å; A199-N201 PolarHBondContact O-N 3.21Å; A199-G202 PolarHBondContact O-N 2.88Å; A199-L203 WeakPolarHBondContact O-CG 3.09Å; A199-L203 PolarHBondContact O-N 3.03Å |
| 200 | C | 95.4 | Very high | 93.2 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 45% | 0.453 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 175.7 | -69.6 | 0 | 0 | 0 | 0 | 112.4 | L196 A197 L203 A204 | L196-C200 PolarHBondContact O-N 3.38Å; L196-C200 PolarHBondContact O-SG 3.33Å; A197-C200 PolarHBondContact O-N 3.49Å; C200-L203 PolarHBondContact O-N 2.86Å; C200-A204 PolarHBondContact O-N 2.96Å |
| 201 | N | 93.3 | Very high | 93.5 | Very high | 95 Ų | 95 | 52.9 Ų | 52.9 | 51% | 0.508 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 174.1 | -175 | 53.8 | 0 | 0 | 0 | 111.3 | A197 N198 A199 L203 A204 L205 | A197-N201 PolarHBondContact O-N 3.37Å; N198-N201 PolarHBondContact O-N 3.36Å; A199-N201 PolarHBondContact O-N 3.21Å; N201-L203 PolarHBondContact O-N 3.16Å; N201-A204 PolarHBondContact O-N 3.21Å; N201-L205 WeakPolarHBondContact O-CG 3.12Å; N201-L205 PolarHBondContact O-N 2.75Å |
| 202 | G | 92.2 | Very high | 94 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | N198 A199 A204 L205 L206 | N198-G202 PolarHBondContact O-N 3.12Å; A199-G202 PolarHBondContact O-N 2.88Å; G202-A204 VanDerWaalsContact C-N 3.34Å; G202-A204 PolarHBondContact O-N 3.48Å; G202-L205 PolarHBondContact O-N 3.44Å; G202-L206 PolarHBondContact O-N 3.32Å |
| 203 | L | 95.7 | Very high | 94.4 | Very high | 12 Ų | 12 | 60.3 Ų | 60.3 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 176.7 | -74.3 | 172.3 | 0 | 0 | 0 | 111.8 | I151 A199 C200 N201 L205 L206 V211 V212 L215 | I151-L203 HydrophobicContact CD1-CD2 4.25Å; I151-L203 HydrophobicContact CD1-CG 4.37Å; I151-L203 HydrophobicContact CG2-CD1 4.33Å; I151-L203 HydrophobicContact CG2-CD2 3.72Å; I151-L203 HydrophobicContact CG2-CG 3.7Å; A199-L203 WeakPolarHBondContact O-CG 3.09Å; A199-L203 PolarHBondContact O-N 3.03Å; C200-L203 PolarHBondContact O-N 2.86Å; N201-L203 PolarHBondContact O-N 3.16Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L205 PolarHBondContact O-N 3.14Å; L203-L206 HydrophobicContact CD2-CD1 4.26Å; L203-L206 WeakPolarHBondContact O-CB 3.43Å; L203-L206 PolarHBondContact O-N 3.03Å; L203-V211 HydrophobicContact CD2-CG1 4.32Å; L203-V212 HydrophobicContact CB-CG2 4.22Å; L203-L215 HydrophobicContact CD1-CB 3.88Å; L203-L215 HydrophobicContact CD2-CB 3.82Å; L203-L215 HydrophobicContact CD2-CG 3.91Å |
| 204 | A | 96.4 | Very high | 94.7 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 52% | 0.521 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | C200 N201 G202 L206 Q207 | C200-A204 PolarHBondContact O-N 2.96Å; N201-A204 PolarHBondContact O-N 3.21Å; G202-A204 VanDerWaalsContact C-N 3.34Å; G202-A204 PolarHBondContact O-N 3.48Å; A204-L206 PolarHBondContact O-N 2.98Å; A204-Q207 PolarHBondContact O-N 2.99Å; A204-Q207 VanDerWaalsContact O-N 3.07Å |
| 205 | L | 94.3 | Very high | 95.1 | Very high | 118 Ų | 118 | 54.7 Ų | 54.7 | 62% | 0.618 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.3 | -20.8 | 177.4 | -69.4 | 172.4 | 0 | 0 | 0 | 113.7 | N201 G202 L203 Q207 | N201-L205 WeakPolarHBondContact O-CG 3.12Å; N201-L205 PolarHBondContact O-N 2.75Å; G202-L205 PolarHBondContact O-N 3.44Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L205 PolarHBondContact O-N 3.14Å; L205-Q207 PolarHBondContact O-N 3.15Å |
| 206 | L | 93.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.7 | 171.5 | -62.8 | 178.6 | 0 | 0 | 0 | 112.7 | C144 L148 I151 G202 L203 A204 N208 V211 L269 | C144-L206 HydrophobicContact CB-CD2 4.05Å; C144-L206 WeakPolarHBondContact O-CD2 2.93Å; L148-L206 HydrophobicContact CB-CD1 4.39Å; L148-L206 HydrophobicContact CD1-CD1 4.29Å; I151-L206 HydrophobicContact CD1-CD1 3.86Å; I151-L206 HydrophobicContact CD1-CG 4.14Å; G202-L206 PolarHBondContact O-N 3.32Å; L203-L206 HydrophobicContact CD2-CD1 4.26Å; L203-L206 WeakPolarHBondContact O-CB 3.43Å; L203-L206 PolarHBondContact O-N 3.03Å; A204-L206 PolarHBondContact O-N 2.98Å; L206-N208 PolarHBondContact O-N 3.07Å; L206-N208 VanDerWaalsContact O-N 3.11Å; L206-V211 HydrophobicContact CD1-CG1 3.79Å; L206-L269 HydrophobicContact CD1-CD1 4.33Å |
| 207 | Q | 95.3 | Very high | 95.8 | Very high | 168 Ų | 168 | 55.5 Ų | 55.5 | 79% | 0.785 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 30.7 | 179.3 | -58.4 | -178 | 13.2 | 0 | 0 | 114.3 | A204 L205 | A204-Q207 PolarHBondContact O-N 2.99Å; A204-Q207 VanDerWaalsContact O-N 3.07Å; L205-Q207 PolarHBondContact O-N 3.15Å |
| 208 | N | 96.5 | Very high | 96.1 | Very high | 36 Ų | 36 | 52.7 Ų | 52.7 | 19% | 0.193 | 30% | 0.3 | C | S | . | . | trans | -122.1 | 107.7 | 174.1 | -176.7 | -41.9 | 0 | 0 | 0 | 109.2 | L206 K210 V211 V212 E268 L269 | L206-N208 PolarHBondContact O-N 3.07Å; L206-N208 VanDerWaalsContact O-N 3.11Å; N208-K210 VanDerWaalsContact C-N 3.3Å; N208-K210 PolarHBondContact O-N 3.35Å; N208-K210 WeakPolarHBondContact OD1-CA 3.28Å; N208-K210 WeakPolarHBondContact OD1-CB 3.44Å; N208-K210 PolarHBondContact OD1-N 2.91Å; N208-V211 HydrophobicContact CB-CB 4.08Å; N208-V211 HydrophobicContact CB-CG2 3.94Å; N208-V211 PolarHBondContact O-N 2.82Å; N208-V211 PolarHBondContact OD1-N 3.09Å; N208-V212 WeakPolarHBondContact O-CG2 3.21Å; N208-V212 PolarHBondContact O-N 3.17Å; N208-E268 PolarHBondContact ND2-OE1 3.43Å; N208-L269 HydrophobicContact CB-CD2 4.17Å | ||
| 209 | T | 97.8 | Very high | 96.5 | Very high | 125 Ų | 125 | 52.1 Ų | 52.1 | 77% | 0.767 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.2 | -31.4 | -177.2 | 50 | 0 | 0 | 0 | 0 | 112.9 | V212 E213 | T209-V212 PolarHBondContact O-N 2.74Å; T209-E213 WeakPolarHBondContact O-CB 3.49Å; T209-E213 PolarHBondContact O-N 2.93Å |
| 210 | K | 98.2 | Very high | 96.7 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 37% | 0.365 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 176.4 | -168.6 | 71.5 | -157.3 | 160.7 | 0 | 111.4 | N208 E213 L214 E268 | N208-K210 VanDerWaalsContact C-N 3.3Å; N208-K210 PolarHBondContact O-N 3.35Å; N208-K210 WeakPolarHBondContact OD1-CA 3.28Å; N208-K210 WeakPolarHBondContact OD1-CB 3.44Å; N208-K210 PolarHBondContact OD1-N 2.91Å; K210-E213 VanDerWaalsContact NZ-CD 3.32Å; K210-E213 IonicContact NZ-OE1 2.97Å; K210-E213 PolarHBondContact NZ-OE1 2.91Å; K210-E213 IonicContact NZ-OE2 2.68Å; K210-E213 PolarHBondContact NZ-OE2 3.05Å; K210-E213 PolarHBondContact O-N 3.2Å; K210-L214 WeakPolarHBondContact O-CG 3.45Å; K210-L214 PolarHBondContact O-N 3.12Å; K210-E268 HydrophobicContact CB-CG 4.24Å; K210-E268 HydrophobicContact CG-CG 4.24Å |
| 211 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 174 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L148 L203 L206 N208 E213 L214 L215 A265 E268 L269 | L148-V211 HydrophobicContact CD1-CG1 4.11Å; L203-V211 HydrophobicContact CD2-CG1 4.32Å; L206-V211 HydrophobicContact CD1-CG1 3.79Å; N208-V211 HydrophobicContact CB-CB 4.08Å; N208-V211 HydrophobicContact CB-CG2 3.94Å; N208-V211 PolarHBondContact O-N 2.82Å; N208-V211 PolarHBondContact OD1-N 3.09Å; V211-E213 VanDerWaalsContact C-N 3.33Å; V211-E213 PolarHBondContact O-N 2.72Å; V211-L214 PolarHBondContact O-N 2.93Å; V211-L215 HydrophobicContact CG1-CD2 4.26Å; V211-L215 WeakPolarHBondContact O-CD2 3.33Å; V211-L215 PolarHBondContact O-N 3.38Å; V211-A265 HydrophobicContact CG1-CB 4.09Å; V211-A265 HydrophobicContact CG2-CB 4.22Å; V211-E268 HydrophobicContact CG2-CB 4.32Å; V211-E268 HydrophobicContact CG2-CG 3.84Å; V211-L269 HydrophobicContact CG2-CD2 3.8Å; V211-L269 HydrophobicContact CG2-CG 3.79Å |
| 212 | V | 98.5 | Very high | 96.9 | Very high | 56 Ų | 56 | 52 Ų | 52 | 34% | 0.339 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 174.2 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | L203 N208 T209 L215 A216 | L203-V212 HydrophobicContact CB-CG2 4.22Å; N208-V212 WeakPolarHBondContact O-CG2 3.21Å; N208-V212 PolarHBondContact O-N 3.17Å; T209-V212 PolarHBondContact O-N 2.74Å; V212-L215 PolarHBondContact O-N 3.13Å; V212-A216 WeakPolarHBondContact O-CB 3.15Å; V212-A216 PolarHBondContact O-N 3.02Å |
| 213 | E | 98.5 | Very high | 96.9 | Very high | 108 Ų | 108 | 55.5 Ų | 55.5 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 177.6 | -171.9 | -164.2 | 159.2 | 0 | 0 | 112 | T209 K210 V211 L215 A216 S217 | T209-E213 WeakPolarHBondContact O-CB 3.49Å; T209-E213 PolarHBondContact O-N 2.93Å; K210-E213 VanDerWaalsContact NZ-CD 3.32Å; K210-E213 IonicContact NZ-OE1 2.97Å; K210-E213 PolarHBondContact NZ-OE1 2.91Å; K210-E213 IonicContact NZ-OE2 2.68Å; K210-E213 PolarHBondContact NZ-OE2 3.05Å; K210-E213 PolarHBondContact O-N 3.2Å; V211-E213 VanDerWaalsContact C-N 3.33Å; V211-E213 PolarHBondContact O-N 2.72Å; E213-L215 PolarHBondContact O-N 3.14Å; E213-A216 PolarHBondContact O-N 3.16Å; E213-S217 WeakPolarHBondContact O-CB 3.24Å; E213-S217 PolarHBondContact O-N 3.25Å; E213-S217 PolarHBondContact O-OG 3.01Å |
| 214 | L | 98.5 | Very high | 96.8 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58 | -49.5 | 177.8 | -76.6 | 173.1 | 0 | 0 | 0 | 111.1 | K210 V211 S217 A218 Q264 A265 | K210-L214 WeakPolarHBondContact O-CG 3.45Å; K210-L214 PolarHBondContact O-N 3.12Å; V211-L214 PolarHBondContact O-N 2.93Å; L214-S217 PolarHBondContact O-N 3.35Å; L214-S217 PolarHBondContact O-OG 3.46Å; L214-A218 PolarHBondContact O-N 3.37Å; L214-Q264 HydrophobicContact CD1-CG 4.2Å; L214-A265 HydrophobicContact CD1-CB 3.99Å |
| 215 | L | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.3 | -33.4 | -176.1 | -83.6 | -67.2 | 0 | 0 | 0 | 112.4 | L148 I155 L203 V211 V212 E213 S217 A218 L219 L258 S262 A265 | L148-L215 HydrophobicContact CD1-CD2 3.99Å; L148-L215 HydrophobicContact CD1-CG 4.15Å; I155-L215 HydrophobicContact CD1-CD1 4.22Å; L203-L215 HydrophobicContact CD1-CB 3.88Å; L203-L215 HydrophobicContact CD2-CB 3.82Å; L203-L215 HydrophobicContact CD2-CG 3.91Å; V211-L215 HydrophobicContact CG1-CD2 4.26Å; V211-L215 WeakPolarHBondContact O-CD2 3.33Å; V211-L215 PolarHBondContact O-N 3.38Å; V212-L215 PolarHBondContact O-N 3.13Å; E213-L215 PolarHBondContact O-N 3.14Å; L215-S217 VanDerWaalsContact C-N 3.34Å; L215-A218 WeakPolarHBondContact O-CB 3.4Å; L215-A218 PolarHBondContact O-N 2.94Å; L215-L219 PolarHBondContact O-N 2.99Å; L215-L258 HydrophobicContact CD1-CD1 3.84Å; L215-S262 WeakPolarHBondContact CD1-OG 3.42Å; L215-A265 HydrophobicContact CD2-CB 3.56Å |
| 216 | A | 98.3 | Very high | 96.2 | Very high | 42 Ų | 42 | 52 Ų | 52 | 35% | 0.347 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V212 E213 A218 L219 M220 | V212-A216 WeakPolarHBondContact O-CB 3.15Å; V212-A216 PolarHBondContact O-N 3.02Å; E213-A216 PolarHBondContact O-N 3.16Å; A216-A218 VanDerWaalsContact C-N 3.34Å; A216-A218 PolarHBondContact O-N 2.84Å; A216-L219 WeakPolarHBondContact O-CB 3.19Å; A216-L219 PolarHBondContact O-N 2.87Å; A216-M220 PolarHBondContact O-N 3.32Å |
| 217 | S | 98.5 | Very high | 95.8 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.3 | -33.9 | 174.9 | 77.2 | 0 | 0 | 0 | 0 | 112.7 | E213 L214 L215 L219 M220 D221 K261 | E213-S217 WeakPolarHBondContact O-CB 3.24Å; E213-S217 PolarHBondContact O-N 3.25Å; E213-S217 PolarHBondContact O-OG 3.01Å; L214-S217 PolarHBondContact O-N 3.35Å; L214-S217 PolarHBondContact O-OG 3.46Å; L215-S217 VanDerWaalsContact C-N 3.34Å; S217-L219 VanDerWaalsContact C-N 3.32Å; S217-M220 PolarHBondContact O-N 2.92Å; S217-D221 VanDerWaalsContact O-CG 3.23Å; S217-D221 PolarHBondContact O-N 3.38Å; S217-K261 PolarHBondContact O-NZ 3Å; S217-K261 WeakPolarHBondContact OG-CE 3.46Å; S217-K261 PolarHBondContact OG-NZ 3.32Å |
| 218 | A | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | L214 L215 A216 D221 L222 L258 K261 | L214-A218 PolarHBondContact O-N 3.37Å; L215-A218 WeakPolarHBondContact O-CB 3.4Å; L215-A218 PolarHBondContact O-N 2.94Å; A216-A218 VanDerWaalsContact C-N 3.34Å; A216-A218 PolarHBondContact O-N 2.84Å; A218-D221 PolarHBondContact O-N 3.36Å; A218-L222 VanDerWaalsContact O-CG 3.3Å; A218-L222 WeakPolarHBondContact O-CG 3.13Å; A218-L222 PolarHBondContact O-N 3.48Å; A218-L258 HydrophobicContact CB-CD1 4.28Å; A218-K261 HydrophobicContact CB-CB 4.02Å; A218-K261 HydrophobicContact CB-CD 3.6Å; A218-K261 HydrophobicContact CB-CG 4.38Å |
| 219 | L | 96.7 | Very high | 94.5 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 27% | 0.272 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 175.3 | -178.8 | 66.7 | 0 | 0 | 0 | 111.7 | I155 L196 L215 A216 S217 L222 V223 | I155-L219 HydrophobicContact CG2-CD1 4.3Å; L196-L219 HydrophobicContact CD1-CD1 3.97Å; L196-L219 HydrophobicContact CD1-CD2 3.92Å; L196-L219 HydrophobicContact CD2-CD2 4.18Å; L215-L219 PolarHBondContact O-N 2.99Å; A216-L219 WeakPolarHBondContact O-CB 3.19Å; A216-L219 PolarHBondContact O-N 2.87Å; S217-L219 VanDerWaalsContact C-N 3.32Å; L219-L222 PolarHBondContact O-N 2.93Å; L219-V223 WeakPolarHBondContact O-CG2 3.34Å; L219-V223 PolarHBondContact O-N 3.33Å |
| 220 | M | 97.3 | Very high | 93.2 | Very high | 127 Ų | 127 | 55 Ų | 55 | 63% | 0.626 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.6 | -47 | 174.3 | -69.9 | -171.8 | -71.7 | 0 | 0 | 111.4 | A216 S217 L222 V223 Q224 | A216-M220 PolarHBondContact O-N 3.32Å; S217-M220 PolarHBondContact O-N 2.92Å; M220-L222 VanDerWaalsContact C-N 3.34Å; M220-L222 PolarHBondContact O-N 3.39Å; M220-V223 PolarHBondContact O-N 3.14Å; M220-Q224 WeakPolarHBondContact O-CB 3.38Å; M220-Q224 PolarHBondContact O-N 2.96Å |
| 221 | D | 97.9 | Very high | 91.2 | Very high | 27 Ų | 27 | 54 Ų | 54 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.2 | -46 | 176.3 | -65.8 | -15 | 0 | 0 | 0 | 111.5 | S217 A218 V223 Q224 G225 L253 A257 K261 | S217-D221 VanDerWaalsContact O-CG 3.23Å; S217-D221 PolarHBondContact O-N 3.38Å; A218-D221 PolarHBondContact O-N 3.36Å; D221-V223 PolarHBondContact O-N 2.6Å; D221-Q224 PolarHBondContact O-N 3.49Å; D221-G225 PolarHBondContact O-N 3.41Å; D221-L253 CarbonylContact C-O 3.54Å; D221-L253 HydrophobicContact CB-CD2 3.68Å; D221-L253 WeakPolarHBondContact O-CB 3.34Å; D221-A257 HydrophobicContact CB-CB 3.55Å; D221-A257 WeakPolarHBondContact OD2-CB 3.45Å; D221-K261 IonicContact OD1-NZ 3.65Å; D221-K261 VanDerWaalsContact OD2-CE 3.31Å; D221-K261 WeakPolarHBondContact OD2-CE 3.5Å; D221-K261 IonicContact OD2-NZ 3.93Å; D221-K261 PolarHBondContact OD2-NZ 3.26Å |
| 222 | L | 94.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 178.4 | -74.7 | 174.2 | 0 | 0 | 0 | 111.9 | I155 L159 A218 L219 M220 G225 V226 L253 S254 L258 | I155-L222 HydrophobicContact CG2-CD1 4.12Å; L159-L222 HydrophobicContact CD2-CD1 4.15Å; L159-L222 HydrophobicContact CD2-CD2 3.82Å; L159-L222 HydrophobicContact CD2-CG 4.39Å; A218-L222 VanDerWaalsContact O-CG 3.3Å; A218-L222 WeakPolarHBondContact O-CG 3.13Å; A218-L222 PolarHBondContact O-N 3.48Å; L219-L222 PolarHBondContact O-N 2.93Å; M220-L222 VanDerWaalsContact C-N 3.34Å; M220-L222 PolarHBondContact O-N 3.39Å; L222-G225 PolarHBondContact O-N 2.96Å; L222-V226 WeakPolarHBondContact O-CG2 3.5Å; L222-V226 PolarHBondContact O-N 2.99Å; L222-L253 WeakPolarHBondContact CA-O 3.42Å; L222-L253 WeakPolarHBondContact CD2-O 3.44Å; L222-L253 PolarHBondContact N-O 2.73Å; L222-S254 WeakPolarHBondContact CD2-O 3.26Å; L222-L258 HydrophobicContact CD1-CB 3.95Å; L222-L258 HydrophobicContact CD1-CD2 4.09Å; L222-L258 HydrophobicContact CD1-CG 4.44Å; L222-L258 HydrophobicContact CD2-CB 4.37Å; L222-L258 HydrophobicContact CG-CB 4.37Å |
| 223 | V | 93.4 | Very high | 86.7 | Confident | 91 Ų | 91 | 54.3 Ų | 54.3 | 55% | 0.552 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.1 | -43.7 | 179.4 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | L219 M220 D221 G225 V226 Y227 | L219-V223 WeakPolarHBondContact O-CG2 3.34Å; L219-V223 PolarHBondContact O-N 3.33Å; M220-V223 PolarHBondContact O-N 3.14Å; D221-V223 PolarHBondContact O-N 2.6Å; V223-G225 VanDerWaalsContact C-N 3.34Å; V223-G225 PolarHBondContact O-N 3.49Å; V223-V226 PolarHBondContact O-N 2.82Å; V223-Y227 PolarHBondContact O-N 3.28Å |
| 224 | Q | 93.4 | Very high | 84.3 | Confident | 95 Ų | 95 | 55.3 Ų | 55.3 | 44% | 0.444 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 174.8 | -177.2 | 178.2 | -12.8 | 0 | 0 | 111.3 | M220 D221 V226 Y227 H228 L253 | M220-Q224 WeakPolarHBondContact O-CB 3.38Å; M220-Q224 PolarHBondContact O-N 2.96Å; D221-Q224 PolarHBondContact O-N 3.49Å; Q224-V226 PolarHBondContact O-N 3.37Å; Q224-Y227 WeakPolarHBondContact O-CB 3.36Å; Q224-Y227 PolarHBondContact O-N 2.94Å; Q224-H228 PolarHBondContact O-CD2 3.46Å; Q224-H228 PolarHBondContact O-N 3.34Å; Q224-L253 HydrophobicContact CG-CD1 4.06Å |
| 225 | G | 91.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | D221 L222 V223 Y227 H228 E229 | D221-G225 PolarHBondContact O-N 3.41Å; L222-G225 PolarHBondContact O-N 2.96Å; V223-G225 VanDerWaalsContact C-N 3.34Å; V223-G225 PolarHBondContact O-N 3.49Å; G225-Y227 VanDerWaalsContact C-N 3.31Å; G225-Y227 PolarHBondContact O-N 2.74Å; G225-H228 PolarHBondContact O-N 2.89Å; G225-E229 WeakPolarHBondContact O-CG 3.49Å; G225-E229 PolarHBondContact O-N 3.45Å |
| 226 | V | 86.3 | Confident | 79.3 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 174.3 | 170 | 0 | 0 | 0 | 0 | 111.7 | L159 L222 V223 Q224 H228 E229 N230 | L159-V226 HydrophobicContact CD1-CG2 3.76Å; L222-V226 WeakPolarHBondContact O-CG2 3.5Å; L222-V226 PolarHBondContact O-N 2.99Å; V223-V226 PolarHBondContact O-N 2.82Å; Q224-V226 PolarHBondContact O-N 3.37Å; V226-H228 VanDerWaalsContact C-N 3.32Å; V226-H228 PolarHBondContact O-N 3.48Å; V226-E229 PolarHBondContact O-N 3.13Å; V226-N230 WeakPolarHBondContact CG1-ND2 3.3Å; V226-N230 WeakPolarHBondContact O-CB 3.44Å; V226-N230 PolarHBondContact O-N 3.31Å |
| 227 | Y | 86.6 | Confident | 77.1 | Confident | 172 Ų | 172 | 65.2 Ų | 65.2 | 68% | 0.675 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.8 | -44.7 | 175.4 | -166.6 | -94.6 | 0 | 0 | 0 | 111 | V223 Q224 G225 E229 N230 S231 | V223-Y227 PolarHBondContact O-N 3.28Å; Q224-Y227 WeakPolarHBondContact O-CB 3.36Å; Q224-Y227 PolarHBondContact O-N 2.94Å; G225-Y227 VanDerWaalsContact C-N 3.31Å; G225-Y227 PolarHBondContact O-N 2.74Å; Y227-E229 VanDerWaalsContact C-N 3.35Å; Y227-E229 PolarHBondContact O-N 3.09Å; Y227-N230 PolarHBondContact O-N 3.34Å; Y227-S231 VanDerWaalsContact O-CB 3.31Å; Y227-S231 WeakPolarHBondContact O-CB 3.19Å; Y227-S231 PolarHBondContact O-N 3.02Å; Y227-S231 PolarHBondContact O-OG 3.37Å; Y227-S231 VanDerWaalsContact O-OG 3.07Å |
| 228 | H | 84.3 | Confident | 74.8 | Confident | 54 Ų | 54 | 66.6 Ų | 66.6 | 25% | 0.25 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 175.3 | -68.4 | -54.4 | 0 | 0 | 0 | 113.3 | Q224 G225 V226 S231 Q250 | Q224-H228 PolarHBondContact O-CD2 3.46Å; Q224-H228 PolarHBondContact O-N 3.34Å; G225-H228 PolarHBondContact O-N 2.89Å; V226-H228 VanDerWaalsContact C-N 3.32Å; V226-H228 PolarHBondContact O-N 3.48Å; H228-S231 WeakPolarHBondContact CA-OG 3.38Å; H228-S231 PolarHBondContact O-OG 2.88Å; H228-S231 VanDerWaalsContact O-OG 3.08Å; H228-Q250 HydrophobicContact CB-CB 4.4Å; H228-Q250 HydrophobicContact CB-CG 3.85Å |
| 229 | E | 79.4 | Confident | 72.4 | Confident | 57 Ų | 57 | 70 Ų | 70 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.4 | -36 | 175.6 | -71.4 | 172.3 | 176.5 | 0 | 0 | 112.8 | R163 G225 V226 Y227 T232 S254 H255 | R163-E229 IonicContact CZ-OE2 2.67Å; R163-E229 VanDerWaalsContact CZ-OE2 3.31Å; R163-E229 IonicContact NE-OE2 3.24Å; R163-E229 VanDerWaalsContact NH2-CD 3.28Å; R163-E229 IonicContact NH2-OE1 2.73Å; R163-E229 PolarHBondContact NH2-OE1 2.99Å; R163-E229 VanDerWaalsContact NH2-OE1 3.13Å; R163-E229 IonicContact NH2-OE2 2.79Å; R163-E229 PolarHBondContact NH2-OE2 3.16Å; G225-E229 WeakPolarHBondContact O-CG 3.49Å; G225-E229 PolarHBondContact O-N 3.45Å; V226-E229 PolarHBondContact O-N 3.13Å; Y227-E229 VanDerWaalsContact C-N 3.35Å; Y227-E229 PolarHBondContact O-N 3.09Å; E229-T232 PolarHBondContact O-OG1 3.22Å; E229-S254 WeakPolarHBondContact OE1-CB 3.5Å; E229-S254 PolarHBondContact OE1-OG 3.22Å; E229-H255 IonicContact OE1-CE1 3.17Å; E229-H255 PolarHBondContact OE1-CE1 3.42Å; E229-H255 IonicContact OE1-ND1 3.26Å |
| 230 | N | 69.9 | Low | 70.6 | Confident | 119 Ų | 119 | 70.3 Ų | 70.3 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -90.7 | -22.5 | -175.7 | -72.3 | -19.1 | 0 | 0 | 0 | 113.9 | V226 Y227 T232 | V226-N230 WeakPolarHBondContact CG1-ND2 3.3Å; V226-N230 WeakPolarHBondContact O-CB 3.44Å; V226-N230 PolarHBondContact O-N 3.31Å; Y227-N230 PolarHBondContact O-N 3.34Å; N230-T232 PolarHBondContact O-N 2.99Å |
| 231 | S | 57.3 | Low | 69.2 | Low | 64 Ų | 64 | 68.7 Ų | 68.7 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.1 | -22.2 | 177.9 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | Y227 H228 S233 | Y227-S231 VanDerWaalsContact O-CB 3.31Å; Y227-S231 WeakPolarHBondContact O-CB 3.19Å; Y227-S231 PolarHBondContact O-N 3.02Å; Y227-S231 PolarHBondContact O-OG 3.37Å; Y227-S231 VanDerWaalsContact O-OG 3.07Å; H228-S231 WeakPolarHBondContact CA-OG 3.38Å; H228-S231 PolarHBondContact O-OG 2.88Å; H228-S231 VanDerWaalsContact O-OG 3.08Å; S231-S233 PolarHBondContact O-N 2.85Å |
| 232 | T | 53.2 | Low | 68.4 | Low | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -74.6 | 102.1 | 167.4 | 33.4 | 0 | 0 | 0 | 0 | 109.8 | E229 N230 S236 Y237 D240 I242 N314 | E229-T232 PolarHBondContact O-OG1 3.22Å; N230-T232 PolarHBondContact O-N 2.99Å; T232-S236 WeakPolarHBondContact CA-OG 3.32Å; T232-Y237 WeakPolarHBondContact O-CE1 3.38Å; T232-Y237 PolarHBondContact O-OH 3.33Å; T232-D240 HydrophobicContact CG2-CB 4.11Å; T232-D240 WeakPolarHBondContact CG2-OD2 3.39Å; T232-I242 HydrophobicContact CG2-CD1 4.45Å; T232-N314 PolarHBondContact OG1-ND2 2.81Å |
| 233 | S | 48.3 | Very low | 68.1 | Low | 60 Ų | 60 | 69 Ų | 69 | 42% | 0.42 | 36% | 0.356 | S | S | . | . | trans | -81.1 | 169 | 173.6 | 68.8 | 0 | 0 | 0 | 0 | 112.2 | S231 E235 S236 Y237 | S231-S233 PolarHBondContact O-N 2.85Å; S233-E235 PolarHBondContact O-N 2.9Å; S233-S236 WeakPolarHBondContact O-CA 3.27Å; S233-S236 PolarHBondContact O-N 2.8Å; S233-Y237 VanDerWaalsContact C-CE2 3.41Å; S233-Y237 VanDerWaalsContact C-CZ 3.42Å; S233-Y237 VanDerWaalsContact O-CD2 3.25Å; S233-Y237 WeakPolarHBondContact O-CD2 3.32Å; S233-Y237 VanDerWaalsContact O-CE2 3.26Å; S233-Y237 WeakPolarHBondContact O-CE2 3.39Å; S233-Y237 PolarHBondContact O-N 3.47Å | ||
| 234 | K | 49.3 | Very low | 68 | Low | 129 Ų | 129 | 65.8 Ų | 65.8 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -25.8 | 175.1 | -84.2 | 175.5 | 174.4 | 164.3 | 0 | 115.9 | E170 Y237 | E170-K234 WeakPolarHBondContact OE2-CE 3.47Å; E170-K234 IonicContact OE2-NZ 2.66Å; E170-K234 PolarHBondContact OE2-NZ 3.46Å; K234-Y237 VanDerWaalsContact CA-CD2 3.45Å; K234-Y237 HydrophobicContact CB-CE2 4.11Å; K234-Y237 HydrophobicContact CG-CE2 3.78Å; K234-Y237 VanDerWaalsContact N-CE2 3.33Å |
| 235 | E | 44 | Very low | 68 | Low | 169 Ų | 169 | 65.4 Ų | 65.4 | 79% | 0.79 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -21.9 | 177.3 | -67.5 | 170.5 | 168.2 | 0 | 0 | 112.3 | S233 | S233-E235 PolarHBondContact O-N 2.9Š|
| 236 | S | 48 | Very low | 68.1 | Low | 15 Ų | 15 | 68 Ų | 68 | 11% | 0.105 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -21.5 | -177.2 | 150.4 | 0 | 0 | 0 | 0 | 114.2 | T232 S233 I238 T239 D240 | T232-S236 WeakPolarHBondContact CA-OG 3.32Å; S233-S236 WeakPolarHBondContact O-CA 3.27Å; S233-S236 PolarHBondContact O-N 2.8Å; S236-I238 PolarHBondContact O-N 3.46Å; S236-I238 VanDerWaalsContact O-N 3.08Å; S236-T239 WeakPolarHBondContact CA-OG1 3.5Å; S236-T239 PolarHBondContact O-N 3.27Å; S236-T239 PolarHBondContact O-OG1 3.02Å; S236-D240 PolarHBondContact O-N 3.46Å; S236-D240 PolarHBondContact OG-OD1 3.23Å; S236-D240 PolarHBondContact OG-OD2 3.17Å |
| 237 | Y | 50.2 | Low | 68.4 | Low | 81 Ų | 81 | 67.1 Ų | 67.1 | 32% | 0.318 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -20.9 | 176.7 | -49.5 | -57.8 | 0 | 0 | 0 | 114.3 | T232 S233 K234 | T232-Y237 WeakPolarHBondContact O-CE1 3.38Å; T232-Y237 PolarHBondContact O-OH 3.33Å; S233-Y237 VanDerWaalsContact C-CE2 3.41Å; S233-Y237 VanDerWaalsContact C-CZ 3.42Å; S233-Y237 VanDerWaalsContact O-CD2 3.25Å; S233-Y237 WeakPolarHBondContact O-CD2 3.32Å; S233-Y237 VanDerWaalsContact O-CE2 3.26Å; S233-Y237 WeakPolarHBondContact O-CE2 3.39Å; S233-Y237 PolarHBondContact O-N 3.47Å; K234-Y237 VanDerWaalsContact CA-CD2 3.45Å; K234-Y237 HydrophobicContact CB-CE2 4.11Å; K234-Y237 HydrophobicContact CG-CE2 3.78Å; K234-Y237 VanDerWaalsContact N-CE2 3.33Å |
| 238 | I | 51.5 | Low | 68.9 | Low | 55 Ų | 55 | 62.4 Ų | 62.4 | 28% | 0.282 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -18.7 | 177.7 | -51.3 | -177.8 | 0 | 0 | 0 | 110.4 | S236 I334 | S236-I238 PolarHBondContact O-N 3.46Å; S236-I238 VanDerWaalsContact O-N 3.08Å; I238-I334 HydrophobicContact CD1-CG2 4.06Å; I238-I334 HydrophobicContact CG1-CG2 4Å; I238-I334 HydrophobicContact CG2-CG2 4.04Å |
| 239 | T | 47.5 | Very low | 69.4 | Low | 71 Ų | 71 | 65.8 Ų | 65.8 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -19.8 | -168.8 | 59.4 | 0 | 0 | 0 | 0 | 115.3 | S236 D241 R327 | S236-T239 WeakPolarHBondContact CA-OG1 3.5Å; S236-T239 PolarHBondContact O-N 3.27Å; S236-T239 PolarHBondContact O-OG1 3.02Å; T239-D241 PolarHBondContact O-N 3.17Å; T239-R327 PolarHBondContact O-NH2 3.28Å |
| 240 | D | 58.8 | Low | 70.1 | Confident | 60 Ų | 60 | 64.6 Ų | 64.6 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | trans | -77.3 | 114.9 | -176.1 | -80.3 | 26.2 | 0 | 0 | 0 | 111.1 | T232 S236 I242 | T232-D240 HydrophobicContact CG2-CB 4.11Å; T232-D240 WeakPolarHBondContact CG2-OD2 3.39Å; S236-D240 PolarHBondContact O-N 3.46Å; S236-D240 PolarHBondContact OG-OD1 3.23Å; S236-D240 PolarHBondContact OG-OD2 3.17Å; D240-I242 HydrophobicContact CB-CD1 4.29Å; D240-I242 HydrophobicContact CB-CG1 4.02Å; D240-I242 PolarHBondContact O-N 3.47Å | ||
| 241 | D | 67.9 | Low | 71.2 | Confident | 93 Ų | 93 | 59.3 Ų | 59.3 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | trans | -84.9 | 58.7 | -178.7 | -159 | 8.8 | 0 | 0 | 0 | 110.5 | T239 G243 R327 | T239-D241 PolarHBondContact O-N 3.17Å; D241-G243 PolarHBondContact O-N 3.34Å; D241-G243 VanDerWaalsContact O-N 3.11Å; D241-R327 VanDerWaalsContact CB-NH1 3.33Å; D241-R327 WeakPolarHBondContact OD2-CD 3.44Å; D241-R327 IonicContact OD2-CZ 2.67Å; D241-R327 IonicContact OD2-NE 2.79Å; D241-R327 IonicContact OD2-NH1 3.33Å; D241-R327 PolarHBondContact OD2-NH1 2.97Å | ||
| 242 | I | 81.1 | Confident | 73.1 | Confident | 16 Ų | 16 | 58 Ų | 58 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | trans | -77.1 | 102 | -179.2 | -53.2 | -179.8 | 0 | 0 | 0 | 107.6 | T232 D240 T246 W247 V319 | T232-I242 HydrophobicContact CG2-CD1 4.45Å; D240-I242 HydrophobicContact CB-CD1 4.29Å; D240-I242 HydrophobicContact CB-CG1 4.02Å; D240-I242 PolarHBondContact O-N 3.47Å; I242-T246 HydrophobicContact CG2-CG2 3.9Å; I242-W247 HydrophobicContact CG2-CB 4.18Å; I242-V319 VanDerWaalsContact O-CG1 3.24Å; I242-V319 WeakPolarHBondContact O-CG1 3.39Å | ||
| 243 | G | 88.3 | Confident | 75.2 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | trans | -69.6 | 164.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D241 S245 T246 W247 | D241-G243 PolarHBondContact O-N 3.34Å; D241-G243 VanDerWaalsContact O-N 3.11Å; G243-S245 PolarHBondContact O-N 3.39Å; G243-S245 VanDerWaalsContact O-N 3.14Å; G243-T246 PolarHBondContact O-N 3.41Å; G243-T246 VanDerWaalsContact O-N 3.13Å; G243-W247 PolarHBondContact O-N 2.88Å | ||
| 244 | I | 92.8 | Very high | 77.3 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.9 | -29 | -175.6 | -167 | 58.7 | 0 | 0 | 0 | 113.7 | W247 K248 V319 L320 E323 L364 | I244-W247 HydrophobicContact CD1-CB 4.44Å; I244-W247 HydrophobicContact CD1-CD2 4.23Å; I244-W247 HydrophobicContact CD1-CE3 3.74Å; I244-W247 HydrophobicContact CD1-CZ3 4.5Å; I244-K248 WeakPolarHBondContact O-CB 3.42Å; I244-K248 VanDerWaalsContact O-CG 3.26Å; I244-K248 WeakPolarHBondContact O-CG 3.46Å; I244-K248 PolarHBondContact O-N 2.66Å; I244-V319 HydrophobicContact CB-CG1 4.42Å; I244-V319 HydrophobicContact CD1-CG1 4.24Å; I244-L320 HydrophobicContact CB-CD2 4.16Å; I244-L320 HydrophobicContact CD1-CD1 4.34Å; I244-L320 HydrophobicContact CD1-CD2 3.88Å; I244-L320 HydrophobicContact CD1-CG 3.83Å; I244-L320 HydrophobicContact CG1-CD2 3.78Å; I244-L320 HydrophobicContact CG1-CG 4.32Å; I244-E323 WeakPolarHBondContact CB-OE2 3.41Å; I244-E323 WeakPolarHBondContact CG2-OE2 3.42Å; I244-E323 PolarHBondContact N-OE2 2.88Å; I244-L364 HydrophobicContact CD1-CD2 4.14Å; I244-L364 HydrophobicContact CG1-CD2 4.47Å |
| 245 | S | 93.3 | Very high | 79.3 | Confident | 86 Ų | 86 | 51.2 Ų | 51.2 | 60% | 0.601 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.3 | -50.1 | 175.8 | 53 | 0 | 0 | 0 | 0 | 111.6 | G243 W247 K248 E249 | G243-S245 PolarHBondContact O-N 3.39Å; G243-S245 VanDerWaalsContact O-N 3.14Å; S245-W247 VanDerWaalsContact C-N 3.35Å; S245-K248 WeakPolarHBondContact O-CB 3.39Å; S245-K248 PolarHBondContact O-N 2.98Å; S245-E249 PolarHBondContact O-N 3.23Å; S245-E249 VanDerWaalsContact O-N 3.16Å |
| 246 | T | 92.1 | Very high | 81.8 | Confident | 56 Ų | 56 | 43.1 Ų | 43.1 | 34% | 0.344 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.3 | -41.5 | 178.7 | -53.4 | 0 | 0 | 0 | 0 | 110.6 | I242 G243 K248 E249 Q250 | I242-T246 HydrophobicContact CG2-CG2 3.9Å; G243-T246 PolarHBondContact O-N 3.41Å; G243-T246 VanDerWaalsContact O-N 3.13Å; T246-K248 VanDerWaalsContact C-N 3.32Å; T246-K248 PolarHBondContact O-N 3.43Å; T246-E249 PolarHBondContact O-N 3.21Å; T246-Q250 HydrophobicContact CG2-CG 4.34Å; T246-Q250 WeakPolarHBondContact O-CB 3.4Å; T246-Q250 WeakPolarHBondContact O-CG 3.29Å; T246-Q250 PolarHBondContact O-N 2.86Å |
| 247 | W | 93.4 | Very high | 84.2 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.7 | -43.7 | 174.5 | 178.7 | 87.6 | 0 | 0 | 0 | 112 | I242 G243 I244 S245 E249 T251 M289 I293 N314 A316 V319 L364 | I242-W247 HydrophobicContact CG2-CB 4.18Å; G243-W247 PolarHBondContact O-N 2.88Å; I244-W247 HydrophobicContact CD1-CB 4.44Å; I244-W247 HydrophobicContact CD1-CD2 4.23Å; I244-W247 HydrophobicContact CD1-CE3 3.74Å; I244-W247 HydrophobicContact CD1-CZ3 4.5Å; S245-W247 VanDerWaalsContact C-N 3.35Å; W247-E249 PolarHBondContact O-N 3.4Å; W247-T251 HydrophobicContact CH2-CG2 3.94Å; W247-T251 HydrophobicContact CZ2-CG2 4.02Å; W247-T251 WeakPolarHBondContact CZ2-OG1 3.46Å; W247-T251 WeakPolarHBondContact O-CB 3.39Å; W247-T251 PolarHBondContact O-N 3.04Å; W247-T251 PolarHBondContact O-OG1 3.03Å; W247-M289 HydrophobicContact CH2-CE 4.49Å; W247-M289 HydrophobicContact CZ3-CE 4.04Å; W247-I293 HydrophobicContact CH2-CD1 4.39Å; W247-I293 HydrophobicContact CH2-CG1 3.57Å; W247-I293 HydrophobicContact CZ3-CG1 4.14Å; W247-N314 PolarHBondContact NE1-O 3.37Å; W247-A316 HydrophobicContact CD2-CB 4.48Å; W247-A316 HydrophobicContact CH2-CB 3.7Å; W247-A316 HydrophobicContact CZ2-CB 3.58Å; W247-A316 HydrophobicContact CZ3-CB 4.14Å; W247-V319 HydrophobicContact CB-CG1 4.13Å; W247-V319 HydrophobicContact CB-CG2 4.48Å; W247-V319 HydrophobicContact CG-CG1 4.5Å; W247-V319 HydrophobicContact CG-CG2 4.29Å; W247-L364 HydrophobicContact CZ3-CD2 4.29Å |
| 248 | K | 95.9 | Very high | 86.4 | Confident | 73 Ų | 73 | 38.6 Ų | 38.6 | 32% | 0.317 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 178.5 | -77.8 | 171.4 | -179.8 | 176.3 | 0 | 111.9 | I244 S245 T246 F252 M289 | I244-K248 WeakPolarHBondContact O-CB 3.42Å; I244-K248 VanDerWaalsContact O-CG 3.26Å; I244-K248 WeakPolarHBondContact O-CG 3.46Å; I244-K248 PolarHBondContact O-N 2.66Å; S245-K248 WeakPolarHBondContact O-CB 3.39Å; S245-K248 PolarHBondContact O-N 2.98Å; T246-K248 VanDerWaalsContact C-N 3.32Å; T246-K248 PolarHBondContact O-N 3.43Å; K248-F252 WeakPolarHBondContact O-CB 3.35Å; K248-F252 PolarHBondContact O-N 2.95Å; K248-M289 HydrophobicContact CB-CE 4.3Å; K248-M289 HydrophobicContact CG-CE 4.29Å |
| 249 | E | 95.4 | Very high | 88.7 | Confident | 125 Ų | 125 | 36.2 Ų | 36.2 | 58% | 0.584 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -64.3 | -53.3 | 178.4 | -176.4 | 174 | -170.5 | 0 | 0 | 111.2 | S245 T246 W247 T251 F252 L253 | S245-E249 PolarHBondContact O-N 3.23Å; S245-E249 VanDerWaalsContact O-N 3.16Å; T246-E249 PolarHBondContact O-N 3.21Å; W247-E249 PolarHBondContact O-N 3.4Å; E249-T251 VanDerWaalsContact C-N 3.28Å; E249-T251 PolarHBondContact O-N 3.5Å; E249-F252 WeakPolarHBondContact O-CB 3.17Å; E249-F252 PolarHBondContact O-N 3.17Å; E249-F252 VanDerWaalsContact O-N 3.14Å; E249-L253 WeakPolarHBondContact O-CG 3.33Å; E249-L253 PolarHBondContact O-N 2.89Å |
| 250 | Q | 93.9 | Very high | 91.1 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 15% | 0.15 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.1 | -41.1 | 178.5 | -68.3 | 176 | -10 | 0 | 0 | 111.9 | H228 T246 L253 S254 | H228-Q250 HydrophobicContact CB-CB 4.4Å; H228-Q250 HydrophobicContact CB-CG 3.85Å; T246-Q250 HydrophobicContact CG2-CG 4.34Å; T246-Q250 WeakPolarHBondContact O-CB 3.4Å; T246-Q250 WeakPolarHBondContact O-CG 3.29Å; T246-Q250 PolarHBondContact O-N 2.86Å; Q250-L253 PolarHBondContact O-N 3.19Å; Q250-S254 WeakPolarHBondContact O-CB 3.27Å; Q250-S254 PolarHBondContact O-N 3.46Å; Q250-S254 PolarHBondContact O-OG 3.19Å |
| 251 | T | 93.6 | Very high | 93 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.3 | -39.3 | 178 | -61.7 | 0 | 0 | 0 | 0 | 112 | W247 E249 L253 S254 H255 M289 K292 | W247-T251 HydrophobicContact CH2-CG2 3.94Å; W247-T251 HydrophobicContact CZ2-CG2 4.02Å; W247-T251 WeakPolarHBondContact CZ2-OG1 3.46Å; W247-T251 WeakPolarHBondContact O-CB 3.39Å; W247-T251 PolarHBondContact O-N 3.04Å; W247-T251 PolarHBondContact O-OG1 3.03Å; E249-T251 VanDerWaalsContact C-N 3.28Å; E249-T251 PolarHBondContact O-N 3.5Å; T251-L253 VanDerWaalsContact C-N 3.35Å; T251-S254 PolarHBondContact O-N 2.92Å; T251-H255 WeakPolarHBondContact O-CB 3.43Å; T251-H255 PolarHBondContact O-N 3.16Å; T251-M289 HydrophobicContact CG2-CE 4.12Å; T251-M289 HydrophobicContact CG2-SD 3.83Å; T251-K292 HydrophobicContact CG2-CB 4.23Å; T251-K292 HydrophobicContact CG2-CG 3.53Å |
| 252 | F | 97.4 | Very high | 94.5 | Very high | 36 Ų | 36 | 26.8 Ų | 26.8 | 16% | 0.158 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -60.3 | -48.2 | 173.5 | 171.4 | -105.8 | 0 | 0 | 0 | 110.6 | K248 E249 S254 G256 A257 A260 F281 K285 M289 | K248-F252 WeakPolarHBondContact O-CB 3.35Å; K248-F252 PolarHBondContact O-N 2.95Å; E249-F252 WeakPolarHBondContact O-CB 3.17Å; E249-F252 PolarHBondContact O-N 3.17Å; E249-F252 VanDerWaalsContact O-N 3.14Å; F252-S254 PolarHBondContact O-N 3.36Å; F252-G256 CarbonylContact O-C 3.5Å; F252-G256 VanDerWaalsContact O-CA 3.28Å; F252-G256 WeakPolarHBondContact O-CA 3.44Å; F252-G256 PolarHBondContact O-N 2.91Å; F252-A257 HydrophobicContact CE1-CB 4.29Å; F252-A257 HydrophobicContact CZ-CB 4.2Å; F252-A257 PolarHBondContact O-N 3.44Å; F252-A260 HydrophobicContact CE2-CB 4.15Å; F252-F281 HydrophobicContact CE2-CZ 4.3Å; F252-F281 HydrophobicContact CZ-CE2 4.31Å; F252-F281 AromaticContact CZ-CZ 3.79Å; F252-F281 HydrophobicContact CZ-CZ 3.79Å; F252-K285 HydrophobicContact CD2-CD 4.27Å; F252-K285 HydrophobicContact CD2-CG 3.81Å; F252-K285 HydrophobicContact CE2-CB 4.05Å; F252-K285 HydrophobicContact CE2-CD 3.98Å; F252-K285 HydrophobicContact CE2-CG 3.7Å; F252-M289 HydrophobicContact CB-SD 4.12Å |
| 253 | L | 96.8 | Very high | 95.3 | Very high | 15 Ų | 15 | 26 Ų | 26 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -57.9 | -49 | 178.1 | -66.6 | 178.4 | 0 | 0 | 0 | 111.7 | D221 L222 Q224 E249 Q250 T251 | D221-L253 CarbonylContact C-O 3.54Å; D221-L253 HydrophobicContact CB-CD2 3.68Å; D221-L253 WeakPolarHBondContact O-CB 3.34Å; L222-L253 WeakPolarHBondContact CA-O 3.42Å; L222-L253 WeakPolarHBondContact CD2-O 3.44Å; L222-L253 PolarHBondContact N-O 2.73Å; Q224-L253 HydrophobicContact CG-CD1 4.06Å; E249-L253 WeakPolarHBondContact O-CG 3.33Å; E249-L253 PolarHBondContact O-N 2.89Å; Q250-L253 PolarHBondContact O-N 3.19Å; T251-L253 VanDerWaalsContact C-N 3.35Å |
| 254 | S | 92.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -84.9 | -18.6 | -171.6 | 73.6 | 0 | 0 | 0 | 0 | 115.6 | L222 E229 Q250 T251 F252 | L222-S254 WeakPolarHBondContact CD2-O 3.26Å; E229-S254 WeakPolarHBondContact OE1-CB 3.5Å; E229-S254 PolarHBondContact OE1-OG 3.22Å; Q250-S254 WeakPolarHBondContact O-CB 3.27Å; Q250-S254 PolarHBondContact O-N 3.46Å; Q250-S254 PolarHBondContact O-OG 3.19Å; T251-S254 PolarHBondContact O-N 2.92Å; F252-S254 PolarHBondContact O-N 3.36Å |
| 255 | H | 91.6 | Very high | 96.1 | Very high | 32 Ų | 32 | 25.8 Ų | 25.8 | 15% | 0.148 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -129.3 | -31.8 | -176.4 | -66.7 | 79.1 | 0 | 0 | 0 | 114.7 | E229 T251 K292 | E229-H255 IonicContact OE1-CE1 3.17Å; E229-H255 PolarHBondContact OE1-CE1 3.42Å; E229-H255 IonicContact OE1-ND1 3.26Å; T251-H255 WeakPolarHBondContact O-CB 3.43Å; T251-H255 PolarHBondContact O-N 3.16Å; H255-K292 HydrophobicContact CB-CB 4.46Å; H255-K292 HydrophobicContact CB-CG 4.4Å |
| 256 | G | 95.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | I | π-helix | trans | -97.8 | -36.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | F252 L258 L259 A260 | F252-G256 CarbonylContact O-C 3.5Å; F252-G256 VanDerWaalsContact O-CA 3.28Å; F252-G256 WeakPolarHBondContact O-CA 3.44Å; F252-G256 PolarHBondContact O-N 2.91Å; G256-L258 VanDerWaalsContact C-N 3.34Å; G256-L258 PolarHBondContact O-N 3.32Å; G256-L259 PolarHBondContact O-N 3.39Å; G256-L259 VanDerWaalsContact O-N 3.14Å; G256-A260 WeakPolarHBondContact O-CB 3.26Å; G256-A260 PolarHBondContact O-N 2.74Å |
| 257 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.3 | -44.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113 | D221 F252 A260 K261 | D221-A257 HydrophobicContact CB-CB 3.55Å; D221-A257 WeakPolarHBondContact OD2-CB 3.45Å; F252-A257 HydrophobicContact CE1-CB 4.29Å; F252-A257 HydrophobicContact CZ-CB 4.2Å; F252-A257 PolarHBondContact O-N 3.44Å; A257-A260 PolarHBondContact O-N 3.42Å; A257-K261 WeakPolarHBondContact O-CB 3.48Å; A257-K261 WeakPolarHBondContact O-CG 3.43Å; A257-K261 PolarHBondContact O-N 3.18Å |
| 258 | L | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.5 | -48.5 | 178 | -179.1 | 62.5 | 0 | 0 | 0 | 112.3 | T152 I155 H156 L215 A218 L222 G256 S262 | T152-L258 HydrophobicContact CG2-CD1 4.27Å; T152-L258 HydrophobicContact CG2-CD2 4.32Å; T152-L258 HydrophobicContact CG2-CG 4.03Å; I155-L258 HydrophobicContact CB-CD1 4.34Å; I155-L258 HydrophobicContact CB-CD2 4.28Å; I155-L258 HydrophobicContact CD1-CD1 4.35Å; I155-L258 HydrophobicContact CG2-CD1 4.02Å; I155-L258 HydrophobicContact CG2-CD2 3.98Å; H156-L258 HydrophobicContact CB-CD2 3.89Å; L215-L258 HydrophobicContact CD1-CD1 3.84Å; A218-L258 HydrophobicContact CB-CD1 4.28Å; L222-L258 HydrophobicContact CD1-CB 3.95Å; L222-L258 HydrophobicContact CD1-CD2 4.09Å; L222-L258 HydrophobicContact CD1-CG 4.44Å; L222-L258 HydrophobicContact CD2-CB 4.37Å; L222-L258 HydrophobicContact CG-CB 4.37Å; G256-L258 VanDerWaalsContact C-N 3.34Å; G256-L258 PolarHBondContact O-N 3.32Å; L258-S262 VanDerWaalsContact O-CB 3.22Å; L258-S262 WeakPolarHBondContact O-CB 3.38Å; L258-S262 PolarHBondContact O-N 2.83Å; L258-S262 PolarHBondContact O-OG 2.63Å |
| 259 | L | 98 | Very high | 96.7 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.5 | -45.1 | -178.9 | -174.6 | 56.4 | 0 | 0 | 0 | 111.3 | R112 V115 V116 G256 S262 C263 M287 A288 | R112-L259 HydrophobicContact CB-CD1 3.92Å; R112-L259 HydrophobicContact CG-CD1 4.13Å; V115-L259 HydrophobicContact CB-CD1 4.04Å; V115-L259 HydrophobicContact CG1-CD1 3.73Å; V115-L259 HydrophobicContact CG1-CD2 4.28Å; V115-L259 HydrophobicContact CG1-CG 4.32Å; V116-L259 HydrophobicContact CG2-CD1 4.42Å; G256-L259 PolarHBondContact O-N 3.39Å; G256-L259 VanDerWaalsContact O-N 3.14Å; L259-S262 PolarHBondContact O-N 3.08Å; L259-C263 PolarHBondContact O-N 3.46Å; L259-C263 PolarHBondContact O-SG 3.06Å; L259-M287 HydrophobicContact CD2-SD 4.2Å; L259-A288 HydrophobicContact CB-CB 4.3Å; L259-A288 HydrophobicContact CD2-CB 4.05Å |
| 260 | A | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.9 | -51.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F252 G256 A257 C263 Q264 F281 K285 | F252-A260 HydrophobicContact CE2-CB 4.15Å; G256-A260 WeakPolarHBondContact O-CB 3.26Å; G256-A260 PolarHBondContact O-N 2.74Å; A257-A260 PolarHBondContact O-N 3.42Å; A260-C263 PolarHBondContact O-N 3.37Å; A260-Q264 PolarHBondContact O-N 3.01Å; A260-F281 HydrophobicContact CB-CD2 3.64Å; A260-F281 HydrophobicContact CB-CE2 3.58Å; A260-F281 HydrophobicContact CB-CG 4.22Å; A260-F281 HydrophobicContact CB-CZ 4.12Å; A260-K285 HydrophobicContact CB-CB 3.86Å |
| 261 | K | 98.8 | Very high | 96.6 | Very high | 26 Ų | 26 | 15.8 Ų | 15.8 | 11% | 0.113 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -71.3 | -30.9 | -178.5 | -68.4 | 175.3 | 171.4 | -177 | 0 | 112.4 | S217 A218 D221 A257 Q264 A265 F281 | S217-K261 PolarHBondContact O-NZ 3Å; S217-K261 WeakPolarHBondContact OG-CE 3.46Å; S217-K261 PolarHBondContact OG-NZ 3.32Å; A218-K261 HydrophobicContact CB-CB 4.02Å; A218-K261 HydrophobicContact CB-CD 3.6Å; A218-K261 HydrophobicContact CB-CG 4.38Å; D221-K261 IonicContact OD1-NZ 3.65Å; D221-K261 VanDerWaalsContact OD2-CE 3.31Å; D221-K261 WeakPolarHBondContact OD2-CE 3.5Å; D221-K261 IonicContact OD2-NZ 3.93Å; D221-K261 PolarHBondContact OD2-NZ 3.26Å; A257-K261 WeakPolarHBondContact O-CB 3.48Å; A257-K261 WeakPolarHBondContact O-CG 3.43Å; A257-K261 PolarHBondContact O-N 3.18Å; K261-Q264 PolarHBondContact O-N 2.97Å; K261-A265 VanDerWaalsContact O-CB 3.22Å; K261-A265 WeakPolarHBondContact O-CB 3.33Å; K261-A265 PolarHBondContact O-N 3.11Å; K261-F281 HydrophobicContact CG-CD2 4.32Å; K261-F281 HydrophobicContact CG-CE2 3.97Å |
| 262 | S | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.9 | -40.4 | 171.7 | -68.6 | 0 | 0 | 0 | 0 | 112.7 | T152 L215 L258 L259 Q264 A265 A266 | T152-S262 VanDerWaalsContact CG2-OG 3.24Å; T152-S262 WeakPolarHBondContact CG2-OG 3.48Å; T152-S262 WeakPolarHBondContact OG1-CB 3.44Å; T152-S262 PolarHBondContact OG1-OG 2.88Å; L215-S262 WeakPolarHBondContact CD1-OG 3.42Å; L258-S262 VanDerWaalsContact O-CB 3.22Å; L258-S262 WeakPolarHBondContact O-CB 3.38Å; L258-S262 PolarHBondContact O-N 2.83Å; L258-S262 PolarHBondContact O-OG 2.63Å; L259-S262 PolarHBondContact O-N 3.08Å; S262-Q264 VanDerWaalsContact C-N 3.35Å; S262-A265 PolarHBondContact O-N 3.02Å; S262-A266 WeakPolarHBondContact O-CB 3.48Å; S262-A266 PolarHBondContact O-N 2.87Å |
| 263 | C | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 173.5 | -70.4 | 0 | 0 | 0 | 0 | 111.3 | I119 L259 A260 A266 M267 A280 | I119-C263 HydrophobicContact CG2-CB 4.23Å; L259-C263 PolarHBondContact O-N 3.46Å; L259-C263 PolarHBondContact O-SG 3.06Å; A260-C263 PolarHBondContact O-N 3.37Å; C263-A266 WeakPolarHBondContact O-CB 3.36Å; C263-A266 PolarHBondContact O-N 3.09Å; C263-M267 PolarHBondContact O-N 2.85Å; C263-A280 HydrophobicContact CB-CB 4.13Å; C263-A280 WeakPolarHBondContact CB-O 3.41Å; C263-A280 WeakPolarHBondContact O-CB 3.18Å |
| 264 | Q | 98.8 | Very high | 96.6 | Very high | 41 Ų | 41 | 21.9 Ų | 21.9 | 19% | 0.192 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.3 | -49.3 | 173.6 | -169.6 | 179.8 | 10.7 | 0 | 0 | 112.2 | L214 A260 K261 S262 A266 M267 E268 Q277 F281 | L214-Q264 HydrophobicContact CD1-CG 4.2Å; A260-Q264 PolarHBondContact O-N 3.01Å; K261-Q264 PolarHBondContact O-N 2.97Å; S262-Q264 VanDerWaalsContact C-N 3.35Å; Q264-A266 PolarHBondContact O-N 2.84Å; Q264-M267 WeakPolarHBondContact O-CB 3.05Å; Q264-M267 PolarHBondContact O-N 2.93Å; Q264-E268 PolarHBondContact O-N 3.28Å; Q264-Q277 HydrophobicContact CG-CB 4.12Å; Q264-F281 HydrophobicContact CB-CB 4.08Å; Q264-F281 HydrophobicContact CG-CB 4.41Å |
| 265 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -31 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L148 V211 L214 L215 K261 S262 M267 E268 L269 | L148-A265 HydrophobicContact CD1-CB 4.37Å; L148-A265 HydrophobicContact CD2-CB 3.65Å; V211-A265 HydrophobicContact CG1-CB 4.09Å; V211-A265 HydrophobicContact CG2-CB 4.22Å; L214-A265 HydrophobicContact CD1-CB 3.99Å; L215-A265 HydrophobicContact CD2-CB 3.56Å; K261-A265 VanDerWaalsContact O-CB 3.22Å; K261-A265 WeakPolarHBondContact O-CB 3.33Å; K261-A265 PolarHBondContact O-N 3.11Å; S262-A265 PolarHBondContact O-N 3.02Å; A265-M267 VanDerWaalsContact C-N 3.31Å; A265-M267 PolarHBondContact O-N 3.1Å; A265-E268 PolarHBondContact O-N 3.02Å; A265-L269 WeakPolarHBondContact O-CG 3.43Å; A265-L269 PolarHBondContact O-N 3.41Å |
| 266 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.6 | -35.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | V116 Q145 L148 S262 C263 Q264 A270 | V116-A266 HydrophobicContact CG1-CB 4.1Å; Q145-A266 PolarHBondContact NE2-O 3.18Å; L148-A266 HydrophobicContact CD2-CB 3.99Å; L148-A266 VanDerWaalsContact CD2-N 3.33Å; S262-A266 WeakPolarHBondContact O-CB 3.48Å; S262-A266 PolarHBondContact O-N 2.87Å; C263-A266 WeakPolarHBondContact O-CB 3.36Å; C263-A266 PolarHBondContact O-N 3.09Å; Q264-A266 PolarHBondContact O-N 2.84Å; A266-A270 PolarHBondContact O-N 3.47Å |
| 267 | M | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72 | -40.9 | 174.6 | -64.9 | -54.2 | 100 | 0 | 0 | 111.5 | I119 A123 C263 Q264 A265 L269 A270 K271 H272 V276 Q277 A280 F379 | I119-M267 HydrophobicContact CG1-CE 4.47Å; I119-M267 HydrophobicContact CG2-CE 4.33Å; A123-M267 HydrophobicContact CB-CE 3.67Å; A123-M267 HydrophobicContact CB-SD 3.38Å; A123-M267 WeakPolarHBondContact CB-SD 3.26Å; C263-M267 PolarHBondContact O-N 2.85Å; Q264-M267 WeakPolarHBondContact O-CB 3.05Å; Q264-M267 PolarHBondContact O-N 2.93Å; A265-M267 VanDerWaalsContact C-N 3.31Å; A265-M267 PolarHBondContact O-N 3.1Å; M267-L269 PolarHBondContact O-N 3.49Å; M267-A270 CarbonylContact O-C 3.47Å; M267-A270 PolarHBondContact O-N 3.3Å; M267-A270 VanDerWaalsContact O-N 3.13Å; M267-K271 PolarHBondContact O-N 2.82Å; M267-K271 VanDerWaalsContact O-N 3.08Å; M267-H272 HydrophobicContact CB-CB 4.18Å; M267-H272 PolarHBondContact O-N 3.44Å; M267-H272 VanDerWaalsContact O-N 3.08Å; M267-V276 HydrophobicContact CG-CG1 4.17Å; M267-V276 HydrophobicContact SD-CG1 3.79Å; M267-Q277 HydrophobicContact CB-CB 4.31Å; M267-Q277 HydrophobicContact CB-CG 3.64Å; M267-A280 HydrophobicContact CG-CB 3.42Å; M267-A280 VanDerWaalsContact CG-CB 3.42Å; M267-A280 HydrophobicContact SD-CB 4.46Å; M267-F379 HydrophobicContact SD-CE1 3.97Å |
| 268 | E | 97.3 | Very high | 97.2 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 173.3 | 173.1 | 57.7 | -154.8 | 0 | 0 | 111.7 | N208 K210 V211 Q264 A265 A270 K271 Q277 | N208-E268 PolarHBondContact ND2-OE1 3.43Å; K210-E268 HydrophobicContact CB-CG 4.24Å; K210-E268 HydrophobicContact CG-CG 4.24Å; V211-E268 HydrophobicContact CG2-CB 4.32Å; V211-E268 HydrophobicContact CG2-CG 3.84Å; Q264-E268 PolarHBondContact O-N 3.28Å; A265-E268 PolarHBondContact O-N 3.02Å; E268-A270 PolarHBondContact O-N 3.33Å; E268-K271 PolarHBondContact O-N 3.32Å; E268-Q277 PolarHBondContact OE2-NE2 2.9Å; E268-Q277 PolarHBondContact OE2-OE1 3.32Å |
| 269 | L | 95.5 | Very high | 97.2 | Very high | 15 Ų | 15 | 35 Ų | 35 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -31.2 | 175.9 | -75.5 | 174.6 | 0 | 0 | 0 | 113.5 | C144 Q145 L148 L206 N208 V211 A265 M267 K271 | C144-L269 HydrophobicContact CB-CD1 4.23Å; C144-L269 HydrophobicContact CB-CD2 4.19Å; Q145-L269 HydrophobicContact CG-CB 4.16Å; Q145-L269 HydrophobicContact CG-CD1 4.47Å; L148-L269 HydrophobicContact CB-CD1 3.78Å; L148-L269 HydrophobicContact CD2-CD1 3.69Å; L148-L269 HydrophobicContact CG-CD1 4.28Å; L206-L269 HydrophobicContact CD1-CD1 4.33Å; N208-L269 HydrophobicContact CB-CD2 4.17Å; V211-L269 HydrophobicContact CG2-CD2 3.8Å; V211-L269 HydrophobicContact CG2-CG 3.79Å; A265-L269 WeakPolarHBondContact O-CG 3.43Å; A265-L269 PolarHBondContact O-N 3.41Å; M267-L269 PolarHBondContact O-N 3.49Å; L269-K271 VanDerWaalsContact C-N 3.34Å |
| 270 | A | 93.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 2.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S126 Y142 A266 M267 E268 H272 | S126-A270 VanDerWaalsContact CB-O 3.24Å; S126-A270 WeakPolarHBondContact CB-O 3.41Å; Y142-A270 HydrophobicContact CD2-CB 4.01Å; Y142-A270 HydrophobicContact CE2-CB 3.88Å; A266-A270 PolarHBondContact O-N 3.47Å; M267-A270 CarbonylContact O-C 3.47Å; M267-A270 PolarHBondContact O-N 3.3Å; M267-A270 VanDerWaalsContact O-N 3.13Å; E268-A270 PolarHBondContact O-N 3.33Å; A270-H272 VanDerWaalsContact C-N 3.28Å; A270-H272 PolarHBondContact O-N 3.04Å |
| 271 | K | 93.6 | Very high | 97.2 | Very high | 104 Ų | 104 | 36.3 Ų | 36.3 | 45% | 0.452 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 38.5 | -179.1 | -53 | -178.6 | 179.8 | 177.3 | 0 | 113.2 | S126 M267 E268 L269 | S126-K271 WeakPolarHBondContact CB-O 3.45Å; S126-K271 PolarHBondContact OG-O 2.94Å; M267-K271 PolarHBondContact O-N 2.82Å; M267-K271 VanDerWaalsContact O-N 3.08Å; E268-K271 PolarHBondContact O-N 3.32Å; L269-K271 VanDerWaalsContact C-N 3.34Å |
| 272 | H | 94.7 | Very high | 97.2 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | trans | -74.1 | 154.1 | 165.9 | -74.9 | -71.1 | 0 | 0 | 0 | 110.2 | G124 M267 A270 V276 Q277 | G124-H272 PolarHBondContact O-CE1 2.99Å; G124-H272 PolarHBondContact O-NE2 3.24Å; M267-H272 HydrophobicContact CB-CB 4.18Å; M267-H272 PolarHBondContact O-N 3.44Å; M267-H272 VanDerWaalsContact O-N 3.08Å; A270-H272 VanDerWaalsContact C-N 3.28Å; A270-H272 PolarHBondContact O-N 3.04Å; H272-V276 HydrophobicContact CB-CB 3.97Å; H272-V276 HydrophobicContact CB-CG1 3.84Å; H272-Q277 PolarHBondContact O-NE2 3.32Å | ||
| 273 | D | 95 | Very high | 97.2 | Very high | 87 Ų | 87 | 37.3 Ų | 37.3 | 47% | 0.465 | 19% | 0.194 | S | C | . | . | trans | -67.2 | 170.7 | 179.3 | 62 | 59.3 | 0 | 0 | 0 | 112.9 | E275 V276 Q277 | D273-E275 PolarHBondContact O-N 3.05Å; D273-E275 WeakPolarHBondContact OD1-CA 3.45Å; D273-E275 WeakPolarHBondContact OD1-CB 3.11Å; D273-E275 PolarHBondContact OD1-N 2.97Å; D273-V276 PolarHBondContact O-N 3.49Å; D273-V276 PolarHBondContact OD1-N 3.11Å; D273-Q277 VanDerWaalsContact O-CG 3.27Å; D273-Q277 WeakPolarHBondContact O-CG 3.4Å; D273-Q277 PolarHBondContact O-N 2.62Å | ||
| 274 | A | 96.4 | Very high | 97.2 | Very high | 79 Ų | 79 | 37.3 Ų | 37.3 | 65% | 0.653 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -62.3 | -27.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D278 | A274-D278 PolarHBondContact O-N 3.27Å |
| 275 | E | 96.7 | Very high | 97.2 | Very high | 144 Ų | 144 | 38.4 Ų | 38.4 | 67% | 0.673 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -72.2 | -48.4 | 179.8 | -173.6 | 179.1 | 174 | 0 | 0 | 110.2 | D273 Q277 D278 M279 | D273-E275 PolarHBondContact O-N 3.05Å; D273-E275 WeakPolarHBondContact OD1-CA 3.45Å; D273-E275 WeakPolarHBondContact OD1-CB 3.11Å; D273-E275 PolarHBondContact OD1-N 2.97Å; E275-Q277 VanDerWaalsContact C-N 3.29Å; E275-Q277 PolarHBondContact O-N 3.13Å; E275-D278 PolarHBondContact O-N 2.99Å; E275-M279 WeakPolarHBondContact O-CG 3.37Å; E275-M279 PolarHBondContact O-N 2.68Å |
| 276 | V | 96.8 | Very high | 97.2 | Very high | 29 Ų | 29 | 39.3 Ų | 39.3 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -37.3 | 175.4 | 178 | 0 | 0 | 0 | 0 | 111.2 | M267 H272 D273 M279 A280 F379 | M267-V276 HydrophobicContact CG-CG1 4.17Å; M267-V276 HydrophobicContact SD-CG1 3.79Å; H272-V276 HydrophobicContact CB-CB 3.97Å; H272-V276 HydrophobicContact CB-CG1 3.84Å; D273-V276 PolarHBondContact O-N 3.49Å; D273-V276 PolarHBondContact OD1-N 3.11Å; V276-M279 PolarHBondContact O-N 3.49Å; V276-A280 PolarHBondContact O-N 3.41Å; V276-F379 HydrophobicContact CG1-CE1 3.96Å; V276-F379 HydrophobicContact CG1-CZ 4.36Å |
| 277 | Q | 98.3 | Very high | 97.2 | Very high | 25 Ų | 25 | 39.5 Ų | 39.5 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 173.2 | -71.8 | -174.5 | 37.2 | 0 | 0 | 112.3 | Q264 M267 E268 H272 D273 E275 A280 F281 | Q264-Q277 HydrophobicContact CG-CB 4.12Å; M267-Q277 HydrophobicContact CB-CB 4.31Å; M267-Q277 HydrophobicContact CB-CG 3.64Å; E268-Q277 PolarHBondContact OE2-NE2 2.9Å; E268-Q277 PolarHBondContact OE2-OE1 3.32Å; H272-Q277 PolarHBondContact O-NE2 3.32Å; D273-Q277 VanDerWaalsContact O-CG 3.27Å; D273-Q277 WeakPolarHBondContact O-CG 3.4Å; D273-Q277 PolarHBondContact O-N 2.62Å; E275-Q277 VanDerWaalsContact C-N 3.29Å; E275-Q277 PolarHBondContact O-N 3.13Å; Q277-A280 PolarHBondContact O-N 3.16Å; Q277-F281 PolarHBondContact O-N 2.67Å |
| 278 | D | 98.6 | Very high | 97.1 | Very high | 73 Ų | 73 | 40 Ų | 40 | 39% | 0.39 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 177 | -176.1 | 62.1 | 0 | 0 | 0 | 111.5 | A274 E275 A280 F281 Q282 | A274-D278 PolarHBondContact O-N 3.27Å; E275-D278 PolarHBondContact O-N 2.99Å; D278-A280 VanDerWaalsContact C-N 3.31Å; D278-A280 PolarHBondContact O-N 3.29Å; D278-F281 CarbonylContact O-C 3.57Å; D278-F281 WeakPolarHBondContact O-CA 3.49Å; D278-F281 VanDerWaalsContact O-CB 3.29Å; D278-F281 WeakPolarHBondContact O-CB 3.5Å; D278-F281 PolarHBondContact O-N 3.41Å; D278-Q282 WeakPolarHBondContact O-CG 3.44Å; D278-Q282 PolarHBondContact O-N 3.24Å; D278-Q282 PolarHBondContact OD1-NE2 3.46Å |
| 279 | M | 98.6 | Very high | 97.1 | Very high | 40 Ų | 40 | 38 Ų | 38 | 20% | 0.197 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.8 | -37.4 | 177.6 | -65.5 | -57.3 | -86.2 | 0 | 0 | 112.3 | E275 V276 Q282 Y283 A375 S378 F379 | E275-M279 WeakPolarHBondContact O-CG 3.37Å; E275-M279 PolarHBondContact O-N 2.68Å; V276-M279 PolarHBondContact O-N 3.49Å; M279-Q282 PolarHBondContact O-N 3.09Å; M279-Y283 PolarHBondContact O-N 3.45Å; M279-A375 HydrophobicContact CE-CB 4.38Å; M279-S378 WeakPolarHBondContact CE-OG 3.22Å; M279-F379 HydrophobicContact CB-CE2 4.06Å; M279-F379 HydrophobicContact CB-CZ 4.38Å |
| 280 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.5 | -40 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I119 C263 M267 V276 Q277 D278 Y283 G284 F379 | I119-A280 HydrophobicContact CG1-CB 4.19Å; C263-A280 HydrophobicContact CB-CB 4.13Å; C263-A280 WeakPolarHBondContact CB-O 3.41Å; C263-A280 WeakPolarHBondContact O-CB 3.18Å; M267-A280 HydrophobicContact CG-CB 3.42Å; M267-A280 VanDerWaalsContact CG-CB 3.42Å; M267-A280 HydrophobicContact SD-CB 4.46Å; V276-A280 PolarHBondContact O-N 3.41Å; Q277-A280 PolarHBondContact O-N 3.16Å; D278-A280 VanDerWaalsContact C-N 3.31Å; D278-A280 PolarHBondContact O-N 3.29Å; A280-Y283 PolarHBondContact O-N 3.36Å; A280-G284 PolarHBondContact O-N 3.36Å; A280-G284 VanDerWaalsContact O-N 3.07Å; A280-F379 HydrophobicContact CB-CZ 4Å |
| 281 | F | 98.8 | Very high | 97.2 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 14% | 0.136 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 173.1 | 176.2 | -89.7 | 0 | 0 | 0 | 111.5 | F252 A260 K261 Q264 Q277 D278 Y283 G284 K285 | F252-F281 HydrophobicContact CE2-CZ 4.3Å; F252-F281 HydrophobicContact CZ-CE2 4.31Å; F252-F281 AromaticContact CZ-CZ 3.79Å; F252-F281 HydrophobicContact CZ-CZ 3.79Å; A260-F281 HydrophobicContact CB-CD2 3.64Å; A260-F281 HydrophobicContact CB-CE2 3.58Å; A260-F281 HydrophobicContact CB-CG 4.22Å; A260-F281 HydrophobicContact CB-CZ 4.12Å; K261-F281 HydrophobicContact CG-CD2 4.32Å; K261-F281 HydrophobicContact CG-CE2 3.97Å; Q264-F281 HydrophobicContact CB-CB 4.08Å; Q264-F281 HydrophobicContact CG-CB 4.41Å; Q277-F281 PolarHBondContact O-N 2.67Å; D278-F281 CarbonylContact O-C 3.57Å; D278-F281 WeakPolarHBondContact O-CA 3.49Å; D278-F281 VanDerWaalsContact O-CB 3.29Å; D278-F281 WeakPolarHBondContact O-CB 3.5Å; D278-F281 PolarHBondContact O-N 3.41Å; F281-Y283 PolarHBondContact O-N 2.97Å; F281-G284 PolarHBondContact O-N 2.89Å; F281-K285 HydrophobicContact CE1-CB 4.46Å; F281-K285 HydrophobicContact CE1-CD 3.93Å; F281-K285 HydrophobicContact CZ-CD 4.48Å; F281-K285 WeakPolarHBondContact O-CB 3.4Å; F281-K285 PolarHBondContact O-N 3.19Å |
| 282 | Q | 98.8 | Very high | 97.2 | Very high | 46 Ų | 46 | 36.1 Ų | 36.1 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 179.7 | -63.2 | -49.6 | -32.4 | 0 | 0 | 111.1 | D278 M279 K285 H286 A375 | D278-Q282 WeakPolarHBondContact O-CG 3.44Å; D278-Q282 PolarHBondContact O-N 3.24Å; D278-Q282 PolarHBondContact OD1-NE2 3.46Å; M279-Q282 PolarHBondContact O-N 3.09Å; Q282-K285 PolarHBondContact O-N 3.37Å; Q282-H286 WeakPolarHBondContact O-CB 3.41Å; Q282-H286 PolarHBondContact O-CD2 3.12Å; Q282-H286 VanDerWaalsContact O-CD2 3.26Å; Q282-H286 PolarHBondContact O-N 3.43Å; Q282-A375 HydrophobicContact CB-CB 4.03Å |
| 283 | Y | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.7 | -54.7 | 174.4 | 175.1 | -96.8 | 0 | 0 | 0 | 111.4 | V115 I119 M279 A280 F281 K285 H286 M287 A372 L376 L388 V392 | V115-Y283 HydrophobicContact CG1-CD1 4.28Å; V115-Y283 HydrophobicContact CG1-CE1 3.64Å; I119-Y283 HydrophobicContact CD1-CD1 4.19Å; I119-Y283 HydrophobicContact CD1-CG 4.38Å; M279-Y283 PolarHBondContact O-N 3.45Å; A280-Y283 PolarHBondContact O-N 3.36Å; F281-Y283 PolarHBondContact O-N 2.97Å; Y283-K285 VanDerWaalsContact C-N 3.34Å; Y283-K285 PolarHBondContact O-N 3.49Å; Y283-H286 PolarHBondContact O-N 3.33Å; Y283-M287 HydrophobicContact CE1-CB 4.3Å; Y283-M287 HydrophobicContact CE1-CG 4.49Å; Y283-M287 HydrophobicContact CE2-CB 4.5Å; Y283-M287 WeakPolarHBondContact O-CB 3.32Å; Y283-M287 PolarHBondContact O-N 3.36Å; Y283-A372 HydrophobicContact CD2-CB 3.97Å; Y283-A372 WeakPolarHBondContact CD2-O 3.16Å; Y283-A372 HydrophobicContact CE2-CB 4.13Å; Y283-L376 HydrophobicContact CD2-CD1 3.96Å; Y283-L376 HydrophobicContact CD2-CD2 3.48Å; Y283-L376 VanDerWaalsContact CD2-CD2 3.48Å; Y283-L376 HydrophobicContact CD2-CG 3.51Å; Y283-L376 HydrophobicContact CE2-CD1 3.61Å; Y283-L376 HydrophobicContact CE2-CD2 3.78Å; Y283-L376 HydrophobicContact CE2-CG 3.73Å; Y283-L376 HydrophobicContact CG-CD2 3.91Å; Y283-L376 HydrophobicContact CG-CG 4.39Å; Y283-L388 HydrophobicContact CE1-CD2 3.69Å; Y283-L388 HydrophobicContact CE2-CB 4.21Å; Y283-L388 WeakPolarHBondContact OH-CB 3.18Å; Y283-L388 VanDerWaalsContact OH-CD2 3.28Å; Y283-L388 WeakPolarHBondContact OH-CD2 3.44Å; Y283-L388 PolarHBondContact OH-O 2.96Å; Y283-V392 HydrophobicContact CE2-CG2 3.93Å |
| 284 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A280 F281 A288 | A280-G284 PolarHBondContact O-N 3.36Å; A280-G284 VanDerWaalsContact O-N 3.07Å; F281-G284 PolarHBondContact O-N 2.89Å; G284-A288 VanDerWaalsContact O-CB 3.28Å; G284-A288 WeakPolarHBondContact O-CB 3.28Å; G284-A288 PolarHBondContact O-N 3.21Å |
| 285 | K | 98.6 | Very high | 96.9 | Very high | 65 Ų | 65 | 31.4 Ų | 31.4 | 28% | 0.283 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.2 | -54.7 | 175.3 | 171.5 | 177.3 | 177.5 | -174.5 | 0 | 111.4 | F252 A260 F281 Q282 Y283 A288 M289 | F252-K285 HydrophobicContact CD2-CD 4.27Å; F252-K285 HydrophobicContact CD2-CG 3.81Å; F252-K285 HydrophobicContact CE2-CB 4.05Å; F252-K285 HydrophobicContact CE2-CD 3.98Å; F252-K285 HydrophobicContact CE2-CG 3.7Å; A260-K285 HydrophobicContact CB-CB 3.86Å; F281-K285 HydrophobicContact CE1-CB 4.46Å; F281-K285 HydrophobicContact CE1-CD 3.93Å; F281-K285 HydrophobicContact CZ-CD 4.48Å; F281-K285 WeakPolarHBondContact O-CB 3.4Å; F281-K285 PolarHBondContact O-N 3.19Å; Q282-K285 PolarHBondContact O-N 3.37Å; Y283-K285 VanDerWaalsContact C-N 3.34Å; Y283-K285 PolarHBondContact O-N 3.49Å; K285-A288 PolarHBondContact O-N 2.88Å; K285-M289 WeakPolarHBondContact O-CB 3.4Å; K285-M289 VanDerWaalsContact O-CG 3.24Å; K285-M289 WeakPolarHBondContact O-CG 2.91Å; K285-M289 PolarHBondContact O-N 3.21Å |
| 286 | H | 98.7 | Very high | 96.7 | Very high | 19 Ų | 19 | 25.1 Ų | 25.1 | 9% | 0.088 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72 | -37.3 | -173.4 | -81.9 | -76.6 | 0 | 0 | 0 | 112.3 | Q282 Y283 S290 H368 K371 A372 | Q282-H286 WeakPolarHBondContact O-CB 3.41Å; Q282-H286 PolarHBondContact O-CD2 3.12Å; Q282-H286 VanDerWaalsContact O-CD2 3.26Å; Q282-H286 PolarHBondContact O-N 3.43Å; Y283-H286 PolarHBondContact O-N 3.33Å; H286-S290 WeakPolarHBondContact O-CB 3.46Å; H286-S290 PolarHBondContact O-N 2.79Å; H286-H368 WeakPolarHBondContact CB-O 3.39Å; H286-H368 AromaticContact CE1-ND1 3.67Å; H286-H368 AromaticContact ND1-CE1 3.85Å; H286-H368 AromaticContact ND1-CG 3.87Å; H286-H368 AromaticContact ND1-ND1 3.01Å; H286-H368 PolarHBondContact ND1-ND1 3.08Å; H286-K371 HydrophobicContact CB-CB 4.16Å; H286-K371 VanDerWaalsContact ND1-CB 3.28Å; H286-K371 WeakPolarHBondContact ND1-CB 3.35Å; H286-A372 HydrophobicContact CB-CB 3.87Å |
| 287 | M | 97.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.02 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59 | -53.4 | 171.6 | -171 | -65.2 | 165.2 | 0 | 0 | 110.5 | L111 L259 Y283 M289 S290 H291 A372 I391 V392 V395 | L111-M287 HydrophobicContact CD1-CE 4.46Å; L111-M287 HydrophobicContact CD2-CE 3.68Å; L111-M287 HydrophobicContact CD2-SD 4.49Å; L111-M287 HydrophobicContact CG-CE 4.34Å; L259-M287 HydrophobicContact CD2-SD 4.2Å; Y283-M287 HydrophobicContact CE1-CB 4.3Å; Y283-M287 HydrophobicContact CE1-CG 4.49Å; Y283-M287 HydrophobicContact CE2-CB 4.5Å; Y283-M287 WeakPolarHBondContact O-CB 3.32Å; Y283-M287 PolarHBondContact O-N 3.36Å; M287-M289 VanDerWaalsContact C-N 3.33Å; M287-M289 PolarHBondContact O-N 2.93Å; M287-S290 WeakPolarHBondContact O-CB 3.46Å; M287-S290 PolarHBondContact O-N 3.28Å; M287-S290 VanDerWaalsContact O-N 3.12Å; M287-H291 HydrophobicContact CE-CB 4.1Å; M287-H291 PolarHBondContact O-N 2.88Å; M287-H291 HydrophobicContact SD-CB 4.08Å; M287-A372 HydrophobicContact CB-CB 4.49Å; M287-I391 HydrophobicContact CE-CG2 3.4Å; M287-I391 VanDerWaalsContact CE-CG2 3.4Å; M287-V392 HydrophobicContact CG-CG2 4.48Å; M287-V395 HydrophobicContact CE-CG2 3.86Å |
| 288 | A | 96.3 | Very high | 96.1 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 8% | 0.083 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L259 G284 K285 H291 K292 | L259-A288 HydrophobicContact CB-CB 4.3Å; L259-A288 HydrophobicContact CD2-CB 4.05Å; G284-A288 VanDerWaalsContact O-CB 3.28Å; G284-A288 WeakPolarHBondContact O-CB 3.28Å; G284-A288 PolarHBondContact O-N 3.21Å; K285-A288 PolarHBondContact O-N 2.88Å; A288-H291 PolarHBondContact O-N 2.75Å; A288-K292 WeakPolarHBondContact O-CB 3.22Å; A288-K292 PolarHBondContact O-N 2.99Å |
| 289 | M | 97.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.02 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.4 | -48.7 | 173.5 | -71.7 | -63 | -67.8 | 0 | 0 | 111.1 | W247 K248 T251 F252 K285 M287 H291 K292 I293 H368 | W247-M289 HydrophobicContact CH2-CE 4.49Å; W247-M289 HydrophobicContact CZ3-CE 4.04Å; K248-M289 HydrophobicContact CB-CE 4.3Å; K248-M289 HydrophobicContact CG-CE 4.29Å; T251-M289 HydrophobicContact CG2-CE 4.12Å; T251-M289 HydrophobicContact CG2-SD 3.83Å; F252-M289 HydrophobicContact CB-SD 4.12Å; K285-M289 WeakPolarHBondContact O-CB 3.4Å; K285-M289 VanDerWaalsContact O-CG 3.24Å; K285-M289 WeakPolarHBondContact O-CG 2.91Å; K285-M289 PolarHBondContact O-N 3.21Å; M287-M289 VanDerWaalsContact C-N 3.33Å; M287-M289 PolarHBondContact O-N 2.93Å; M289-H291 VanDerWaalsContact C-N 3.34Å; M289-H291 PolarHBondContact O-N 3.29Å; M289-K292 PolarHBondContact O-N 3.11Å; M289-I293 WeakPolarHBondContact O-CD1 3.41Å; M289-I293 WeakPolarHBondContact O-CG1 3.17Å; M289-I293 PolarHBondContact O-N 2.98Å; M289-H368 HydrophobicContact CB-CB 4.28Å; M289-H368 WeakPolarHBondContact CB-ND1 3.31Å |
| 290 | S | 96.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 177.7 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | H286 M287 K292 I293 N294 C365 V395 | H286-S290 WeakPolarHBondContact O-CB 3.46Å; H286-S290 PolarHBondContact O-N 2.79Å; M287-S290 WeakPolarHBondContact O-CB 3.46Å; M287-S290 PolarHBondContact O-N 3.28Å; M287-S290 VanDerWaalsContact O-N 3.12Å; S290-K292 PolarHBondContact O-N 3.38Å; S290-I293 PolarHBondContact O-N 2.77Å; S290-N294 WeakPolarHBondContact O-CB 3.06Å; S290-N294 PolarHBondContact O-N 3.34Å; S290-C365 PolarHBondContact O-SG 3.47Å; S290-C365 VanDerWaalsContact O-SG 3.41Å; S290-C365 PolarHBondContact OG-O 3.33Å; S290-C365 VanDerWaalsContact OG-O 3.12Å; S290-C365 PolarHBondContact OG-SG 3.04Å; S290-V395 WeakPolarHBondContact OG-CG1 3.35Å |
| 291 | H | 93.6 | Very high | 94.6 | Very high | 49 Ų | 49 | 22 Ų | 22 | 23% | 0.227 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 178.2 | -178.5 | -89.9 | 0 | 0 | 0 | 112.3 | M287 A288 M289 N294 S295 V395 | M287-H291 HydrophobicContact CE-CB 4.1Å; M287-H291 PolarHBondContact O-N 2.88Å; M287-H291 HydrophobicContact SD-CB 4.08Å; A288-H291 PolarHBondContact O-N 2.75Å; M289-H291 VanDerWaalsContact C-N 3.34Å; M289-H291 PolarHBondContact O-N 3.29Å; H291-N294 PolarHBondContact O-N 3.26Å; H291-S295 PolarHBondContact O-N 2.83Å; H291-V395 HydrophobicContact CB-CG1 4.34Å; H291-V395 HydrophobicContact CB-CG2 4.46Å |
| 292 | K | 93.9 | Very high | 93.6 | Very high | 31 Ų | 31 | 25.6 Ų | 25.6 | 14% | 0.135 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 176.5 | 178.1 | 49 | 178.6 | 152.7 | 0 | 111.7 | T251 H255 A288 M289 S290 N294 S295 D296 | T251-K292 HydrophobicContact CG2-CB 4.23Å; T251-K292 HydrophobicContact CG2-CG 3.53Å; H255-K292 HydrophobicContact CB-CB 4.46Å; H255-K292 HydrophobicContact CB-CG 4.4Å; A288-K292 WeakPolarHBondContact O-CB 3.22Å; A288-K292 PolarHBondContact O-N 2.99Å; M289-K292 PolarHBondContact O-N 3.11Å; S290-K292 PolarHBondContact O-N 3.38Å; K292-N294 PolarHBondContact O-N 2.81Å; K292-S295 WeakPolarHBondContact O-CB 3.35Å; K292-S295 PolarHBondContact O-N 3.45Å; K292-D296 IonicContact NZ-OD1 3.16Å; K292-D296 PolarHBondContact NZ-OD1 3.36Å; K292-D296 IonicContact NZ-OD2 3.13Å; K292-D296 PolarHBondContact O-N 2.7Å |
| 293 | I | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 176.8 | -59.7 | 156.2 | 0 | 0 | 0 | 110.8 | W247 M289 S290 S295 D296 V297 A316 A361 L364 C365 | W247-I293 HydrophobicContact CH2-CD1 4.39Å; W247-I293 HydrophobicContact CH2-CG1 3.57Å; W247-I293 HydrophobicContact CZ3-CG1 4.14Å; M289-I293 WeakPolarHBondContact O-CD1 3.41Å; M289-I293 WeakPolarHBondContact O-CG1 3.17Å; M289-I293 PolarHBondContact O-N 2.98Å; S290-I293 PolarHBondContact O-N 2.77Å; I293-S295 VanDerWaalsContact C-N 3.31Å; I293-S295 PolarHBondContact O-N 3.33Å; I293-D296 WeakPolarHBondContact O-CB 3.05Å; I293-D296 PolarHBondContact O-N 3.25Å; I293-V297 HydrophobicContact CG2-CG2 4.31Å; I293-V297 VanDerWaalsContact O-CG2 3.32Å; I293-V297 WeakPolarHBondContact O-CG2 3.34Å; I293-V297 PolarHBondContact O-N 3.09Å; I293-A316 HydrophobicContact CG2-CB 4.23Å; I293-A361 HydrophobicContact CG2-CB 4.34Å; I293-A361 WeakPolarHBondContact CG2-O 3.42Å; I293-L364 HydrophobicContact CD1-CD2 4.07Å; I293-L364 HydrophobicContact CD1-CG 3.81Å; I293-C365 HydrophobicContact CB-CB 3.98Å; I293-C365 HydrophobicContact CG2-CB 3.66Å |
| 294 | N | 93.3 | Very high | 89.9 | Confident | 24 Ų | 24 | 42.5 Ų | 42.5 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.3 | -48.2 | 174.8 | 178.3 | -79.1 | 0 | 0 | 0 | 111 | S290 H291 K292 D296 V297 Q298 V395 F398 | S290-N294 WeakPolarHBondContact O-CB 3.06Å; S290-N294 PolarHBondContact O-N 3.34Å; H291-N294 PolarHBondContact O-N 3.26Å; K292-N294 PolarHBondContact O-N 2.81Å; N294-D296 VanDerWaalsContact C-N 3.3Å; N294-D296 PolarHBondContact O-N 3.28Å; N294-V297 PolarHBondContact O-N 2.81Å; N294-V297 VanDerWaalsContact O-N 3.14Å; N294-Q298 WeakPolarHBondContact O-CG 3.07Å; N294-Q298 PolarHBondContact O-N 3.47Å; N294-Q298 VanDerWaalsContact O-N 3.16Å; N294-Q298 PolarHBondContact OD1-NE2 3.42Å; N294-V395 HydrophobicContact CB-CG1 3.81Å; N294-V395 PolarHBondContact ND2-O 3.01Å; N294-F398 WeakPolarHBondContact ND2-CE1 3.29Å |
| 295 | S | 90.2 | Very high | 88.1 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 45% | 0.448 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.5 | -42.8 | 177.2 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | H291 K292 I293 V297 Q298 | H291-S295 PolarHBondContact O-N 2.83Å; K292-S295 WeakPolarHBondContact O-CB 3.35Å; K292-S295 PolarHBondContact O-N 3.45Å; I293-S295 VanDerWaalsContact C-N 3.31Å; I293-S295 PolarHBondContact O-N 3.33Å; S295-V297 VanDerWaalsContact C-N 3.32Å; S295-V297 PolarHBondContact O-N 3.42Å; S295-Q298 PolarHBondContact O-N 3.12Å |
| 296 | D | 92.3 | Very high | 86.3 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -30.1 | 177.6 | -79.6 | -0.2 | 0 | 0 | 0 | 113.4 | K292 I293 N294 P299 F300 S315 A316 | K292-D296 IonicContact NZ-OD1 3.16Å; K292-D296 PolarHBondContact NZ-OD1 3.36Å; K292-D296 IonicContact NZ-OD2 3.13Å; K292-D296 PolarHBondContact O-N 2.7Å; I293-D296 WeakPolarHBondContact O-CB 3.05Å; I293-D296 PolarHBondContact O-N 3.25Å; N294-D296 VanDerWaalsContact C-N 3.3Å; N294-D296 PolarHBondContact O-N 3.28Å; D296-P299 VanDerWaalsContact O-CD 3.29Å; D296-P299 WeakPolarHBondContact O-CD 3.16Å; D296-F300 WeakPolarHBondContact O-CD2 3.06Å; D296-F300 WeakPolarHBondContact O-CE2 3.48Å; D296-S315 WeakPolarHBondContact OD2-CA 3.31Å; D296-A316 PolarHBondContact OD2-N 3.17Å |
| 297 | V | 93.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -78.2 | -29.5 | 178 | 169.9 | 0 | 0 | 0 | 0 | 112.2 | I293 N294 S295 P299 F300 I301 P317 V358 A361 I362 F398 | I293-V297 HydrophobicContact CG2-CG2 4.31Å; I293-V297 VanDerWaalsContact O-CG2 3.32Å; I293-V297 WeakPolarHBondContact O-CG2 3.34Å; I293-V297 PolarHBondContact O-N 3.09Å; N294-V297 PolarHBondContact O-N 2.81Å; N294-V297 VanDerWaalsContact O-N 3.14Å; S295-V297 VanDerWaalsContact C-N 3.32Å; S295-V297 PolarHBondContact O-N 3.42Å; V297-P299 VanDerWaalsContact O-N 3.16Å; V297-F300 WeakPolarHBondContact O-CB 3.49Å; V297-F300 PolarHBondContact O-N 2.93Å; V297-I301 HydrophobicContact CG1-CD1 3.92Å; V297-I301 HydrophobicContact CG1-CG1 4.16Å; V297-I301 HydrophobicContact CG1-CG2 3.7Å; V297-P317 HydrophobicContact CG2-CG 3.92Å; V297-V358 HydrophobicContact CG1-CG1 4.46Å; V297-A361 HydrophobicContact CG2-CB 3.74Å; V297-I362 HydrophobicContact CG1-CD1 4.21Å; V297-I362 HydrophobicContact CG1-CG1 3.84Å; V297-I362 HydrophobicContact CG2-CG1 4.31Å; V297-F398 HydrophobicContact CB-CE1 4.11Å; V297-F398 HydrophobicContact CG1-CD1 4.09Å; V297-F398 HydrophobicContact CG1-CE1 3.81Å |
| 298 | Q | 89.5 | Confident | 83 | Confident | 37 Ų | 37 | 53.5 Ų | 53.5 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -50.6 | -40.5 | -174.7 | -69 | -55.2 | -46.3 | 0 | 0 | 115.6 | N294 S295 F300 I301 K302 | N294-Q298 WeakPolarHBondContact O-CG 3.07Å; N294-Q298 PolarHBondContact O-N 3.47Å; N294-Q298 VanDerWaalsContact O-N 3.16Å; N294-Q298 PolarHBondContact OD1-NE2 3.42Å; S295-Q298 PolarHBondContact O-N 3.12Å; Q298-F300 PolarHBondContact O-N 2.93Å; Q298-F300 VanDerWaalsContact O-N 3.17Å; Q298-I301 PolarHBondContact O-N 3.04Å; Q298-K302 WeakPolarHBondContact O-CG 3.44Å; Q298-K302 PolarHBondContact O-N 2.87Å |
| 299 | P | 88.8 | Confident | 82.1 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 8% | 0.078 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -16.9 | 177.9 | -20.6 | 33.2 | 0 | 0 | 0 | 114.4 | D296 V297 M309 F311 R349 | D296-P299 VanDerWaalsContact O-CD 3.29Å; D296-P299 WeakPolarHBondContact O-CD 3.16Å; V297-P299 VanDerWaalsContact O-N 3.16Å; P299-M309 HydrophobicContact CB-CE 4.06Å; P299-M309 HydrophobicContact CG-CE 3.95Å; P299-F311 HydrophobicContact CB-CB 4.05Å; P299-F311 HydrophobicContact CG-CB 4.09Å; P299-R349 WeakPolarHBondContact O-CD 3.26Å; P299-R349 PolarHBondContact O-NE 2.93Å |
| 300 | F | 90.2 | Very high | 81.4 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -101.1 | -21.3 | -174.6 | -58.6 | -87.8 | 0 | 0 | 0 | 113.5 | D296 V297 Q298 F311 P317 V318 R349 I352 K353 V358 | D296-F300 WeakPolarHBondContact O-CD2 3.06Å; D296-F300 WeakPolarHBondContact O-CE2 3.48Å; V297-F300 WeakPolarHBondContact O-CB 3.49Å; V297-F300 PolarHBondContact O-N 2.93Å; Q298-F300 PolarHBondContact O-N 2.93Å; Q298-F300 VanDerWaalsContact O-N 3.17Å; F300-F311 HydrophobicContact CE1-CE1 4.35Å; F300-F311 HydrophobicContact CE1-CE2 4.39Å; F300-F311 HydrophobicContact CE1-CZ 4.27Å; F300-F311 HydrophobicContact CZ-CD1 4.27Å; F300-F311 AromaticContact CZ-CD2 3.78Å; F300-F311 HydrophobicContact CZ-CD2 3.78Å; F300-F311 HydrophobicContact CZ-CE1 4.39Å; F300-F311 AromaticContact CZ-CE2 3.93Å; F300-F311 HydrophobicContact CZ-CE2 3.93Å; F300-F311 AromaticContact CZ-CG 3.96Å; F300-F311 HydrophobicContact CZ-CG 3.96Å; F300-F311 HydrophobicContact CZ-CZ 4.23Å; F300-P317 HydrophobicContact CD2-CB 4.05Å; F300-P317 HydrophobicContact CD2-CG 3.93Å; F300-P317 HydrophobicContact CE2-CB 3.81Å; F300-P317 HydrophobicContact CE2-CG 3.82Å; F300-P317 HydrophobicContact CZ-CB 4.17Å; F300-V318 HydrophobicContact CZ-CG2 3.97Å; F300-R349 HydrophobicContact CD1-CG 3.71Å; F300-R349 HydrophobicContact CE1-CG 4.07Å; F300-I352 HydrophobicContact CD1-CB 4.43Å; F300-I352 HydrophobicContact CD1-CG2 4.06Å; F300-I352 HydrophobicContact CE1-CB 3.99Å; F300-I352 HydrophobicContact CE1-CD1 3.9Å; F300-I352 HydrophobicContact CE1-CG2 3.7Å; F300-I352 HydrophobicContact CZ-CD1 4.34Å; F300-I352 HydrophobicContact CZ-CG2 4.38Å; F300-K353 HydrophobicContact CB-CG 4.24Å; F300-K353 HydrophobicContact CD1-CG 4.26Å; F300-K353 WeakPolarHBondContact O-CD 3.41Å; F300-V358 HydrophobicContact CB-CG1 4.01Å; F300-V358 HydrophobicContact CB-CG2 3.84Å; F300-V358 HydrophobicContact CD1-CG2 3.99Å; F300-V358 HydrophobicContact CG-CG2 3.95Å |
| 301 | I | 86.8 | Confident | 80.9 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -109.1 | -16.9 | -173 | 61.9 | 168.9 | 0 | 0 | 0 | 114.3 | V297 Q298 E303 V358 I362 F398 | V297-I301 HydrophobicContact CG1-CD1 3.92Å; V297-I301 HydrophobicContact CG1-CG1 4.16Å; V297-I301 HydrophobicContact CG1-CG2 3.7Å; Q298-I301 PolarHBondContact O-N 3.04Å; I301-E303 PolarHBondContact O-N 3.2Å; I301-V358 HydrophobicContact CG2-CG1 4.17Å; I301-I362 HydrophobicContact CG2-CD1 4.39Å; I301-F398 HydrophobicContact CD1-CD1 3.8Å |
| 302 | K | 77.3 | Confident | 80.6 | Confident | 106 Ų | 106 | 62.9 Ų | 62.9 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | trans | -71.3 | 123.6 | -179.4 | -75.9 | 178.1 | -179.6 | 175.2 | 0 | 110.9 | Q298 K304 T305 | Q298-K302 WeakPolarHBondContact O-CG 3.44Å; Q298-K302 PolarHBondContact O-N 2.87Å; K302-K304 PolarHBondContact O-N 3.41Å; K302-T305 WeakPolarHBondContact CB-OG1 3.39Å; K302-T305 PolarHBondContact O-N 2.9Å; K302-T305 PolarHBondContact O-OG1 3.15Å | ||
| 303 | E | 58.6 | Low | 80.3 | Confident | 200 Ų | 200 | 62.2 Ų | 62.2 | 94% | 0.935 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -31.9 | -179.6 | -70.4 | -178.4 | 159.7 | 0 | 0 | 113.8 | I301 | I301-E303 PolarHBondContact O-N 3.2Š|
| 304 | K | 60.4 | Low | 79.9 | Confident | 200 Ų | 200 | 63.5 Ų | 63.5 | 87% | 0.87 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | 56.7 | 178.2 | -65 | -173.5 | -178.8 | -176.1 | 0 | 111.1 | K302 S306 | K302-K304 PolarHBondContact O-N 3.41Å; K304-S306 PolarHBondContact O-N 2.89Å |
| 305 | T | 61.1 | Low | 79.8 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | trans | -83.3 | 113.3 | 172.1 | -45.2 | 0 | 0 | 0 | 0 | 108.2 | K302 M309 | K302-T305 WeakPolarHBondContact CB-OG1 3.39Å; K302-T305 PolarHBondContact O-N 2.9Å; K302-T305 PolarHBondContact O-OG1 3.15Å; T305-M309 HydrophobicContact CG2-CB 3.88Å; T305-M309 HydrophobicContact CG2-CG 4.07Å; T305-M309 HydrophobicContact CG2-SD 3.4Å; T305-M309 WeakPolarHBondContact CG2-SD 3.49Å | ||
| 306 | S | 60.9 | Low | 80 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 47% | 0.469 | 31% | 0.311 | S | S | . | . | trans | -54.5 | 141.3 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | K304 S308 M309 | K304-S306 PolarHBondContact O-N 2.89Å; S306-S308 PolarHBondContact O-N 3.45Å; S306-S308 VanDerWaalsContact O-N 3.1Å; S306-S308 PolarHBondContact OG-N 3.07Å; S306-S308 PolarHBondContact OG-OG 3.08Å; S306-M309 WeakPolarHBondContact O-CB 3.14Å; S306-M309 PolarHBondContact O-N 3.47Å | ||
| 307 | D | 62.6 | Low | 80.2 | Confident | 130 Ų | 130 | 58.9 Ų | 58.9 | 70% | 0.695 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -22.6 | 172.5 | -64.3 | -22.8 | 0 | 0 | 0 | 111.6 | M309 A346 | D307-M309 VanDerWaalsContact C-N 3.33Å; D307-M309 PolarHBondContact O-N 3.27Å; D307-A346 HydrophobicContact CB-CB 4.43Å |
| 308 | S | 64.3 | Low | 80.2 | Confident | 99 Ų | 99 | 58.9 Ų | 58.9 | 69% | 0.692 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -5.8 | 175.9 | 74 | 0 | 0 | 0 | 0 | 114.9 | S306 T310 | S306-S308 PolarHBondContact O-N 3.45Å; S306-S308 VanDerWaalsContact O-N 3.1Å; S306-S308 PolarHBondContact OG-N 3.07Å; S306-S308 PolarHBondContact OG-OG 3.08Å; S308-T310 PolarHBondContact O-N 3.07Å |
| 309 | M | 77.2 | Confident | 80.4 | Confident | 69 Ų | 69 | 57.2 Ų | 57.2 | 34% | 0.34 | 30% | 0.3 | S | S | . | . | trans | -77.8 | 116.9 | -176.2 | -176.6 | 169 | 178.3 | 0 | 0 | 110.6 | P299 T305 S306 D307 R349 | P299-M309 HydrophobicContact CB-CE 4.06Å; P299-M309 HydrophobicContact CG-CE 3.95Å; T305-M309 HydrophobicContact CG2-CB 3.88Å; T305-M309 HydrophobicContact CG2-CG 4.07Å; T305-M309 HydrophobicContact CG2-SD 3.4Å; T305-M309 WeakPolarHBondContact CG2-SD 3.49Å; S306-M309 WeakPolarHBondContact O-CB 3.14Å; S306-M309 PolarHBondContact O-N 3.47Å; D307-M309 VanDerWaalsContact C-N 3.33Å; D307-M309 PolarHBondContact O-N 3.27Å; M309-R349 PolarHBondContact O-NH2 3.29Å | ||
| 310 | T | 83.2 | Confident | 80.7 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | trans | -81.6 | 160.6 | 173.3 | 59.7 | 0 | 0 | 0 | 0 | 110.8 | S308 Y345 | S308-T310 PolarHBondContact O-N 3.07Å; T310-Y345 HydrophobicContact CG2-CD2 3.84Å; T310-Y345 HydrophobicContact CG2-CE2 3.74Å; T310-Y345 HydrophobicContact CG2-CG 4.31Å | ||
| 311 | F | 85.9 | Confident | 80.9 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 7% | 0.066 | 30% | 0.302 | C | S | . | . | trans | -138.3 | 161.8 | 171.4 | 58.2 | -95.9 | 0 | 0 | 0 | 109.9 | P299 F300 L313 V318 Y345 L348 R349 I352 | P299-F311 HydrophobicContact CB-CB 4.05Å; P299-F311 HydrophobicContact CG-CB 4.09Å; F300-F311 HydrophobicContact CE1-CE1 4.35Å; F300-F311 HydrophobicContact CE1-CE2 4.39Å; F300-F311 HydrophobicContact CE1-CZ 4.27Å; F300-F311 HydrophobicContact CZ-CD1 4.27Å; F300-F311 AromaticContact CZ-CD2 3.78Å; F300-F311 HydrophobicContact CZ-CD2 3.78Å; F300-F311 HydrophobicContact CZ-CE1 4.39Å; F300-F311 AromaticContact CZ-CE2 3.93Å; F300-F311 HydrophobicContact CZ-CE2 3.93Å; F300-F311 AromaticContact CZ-CG 3.96Å; F300-F311 HydrophobicContact CZ-CG 3.96Å; F300-F311 HydrophobicContact CZ-CZ 4.23Å; F311-L313 HydrophobicContact CE2-CD2 3.95Å; F311-V318 HydrophobicContact CD2-CG2 3.79Å; F311-V318 HydrophobicContact CE2-CG2 3.54Å; F311-Y345 AromaticContact CD1-CD1 3.72Å; F311-Y345 HydrophobicContact CD1-CD1 3.72Å; F311-Y345 HydrophobicContact CD2-CD1 4.49Å; F311-Y345 AromaticContact CE1-CD1 3.65Å; F311-Y345 HydrophobicContact CE1-CD1 3.65Å; F311-Y345 HydrophobicContact CE1-CG 4.39Å; F311-Y345 HydrophobicContact CE2-CD1 4.42Å; F311-Y345 HydrophobicContact CG-CD1 4.16Å; F311-Y345 HydrophobicContact CZ-CD1 4.03Å; F311-Y345 VanDerWaalsContact O-CE1 3.28Å; F311-Y345 WeakPolarHBondContact O-CE1 3.48Å; F311-L348 HydrophobicContact CE2-CD2 4.27Å; F311-L348 HydrophobicContact CZ-CB 4.25Å; F311-L348 HydrophobicContact CZ-CD2 3.87Å; F311-L348 HydrophobicContact CZ-CG 4.04Å; F311-R349 HydrophobicContact CE1-CB 4.02Å; F311-I352 HydrophobicContact CE2-CD1 3.95Å; F311-I352 HydrophobicContact CZ-CD1 3.83Å | ||
| 312 | N | 86 | Confident | 81.2 | Confident | 86 Ų | 86 | 56 Ų | 56 | 46% | 0.46 | 29% | 0.293 | S | S | . | . | trans | -77 | 127.7 | 178.4 | -170.8 | -21 | 0 | 0 | 0 | 110 | N314 S315 | N312-N314 PolarHBondContact O-N 3.07Å; N312-N314 PolarHBondContact OD1-N 2.83Å; N312-S315 WeakPolarHBondContact O-CB 3.38Å; N312-S315 PolarHBondContact O-N 3.26Å; N312-S315 VanDerWaalsContact O-N 3.11Å; N312-S315 PolarHBondContact O-OG 3.48Å | ||
| 313 | L | 87.6 | Confident | 81.9 | Confident | 18 Ų | 18 | 56 Ų | 56 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.8 | 176.5 | -65.7 | 178 | 0 | 0 | 0 | 112.9 | F311 S315 V318 I334 L343 L348 | F311-L313 HydrophobicContact CE2-CD2 3.95Å; L313-S315 VanDerWaalsContact C-N 3.29Å; L313-S315 PolarHBondContact O-N 3.48Å; L313-V318 VanDerWaalsContact O-CB 3.26Å; L313-V318 WeakPolarHBondContact O-CB 3.46Å; L313-V318 WeakPolarHBondContact O-CG1 3.48Å; L313-I334 HydrophobicContact CD2-CD1 4.49Å; L313-L343 HydrophobicContact CD1-CD2 3.99Å; L313-L343 HydrophobicContact CD2-CD2 4.1Å; L313-L343 HydrophobicContact CG-CD2 4.49Å; L313-L348 HydrophobicContact CD2-CD2 3.68Å |
| 314 | N | 87.7 | Confident | 83.5 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 27.4 | 171.9 | -60 | -12.5 | 0 | 0 | 0 | 111.5 | T232 W247 N312 | T232-N314 PolarHBondContact OG1-ND2 2.81Å; W247-N314 PolarHBondContact NE1-O 3.37Å; N312-N314 PolarHBondContact O-N 3.07Å; N312-N314 PolarHBondContact OD1-N 2.83Å |
| 315 | S | 91.8 | Very high | 85 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -85.1 | 153.4 | 173.7 | 62 | 0 | 0 | 0 | 0 | 111.3 | D296 N312 L313 P317 V318 V319 | D296-S315 WeakPolarHBondContact OD2-CA 3.31Å; N312-S315 WeakPolarHBondContact O-CB 3.38Å; N312-S315 PolarHBondContact O-N 3.26Å; N312-S315 VanDerWaalsContact O-N 3.11Å; N312-S315 PolarHBondContact O-OG 3.48Å; L313-S315 VanDerWaalsContact C-N 3.29Å; L313-S315 PolarHBondContact O-N 3.48Å; S315-P317 VanDerWaalsContact C-CD 3.5Å; S315-V318 PolarHBondContact O-N 2.96Å; S315-V318 VanDerWaalsContact OG-CG2 3.22Å; S315-V318 WeakPolarHBondContact OG-CG2 3.4Å; S315-V319 PolarHBondContact O-N 3.32Å |
| 316 | A | 94.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -50.4 | -46.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | W247 I293 D296 V318 L320 A361 | W247-A316 HydrophobicContact CD2-CB 4.48Å; W247-A316 HydrophobicContact CH2-CB 3.7Å; W247-A316 HydrophobicContact CZ2-CB 3.58Å; W247-A316 HydrophobicContact CZ3-CB 4.14Å; I293-A316 HydrophobicContact CG2-CB 4.23Å; D296-A316 PolarHBondContact OD2-N 3.17Å; A316-V318 VanDerWaalsContact C-N 3.26Å; A316-V318 PolarHBondContact O-N 3.47Å; A316-L320 WeakPolarHBondContact O-CB 3.28Å; A316-L320 WeakPolarHBondContact O-CD1 3.39Å; A316-L320 VanDerWaalsContact O-CG 3.32Å; A316-L320 WeakPolarHBondContact O-CG 3.4Å; A316-L320 PolarHBondContact O-N 2.7Å; A316-A361 HydrophobicContact CB-CB 4.26Å |
| 317 | P | 95.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61 | -34.3 | 178.5 | -23.4 | 34.2 | 0 | 0 | 0 | 113.6 | V297 F300 S315 H321 I352 G357 V358 A361 | V297-P317 HydrophobicContact CG2-CG 3.92Å; F300-P317 HydrophobicContact CD2-CB 4.05Å; F300-P317 HydrophobicContact CD2-CG 3.93Å; F300-P317 HydrophobicContact CE2-CB 3.81Å; F300-P317 HydrophobicContact CE2-CG 3.82Å; F300-P317 HydrophobicContact CZ-CB 4.17Å; S315-P317 VanDerWaalsContact C-CD 3.5Å; P317-H321 VanDerWaalsContact O-CB 3.27Å; P317-H321 WeakPolarHBondContact O-CB 3.38Å; P317-H321 PolarHBondContact O-N 3.17Å; P317-H321 VanDerWaalsContact O-N 3.09Å; P317-I352 HydrophobicContact CB-CG2 4.46Å; P317-G357 WeakPolarHBondContact O-CA 3.38Å; P317-V358 HydrophobicContact CB-CG2 4.36Å; P317-A361 HydrophobicContact CB-CB 4.23Å; P317-A361 HydrophobicContact CG-CB 3.77Å |
| 318 | V | 93.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -77 | -48.2 | -178 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | F300 F311 L313 S315 A316 L320 H321 Q322 W330 I352 | F300-V318 HydrophobicContact CZ-CG2 3.97Å; F311-V318 HydrophobicContact CD2-CG2 3.79Å; F311-V318 HydrophobicContact CE2-CG2 3.54Å; L313-V318 VanDerWaalsContact O-CB 3.26Å; L313-V318 WeakPolarHBondContact O-CB 3.46Å; L313-V318 WeakPolarHBondContact O-CG1 3.48Å; S315-V318 PolarHBondContact O-N 2.96Å; S315-V318 VanDerWaalsContact OG-CG2 3.22Å; S315-V318 WeakPolarHBondContact OG-CG2 3.4Å; A316-V318 VanDerWaalsContact C-N 3.26Å; A316-V318 PolarHBondContact O-N 3.47Å; V318-L320 VanDerWaalsContact C-N 3.33Å; V318-L320 PolarHBondContact O-N 3.47Å; V318-H321 WeakPolarHBondContact O-CB 3.44Å; V318-H321 PolarHBondContact O-N 2.82Å; V318-H321 VanDerWaalsContact O-N 3.13Å; V318-Q322 WeakPolarHBondContact O-CB 3.46Å; V318-Q322 PolarHBondContact O-N 3.36Å; V318-W330 HydrophobicContact CG1-CH2 3.38Å; V318-W330 HydrophobicContact CG1-CZ2 3.61Å; V318-W330 HydrophobicContact CG1-CZ3 4.29Å; V318-I352 HydrophobicContact CG1-CD1 4.44Å; V318-I352 HydrophobicContact CG2-CD1 3.91Å |
| 319 | V | 93.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 177.3 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | I242 I244 W247 S315 H321 Q322 E323 | I242-V319 VanDerWaalsContact O-CG1 3.24Å; I242-V319 WeakPolarHBondContact O-CG1 3.39Å; I244-V319 HydrophobicContact CB-CG1 4.42Å; I244-V319 HydrophobicContact CD1-CG1 4.24Å; W247-V319 HydrophobicContact CB-CG1 4.13Å; W247-V319 HydrophobicContact CB-CG2 4.48Å; W247-V319 HydrophobicContact CG-CG1 4.5Å; W247-V319 HydrophobicContact CG-CG2 4.29Å; S315-V319 PolarHBondContact O-N 3.32Å; V319-H321 PolarHBondContact O-N 2.73Å; V319-Q322 PolarHBondContact O-N 3.33Å; V319-E323 WeakPolarHBondContact O-CB 3.37Å; V319-E323 PolarHBondContact O-N 2.97Å |
| 320 | L | 95.4 | Very high | 90.9 | Very high | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 176.1 | -74.8 | 165.4 | 0 | 0 | 0 | 111.9 | I244 A316 V318 E323 F324 A361 | I244-L320 HydrophobicContact CB-CD2 4.16Å; I244-L320 HydrophobicContact CD1-CD1 4.34Å; I244-L320 HydrophobicContact CD1-CD2 3.88Å; I244-L320 HydrophobicContact CD1-CG 3.83Å; I244-L320 HydrophobicContact CG1-CD2 3.78Å; I244-L320 HydrophobicContact CG1-CG 4.32Å; A316-L320 WeakPolarHBondContact O-CB 3.28Å; A316-L320 WeakPolarHBondContact O-CD1 3.39Å; A316-L320 VanDerWaalsContact O-CG 3.32Å; A316-L320 WeakPolarHBondContact O-CG 3.4Å; A316-L320 PolarHBondContact O-N 2.7Å; V318-L320 VanDerWaalsContact C-N 3.33Å; V318-L320 PolarHBondContact O-N 3.47Å; L320-E323 PolarHBondContact O-N 3.43Å; L320-F324 HydrophobicContact CB-CE2 4.35Å; L320-F324 HydrophobicContact CD2-CE2 4.49Å; L320-F324 WeakPolarHBondContact O-CD2 3.36Å; L320-F324 PolarHBondContact O-N 3.39Å; L320-A361 HydrophobicContact CD1-CB 3.91Å |
| 321 | H | 94.7 | Very high | 91.1 | Very high | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.2 | -178.3 | 76.7 | 0 | 0 | 0 | 111.9 | P317 V318 V319 E323 F324 L325 W330 Q333 I352 | P317-H321 VanDerWaalsContact O-CB 3.27Å; P317-H321 WeakPolarHBondContact O-CB 3.38Å; P317-H321 PolarHBondContact O-N 3.17Å; P317-H321 VanDerWaalsContact O-N 3.09Å; V318-H321 WeakPolarHBondContact O-CB 3.44Å; V318-H321 PolarHBondContact O-N 2.82Å; V318-H321 VanDerWaalsContact O-N 3.13Å; V319-H321 PolarHBondContact O-N 2.73Å; H321-E323 VanDerWaalsContact C-N 3.33Å; H321-E323 PolarHBondContact O-N 3.18Å; H321-F324 PolarHBondContact O-N 2.91Å; H321-L325 WeakPolarHBondContact O-CB 3.47Å; H321-L325 PolarHBondContact O-N 3.21Å; H321-W330 AromaticContact CD2-CZ3 3.93Å; H321-Q333 PolarHBondContact NE2-OE1 2.96Å; H321-I352 HydrophobicContact CB-CG1 4.34Å; H321-I352 HydrophobicContact CB-CG2 4.15Å |
| 322 | Q | 92.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 7% | 0.065 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.3 | -46.1 | 174.8 | 170.9 | 178.1 | -22.1 | 0 | 0 | 111.2 | V318 V319 L325 G326 W330 | V318-Q322 WeakPolarHBondContact O-CB 3.46Å; V318-Q322 PolarHBondContact O-N 3.36Å; V319-Q322 PolarHBondContact O-N 3.33Å; Q322-L325 PolarHBondContact O-N 3.01Å; Q322-G326 PolarHBondContact O-N 3.45Å; Q322-W330 HydrophobicContact CB-CB 4.49Å; Q322-W330 HydrophobicContact CB-CD2 4.11Å; Q322-W330 HydrophobicContact CB-CG 4.05Å; Q322-W330 HydrophobicContact CG-CB 4.11Å; Q322-W330 HydrophobicContact CG-CD2 4.35Å; Q322-W330 HydrophobicContact CG-CG 3.8Å; Q322-W330 VanDerWaalsContact OE1-NE1 3.16Å |
| 323 | E | 92 | Very high | 91.5 | Very high | 104 Ų | 104 | 46 Ų | 46 | 49% | 0.486 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64 | -41.5 | -179.3 | -168.4 | 170.3 | 154.4 | 0 | 0 | 112.3 | I244 V319 L320 H321 | I244-E323 WeakPolarHBondContact CB-OE2 3.41Å; I244-E323 WeakPolarHBondContact CG2-OE2 3.42Å; I244-E323 PolarHBondContact N-OE2 2.88Å; V319-E323 WeakPolarHBondContact O-CB 3.37Å; V319-E323 PolarHBondContact O-N 2.97Å; L320-E323 PolarHBondContact O-N 3.43Å; H321-E323 VanDerWaalsContact C-N 3.33Å; H321-E323 PolarHBondContact O-N 3.18Å |
| 324 | F | 93.2 | Very high | 91.6 | Very high | 117 Ų | 117 | 45.3 Ų | 45.3 | 51% | 0.513 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.6 | -36.8 | 175.5 | -72.8 | -57 | 0 | 0 | 0 | 113.7 | L320 H321 K356 S360 | L320-F324 HydrophobicContact CB-CE2 4.35Å; L320-F324 HydrophobicContact CD2-CE2 4.49Å; L320-F324 WeakPolarHBondContact O-CD2 3.36Å; L320-F324 PolarHBondContact O-N 3.39Å; H321-F324 PolarHBondContact O-N 2.91Å; F324-K356 HydrophobicContact CD2-CB 3.87Å; F324-K356 HydrophobicContact CE2-CB 4.05Å; F324-K356 HydrophobicContact CG-CB 4.41Å; F324-S360 WeakPolarHBondContact CE2-OG 3.31Å |
| 325 | L | 92.3 | Very high | 91.6 | Very high | 47 Ų | 47 | 46 Ų | 46 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -77.6 | -32.9 | -175.9 | -176.7 | 66.6 | 0 | 0 | 0 | 111.8 | H321 Q322 L329 W330 Q333 | H321-L325 WeakPolarHBondContact O-CB 3.47Å; H321-L325 PolarHBondContact O-N 3.21Å; Q322-L325 PolarHBondContact O-N 3.01Å; L325-L329 HydrophobicContact CD1-CB 3.92Å; L325-L329 HydrophobicContact CD1-CD1 3.9Å; L325-L329 HydrophobicContact CD2-CB 3.96Å; L325-L329 HydrophobicContact CG-CB 3.6Å; L325-L329 HydrophobicContact CG-CD1 4.34Å; L325-W330 HydrophobicContact CD2-CB 4.34Å; L325-Q333 HydrophobicContact CD2-CG 4.07Å; L325-Q333 VanDerWaalsContact CD2-OE1 3.24Å |
| 326 | G | 90.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 49.8 Ų | 49.8 | 32% | 0.32 | 25% | 0.254 | S | S | . | . | trans | 87.4 | 149.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q322 D328 L329 W330 | Q322-G326 PolarHBondContact O-N 3.45Å; G326-D328 PolarHBondContact O-N 3.23Å; G326-L329 PolarHBondContact O-N 3.47Å; G326-W330 PolarHBondContact O-N 3.41Å | ||
| 327 | R | 86.1 | Confident | 91.1 | Very high | 107 Ų | 107 | 49.8 Ų | 49.8 | 40% | 0.404 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | -169.3 | -171.6 | 171.2 | -175.8 | 178.2 | -5.3 | 114.3 | T239 D241 L329 W330 I331 | T239-R327 PolarHBondContact O-NH2 3.28Å; D241-R327 VanDerWaalsContact CB-NH1 3.33Å; D241-R327 WeakPolarHBondContact OD2-CD 3.44Å; D241-R327 IonicContact OD2-CZ 2.67Å; D241-R327 IonicContact OD2-NE 2.79Å; D241-R327 IonicContact OD2-NH1 3.33Å; D241-R327 PolarHBondContact OD2-NH1 2.97Å; R327-L329 VanDerWaalsContact C-N 3.34Å; R327-L329 PolarHBondContact O-N 3.37Å; R327-W330 WeakPolarHBondContact O-CB 3.08Å; R327-W330 PolarHBondContact O-N 2.86Å; R327-I331 HydrophobicContact CG-CD1 3.97Å; R327-I331 HydrophobicContact CG-CG1 4.49Å; R327-I331 WeakPolarHBondContact O-CG1 3.45Å; R327-I331 PolarHBondContact O-N 3.09Å |
| 328 | D | 89.4 | Confident | 90.7 | Very high | 138 Ų | 138 | 54 Ų | 54 | 74% | 0.738 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.6 | -42.9 | -176.9 | -64.4 | -26.3 | 0 | 0 | 0 | 112 | G326 K332 | G326-D328 PolarHBondContact O-N 3.23Å; D328-K332 PolarHBondContact O-N 2.94Å; D328-K332 VanDerWaalsContact O-N 3.12Å |
| 329 | L | 91.3 | Very high | 90.1 | Very high | 94 Ų | 94 | 59.6 Ų | 59.6 | 49% | 0.492 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.8 | -35.5 | 177.1 | -73.2 | -179.5 | 0 | 0 | 0 | 111.6 | L325 G326 R327 K332 Q333 | L325-L329 HydrophobicContact CD1-CB 3.92Å; L325-L329 HydrophobicContact CD1-CD1 3.9Å; L325-L329 HydrophobicContact CD2-CB 3.96Å; L325-L329 HydrophobicContact CG-CB 3.6Å; L325-L329 HydrophobicContact CG-CD1 4.34Å; G326-L329 PolarHBondContact O-N 3.47Å; R327-L329 VanDerWaalsContact C-N 3.34Å; R327-L329 PolarHBondContact O-N 3.37Å; L329-K332 PolarHBondContact O-N 3.29Å; L329-Q333 WeakPolarHBondContact O-CB 3.15Å; L329-Q333 WeakPolarHBondContact O-CG 3.34Å; L329-Q333 PolarHBondContact O-N 2.96Å |
| 330 | W | 90.8 | Very high | 89.3 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 2% | 0.019 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 173.3 | 173 | -117.3 | 0 | 0 | 0 | 112.3 | V318 H321 Q322 L325 G326 R327 K332 Q333 I334 L348 | V318-W330 HydrophobicContact CG1-CH2 3.38Å; V318-W330 HydrophobicContact CG1-CZ2 3.61Å; V318-W330 HydrophobicContact CG1-CZ3 4.29Å; H321-W330 AromaticContact CD2-CZ3 3.93Å; Q322-W330 HydrophobicContact CB-CB 4.49Å; Q322-W330 HydrophobicContact CB-CD2 4.11Å; Q322-W330 HydrophobicContact CB-CG 4.05Å; Q322-W330 HydrophobicContact CG-CB 4.11Å; Q322-W330 HydrophobicContact CG-CD2 4.35Å; Q322-W330 HydrophobicContact CG-CG 3.8Å; Q322-W330 VanDerWaalsContact OE1-NE1 3.16Å; L325-W330 HydrophobicContact CD2-CB 4.34Å; G326-W330 PolarHBondContact O-N 3.41Å; R327-W330 WeakPolarHBondContact O-CB 3.08Å; R327-W330 PolarHBondContact O-N 2.86Å; W330-K332 VanDerWaalsContact C-N 3.29Å; W330-K332 PolarHBondContact O-N 3.37Å; W330-Q333 WeakPolarHBondContact O-CB 3.31Å; W330-Q333 PolarHBondContact O-N 3.44Å; W330-I334 HydrophobicContact CD2-CG1 4.1Å; W330-I334 HydrophobicContact CE3-CG1 4.44Å; W330-I334 HydrophobicContact CH2-CD1 3.67Å; W330-I334 HydrophobicContact CH2-CG1 4.12Å; W330-I334 HydrophobicContact CZ2-CD1 3.57Å; W330-I334 HydrophobicContact CZ2-CG1 3.76Å; W330-I334 HydrophobicContact CZ3-CD1 4.3Å; W330-I334 HydrophobicContact CZ3-CG1 4.45Å; W330-I334 PolarHBondContact O-N 3.28Å; W330-L348 HydrophobicContact CH2-CD1 4Å; W330-L348 HydrophobicContact CH2-CD2 4.1Å; W330-L348 HydrophobicContact CH2-CG 4.42Å; W330-L348 HydrophobicContact CZ3-CD1 3.79Å |
| 331 | I | 88.6 | Confident | 88.3 | Confident | 68 Ų | 68 | 71.9 Ų | 71.9 | 35% | 0.349 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 177.3 | -68.3 | 168.4 | 0 | 0 | 0 | 110.4 | R327 Q333 I334 G335 | R327-I331 HydrophobicContact CG-CD1 3.97Å; R327-I331 HydrophobicContact CG-CG1 4.49Å; R327-I331 WeakPolarHBondContact O-CG1 3.45Å; R327-I331 PolarHBondContact O-N 3.09Å; I331-Q333 VanDerWaalsContact C-N 3.35Å; I331-Q333 PolarHBondContact O-N 3.4Å; I331-I334 PolarHBondContact O-N 3.07Å; I331-G335 PolarHBondContact O-N 3.4Å |
| 332 | K | 90.2 | Very high | 87.6 | Confident | 127 Ų | 127 | 80.8 Ų | 80.8 | 55% | 0.552 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 174.6 | -176.1 | 176.8 | 176.2 | -179.8 | 0 | 111.9 | D328 L329 W330 I334 G335 E336 | D328-K332 PolarHBondContact O-N 2.94Å; D328-K332 VanDerWaalsContact O-N 3.12Å; L329-K332 PolarHBondContact O-N 3.29Å; W330-K332 VanDerWaalsContact C-N 3.29Å; W330-K332 PolarHBondContact O-N 3.37Å; K332-I334 PolarHBondContact O-N 3.42Å; K332-G335 PolarHBondContact O-N 3.1Å; K332-E336 WeakPolarHBondContact CE-OE1 3.4Å; K332-E336 WeakPolarHBondContact O-CG 3.34Å; K332-E336 PolarHBondContact O-N 2.94Å |
| 333 | Q | 90.8 | Very high | 87.2 | Confident | 37 Ų | 37 | 82 Ų | 82 | 17% | 0.173 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 178.5 | -77.6 | -169.8 | -5 | 0 | 0 | 112.8 | H321 L325 L329 W330 I331 A337 R351 | H321-Q333 PolarHBondContact NE2-OE1 2.96Å; L325-Q333 HydrophobicContact CD2-CG 4.07Å; L325-Q333 VanDerWaalsContact CD2-OE1 3.24Å; L329-Q333 WeakPolarHBondContact O-CB 3.15Å; L329-Q333 WeakPolarHBondContact O-CG 3.34Å; L329-Q333 PolarHBondContact O-N 2.96Å; W330-Q333 WeakPolarHBondContact O-CB 3.31Å; W330-Q333 PolarHBondContact O-N 3.44Å; I331-Q333 VanDerWaalsContact C-N 3.35Å; I331-Q333 PolarHBondContact O-N 3.4Å; Q333-A337 WeakPolarHBondContact O-CB 3.36Å; Q333-A337 PolarHBondContact O-N 2.72Å; Q333-R351 PolarHBondContact O-NH1 2.82Å |
| 334 | I | 88.6 | Confident | 87.1 | Confident | 4 Ų | 4 | 79.4 Ų | 79.4 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.2 | -47.1 | 174.5 | -70.4 | -67.5 | 0 | 0 | 0 | 111 | I238 L313 W330 I331 K332 E336 A337 Q338 L343 L348 | I238-I334 HydrophobicContact CD1-CG2 4.06Å; I238-I334 HydrophobicContact CG1-CG2 4Å; I238-I334 HydrophobicContact CG2-CG2 4.04Å; L313-I334 HydrophobicContact CD2-CD1 4.49Å; W330-I334 HydrophobicContact CD2-CG1 4.1Å; W330-I334 HydrophobicContact CE3-CG1 4.44Å; W330-I334 HydrophobicContact CH2-CD1 3.67Å; W330-I334 HydrophobicContact CH2-CG1 4.12Å; W330-I334 HydrophobicContact CZ2-CD1 3.57Å; W330-I334 HydrophobicContact CZ2-CG1 3.76Å; W330-I334 HydrophobicContact CZ3-CD1 4.3Å; W330-I334 HydrophobicContact CZ3-CG1 4.45Å; W330-I334 PolarHBondContact O-N 3.28Å; I331-I334 PolarHBondContact O-N 3.07Å; K332-I334 PolarHBondContact O-N 3.42Å; I334-E336 VanDerWaalsContact C-N 3.31Å; I334-E336 PolarHBondContact O-N 2.82Å; I334-A337 CarbonylContact O-C 3.46Å; I334-A337 WeakPolarHBondContact O-CA 3.24Å; I334-A337 PolarHBondContact O-N 3.11Å; I334-Q338 PolarHBondContact O-N 2.94Å; I334-Q338 VanDerWaalsContact O-N 3.13Å; I334-L343 HydrophobicContact CD1-CD1 4.31Å; I334-L343 HydrophobicContact CG2-CD1 4.43Å; I334-L348 HydrophobicContact CD1-CD1 3.99Å; I334-L348 HydrophobicContact CD1-CD2 3.56Å; I334-L348 HydrophobicContact CD1-CG 4.44Å |
| 335 | G | 87.9 | Confident | 86.9 | Confident | 43 Ų | 43 | 76.9 Ų | 76.9 | 44% | 0.443 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I331 K332 A337 Q338 | I331-G335 PolarHBondContact O-N 3.4Å; K332-G335 PolarHBondContact O-N 3.1Å; G335-A337 VanDerWaalsContact C-N 3.28Å; G335-A337 PolarHBondContact O-N 3.23Å; G335-Q338 PolarHBondContact O-N 3.49Å |
| 336 | E | 89.3 | Confident | 86.7 | Confident | 80 Ų | 80 | 75.7 Ų | 75.7 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.7 | -23 | 175.5 | -71.8 | 173.1 | -176.6 | 0 | 0 | 113.8 | K332 I334 Q338 K347 R351 | K332-E336 WeakPolarHBondContact CE-OE1 3.4Å; K332-E336 WeakPolarHBondContact O-CG 3.34Å; K332-E336 PolarHBondContact O-N 2.94Å; I334-E336 VanDerWaalsContact C-N 3.31Å; I334-E336 PolarHBondContact O-N 2.82Å; E336-Q338 VanDerWaalsContact C-N 3.35Å; E336-K347 PolarHBondContact O-NZ 3.11Å; E336-R351 IonicContact OE2-CZ 3.31Å; E336-R351 IonicContact OE2-NH1 2.6Å; E336-R351 PolarHBondContact OE2-NH1 2.94Å; E336-R351 IonicContact OE2-NH2 3.1Å; E336-R351 PolarHBondContact OE2-NH2 3.34Å |
| 337 | A | 87.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -87.8 | -4.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q333 I334 G335 L343 D344 L348 | Q333-A337 WeakPolarHBondContact O-CB 3.36Å; Q333-A337 PolarHBondContact O-N 2.72Å; I334-A337 CarbonylContact O-C 3.46Å; I334-A337 WeakPolarHBondContact O-CA 3.24Å; I334-A337 PolarHBondContact O-N 3.11Å; G335-A337 VanDerWaalsContact C-N 3.28Å; G335-A337 PolarHBondContact O-N 3.23Å; A337-L343 HydrophobicContact CB-CD1 3.93Å; A337-D344 VanDerWaalsContact O-CB 3.25Å; A337-D344 WeakPolarHBondContact O-CB 3.46Å; A337-D344 PolarHBondContact O-N 2.84Å; A337-L348 HydrophobicContact CB-CB 4.42Å |
| 338 | Q | 86.7 | Confident | 86.9 | Confident | 90 Ų | 90 | 72.6 Ų | 72.6 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 115.5 | 179.8 | -162.5 | 169.4 | 3.2 | 0 | 0 | 110.8 | I334 G335 E336 R342 | I334-Q338 PolarHBondContact O-N 2.94Å; I334-Q338 VanDerWaalsContact O-N 3.13Å; G335-Q338 PolarHBondContact O-N 3.49Å; E336-Q338 VanDerWaalsContact C-N 3.35Å; Q338-R342 CarbonylContact C-O 3.58Å; Q338-R342 WeakPolarHBondContact CA-O 3.47Å |
| 339 | E | 79.7 | Confident | 87 | Confident | 116 Ų | 116 | 66.5 Ų | 66.5 | 54% | 0.542 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.4 | 177.4 | -66 | -169.2 | 177.8 | 0 | 0 | 110.3 | G341 R342 | E339-G341 PolarHBondContact O-N 3.36Å; E339-G341 VanDerWaalsContact O-N 3.14Å; E339-R342 PolarHBondContact N-O 3.5Å; E339-R342 PolarHBondContact O-N 3.17Å |
| 340 | K | 77.8 | Confident | 87 | Confident | 218 Ų | 218 | 67 Ų | 67 | 95% | 0.948 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 37.3 | 179.9 | -58.8 | 177 | -179.5 | 173.6 | 0 | 113.5 | R342 | K340-R342 VanDerWaalsContact C-N 3.29Å; K340-R342 PolarHBondContact O-N 3.45Å |
| 341 | G | 73.8 | Confident | 87.1 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 62% | 0.619 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 3.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | E339 | E339-G341 PolarHBondContact O-N 3.36Å; E339-G341 VanDerWaalsContact O-N 3.14Å |
| 342 | R | 80.1 | Confident | 87.3 | Confident | 196 Ų | 196 | 66.7 Ų | 66.7 | 74% | 0.74 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 141.3 | 175 | -66 | -176.7 | 179.7 | 177 | -1.1 | 110.7 | Q338 E339 K340 | Q338-R342 CarbonylContact C-O 3.58Å; Q338-R342 WeakPolarHBondContact CA-O 3.47Å; E339-R342 PolarHBondContact N-O 3.5Å; E339-R342 PolarHBondContact O-N 3.17Å; K340-R342 VanDerWaalsContact C-N 3.29Å; K340-R342 PolarHBondContact O-N 3.45Å |
| 343 | L | 85.1 | Confident | 87.4 | Confident | 40 Ų | 40 | 64.9 Ų | 64.9 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 126.6 | 177.1 | -173.2 | 65.7 | 0 | 0 | 0 | 110.7 | L313 I334 A337 Y345 L348 | L313-L343 HydrophobicContact CD1-CD2 3.99Å; L313-L343 HydrophobicContact CD2-CD2 4.1Å; L313-L343 HydrophobicContact CG-CD2 4.49Å; I334-L343 HydrophobicContact CD1-CD1 4.31Å; I334-L343 HydrophobicContact CG2-CD1 4.43Å; A337-L343 HydrophobicContact CB-CD1 3.93Å; L343-Y345 HydrophobicContact CB-CD2 4.48Å; L343-Y345 HydrophobicContact CB-CE2 4.13Å; L343-Y345 HydrophobicContact CD2-CD1 4.44Å; L343-Y345 HydrophobicContact CD2-CE1 4.01Å; L343-Y345 HydrophobicContact CD2-CE2 4.19Å; L343-Y345 HydrophobicContact CG-CE2 4.4Å; L343-Y345 WeakPolarHBondContact O-CD2 3.36Å; L343-Y345 PolarHBondContact O-N 2.88Å; L343-L348 HydrophobicContact CD2-CD2 4.15Å |
| 344 | D | 88.7 | Confident | 87.5 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | trans | -81.4 | 95.1 | 169.1 | -176.6 | -10.2 | 0 | 0 | 0 | 109.9 | A337 A346 K347 L348 | A337-D344 VanDerWaalsContact O-CB 3.25Å; A337-D344 WeakPolarHBondContact O-CB 3.46Å; A337-D344 PolarHBondContact O-N 2.84Å; D344-A346 VanDerWaalsContact C-N 3.27Å; D344-A346 PolarHBondContact O-N 3.44Å; D344-A346 WeakPolarHBondContact OD1-CB 3.5Å; D344-A346 PolarHBondContact OD1-N 2.96Å; D344-K347 HydrophobicContact CB-CB 4.15Å; D344-K347 PolarHBondContact OD1-N 3.2Å; D344-K347 VanDerWaalsContact OD1-N 3.07Å; D344-K347 WeakPolarHBondContact OD2-CB 3.34Å; D344-L348 PolarHBondContact O-N 3.45Å | ||
| 345 | Y | 88.6 | Confident | 87.7 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 25% | 0.247 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.6 | -27.5 | 178 | -74.5 | -89.7 | 0 | 0 | 0 | 113 | T310 F311 L343 R349 | T310-Y345 HydrophobicContact CG2-CD2 3.84Å; T310-Y345 HydrophobicContact CG2-CE2 3.74Å; T310-Y345 HydrophobicContact CG2-CG 4.31Å; F311-Y345 AromaticContact CD1-CD1 3.72Å; F311-Y345 HydrophobicContact CD1-CD1 3.72Å; F311-Y345 HydrophobicContact CD2-CD1 4.49Å; F311-Y345 AromaticContact CE1-CD1 3.65Å; F311-Y345 HydrophobicContact CE1-CD1 3.65Å; F311-Y345 HydrophobicContact CE1-CG 4.39Å; F311-Y345 HydrophobicContact CE2-CD1 4.42Å; F311-Y345 HydrophobicContact CG-CD1 4.16Å; F311-Y345 HydrophobicContact CZ-CD1 4.03Å; F311-Y345 VanDerWaalsContact O-CE1 3.28Å; F311-Y345 WeakPolarHBondContact O-CE1 3.48Å; L343-Y345 HydrophobicContact CB-CD2 4.48Å; L343-Y345 HydrophobicContact CB-CE2 4.13Å; L343-Y345 HydrophobicContact CD2-CD1 4.44Å; L343-Y345 HydrophobicContact CD2-CE1 4.01Å; L343-Y345 HydrophobicContact CD2-CE2 4.19Å; L343-Y345 HydrophobicContact CG-CE2 4.4Å; L343-Y345 WeakPolarHBondContact O-CD2 3.36Å; L343-Y345 PolarHBondContact O-N 2.88Å; Y345-R349 WeakPolarHBondContact O-CB 3.5Å; Y345-R349 PolarHBondContact O-N 2.78Å |
| 346 | A | 88.9 | Confident | 88 | Confident | 23 Ų | 23 | 73.2 Ų | 73.2 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.3 | -48.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | D307 D344 L348 R349 E350 | D307-A346 HydrophobicContact CB-CB 4.43Å; D344-A346 VanDerWaalsContact C-N 3.27Å; D344-A346 PolarHBondContact O-N 3.44Å; D344-A346 WeakPolarHBondContact OD1-CB 3.5Å; D344-A346 PolarHBondContact OD1-N 2.96Å; A346-L348 VanDerWaalsContact C-N 3.35Å; A346-L348 PolarHBondContact O-N 3.21Å; A346-R349 PolarHBondContact O-N 2.82Å; A346-E350 PolarHBondContact O-N 3.44Å; A346-E350 VanDerWaalsContact O-N 3.12Å |
| 347 | K | 89.9 | Confident | 88.3 | Confident | 73 Ų | 73 | 69.4 Ų | 69.4 | 32% | 0.317 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 175.6 | -175 | 174.3 | -179 | -178.6 | 0 | 112.4 | E336 D344 R351 | E336-K347 PolarHBondContact O-NZ 3.11Å; D344-K347 HydrophobicContact CB-CB 4.15Å; D344-K347 PolarHBondContact OD1-N 3.2Å; D344-K347 VanDerWaalsContact OD1-N 3.07Å; D344-K347 WeakPolarHBondContact OD2-CB 3.34Å; K347-R351 WeakPolarHBondContact O-CG 2.95Å; K347-R351 PolarHBondContact O-N 3.45Å |
| 348 | L | 90.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.5 | -41 | 178.4 | -170.3 | 61.5 | 0 | 0 | 0 | 111.9 | F311 L313 W330 I334 A337 L343 D344 A346 E350 R351 I352 | F311-L348 HydrophobicContact CE2-CD2 4.27Å; F311-L348 HydrophobicContact CZ-CB 4.25Å; F311-L348 HydrophobicContact CZ-CD2 3.87Å; F311-L348 HydrophobicContact CZ-CG 4.04Å; L313-L348 HydrophobicContact CD2-CD2 3.68Å; W330-L348 HydrophobicContact CH2-CD1 4Å; W330-L348 HydrophobicContact CH2-CD2 4.1Å; W330-L348 HydrophobicContact CH2-CG 4.42Å; W330-L348 HydrophobicContact CZ3-CD1 3.79Å; I334-L348 HydrophobicContact CD1-CD1 3.99Å; I334-L348 HydrophobicContact CD1-CD2 3.56Å; I334-L348 HydrophobicContact CD1-CG 4.44Å; A337-L348 HydrophobicContact CB-CB 4.42Å; L343-L348 HydrophobicContact CD2-CD2 4.15Å; D344-L348 PolarHBondContact O-N 3.45Å; A346-L348 VanDerWaalsContact C-N 3.35Å; A346-L348 PolarHBondContact O-N 3.21Å; L348-E350 PolarHBondContact O-N 2.76Å; L348-R351 PolarHBondContact O-N 3.44Å; L348-I352 HydrophobicContact CD1-CD1 4.42Å; L348-I352 HydrophobicContact CD2-CD1 4.49Å; L348-I352 HydrophobicContact CG-CD1 3.86Å; L348-I352 WeakPolarHBondContact O-CD1 3.25Å; L348-I352 WeakPolarHBondContact O-CG1 3.25Å; L348-I352 PolarHBondContact O-N 3.35Å |
| 349 | R | 91.9 | Very high | 89.2 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 4% | 0.038 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 176.7 | -174.4 | -171.4 | -61.1 | 156.4 | 2.4 | 111.9 | P299 F300 M309 F311 Y345 A346 R351 I352 K353 | P299-R349 WeakPolarHBondContact O-CD 3.26Å; P299-R349 PolarHBondContact O-NE 2.93Å; F300-R349 HydrophobicContact CD1-CG 3.71Å; F300-R349 HydrophobicContact CE1-CG 4.07Å; M309-R349 PolarHBondContact O-NH2 3.29Å; F311-R349 HydrophobicContact CE1-CB 4.02Å; Y345-R349 WeakPolarHBondContact O-CB 3.5Å; Y345-R349 PolarHBondContact O-N 2.78Å; A346-R349 PolarHBondContact O-N 2.82Å; R349-R351 VanDerWaalsContact C-N 3.3Å; R349-R351 PolarHBondContact O-N 3.15Å; R349-I352 PolarHBondContact O-N 3.47Å; R349-K353 HydrophobicContact CG-CD 3.9Å; R349-K353 HydrophobicContact CG-CG 4.42Å; R349-K353 WeakPolarHBondContact O-CB 3.37Å; R349-K353 WeakPolarHBondContact O-CG 3.23Å; R349-K353 PolarHBondContact O-N 2.9Å |
| 350 | E | 91.5 | Very high | 90 | Very high | 105 Ų | 105 | 65.2 Ų | 65.2 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.9 | -36 | 179.5 | -68.7 | -52.3 | 120.2 | 0 | 0 | 112.1 | A346 L348 K353 A354 | A346-E350 PolarHBondContact O-N 3.44Å; A346-E350 VanDerWaalsContact O-N 3.12Å; L348-E350 PolarHBondContact O-N 2.76Å; E350-K353 PolarHBondContact O-N 3.08Å; E350-K353 IonicContact OE1-NZ 3.56Å; E350-K353 PolarHBondContact OE1-NZ 2.81Å; E350-K353 IonicContact OE2-NZ 2.7Å; E350-K353 PolarHBondContact OE2-NZ 2.95Å; E350-A354 WeakPolarHBondContact O-CB 3.41Å; E350-A354 PolarHBondContact O-N 3.21Å |
| 351 | R | 92.4 | Very high | 91 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 25% | 0.245 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 173.5 | -70.7 | 177.5 | 175.7 | -157.6 | -11.2 | 112.7 | Q333 E336 K347 L348 R349 A354 G355 | Q333-R351 PolarHBondContact O-NH1 2.82Å; E336-R351 IonicContact OE2-CZ 3.31Å; E336-R351 IonicContact OE2-NH1 2.6Å; E336-R351 PolarHBondContact OE2-NH1 2.94Å; E336-R351 IonicContact OE2-NH2 3.1Å; E336-R351 PolarHBondContact OE2-NH2 3.34Å; K347-R351 WeakPolarHBondContact O-CG 2.95Å; K347-R351 PolarHBondContact O-N 3.45Å; L348-R351 PolarHBondContact O-N 3.44Å; R349-R351 VanDerWaalsContact C-N 3.3Å; R349-R351 PolarHBondContact O-N 3.15Å; R351-A354 PolarHBondContact O-N 2.83Å; R351-G355 PolarHBondContact O-N 3.23Å; R351-G355 VanDerWaalsContact O-N 3.17Å |
| 352 | I | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 178.2 | -66.8 | 159.3 | 0 | 0 | 0 | 110.8 | F300 F311 P317 V318 H321 L348 R349 A354 G355 V358 | F300-I352 HydrophobicContact CD1-CB 4.43Å; F300-I352 HydrophobicContact CD1-CG2 4.06Å; F300-I352 HydrophobicContact CE1-CB 3.99Å; F300-I352 HydrophobicContact CE1-CD1 3.9Å; F300-I352 HydrophobicContact CE1-CG2 3.7Å; F300-I352 HydrophobicContact CZ-CD1 4.34Å; F300-I352 HydrophobicContact CZ-CG2 4.38Å; F311-I352 HydrophobicContact CE2-CD1 3.95Å; F311-I352 HydrophobicContact CZ-CD1 3.83Å; P317-I352 HydrophobicContact CB-CG2 4.46Å; V318-I352 HydrophobicContact CG1-CD1 4.44Å; V318-I352 HydrophobicContact CG2-CD1 3.91Å; H321-I352 HydrophobicContact CB-CG1 4.34Å; H321-I352 HydrophobicContact CB-CG2 4.15Å; L348-I352 HydrophobicContact CD1-CD1 4.42Å; L348-I352 HydrophobicContact CD2-CD1 4.49Å; L348-I352 HydrophobicContact CG-CD1 3.86Å; L348-I352 WeakPolarHBondContact O-CD1 3.25Å; L348-I352 WeakPolarHBondContact O-CG1 3.25Å; L348-I352 PolarHBondContact O-N 3.35Å; R349-I352 PolarHBondContact O-N 3.47Å; I352-A354 VanDerWaalsContact C-N 3.35Å; I352-G355 PolarHBondContact O-N 3.32Å; I352-G355 VanDerWaalsContact O-N 3.17Å; I352-V358 HydrophobicContact CG2-CG2 3.86Å |
| 353 | K | 92.9 | Very high | 93 | Very high | 90 Ų | 90 | 48 Ų | 48 | 39% | 0.391 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.7 | -35.9 | 175.4 | -76.5 | 170.1 | 63.4 | -162.2 | 0 | 112.9 | F300 R349 E350 V358 | F300-K353 HydrophobicContact CB-CG 4.24Å; F300-K353 HydrophobicContact CD1-CG 4.26Å; F300-K353 WeakPolarHBondContact O-CD 3.41Å; R349-K353 HydrophobicContact CG-CD 3.9Å; R349-K353 HydrophobicContact CG-CG 4.42Å; R349-K353 WeakPolarHBondContact O-CB 3.37Å; R349-K353 WeakPolarHBondContact O-CG 3.23Å; R349-K353 PolarHBondContact O-N 2.9Å; E350-K353 PolarHBondContact O-N 3.08Å; E350-K353 IonicContact OE1-NZ 3.56Å; E350-K353 PolarHBondContact OE1-NZ 2.81Å; E350-K353 IonicContact OE2-NZ 2.7Å; E350-K353 PolarHBondContact OE2-NZ 2.95Å; K353-V358 HydrophobicContact CG-CG2 4.24Å |
| 354 | A | 92.6 | Very high | 93.6 | Very high | 91 Ų | 91 | 47 Ų | 47 | 75% | 0.752 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -71.7 | -21.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E350 R351 I352 | E350-A354 WeakPolarHBondContact O-CB 3.41Å; E350-A354 PolarHBondContact O-N 3.21Å; R351-A354 PolarHBondContact O-N 2.83Å; I352-A354 VanDerWaalsContact C-N 3.35Å |
| 355 | G | 92.5 | Very high | 94.1 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -84.9 | -169.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R351 I352 | R351-G355 PolarHBondContact O-N 3.23Å; R351-G355 VanDerWaalsContact O-N 3.17Å; I352-G355 PolarHBondContact O-N 3.32Å; I352-G355 VanDerWaalsContact O-N 3.17Å |
| 356 | K | 94.5 | Very high | 94.5 | Very high | 141 Ų | 141 | 46.8 Ų | 46.8 | 61% | 0.613 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -92.9 | -2.1 | 178.5 | -66.3 | -176.4 | -179.8 | 178.7 | 0 | 114.1 | F324 T359 S360 | F324-K356 HydrophobicContact CD2-CB 3.87Å; F324-K356 HydrophobicContact CE2-CB 4.05Å; F324-K356 HydrophobicContact CG-CB 4.41Å; K356-T359 PolarHBondContact O-OG1 3.36Å; K356-T359 VanDerWaalsContact O-OG1 3.14Å; K356-S360 WeakPolarHBondContact O-CB 3.49Å; K356-S360 PolarHBondContact O-N 3.22Å; K356-S360 PolarHBondContact O-OG 3.13Å |
| 357 | G | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P317 A361 | P317-G357 WeakPolarHBondContact O-CA 3.38Å; G357-A361 WeakPolarHBondContact O-CB 3.49Å; G357-A361 PolarHBondContact O-N 3.02Å |
| 358 | V | 96.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.9 | -47.7 | -178.3 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | V297 F300 I301 P317 I352 K353 S360 A361 I362 | V297-V358 HydrophobicContact CG1-CG1 4.46Å; F300-V358 HydrophobicContact CB-CG1 4.01Å; F300-V358 HydrophobicContact CB-CG2 3.84Å; F300-V358 HydrophobicContact CD1-CG2 3.99Å; F300-V358 HydrophobicContact CG-CG2 3.95Å; I301-V358 HydrophobicContact CG2-CG1 4.17Å; P317-V358 HydrophobicContact CB-CG2 4.36Å; I352-V358 HydrophobicContact CG2-CG2 3.86Å; K353-V358 HydrophobicContact CG-CG2 4.24Å; V358-S360 PolarHBondContact O-N 3.41Å; V358-A361 PolarHBondContact O-N 2.74Å; V358-I362 HydrophobicContact CG1-CD1 4.21Å; V358-I362 WeakPolarHBondContact O-CG1 3.44Å; V358-I362 PolarHBondContact O-N 2.73Å |
| 359 | T | 96.5 | Very high | 95.8 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 48% | 0.479 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64 | -41.7 | 179.9 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | K356 A361 I362 D363 | K356-T359 PolarHBondContact O-OG1 3.36Å; K356-T359 VanDerWaalsContact O-OG1 3.14Å; T359-A361 VanDerWaalsContact C-N 3.34Å; T359-A361 PolarHBondContact O-N 3.01Å; T359-I362 WeakPolarHBondContact O-CB 3.18Å; T359-I362 PolarHBondContact O-N 2.99Å; T359-D363 PolarHBondContact O-N 3.13Å |
| 360 | S | 97.5 | Very high | 96.1 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.2 | -34 | 176.9 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | F324 K356 V358 D363 L364 | F324-S360 WeakPolarHBondContact CE2-OG 3.31Å; K356-S360 WeakPolarHBondContact O-CB 3.49Å; K356-S360 PolarHBondContact O-N 3.22Å; K356-S360 PolarHBondContact O-OG 3.13Å; V358-S360 PolarHBondContact O-N 3.41Å; S360-D363 PolarHBondContact O-N 3.35Å; S360-L364 WeakPolarHBondContact O-CB 3.17Å; S360-L364 PolarHBondContact O-N 3.1Å |
| 361 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -39.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I293 V297 A316 P317 L320 G357 V358 T359 L364 C365 | I293-A361 HydrophobicContact CG2-CB 4.34Å; I293-A361 WeakPolarHBondContact CG2-O 3.42Å; V297-A361 HydrophobicContact CG2-CB 3.74Å; A316-A361 HydrophobicContact CB-CB 4.26Å; P317-A361 HydrophobicContact CB-CB 4.23Å; P317-A361 HydrophobicContact CG-CB 3.77Å; L320-A361 HydrophobicContact CD1-CB 3.91Å; G357-A361 WeakPolarHBondContact O-CB 3.49Å; G357-A361 PolarHBondContact O-N 3.02Å; V358-A361 PolarHBondContact O-N 2.74Å; T359-A361 VanDerWaalsContact C-N 3.34Å; T359-A361 PolarHBondContact O-N 3.01Å; A361-L364 PolarHBondContact O-N 3.43Å; A361-C365 WeakPolarHBondContact O-CB 3.27Å; A361-C365 PolarHBondContact O-N 3.5Å |
| 362 | I | 97.8 | Very high | 96.7 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 11% | 0.113 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 173.3 | -74 | 168 | 0 | 0 | 0 | 110.8 | V297 I301 V358 T359 L364 C365 R366 F398 | V297-I362 HydrophobicContact CG1-CD1 4.21Å; V297-I362 HydrophobicContact CG1-CG1 3.84Å; V297-I362 HydrophobicContact CG2-CG1 4.31Å; I301-I362 HydrophobicContact CG2-CD1 4.39Å; V358-I362 HydrophobicContact CG1-CD1 4.21Å; V358-I362 WeakPolarHBondContact O-CG1 3.44Å; V358-I362 PolarHBondContact O-N 2.73Å; T359-I362 WeakPolarHBondContact O-CB 3.18Å; T359-I362 PolarHBondContact O-N 2.99Å; I362-L364 VanDerWaalsContact C-N 3.35Å; I362-L364 PolarHBondContact O-N 3.13Å; I362-C365 WeakPolarHBondContact O-CB 3.22Å; I362-C365 PolarHBondContact O-N 2.97Å; I362-R366 VanDerWaalsContact CG2-CZ 3.49Å; I362-R366 WeakPolarHBondContact O-CG 3.34Å; I362-R366 PolarHBondContact O-N 2.79Å; I362-F398 HydrophobicContact CB-CD2 4.34Å; I362-F398 HydrophobicContact CB-CE2 4.24Å; I362-F398 HydrophobicContact CD1-CD1 4.48Å; I362-F398 HydrophobicContact CD1-CG 4.38Å; I362-F398 HydrophobicContact CG1-CD1 4.07Å; I362-F398 HydrophobicContact CG1-CD2 4.19Å; I362-F398 HydrophobicContact CG1-CE1 4.1Å; I362-F398 HydrophobicContact CG1-CE2 4.22Å; I362-F398 HydrophobicContact CG1-CG 4.09Å; I362-F398 HydrophobicContact CG1-CZ 4.16Å; I362-F398 HydrophobicContact CG2-CD2 3.56Å; I362-F398 HydrophobicContact CG2-CE2 3.77Å; I362-F398 HydrophobicContact CG2-CG 4.15Å |
| 363 | D | 98 | Very high | 96.9 | Very high | 90 Ų | 90 | 48.6 Ų | 48.6 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 178.2 | -68 | -23.8 | 0 | 0 | 0 | 111.8 | T359 S360 R366 Y367 | T359-D363 PolarHBondContact O-N 3.13Å; S360-D363 PolarHBondContact O-N 3.35Å; D363-R366 PolarHBondContact O-N 3.12Å; D363-R366 IonicContact OD1-NH1 3.31Å; D363-R366 PolarHBondContact OD1-NH1 2.65Å; D363-Y367 WeakPolarHBondContact O-CB 3.15Å; D363-Y367 PolarHBondContact O-N 2.89Å |
| 364 | L | 98.3 | Very high | 97.2 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 173.2 | -176.1 | 61.9 | 0 | 0 | 0 | 112.2 | I244 W247 I293 S360 A361 I362 Y367 H368 | I244-L364 HydrophobicContact CD1-CD2 4.14Å; I244-L364 HydrophobicContact CG1-CD2 4.47Å; W247-L364 HydrophobicContact CZ3-CD2 4.29Å; I293-L364 HydrophobicContact CD1-CD2 4.07Å; I293-L364 HydrophobicContact CD1-CG 3.81Å; S360-L364 WeakPolarHBondContact O-CB 3.17Å; S360-L364 PolarHBondContact O-N 3.1Å; A361-L364 PolarHBondContact O-N 3.43Å; I362-L364 VanDerWaalsContact C-N 3.35Å; I362-L364 PolarHBondContact O-N 3.13Å; L364-Y367 HydrophobicContact CD1-CD1 4.24Å; L364-Y367 WeakPolarHBondContact O-CB 3.41Å; L364-Y367 PolarHBondContact O-N 2.87Å; L364-H368 PolarHBondContact O-CD2 2.98Å; L364-H368 VanDerWaalsContact O-CD2 3.31Å; L364-H368 PolarHBondContact O-N 3.24Å |
| 365 | C | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.7 | -46.9 | 173.5 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | S290 I293 A361 I362 Y367 H368 G369 F398 | S290-C365 PolarHBondContact O-SG 3.47Å; S290-C365 VanDerWaalsContact O-SG 3.41Å; S290-C365 PolarHBondContact OG-O 3.33Å; S290-C365 VanDerWaalsContact OG-O 3.12Å; S290-C365 PolarHBondContact OG-SG 3.04Å; I293-C365 HydrophobicContact CB-CB 3.98Å; I293-C365 HydrophobicContact CG2-CB 3.66Å; A361-C365 WeakPolarHBondContact O-CB 3.27Å; A361-C365 PolarHBondContact O-N 3.5Å; I362-C365 WeakPolarHBondContact O-CB 3.22Å; I362-C365 PolarHBondContact O-N 2.97Å; C365-Y367 VanDerWaalsContact C-N 3.34Å; C365-Y367 PolarHBondContact O-N 3.11Å; C365-H368 PolarHBondContact O-N 3.18Å; C365-G369 PolarHBondContact O-N 3.27Å; C365-F398 HydrophobicContact CB-CE2 4.02Å; C365-F398 HydrophobicContact CB-CZ 3.73Å; C365-F398 VanDerWaalsContact SG-CZ 3.51Å |
| 366 | R | 98.2 | Very high | 97.7 | Very high | 107 Ų | 107 | 42.9 Ų | 42.9 | 40% | 0.404 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62 | -40.4 | 176.1 | -70.5 | 171.9 | 178.9 | 150.7 | -3.3 | 112.2 | I362 D363 H368 G369 N370 | I362-R366 VanDerWaalsContact CG2-CZ 3.49Å; I362-R366 WeakPolarHBondContact O-CG 3.34Å; I362-R366 PolarHBondContact O-N 2.79Å; D363-R366 PolarHBondContact O-N 3.12Å; D363-R366 IonicContact OD1-NH1 3.31Å; D363-R366 PolarHBondContact OD1-NH1 2.65Å; R366-H368 PolarHBondContact O-N 3.29Å; R366-G369 PolarHBondContact O-N 3.01Å; R366-N370 VanDerWaalsContact O-CG 3.31Å; R366-N370 PolarHBondContact O-N 3.44Å |
| 367 | Y | 98.6 | Very high | 97.8 | Very high | 118 Ų | 118 | 42.6 Ų | 42.6 | 46% | 0.463 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.2 | -50.5 | 174 | 168.5 | -95.4 | 0 | 0 | 0 | 111.6 | D363 L364 C365 G369 N370 K371 | D363-Y367 WeakPolarHBondContact O-CB 3.15Å; D363-Y367 PolarHBondContact O-N 2.89Å; L364-Y367 HydrophobicContact CD1-CD1 4.24Å; L364-Y367 WeakPolarHBondContact O-CB 3.41Å; L364-Y367 PolarHBondContact O-N 2.87Å; C365-Y367 VanDerWaalsContact C-N 3.34Å; C365-Y367 PolarHBondContact O-N 3.11Å; Y367-G369 VanDerWaalsContact C-N 3.34Å; Y367-G369 PolarHBondContact O-N 2.97Å; Y367-N370 PolarHBondContact O-N 3.06Å; Y367-K371 HydrophobicContact CE1-CG 4.21Å; Y367-K371 HydrophobicContact CE2-CG 4.12Å; Y367-K371 WeakPolarHBondContact O-CG 3.45Å; Y367-K371 PolarHBondContact O-N 3.5Å |
| 368 | H | 98.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.5 | -37.7 | 176.9 | -80 | -79.7 | 0 | 0 | 0 | 111.9 | H286 M289 L364 C365 R366 K371 A372 | H286-H368 WeakPolarHBondContact CB-O 3.39Å; H286-H368 AromaticContact CE1-ND1 3.67Å; H286-H368 AromaticContact ND1-CE1 3.85Å; H286-H368 AromaticContact ND1-CG 3.87Å; H286-H368 AromaticContact ND1-ND1 3.01Å; H286-H368 PolarHBondContact ND1-ND1 3.08Å; M289-H368 HydrophobicContact CB-CB 4.28Å; M289-H368 WeakPolarHBondContact CB-ND1 3.31Å; L364-H368 PolarHBondContact O-CD2 2.98Å; L364-H368 VanDerWaalsContact O-CD2 3.31Å; L364-H368 PolarHBondContact O-N 3.24Å; C365-H368 PolarHBondContact O-N 3.18Å; R366-H368 PolarHBondContact O-N 3.29Å; H368-K371 PolarHBondContact O-N 3.31Å; H368-A372 PolarHBondContact O-N 3.43Å |
| 369 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.6 | -49.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C365 R366 Y367 K371 A372 L373 V392 | C365-G369 PolarHBondContact O-N 3.27Å; R366-G369 PolarHBondContact O-N 3.01Å; Y367-G369 VanDerWaalsContact C-N 3.34Å; Y367-G369 PolarHBondContact O-N 2.97Å; G369-K371 VanDerWaalsContact C-N 3.33Å; G369-K371 PolarHBondContact O-N 2.96Å; G369-A372 WeakPolarHBondContact O-CB 3.49Å; G369-A372 PolarHBondContact O-N 2.81Å; G369-A372 VanDerWaalsContact O-N 3.08Å; G369-L373 WeakPolarHBondContact O-CG 3.34Å; G369-L373 PolarHBondContact O-N 3.26Å; G369-V392 WeakPolarHBondContact O-CG1 3.42Å |
| 370 | N | 98.6 | Very high | 97.6 | Very high | 91 Ų | 91 | 44.9 Ų | 44.9 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 178.6 | -69.1 | -11.8 | 0 | 0 | 0 | 111.9 | R366 Y367 A372 L373 E374 | R366-N370 VanDerWaalsContact O-CG 3.31Å; R366-N370 PolarHBondContact O-N 3.44Å; Y367-N370 PolarHBondContact O-N 3.06Å; N370-A372 VanDerWaalsContact C-N 3.29Å; N370-A372 PolarHBondContact O-N 3.05Å; N370-L373 WeakPolarHBondContact O-CB 3.35Å; N370-L373 PolarHBondContact O-N 3.4Å; N370-L373 VanDerWaalsContact O-N 3.09Å; N370-E374 WeakPolarHBondContact O-CG 3.34Å; N370-E374 PolarHBondContact O-N 3.01Å |
| 371 | K | 98.8 | Very high | 97.5 | Very high | 64 Ų | 64 | 49.3 Ų | 49.3 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.8 | -33.9 | 174.8 | -71.6 | -72.6 | 164 | -150.5 | 0 | 113.2 | H286 Y367 H368 G369 E374 A375 | H286-K371 HydrophobicContact CB-CB 4.16Å; H286-K371 VanDerWaalsContact ND1-CB 3.28Å; H286-K371 WeakPolarHBondContact ND1-CB 3.35Å; Y367-K371 HydrophobicContact CE1-CG 4.21Å; Y367-K371 HydrophobicContact CE2-CG 4.12Å; Y367-K371 WeakPolarHBondContact O-CG 3.45Å; Y367-K371 PolarHBondContact O-N 3.5Å; H368-K371 PolarHBondContact O-N 3.31Å; G369-K371 VanDerWaalsContact C-N 3.33Å; G369-K371 PolarHBondContact O-N 2.96Å; K371-E374 WeakPolarHBondContact CD-OE2 3.46Å; K371-E374 IonicContact NZ-OE1 2.9Å; K371-E374 PolarHBondContact NZ-OE1 3.33Å; K371-E374 IonicContact NZ-OE2 3.76Å; K371-E374 PolarHBondContact NZ-OE2 3.06Å; K371-A375 PolarHBondContact O-N 3.18Å; K371-A375 VanDerWaalsContact O-N 3.12Å |
| 372 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y283 H286 M287 H368 G369 N370 A375 L376 V392 | Y283-A372 HydrophobicContact CD2-CB 3.97Å; Y283-A372 WeakPolarHBondContact CD2-O 3.16Å; Y283-A372 HydrophobicContact CE2-CB 4.13Å; H286-A372 HydrophobicContact CB-CB 3.87Å; M287-A372 HydrophobicContact CB-CB 4.49Å; H368-A372 PolarHBondContact O-N 3.43Å; G369-A372 WeakPolarHBondContact O-CB 3.49Å; G369-A372 PolarHBondContact O-N 2.81Å; G369-A372 VanDerWaalsContact O-N 3.08Å; N370-A372 VanDerWaalsContact C-N 3.29Å; N370-A372 PolarHBondContact O-N 3.05Å; A372-A375 WeakPolarHBondContact O-CB 3.41Å; A372-A375 PolarHBondContact O-N 2.67Å; A372-L376 PolarHBondContact O-N 2.83Å; A372-V392 HydrophobicContact CB-CG2 3.99Å |
| 373 | L | 98.5 | Very high | 97.4 | Very high | 29 Ų | 29 | 56.8 Ų | 56.8 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 176.2 | -63.8 | 172.2 | 0 | 0 | 0 | 112.1 | G369 N370 A375 L376 E377 E389 V392 F393 | G369-L373 WeakPolarHBondContact O-CG 3.34Å; G369-L373 PolarHBondContact O-N 3.26Å; N370-L373 WeakPolarHBondContact O-CB 3.35Å; N370-L373 PolarHBondContact O-N 3.4Å; N370-L373 VanDerWaalsContact O-N 3.09Å; L373-A375 VanDerWaalsContact C-N 3.26Å; L373-A375 PolarHBondContact O-N 2.84Å; L373-L376 WeakPolarHBondContact O-CB 3.49Å; L373-L376 PolarHBondContact O-N 3.44Å; L373-E377 PolarHBondContact O-N 2.93Å; L373-E389 HydrophobicContact CD2-CB 3.89Å; L373-E389 HydrophobicContact CD2-CG 3.83Å; L373-V392 HydrophobicContact CD1-CG1 4.31Å; L373-V392 HydrophobicContact CD2-CB 3.99Å; L373-V392 HydrophobicContact CD2-CG1 4.04Å; L373-V392 HydrophobicContact CD2-CG2 4.42Å; L373-V392 HydrophobicContact CG-CB 4.4Å; L373-V392 HydrophobicContact CG-CG1 3.9Å; L373-F393 HydrophobicContact CD1-CD1 4.29Å; L373-F393 HydrophobicContact CD1-CE1 3.52Å; L373-F393 HydrophobicContact CD1-CZ 3.89Å; L373-F393 HydrophobicContact CD2-CE1 4.46Å; L373-F393 HydrophobicContact CD2-CZ 4.23Å |
| 374 | E | 98.5 | Very high | 97.3 | Very high | 84 Ų | 84 | 52.6 Ų | 52.6 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.5 | -42.9 | 173.2 | -71.3 | 171 | -152.8 | 0 | 0 | 110.8 | N370 K371 L376 E377 | N370-E374 WeakPolarHBondContact O-CG 3.34Å; N370-E374 PolarHBondContact O-N 3.01Å; K371-E374 WeakPolarHBondContact CD-OE2 3.46Å; K371-E374 IonicContact NZ-OE1 2.9Å; K371-E374 PolarHBondContact NZ-OE1 3.33Å; K371-E374 IonicContact NZ-OE2 3.76Å; K371-E374 PolarHBondContact NZ-OE2 3.06Å; E374-L376 PolarHBondContact O-N 2.91Å; E374-E377 WeakPolarHBondContact O-CB 3.46Å; E374-E377 PolarHBondContact O-N 3.45Å; E374-E377 VanDerWaalsContact O-N 3.12Å |
| 375 | A | 98.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.033 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.5 | -28.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | M279 Q282 K371 A372 L373 E377 F379 | M279-A375 HydrophobicContact CE-CB 4.38Å; Q282-A375 HydrophobicContact CB-CB 4.03Å; K371-A375 PolarHBondContact O-N 3.18Å; K371-A375 VanDerWaalsContact O-N 3.12Å; A372-A375 WeakPolarHBondContact O-CB 3.41Å; A372-A375 PolarHBondContact O-N 2.67Å; L373-A375 VanDerWaalsContact C-N 3.26Å; L373-A375 PolarHBondContact O-N 2.84Å; A375-E377 VanDerWaalsContact C-N 3.29Å; A375-E377 PolarHBondContact O-N 2.67Å; A375-F379 WeakPolarHBondContact O-CE2 3.35Å |
| 376 | L | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -75.9 | -15.5 | 177.7 | -68.4 | 178.1 | 0 | 0 | 0 | 113.5 | I119 Y283 A372 L373 E374 S378 F379 R385 L388 E389 | I119-L376 HydrophobicContact CD1-CD2 3.81Å; Y283-L376 HydrophobicContact CD2-CD1 3.96Å; Y283-L376 HydrophobicContact CD2-CD2 3.48Å; Y283-L376 VanDerWaalsContact CD2-CD2 3.48Å; Y283-L376 HydrophobicContact CD2-CG 3.51Å; Y283-L376 HydrophobicContact CE2-CD1 3.61Å; Y283-L376 HydrophobicContact CE2-CD2 3.78Å; Y283-L376 HydrophobicContact CE2-CG 3.73Å; Y283-L376 HydrophobicContact CG-CD2 3.91Å; Y283-L376 HydrophobicContact CG-CG 4.39Å; A372-L376 PolarHBondContact O-N 2.83Å; L373-L376 WeakPolarHBondContact O-CB 3.49Å; L373-L376 PolarHBondContact O-N 3.44Å; E374-L376 PolarHBondContact O-N 2.91Å; L376-S378 PolarHBondContact O-N 2.91Å; L376-F379 HydrophobicContact CD2-CD2 4.32Å; L376-F379 PolarHBondContact O-N 3.25Å; L376-R385 HydrophobicContact CB-CG 4.42Å; L376-R385 VanDerWaalsContact O-CZ 3.28Å; L376-R385 PolarHBondContact O-NE 3.2Å; L376-R385 PolarHBondContact O-NH1 3.18Å; L376-L388 HydrophobicContact CD1-CB 3.65Å; L376-L388 HydrophobicContact CD2-CB 4.13Å; L376-L388 HydrophobicContact CD2-CD1 3.75Å; L376-E389 HydrophobicContact CD1-CG 3.63Å |
| 377 | E | 96.1 | Very high | 97.2 | Very high | 135 Ų | 135 | 51.2 Ų | 51.2 | 63% | 0.631 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29.9 | -177.7 | -66.2 | -176.2 | 171.8 | 0 | 0 | 112.9 | L373 E374 A375 F379 R385 | L373-E377 PolarHBondContact O-N 2.93Å; E374-E377 WeakPolarHBondContact O-CB 3.46Å; E374-E377 PolarHBondContact O-N 3.45Å; E374-E377 VanDerWaalsContact O-N 3.12Å; A375-E377 VanDerWaalsContact C-N 3.29Å; A375-E377 PolarHBondContact O-N 2.67Å; E377-F379 PolarHBondContact O-N 3.34Å; E377-R385 PolarHBondContact O-NH1 2.93Å |
| 378 | S | 92.9 | Very high | 97.1 | Very high | 62 Ų | 62 | 45.6 Ų | 45.6 | 43% | 0.434 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -12.7 | 176.2 | -56.6 | 0 | 0 | 0 | 0 | 114.4 | M279 L376 | M279-S378 WeakPolarHBondContact CE-OG 3.22Å; L376-S378 PolarHBondContact O-N 2.91Å |
| 379 | F | 95.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -96.2 | 142.5 | 178.7 | -61.1 | -93.4 | 0 | 0 | 0 | 110.5 | I119 A122 A123 M267 V276 M279 A280 A375 L376 E377 R385 | I119-F379 HydrophobicContact CD1-CD1 4.33Å; I119-F379 HydrophobicContact CD1-CD2 4.31Å; I119-F379 HydrophobicContact CD1-CE1 3.96Å; I119-F379 HydrophobicContact CD1-CE2 3.91Å; I119-F379 HydrophobicContact CD1-CZ 3.73Å; I119-F379 HydrophobicContact CG1-CE1 4.12Å; I119-F379 HydrophobicContact CG1-CZ 4.09Å; A122-F379 HydrophobicContact CB-CB 4.49Å; A123-F379 HydrophobicContact CB-CD1 3.78Å; A123-F379 HydrophobicContact CB-CE1 3.84Å; M267-F379 HydrophobicContact SD-CE1 3.97Å; V276-F379 HydrophobicContact CG1-CE1 3.96Å; V276-F379 HydrophobicContact CG1-CZ 4.36Å; M279-F379 HydrophobicContact CB-CE2 4.06Å; M279-F379 HydrophobicContact CB-CZ 4.38Å; A280-F379 HydrophobicContact CB-CZ 4Å; A375-F379 WeakPolarHBondContact O-CE2 3.35Å; L376-F379 HydrophobicContact CD2-CD2 4.32Å; L376-F379 PolarHBondContact O-N 3.25Å; E377-F379 PolarHBondContact O-N 3.34Å; F379-R385 WeakPolarHBondContact O-CD 3.22Å; F379-R385 PolarHBondContact O-NH1 3.06Å |
| 380 | P | 94.5 | Very high | 97 | Very high | 72 Ų | 72 | 51.1 Ų | 51.1 | 47% | 0.468 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 145.2 | -178.1 | 25.1 | -34.1 | 0 | 0 | 0 | 112 | A122 S382 | A122-P380 VanDerWaalsContact O-CD 3.3Å; A122-P380 WeakPolarHBondContact O-CD 3.43Å; A122-P380 VanDerWaalsContact O-CG 3.28Å; A122-P380 WeakPolarHBondContact O-CG 3.46Å; P380-S382 PolarHBondContact O-N 3.15Å; P380-S382 PolarHBondContact O-OG 2.94Å |
| 381 | P | 96.2 | Very high | 96.8 | Very high | 121 Ų | 121 | 46.8 Ų | 46.8 | 79% | 0.786 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -54.6 | 123.6 | 173.8 | -25.1 | 34.2 | 0 | 0 | 0 | 111.3 | ||
| 382 | S | 96.8 | Very high | 96.6 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | trans | -159.6 | 161.9 | -177.8 | 60.7 | 0 | 0 | 0 | 0 | 110.3 | P380 A384 R385 S386 | P380-S382 PolarHBondContact O-N 3.15Å; P380-S382 PolarHBondContact O-OG 2.94Å; S382-A384 PolarHBondContact O-N 3.48Å; S382-R385 PolarHBondContact O-N 3.28Å; S382-R385 VanDerWaalsContact O-N 3.16Å; S382-R385 PolarHBondContact OG-N 2.85Å; S382-R385 VanDerWaalsContact OG-N 3.15Å; S382-S386 PolarHBondContact O-N 3.13Å; S382-S386 PolarHBondContact O-OG 3.4Å | ||
| 383 | E | 96.3 | Very high | 96.5 | Very high | 141 Ų | 141 | 48.7 Ų | 48.7 | 66% | 0.659 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -56.8 | -35.4 | 173.2 | -65.4 | -176.8 | 166.1 | 0 | 0 | 112 | I59 S386 A387 | I59-E383 HydrophobicContact CD1-CB 4.25Å; I59-E383 HydrophobicContact CG1-CB 4.43Å; I59-E383 HydrophobicContact CG2-CB 4.39Å; E383-S386 PolarHBondContact O-N 2.74Å; E383-A387 WeakPolarHBondContact O-CB 3.4Å; E383-A387 PolarHBondContact O-N 2.93Å |
| 384 | A | 96.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I59 L118 K121 A122 S382 A387 L388 | I59-A384 HydrophobicContact CG2-CB 4.15Å; L118-A384 HydrophobicContact CD2-CB 4.32Å; K121-A384 HydrophobicContact CB-CB 3.84Å; K121-A384 HydrophobicContact CD-CB 4Å; K121-A384 HydrophobicContact CG-CB 3.93Å; A122-A384 HydrophobicContact CB-CB 4Å; S382-A384 PolarHBondContact O-N 3.48Å; A384-A387 PolarHBondContact O-N 2.99Å; A384-L388 WeakPolarHBondContact O-CG 3.32Å; A384-L388 PolarHBondContact O-N 3.2Å; A384-L388 VanDerWaalsContact O-N 3.09Å |
| 385 | R | 97.7 | Very high | 95.8 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 15% | 0.151 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 173.2 | 177.7 | 177.8 | 157.6 | 168 | 2.8 | 110.8 | A122 L376 E377 F379 S382 A387 L388 E389 | A122-R385 HydrophobicContact CB-CB 4.25Å; L376-R385 HydrophobicContact CB-CG 4.42Å; L376-R385 VanDerWaalsContact O-CZ 3.28Å; L376-R385 PolarHBondContact O-NE 3.2Å; L376-R385 PolarHBondContact O-NH1 3.18Å; E377-R385 PolarHBondContact O-NH1 2.93Å; F379-R385 WeakPolarHBondContact O-CD 3.22Å; F379-R385 PolarHBondContact O-NH1 3.06Å; S382-R385 PolarHBondContact O-N 3.28Å; S382-R385 VanDerWaalsContact O-N 3.16Å; S382-R385 PolarHBondContact OG-N 2.85Å; S382-R385 VanDerWaalsContact OG-N 3.15Å; R385-A387 PolarHBondContact O-N 3.46Å; R385-L388 WeakPolarHBondContact O-CB 3.44Å; R385-L388 PolarHBondContact O-N 3.24Å; R385-L388 VanDerWaalsContact O-N 3.08Å; R385-E389 IonicContact CZ-OE1 3.65Å; R385-E389 IonicContact NE-OE1 2.66Å; R385-E389 PolarHBondContact NE-OE1 3.42Å; R385-E389 IonicContact NH2-OE1 3.46Å; R385-E389 PolarHBondContact NH2-OE1 3.31Å; R385-E389 WeakPolarHBondContact O-CG 3.19Å; R385-E389 PolarHBondContact O-N 2.96Å |
| 386 | S | 97.9 | Very high | 95.5 | Very high | 55 Ų | 55 | 45.1 Ų | 45.1 | 39% | 0.385 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.9 | -34.7 | 177.7 | -54.4 | 0 | 0 | 0 | 0 | 112.6 | S382 E383 E389 N390 | S382-S386 PolarHBondContact O-N 3.13Å; S382-S386 PolarHBondContact O-OG 3.4Å; E383-S386 PolarHBondContact O-N 2.74Å; S386-E389 PolarHBondContact O-N 3.19Å; S386-N390 WeakPolarHBondContact O-CB 3.41Å; S386-N390 PolarHBondContact O-N 3.31Å; S386-N390 PolarHBondContact O-ND2 3.17Å; S386-N390 VanDerWaalsContact O-ND2 3.14Å |
| 387 | A | 96.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A56 I59 L118 E383 A384 R385 E389 N390 I391 | A56-A387 HydrophobicContact CB-CB 4.31Å; I59-A387 HydrophobicContact CD1-CB 3.61Å; L118-A387 HydrophobicContact CD1-CB 4.26Å; L118-A387 HydrophobicContact CD2-CB 3.93Å; E383-A387 WeakPolarHBondContact O-CB 3.4Å; E383-A387 PolarHBondContact O-N 2.93Å; A384-A387 PolarHBondContact O-N 2.99Å; R385-A387 PolarHBondContact O-N 3.46Å; A387-E389 VanDerWaalsContact C-N 3.34Å; A387-N390 PolarHBondContact O-N 2.99Å; A387-I391 WeakPolarHBondContact O-CG1 3.32Å; A387-I391 PolarHBondContact O-N 3.01Å |
| 388 | L | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 173.7 | -67.5 | 166.8 | 0 | 0 | 0 | 111.6 | V115 L118 I119 A122 Y283 L376 A384 R385 I391 V392 | V115-L388 HydrophobicContact CG1-CD2 4.37Å; V115-L388 HydrophobicContact CG2-CD2 4.45Å; L118-L388 HydrophobicContact CB-CD1 4.17Å; L118-L388 HydrophobicContact CB-CD2 3.51Å; L118-L388 HydrophobicContact CB-CG 3.76Å; L118-L388 HydrophobicContact CD1-CD2 3.78Å; L118-L388 HydrophobicContact CD1-CG 4.19Å; L118-L388 HydrophobicContact CG-CD2 4.34Å; I119-L388 HydrophobicContact CB-CD1 4.27Å; I119-L388 HydrophobicContact CD1-CD1 3.75Å; A122-L388 HydrophobicContact CB-CD1 4.18Å; Y283-L388 HydrophobicContact CE1-CD2 3.69Å; Y283-L388 HydrophobicContact CE2-CB 4.21Å; Y283-L388 WeakPolarHBondContact OH-CB 3.18Å; Y283-L388 VanDerWaalsContact OH-CD2 3.28Å; Y283-L388 WeakPolarHBondContact OH-CD2 3.44Å; Y283-L388 PolarHBondContact OH-O 2.96Å; L376-L388 HydrophobicContact CD1-CB 3.65Å; L376-L388 HydrophobicContact CD2-CB 4.13Å; L376-L388 HydrophobicContact CD2-CD1 3.75Å; A384-L388 WeakPolarHBondContact O-CG 3.32Å; A384-L388 PolarHBondContact O-N 3.2Å; A384-L388 VanDerWaalsContact O-N 3.09Å; R385-L388 WeakPolarHBondContact O-CB 3.44Å; R385-L388 PolarHBondContact O-N 3.24Å; R385-L388 VanDerWaalsContact O-N 3.08Å; L388-I391 PolarHBondContact O-N 3.25Å; L388-V392 WeakPolarHBondContact O-CG2 3.47Å; L388-V392 PolarHBondContact O-N 3.47Å; L388-V392 VanDerWaalsContact O-N 3.13Å |
| 389 | E | 97.9 | Very high | 92.9 | Very high | 43 Ų | 43 | 49.8 Ų | 49.8 | 20% | 0.201 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 174.2 | -66.1 | 171.8 | -179.9 | 0 | 0 | 110.9 | L373 L376 R385 S386 A387 I391 V392 F393 | L373-E389 HydrophobicContact CD2-CB 3.89Å; L373-E389 HydrophobicContact CD2-CG 3.83Å; L376-E389 HydrophobicContact CD1-CG 3.63Å; R385-E389 IonicContact CZ-OE1 3.65Å; R385-E389 IonicContact NE-OE1 2.66Å; R385-E389 PolarHBondContact NE-OE1 3.42Å; R385-E389 IonicContact NH2-OE1 3.46Å; R385-E389 PolarHBondContact NH2-OE1 3.31Å; R385-E389 WeakPolarHBondContact O-CG 3.19Å; R385-E389 PolarHBondContact O-N 2.96Å; S386-E389 PolarHBondContact O-N 3.19Å; A387-E389 VanDerWaalsContact C-N 3.34Å; E389-I391 VanDerWaalsContact C-N 3.32Å; E389-I391 PolarHBondContact O-N 3.15Å; E389-V392 WeakPolarHBondContact O-CB 3.46Å; E389-V392 PolarHBondContact O-N 3.17Å; E389-V392 VanDerWaalsContact O-N 3.08Å; E389-F393 HydrophobicContact CB-CD2 4.45Å; E389-F393 HydrophobicContact CB-CE2 4Å; E389-F393 WeakPolarHBondContact O-CD2 3.42Å; E389-F393 WeakPolarHBondContact O-CG 3.41Å; E389-F393 PolarHBondContact O-N 3.23Å |
| 390 | N | 96 | Very high | 92.8 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 176.9 | -74.5 | -30.4 | 0 | 0 | 0 | 112.9 | V52 S386 A387 V392 F393 A394 | V52-N390 HydrophobicContact CG1-CB 4.14Å; S386-N390 WeakPolarHBondContact O-CB 3.41Å; S386-N390 PolarHBondContact O-N 3.31Å; S386-N390 PolarHBondContact O-ND2 3.17Å; S386-N390 VanDerWaalsContact O-ND2 3.14Å; A387-N390 PolarHBondContact O-N 2.99Å; N390-V392 VanDerWaalsContact C-N 3.35Å; N390-F393 PolarHBondContact O-N 3.46Å; N390-A394 WeakPolarHBondContact O-CB 3.33Å; N390-A394 PolarHBondContact O-N 2.89Å |
| 391 | I | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 173.1 | -72.5 | 167 | 0 | 0 | 0 | 110 | W49 V52 A56 L111 L118 M287 A387 L388 E389 A394 V395 | W49-I391 HydrophobicContact CH2-CG2 4.15Å; W49-I391 HydrophobicContact CZ3-CG2 4.35Å; V52-I391 HydrophobicContact CG1-CG1 3.83Å; A56-I391 HydrophobicContact CB-CD1 4.27Å; L111-I391 HydrophobicContact CD1-CG2 4.28Å; L118-I391 HydrophobicContact CD1-CD1 3.66Å; M287-I391 HydrophobicContact CE-CG2 3.4Å; M287-I391 VanDerWaalsContact CE-CG2 3.4Å; A387-I391 WeakPolarHBondContact O-CG1 3.32Å; A387-I391 PolarHBondContact O-N 3.01Å; L388-I391 PolarHBondContact O-N 3.25Å; E389-I391 VanDerWaalsContact C-N 3.32Å; E389-I391 PolarHBondContact O-N 3.15Å; I391-A394 PolarHBondContact O-N 3.14Å; I391-V395 WeakPolarHBondContact O-CG2 3.36Å; I391-V395 PolarHBondContact O-N 3.25Å |
| 392 | V | 95.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 178.1 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | Y283 M287 G369 A372 L373 L388 E389 N390 A394 V395 T396 | Y283-V392 HydrophobicContact CE2-CG2 3.93Å; M287-V392 HydrophobicContact CG-CG2 4.48Å; G369-V392 WeakPolarHBondContact O-CG1 3.42Å; A372-V392 HydrophobicContact CB-CG2 3.99Å; L373-V392 HydrophobicContact CD1-CG1 4.31Å; L373-V392 HydrophobicContact CD2-CB 3.99Å; L373-V392 HydrophobicContact CD2-CG1 4.04Å; L373-V392 HydrophobicContact CD2-CG2 4.42Å; L373-V392 HydrophobicContact CG-CB 4.4Å; L373-V392 HydrophobicContact CG-CG1 3.9Å; L388-V392 WeakPolarHBondContact O-CG2 3.47Å; L388-V392 PolarHBondContact O-N 3.47Å; L388-V392 VanDerWaalsContact O-N 3.13Å; E389-V392 WeakPolarHBondContact O-CB 3.46Å; E389-V392 PolarHBondContact O-N 3.17Å; E389-V392 VanDerWaalsContact O-N 3.08Å; N390-V392 VanDerWaalsContact C-N 3.35Å; V392-A394 VanDerWaalsContact C-N 3.31Å; V392-A394 PolarHBondContact O-N 3.08Å; V392-V395 PolarHBondContact O-N 3.5Å; V392-V395 VanDerWaalsContact O-N 3.15Å; V392-T396 HydrophobicContact CG1-CG2 4.44Å; V392-T396 PolarHBondContact O-N 3.11Å; V392-T396 PolarHBondContact O-OG1 2.82Å |
| 393 | F | 95.5 | Very high | 92.3 | Very high | 103 Ų | 103 | 47.6 Ų | 47.6 | 45% | 0.452 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.3 | -43.7 | 177.4 | -68 | -47.6 | 0 | 0 | 0 | 111.9 | L373 E389 N390 V395 T396 R397 | L373-F393 HydrophobicContact CD1-CD1 4.29Å; L373-F393 HydrophobicContact CD1-CE1 3.52Å; L373-F393 HydrophobicContact CD1-CZ 3.89Å; L373-F393 HydrophobicContact CD2-CE1 4.46Å; L373-F393 HydrophobicContact CD2-CZ 4.23Å; E389-F393 HydrophobicContact CB-CD2 4.45Å; E389-F393 HydrophobicContact CB-CE2 4Å; E389-F393 WeakPolarHBondContact O-CD2 3.42Å; E389-F393 WeakPolarHBondContact O-CG 3.41Å; E389-F393 PolarHBondContact O-N 3.23Å; N390-F393 PolarHBondContact O-N 3.46Å; F393-V395 VanDerWaalsContact C-N 3.32Å; F393-V395 PolarHBondContact O-N 2.78Å; F393-T396 PolarHBondContact O-N 2.94Å; F393-T396 PolarHBondContact O-OG1 2.81Å; F393-R397 WeakPolarHBondContact O-CB 3.43Å; F393-R397 PolarHBondContact O-N 3.36Å; F393-R397 VanDerWaalsContact O-N 3.12Å |
| 394 | A | 91.6 | Very high | 92 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 12% | 0.116 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -37.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W49 V52 N390 I391 V392 | W49-A394 HydrophobicContact CE3-CB 3.74Å; W49-A394 HydrophobicContact CZ3-CB 4.01Å; V52-A394 HydrophobicContact CG1-CB 4.4Å; V52-A394 HydrophobicContact CG2-CB 4.2Å; N390-A394 WeakPolarHBondContact O-CB 3.33Å; N390-A394 PolarHBondContact O-N 2.89Å; I391-A394 PolarHBondContact O-N 3.14Å; V392-A394 VanDerWaalsContact C-N 3.31Å; V392-A394 PolarHBondContact O-N 3.08Å |
| 395 | V | 90.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.4 | -40.2 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 112 | W49 M287 S290 H291 N294 I391 V392 F393 R397 | W49-V395 HydrophobicContact CH2-CG2 3.87Å; W49-V395 HydrophobicContact CZ3-CG2 3.57Å; M287-V395 HydrophobicContact CE-CG2 3.86Å; S290-V395 WeakPolarHBondContact OG-CG1 3.35Å; H291-V395 HydrophobicContact CB-CG1 4.34Å; H291-V395 HydrophobicContact CB-CG2 4.46Å; N294-V395 HydrophobicContact CB-CG1 3.81Å; N294-V395 PolarHBondContact ND2-O 3.01Å; I391-V395 WeakPolarHBondContact O-CG2 3.36Å; I391-V395 PolarHBondContact O-N 3.25Å; V392-V395 PolarHBondContact O-N 3.5Å; V392-V395 VanDerWaalsContact O-N 3.15Å; F393-V395 VanDerWaalsContact C-N 3.32Å; F393-V395 PolarHBondContact O-N 2.78Å; V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 3.08Å |
| 396 | T | 92.5 | Very high | 91.3 | Very high | 23 Ų | 23 | 44.9 Ų | 44.9 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -83.4 | 0.7 | -177.6 | 58 | 0 | 0 | 0 | 0 | 114.5 | V392 F393 F398 | V392-T396 HydrophobicContact CG1-CG2 4.44Å; V392-T396 PolarHBondContact O-N 3.11Å; V392-T396 PolarHBondContact O-OG1 2.82Å; F393-T396 PolarHBondContact O-N 2.94Å; F393-T396 PolarHBondContact O-OG1 2.81Å; T396-F398 WeakPolarHBondContact O-CD2 3.42Å; T396-F398 WeakPolarHBondContact O-CE2 3.33Å; T396-F398 PolarHBondContact O-N 3.11Å |
| 397 | R | 88.4 | Confident | 90.8 | Very high | 109 Ų | 109 | 44.1 Ų | 44.1 | 41% | 0.411 | 24% | 0.235 | S | C | . | . | trans | -85.6 | 105.4 | -178.7 | -163.7 | 177 | 76.9 | 163.5 | 8.3 | 110.6 | H48 F393 V395 | H48-R397 VanDerWaalsContact CB-NH2 3.29Å; H48-R397 PolarHBondContact CD2-NH1 3.44Å; H48-R397 VanDerWaalsContact CD2-NH1 3.32Å; H48-R397 PolarHBondContact CD2-NH2 2.92Å; H48-R397 VanDerWaalsContact CD2-NH2 3.33Å; H48-R397 PolarHBondContact NE2-NH1 3.3Å; F393-R397 WeakPolarHBondContact O-CB 3.43Å; F393-R397 PolarHBondContact O-N 3.36Å; F393-R397 VanDerWaalsContact O-N 3.12Å; V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 3.08Å | ||
| 398 | F | 84 | Confident | 90.4 | Very high | 35 Ų | 35 | 47.3 Ų | 47.3 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | trans | -100.8 | 122.9 | 171.5 | -57.1 | -78.6 | 0 | 0 | 0 | 108.3 | N294 V297 I301 I362 C365 T396 | N294-F398 WeakPolarHBondContact ND2-CE1 3.29Å; V297-F398 HydrophobicContact CB-CE1 4.11Å; V297-F398 HydrophobicContact CG1-CD1 4.09Å; V297-F398 HydrophobicContact CG1-CE1 3.81Å; I301-F398 HydrophobicContact CD1-CD1 3.8Å; I362-F398 HydrophobicContact CB-CD2 4.34Å; I362-F398 HydrophobicContact CB-CE2 4.24Å; I362-F398 HydrophobicContact CD1-CD1 4.48Å; I362-F398 HydrophobicContact CD1-CG 4.38Å; I362-F398 HydrophobicContact CG1-CD1 4.07Å; I362-F398 HydrophobicContact CG1-CD2 4.19Å; I362-F398 HydrophobicContact CG1-CE1 4.1Å; I362-F398 HydrophobicContact CG1-CE2 4.22Å; I362-F398 HydrophobicContact CG1-CG 4.09Å; I362-F398 HydrophobicContact CG1-CZ 4.16Å; I362-F398 HydrophobicContact CG2-CD2 3.56Å; I362-F398 HydrophobicContact CG2-CE2 3.77Å; I362-F398 HydrophobicContact CG2-CG 4.15Å; C365-F398 HydrophobicContact CB-CE2 4.02Å; C365-F398 HydrophobicContact CB-CZ 3.73Å; C365-F398 VanDerWaalsContact SG-CZ 3.51Å; T396-F398 WeakPolarHBondContact O-CD2 3.42Å; T396-F398 WeakPolarHBondContact O-CE2 3.33Å; T396-F398 PolarHBondContact O-N 3.11Å | ||
| 399 | S | 60.6 | Low | 89.7 | Confident | 151 Ų | 151 | 51.6 Ų | 51.6 | 100% | 1.056 | 27% | 0.274 | S | S | * | . | trans | -95.3 | 0 | 179.6 | 58.1 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 399 of 399 residues in 2597.3 ms
(Link to these results)