| 1 | M | 71.8 | Confident | 72.9 | Confident | 219 Ų | 219 | 144.5 Ų | 144.5 | 100% | 1.079 | 70% | 0.695 | S | S | * | * | | | | 0 | -46.6 | 0 | -87 | -173 | 160.7 | 0 | 0 | 113.4 | L3 W4 | M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.17Å; M1-W4 WeakPolarHBondContact O-CB 3.43Å; M1-W4 PolarHBondContact O-N 3.25Å; M1-W4 VanDerWaalsContact O-N 3.17Å |
| 2 | L | 77 | Confident | 71.6 | Confident | 152 Ų | 152 | 142.8 Ų | 142.8 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -55.2 | -36.6 | 177.3 | -85 | 155.9 | 0 | 0 | 0 | 114.8 | W4 W5 L6 | L2-W4 VanDerWaalsContact C-N 3.26Å; L2-W4 PolarHBondContact O-N 3.31Å; L2-W5 WeakPolarHBondContact O-CB 3.46Å; L2-W5 PolarHBondContact O-N 3.11Å; L2-W5 VanDerWaalsContact O-N 3.11Å; L2-L6 PolarHBondContact O-N 3.3Å |
| 3 | L | 78.1 | Confident | 70.1 | Confident | 143 Ų | 143 | 140.4 Ų | 140.4 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -63.8 | -28.9 | -179.5 | -128.5 | 144.8 | 0 | 0 | 0 | 113.3 | M1 L7 | M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.17Å; L3-L7 PolarHBondContact O-N 3.33Å |
| 4 | W | 79.4 | Confident | 68.2 | Low | 191 Ų | 191 | 138.6 Ų | 138.6 | 72% | 0.723 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -71.7 | -31.1 | 175.5 | -175.7 | -89.8 | 0 | 0 | 0 | 112.5 | M1 L2 N8 | M1-W4 WeakPolarHBondContact O-CB 3.43Å; M1-W4 PolarHBondContact O-N 3.25Å; M1-W4 VanDerWaalsContact O-N 3.17Å; L2-W4 VanDerWaalsContact C-N 3.26Å; L2-W4 PolarHBondContact O-N 3.31Å; W4-N8 PolarHBondContact NE1-ND2 3.25Å; W4-N8 PolarHBondContact O-N 3.48Å; W4-N8 PolarHBondContact O-ND2 3.33Å; W4-N8 VanDerWaalsContact O-ND2 3.15Å |
| 5 | W | 77.2 | Confident | 67.1 | Low | 189 Ų | 189 | 133.5 Ų | 133.5 | 72% | 0.716 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -71.7 | -43.7 | 178.4 | -116.5 | 93.8 | 0 | 0 | 0 | 111.6 | L2 L7 N8 L9 | L2-W5 WeakPolarHBondContact O-CB 3.46Å; L2-W5 PolarHBondContact O-N 3.11Å; L2-W5 VanDerWaalsContact O-N 3.11Å; W5-L7 PolarHBondContact O-N 3.32Å; W5-N8 PolarHBondContact O-N 3.5Å; W5-L9 PolarHBondContact O-N 3.48Å; W5-L9 VanDerWaalsContact O-N 3.1Å |
| 6 | L | 74.5 | Confident | 66.1 | Low | 121 Ų | 121 | 132.4 Ų | 132.4 | 63% | 0.634 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -64.6 | -38.1 | 177.5 | -84.6 | 163.7 | 0 | 0 | 0 | 112.8 | L2 N8 L9 M10 | L2-L6 PolarHBondContact O-N 3.3Å; L6-N8 VanDerWaalsContact C-N 3.33Å; L6-N8 PolarHBondContact O-N 3.18Å; L6-L9 PolarHBondContact O-N 3.49Å; L6-M10 PolarHBondContact O-N 3.15Å |
| 7 | L | 75.9 | Confident | 65.1 | Low | 113 Ų | 113 | 133.1 Ų | 133.1 | 59% | 0.592 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -66.5 | -35.7 | 177.7 | -157.1 | 113.5 | 0 | 0 | 0 | 112 | L3 W5 L9 | L3-L7 PolarHBondContact O-N 3.33Å; W5-L7 PolarHBondContact O-N 3.32Å; L7-L9 VanDerWaalsContact C-N 3.34Å |
| 8 | N | 72 | Confident | 64.2 | Low | 72 Ų | 72 | 132.1 Ų | 132.1 | 39% | 0.385 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -67.8 | -34 | 172.1 | -90.4 | -71.1 | 0 | 0 | 0 | 112.5 | W4 W5 L6 M10 I11 I12 | W4-N8 PolarHBondContact NE1-ND2 3.25Å; W4-N8 PolarHBondContact O-N 3.48Å; W4-N8 PolarHBondContact O-ND2 3.33Å; W4-N8 VanDerWaalsContact O-ND2 3.15Å; W5-N8 PolarHBondContact O-N 3.5Å; L6-N8 VanDerWaalsContact C-N 3.33Å; L6-N8 PolarHBondContact O-N 3.18Å; N8-M10 PolarHBondContact O-N 3.32Å; N8-I11 PolarHBondContact O-N 3.36Å; N8-I12 WeakPolarHBondContact O-CD1 3.4Å; N8-I12 WeakPolarHBondContact O-CG1 3.44Å |
| 9 | L | 70.5 | Confident | 63.5 | Low | 95 Ų | 95 | 131.7 Ų | 131.7 | 50% | 0.497 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -70.4 | -32.7 | -177 | -156.1 | 139.2 | 0 | 0 | 0 | 112.6 | W5 L6 L7 I11 I12 | W5-L9 PolarHBondContact O-N 3.48Å; W5-L9 VanDerWaalsContact O-N 3.1Å; L6-L9 PolarHBondContact O-N 3.49Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L9-I11 VanDerWaalsContact C-N 3.33Å; L9-I11 PolarHBondContact O-N 3.49Å; L9-I12 PolarHBondContact O-N 3.1Å |
| 10 | M | 61.8 | Low | 62.9 | Low | 167 Ų | 167 | 130.8 Ų | 130.8 | 82% | 0.823 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.2 | -26.9 | 174.8 | -95.4 | -130.9 | 151.4 | 0 | 0 | 114 | L6 N8 I12 | L6-M10 PolarHBondContact O-N 3.15Å; N8-M10 PolarHBondContact O-N 3.32Å; M10-I12 VanDerWaalsContact C-N 3.27Å; M10-I12 PolarHBondContact O-N 3.32Å |
| 11 | I | 64.1 | Low | 62.2 | Low | 127 Ų | 127 | 133.5 Ų | 133.5 | 65% | 0.651 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -76.9 | -18.1 | 178.8 | -64.6 | 168.3 | 0 | 0 | 0 | 111.3 | N8 L9 | N8-I11 PolarHBondContact O-N 3.36Å; L9-I11 VanDerWaalsContact C-N 3.33Å; L9-I11 PolarHBondContact O-N 3.49Å |
| 12 | I | 56.5 | Low | 61 | Low | 124 Ų | 124 | 134.9 Ų | 134.9 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 8.7 | -171.9 | -64.5 | 168.5 | 0 | 0 | 0 | 113.1 | N8 L9 M10 P14 | N8-I12 WeakPolarHBondContact O-CD1 3.4Å; N8-I12 WeakPolarHBondContact O-CG1 3.44Å; L9-I12 PolarHBondContact O-N 3.1Å; M10-I12 VanDerWaalsContact C-N 3.27Å; M10-I12 PolarHBondContact O-N 3.32Å; I12-P14 WeakPolarHBondContact O-CD 2.99Å |
| 13 | I | 52.2 | Low | 59.5 | Low | 112 Ų | 112 | 133.2 Ų | 133.2 | 57% | 0.574 | 68% | 0.676 | S | S | * | * | | | trans | -108.4 | 75.9 | 168.8 | -51.4 | 172.4 | 0 | 0 | 0 | 109.8 | I16 | I13-I16 HydrophobicContact CG2-CD1 3.95Å; I13-I16 HydrophobicContact CG2-CG1 4.1Å |
| 14 | P | 43.8 | Very low | 58.1 | Low | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 68% | 0.676 | S | S | * | * | | | trans | -75.3 | 134.2 | 165.4 | 32.4 | -30.7 | 0 | 0 | 0 | 109 | I12 | I12-P14 WeakPolarHBondContact O-CD 2.99Š|
| 15 | G | 51.1 | Low | 56.6 | Low | 62 Ų | 62 | 127.6 Ų | 127.6 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | | | trans | 101.9 | 27.3 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | D17 | G15-D17 PolarHBondContact O-N 3.33Š|
| 16 | I | 52.4 | Low | 55.2 | Low | 117 Ų | 117 | 127.6 Ų | 127.6 | 60% | 0.6 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -69.2 | -22.9 | 164.8 | -57.4 | 175.3 | 0 | 0 | 0 | 111.3 | I13 V18 L19 | I13-I16 HydrophobicContact CG2-CD1 3.95Å; I13-I16 HydrophobicContact CG2-CG1 4.1Å; I16-V18 VanDerWaalsContact C-N 3.3Å; I16-V18 PolarHBondContact O-N 3.48Å; I16-L19 HydrophobicContact CG2-CD1 4.29Å |
| 17 | D | 48.8 | Very low | 54 | Low | 143 Ų | 143 | 132.3 Ų | 132.3 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -78.6 | -1.8 | -172.6 | -75.5 | -21.8 | 0 | 0 | 0 | 115.9 | G15 | G15-D17 PolarHBondContact O-N 3.33Š|
| 18 | V | 48 | Very low | 52.5 | Low | 116 Ų | 116 | 132.4 Ų | 132.4 | 70% | 0.703 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -126.1 | 43.1 | 174.9 | -154.2 | 0 | 0 | 0 | 0 | 110.9 | I16 P20 | I16-V18 VanDerWaalsContact C-N 3.3Å; I16-V18 PolarHBondContact O-N 3.48Å; V18-P20 VanDerWaalsContact O-CD 3.31Å; V18-P20 WeakPolarHBondContact O-CD 3.31Å |
| 19 | L | 51.5 | Low | 51.3 | Low | 125 Ų | 125 | 134.1 Ų | 134.1 | 65% | 0.654 | 71% | 0.709 | S | S | * | * | | | trans | -58 | 116.6 | 151.8 | -79.7 | 153.4 | 0 | 0 | 0 | 106.4 | I16 Y21 | I16-L19 HydrophobicContact CG2-CD1 4.29Å; L19-Y21 PolarHBondContact O-N 3.49Å |
| 20 | P | 51 | Low | 50.2 | Low | 112 Ų | 112 | 134.6 Ų | 134.6 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | | | trans | -59.4 | 110.9 | 179.5 | 23.3 | -31.5 | 0 | 0 | 0 | 107.3 | V18 R22 | V18-P20 VanDerWaalsContact O-CD 3.31Å; V18-P20 WeakPolarHBondContact O-CD 3.31Å; P20-R22 PolarHBondContact O-N 3.24Å |
| 21 | Y | 48.2 | Very low | 49.4 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 74% | 0.737 | 71% | 0.707 | S | S | * | * | | | trans | -47.4 | 115.5 | 168.3 | -38.9 | -87.6 | 0 | 0 | 0 | 105.5 | L19 T23 | L19-Y21 PolarHBondContact O-N 3.49Å; Y21-T23 PolarHBondContact O-N 2.97Å |
| 22 | R | 46.5 | Very low | 48.5 | Very low | 249 Ų | 249 | 137.6 Ų | 137.6 | 94% | 0.94 | 71% | 0.714 | S | S | * | * | | | trans | -63.9 | 86 | 177.7 | -131.1 | -175.6 | -174.3 | -157.1 | 2 | 105.9 | P20 G24 | P20-R22 PolarHBondContact O-N 3.24Å; R22-G24 PolarHBondContact O-N 2.86Å |
| 23 | T | 47.1 | Very low | 48.2 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | | | trans | -64.6 | 105.6 | 170.9 | 42.5 | 0 | 0 | 0 | 0 | 104.8 | Y21 N25 | Y21-T23 PolarHBondContact O-N 2.97Å; T23-N25 PolarHBondContact O-N 2.94Å |
| 24 | G | 48 | Very low | 48 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -62.3 | 9.3 | -165.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | R22 | R22-G24 PolarHBondContact O-N 2.86Š|
| 25 | N | 47.3 | Very low | 48.2 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | | | trans | -135.5 | 51.5 | -167 | -68.1 | 11.1 | 0 | 0 | 0 | 113.7 | T23 | T23-N25 PolarHBondContact O-N 2.94Š|
| 26 | K | 48.9 | Very low | 48 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | | | trans | -117.9 | 1.1 | 170.7 | -137.8 | -173.6 | -178.4 | -175.2 | 0 | 116.5 | V28 | K26-V28 PolarHBondContact O-N 2.69Š|
| 27 | Y | 48.3 | Very low | 47.7 | Very low | 220 Ų | 220 | 147.4 Ų | 147.4 | 86% | 0.863 | 74% | 0.739 | S | S | * | * | | | trans | -93 | 58.9 | 160.3 | -55.1 | -75.8 | 0 | 0 | 0 | 108.3 | N29 | Y27-N29 PolarHBondContact O-N 3.39Š|
| 28 | V | 45.2 | Very low | 47.5 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 70% | 0.703 | 73% | 0.725 | S | S | * | * | | | trans | -64.1 | 106.3 | 152.3 | 178.3 | 0 | 0 | 0 | 0 | 103.4 | K26 N30 | K26-V28 PolarHBondContact O-N 2.69Å; V28-N30 PolarHBondContact O-N 2.81Å |
| 29 | N | 45.8 | Very low | 47.3 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 58% | 0.578 | 73% | 0.726 | S | S | * | * | | | trans | -50.7 | 102.7 | -179 | -77.8 | -33.8 | 0 | 0 | 0 | 109.8 | Y27 Y31 | Y27-N29 PolarHBondContact O-N 3.39Å; N29-Y31 HydrophobicContact CB-CD2 3.87Å; N29-Y31 PolarHBondContact O-N 2.78Å |
| 30 | N | 46.8 | Very low | 47.3 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 56% | 0.561 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 1.4 | 170 | -81.4 | 9.3 | 0 | 0 | 0 | 112.9 | V28 Q32 D33 Y34 | V28-N30 PolarHBondContact O-N 2.81Å; N30-Q32 PolarHBondContact O-N 3.03Å; N30-Q32 VanDerWaalsContact O-N 3.13Å; N30-D33 PolarHBondContact O-N 3.03Å; N30-Y34 HydrophobicContact CB-CE2 4.12Å; N30-Y34 WeakPolarHBondContact O-CD2 3.35Å |
| 31 | Y | 44.9 | Very low | 47.2 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 73% | 0.729 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -60.4 | -21.2 | 179.6 | -68.5 | -71.8 | 0 | 0 | 0 | 113.8 | N29 | N29-Y31 HydrophobicContact CB-CD2 3.87Å; N29-Y31 PolarHBondContact O-N 2.78Å |
| 32 | Q | 46.2 | Very low | 47.3 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -78.1 | -23.2 | 179.4 | -90.9 | 171.4 | -24.1 | 0 | 0 | 114.6 | N30 | N30-Q32 PolarHBondContact O-N 3.03Å; N30-Q32 VanDerWaalsContact O-N 3.13Å |
| 33 | D | 50 | Low | 47.4 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -88.9 | -14.6 | 178.3 | -69.4 | -22.8 | 0 | 0 | 0 | 112.8 | N30 | N30-D33 PolarHBondContact O-N 3.03Å |
| 34 | Y | 47.4 | Very low | 47.2 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 58% | 0.584 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -82.6 | -22.5 | -178.5 | -79.1 | -72.5 | 0 | 0 | 0 | 114.2 | N30 | N30-Y34 HydrophobicContact CB-CE2 4.12Å; N30-Y34 WeakPolarHBondContact O-CD2 3.35Å |
| 35 | D | 49.8 | Very low | 47.1 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 81% | 0.807 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -26.5 | -173.2 | -154.2 | 19.3 | 0 | 0 | 0 | 112.8 | | |
| 36 | N | 46.8 | Very low | 47 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 78% | 0.781 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -6.3 | -166.6 | -144.7 | 29.9 | 0 | 0 | 0 | 115.6 | | |
| 37 | N | 46.1 | Very low | 46.9 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.2 | 0.9 | 179.8 | -111.7 | 6.7 | 0 | 0 | 0 | 115.7 | N39 | N37-N39 PolarHBondContact O-N 2.79Š|
| 38 | N | 44.1 | Very low | 46.8 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 47% | 0.465 | 66% | 0.663 | S | S | . | * | | | trans | -100.2 | 73.7 | 175.5 | -109.9 | -3.2 | 0 | 0 | 0 | 110 | L40 | N38-L40 HydrophobicContact CB-CD1 3.95Å; N38-L40 HydrophobicContact CB-CG 3.8Å; N38-L40 VanDerWaalsContact CG-CD1 3.43Å; N38-L40 WeakPolarHBondContact ND2-CD1 3.18Å; N38-L40 PolarHBondContact O-N 3.3Å; N38-L40 WeakPolarHBondContact OD1-CG 3.25Å |
| 39 | N | 44 | Very low | 46.9 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | | | trans | -61.7 | 62.5 | 151.8 | -165.9 | 22.8 | 0 | 0 | 0 | 109.1 | N37 D41 | N37-N39 PolarHBondContact O-N 2.79Å; N39-D41 VanDerWaalsContact C-N 3.26Å |
| 40 | L | 50.6 | Low | 47.1 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 35% | 0.351 | 67% | 0.672 | S | S | . | * | G | 310 helix | trans | -85 | 2.7 | 179.1 | -81.1 | 178.1 | 0 | 0 | 0 | 112.7 | N38 G42 Y43 | N38-L40 HydrophobicContact CB-CD1 3.95Å; N38-L40 HydrophobicContact CB-CG 3.8Å; N38-L40 VanDerWaalsContact CG-CD1 3.43Å; N38-L40 WeakPolarHBondContact ND2-CD1 3.18Å; N38-L40 PolarHBondContact O-N 3.3Å; N38-L40 WeakPolarHBondContact OD1-CG 3.25Å; L40-G42 PolarHBondContact O-N 2.77Å; L40-Y43 HydrophobicContact CD2-CD2 4.16Å; L40-Y43 HydrophobicContact CD2-CG 4.41Å; L40-Y43 PolarHBondContact O-N 2.93Å |
| 41 | D | 49.3 | Very low | 47.2 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 88% | 0.877 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -60.3 | -9.9 | 170.1 | -80.2 | -4.8 | 0 | 0 | 0 | 112.4 | N39 | N39-D41 VanDerWaalsContact C-N 3.26Š|
| 42 | G | 50.2 | Low | 47.4 | Very low | 43 Ų | 43 | 124.8 Ų | 124.8 | 44% | 0.443 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -112.9 | -3.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | L40 | L40-G42 PolarHBondContact O-N 2.77Š|
| 43 | Y | 48.4 | Very low | 47.6 | Very low | 168 Ų | 168 | 124 Ų | 124 | 66% | 0.659 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -2.7 | -169.5 | -78.4 | -76.8 | 0 | 0 | 0 | 116 | L40 | L40-Y43 HydrophobicContact CD2-CD2 4.16Å; L40-Y43 HydrophobicContact CD2-CG 4.41Å; L40-Y43 PolarHBondContact O-N 2.93Å |
| 44 | W | 43.4 | Very low | 47.3 | Very low | 202 Ų | 202 | 119.7 Ų | 119.7 | 77% | 0.765 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -80.5 | -27.6 | 171.5 | -72.1 | 95.8 | 0 | 0 | 0 | 112.7 | | |
| 45 | D | 45.7 | Very low | 47.5 | Very low | 154 Ų | 154 | 118.6 Ų | 118.6 | 82% | 0.824 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -21.1 | -175.6 | -73.8 | -20.4 | 0 | 0 | 0 | 113.8 | | |
| 46 | D | 45.2 | Very low | 47.5 | Very low | 121 Ų | 121 | 116.8 Ų | 116.8 | 65% | 0.647 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 27.9 | 179.4 | -81.5 | -14.3 | 0 | 0 | 0 | 113.7 | T48 | D46-T48 PolarHBondContact O-N 3.11Å; D46-T48 PolarHBondContact O-OG1 2.96Å |
| 47 | I | 47.7 | Very low | 47.7 | Very low | 103 Ų | 103 | 117.6 Ų | 117.6 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | | | trans | -70.9 | 71 | 158.2 | -50.8 | 175.7 | 0 | 0 | 0 | 107.2 | P49 | I47-P49 VanDerWaalsContact O-CD 3.28Å; I47-P49 WeakPolarHBondContact O-CD 3.37Å |
| 48 | T | 45.9 | Very low | 47.9 | Very low | 91 Ų | 91 | 114.9 Ų | 114.9 | 56% | 0.558 | 59% | 0.592 | S | S | * | * | | | trans | -66.4 | 118.2 | 166.7 | 24.2 | 0 | 0 | 0 | 0 | 106.7 | D46 N50 S51 | D46-T48 PolarHBondContact O-N 3.11Å; D46-T48 PolarHBondContact O-OG1 2.96Å; T48-N50 PolarHBondContact O-N 3.04Å; T48-S51 PolarHBondContact O-N 2.74Å |
| 49 | P | 47.7 | Very low | 48.3 | Very low | 100 Ų | 100 | 116.1 Ų | 116.1 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 129.4 | 174.5 | 20.8 | -28.8 | 0 | 0 | 0 | 107.9 | I47 | I47-P49 VanDerWaalsContact O-CD 3.28Å; I47-P49 WeakPolarHBondContact O-CD 3.37Å |
| 50 | N | 49.9 | Very low | 48.4 | Very low | 153 Ų | 153 | 117.8 Ų | 117.8 | 82% | 0.818 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93 | 14.5 | -168.4 | -46.8 | -55.1 | 0 | 0 | 0 | 117 | T48 | T48-N50 PolarHBondContact O-N 3.04Š|
| 51 | S | 47.7 | Very low | 48.3 | Very low | 37 Ų | 37 | 120.8 Ų | 120.8 | 26% | 0.259 | 60% | 0.604 | S | S | . | * | | | trans | -61.4 | 145.1 | 164.4 | 177 | 0 | 0 | 0 | 0 | 110.6 | T48 M53 D54 | T48-S51 PolarHBondContact O-N 2.74Å; S51-M53 PolarHBondContact O-N 3.03Å; S51-D54 WeakPolarHBondContact O-CB 3.46Å; S51-D54 PolarHBondContact O-N 3.13Å |
| 52 | P | 50.6 | Low | 48.3 | Very low | 88 Ų | 88 | 117.5 Ų | 117.5 | 57% | 0.571 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -54.2 | -21.6 | 175.1 | 19.1 | -31.6 | 0 | 0 | 0 | 113.7 | Q55 M56 | P52-Q55 PolarHBondContact O-N 3.27Å; P52-M56 PolarHBondContact O-N 2.78Å |
| 53 | M | 48.9 | Very low | 48.2 | Very low | 155 Ų | 155 | 121 Ų | 121 | 76% | 0.764 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.2 | -35.3 | 170.7 | -86.4 | -172.3 | 154.6 | 0 | 0 | 113.8 | S51 M56 R57 | S51-M53 PolarHBondContact O-N 3.03Å; M53-M56 PolarHBondContact O-N 2.96Å; M53-R57 PolarHBondContact O-N 2.91Å |
| 54 | D | 44.3 | Very low | 48 | Very low | 45 Ų | 45 | 118.6 Ų | 118.6 | 24% | 0.241 | 60% | 0.597 | C | S | . | * | H | α-helix | trans | -71.3 | -35 | 176.2 | -87.4 | -20.5 | 0 | 0 | 0 | 111.8 | S51 R57 N58 | S51-D54 WeakPolarHBondContact O-CB 3.46Å; S51-D54 PolarHBondContact O-N 3.13Å; D54-R57 PolarHBondContact O-N 2.91Å; D54-N58 PolarHBondContact O-N 3.36Å |
| 55 | Q | 50.8 | Low | 48.2 | Very low | 127 Ų | 127 | 114.6 Ų | 114.6 | 59% | 0.593 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.8 | -45.1 | 173.4 | -82.2 | -177.6 | -18.6 | 0 | 0 | 111.1 | P52 R57 N58 E59 | P52-Q55 PolarHBondContact O-N 3.27Å; Q55-R57 VanDerWaalsContact C-N 3.32Å; Q55-R57 PolarHBondContact O-N 3.5Å; Q55-N58 PolarHBondContact O-N 3.35Å; Q55-E59 WeakPolarHBondContact O-CB 3.1Å; Q55-E59 WeakPolarHBondContact O-CG 3.48Å; Q55-E59 PolarHBondContact O-N 2.85Å |
| 56 | M | 50.9 | Low | 48.4 | Very low | 112 Ų | 112 | 115.4 Ų | 115.4 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.8 | -42.4 | 174.7 | -70.6 | -173.3 | -180 | 0 | 0 | 111.1 | P52 M53 N58 E59 Y60 | P52-M56 PolarHBondContact O-N 2.78Å; M53-M56 PolarHBondContact O-N 2.96Å; M56-N58 PolarHBondContact O-N 3.03Å; M56-E59 PolarHBondContact O-N 3.15Å; M56-Y60 HydrophobicContact CB-CD2 4.39Å; M56-Y60 HydrophobicContact CB-CE2 4.17Å; M56-Y60 WeakPolarHBondContact O-CD2 2.95Å; M56-Y60 PolarHBondContact O-N 2.76Å |
| 57 | R | 50.3 | Low | 48.4 | Very low | 163 Ų | 163 | 118.7 Ų | 118.7 | 62% | 0.615 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.8 | -42.2 | 177.4 | -160.7 | 172.8 | 102.1 | -170.5 | 4.2 | 112.8 | M53 D54 Q55 E61 | M53-R57 PolarHBondContact O-N 2.91Å; D54-R57 PolarHBondContact O-N 2.91Å; Q55-R57 VanDerWaalsContact C-N 3.32Å; Q55-R57 PolarHBondContact O-N 3.5Å; R57-E61 PolarHBondContact O-N 3.41Å |
| 58 | N | 50.6 | Low | 48.3 | Very low | 97 Ų | 97 | 120 Ų | 120 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.3 | -34.3 | 178.3 | -78.9 | -16.4 | 0 | 0 | 0 | 113.1 | D54 Q55 M56 E61 T62 | D54-N58 PolarHBondContact O-N 3.36Å; Q55-N58 PolarHBondContact O-N 3.35Å; M56-N58 PolarHBondContact O-N 3.03Å; N58-E61 PolarHBondContact O-N 3.02Å; N58-T62 WeakPolarHBondContact O-CB 3.49Å; N58-T62 WeakPolarHBondContact O-CG2 3.41Å; N58-T62 PolarHBondContact O-N 3.27Å; N58-T62 VanDerWaalsContact O-N 3.12Å; N58-T62 PolarHBondContact O-OG1 3.33Å |
| 59 | E | 52 | Low | 48 | Very low | 113 Ų | 113 | 126 Ų | 126 | 53% | 0.528 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.8 | -36.9 | 175.6 | -74.7 | 179.6 | -168.6 | 0 | 0 | 112.1 | Q55 M56 T62 N63 | Q55-E59 WeakPolarHBondContact O-CB 3.1Å; Q55-E59 WeakPolarHBondContact O-CG 3.48Å; Q55-E59 PolarHBondContact O-N 2.85Å; M56-E59 PolarHBondContact O-N 3.15Å; E59-T62 PolarHBondContact O-N 3.42Å; E59-N63 WeakPolarHBondContact O-CB 3.38Å; E59-N63 PolarHBondContact O-N 3.05Å; E59-N63 PolarHBondContact O-ND2 3.12Å |
| 60 | Y | 46.4 | Very low | 47.7 | Very low | 171 Ų | 171 | 128 Ų | 128 | 67% | 0.671 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.7 | -30.6 | 176.4 | -74.8 | -65.3 | 0 | 0 | 0 | 113.2 | M56 | M56-Y60 HydrophobicContact CB-CD2 4.39Å; M56-Y60 HydrophobicContact CB-CE2 4.17Å; M56-Y60 WeakPolarHBondContact O-CD2 2.95Å; M56-Y60 PolarHBondContact O-N 2.76Å |
| 61 | E | 48.7 | Very low | 47.6 | Very low | 129 Ų | 129 | 124 Ų | 124 | 60% | 0.603 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.3 | -33.8 | 174 | -77.4 | -168.7 | 169.2 | 0 | 0 | 112.9 | R57 N58 L65 | R57-E61 PolarHBondContact O-N 3.41Å; N58-E61 PolarHBondContact O-N 3.02Å; E61-L65 WeakPolarHBondContact O-CD1 3.45Å; E61-L65 WeakPolarHBondContact O-CG 3.49Å |
| 62 | T | 49.2 | Very low | 47.3 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 58% | 0.583 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -88.7 | -36.6 | -173.4 | 50.9 | 0 | 0 | 0 | 0 | 114 | N58 E59 | N58-T62 WeakPolarHBondContact O-CB 3.49Å; N58-T62 WeakPolarHBondContact O-CG2 3.41Å; N58-T62 PolarHBondContact O-N 3.27Å; N58-T62 VanDerWaalsContact O-N 3.12Å; N58-T62 PolarHBondContact O-OG1 3.33Å; E59-T62 PolarHBondContact O-N 3.42Å |
| 63 | N | 47.8 | Very low | 47 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 63% | 0.626 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -82.3 | -20.6 | -176 | -72.7 | -38.9 | 0 | 0 | 0 | 114.3 | E59 | E59-N63 WeakPolarHBondContact O-CB 3.38Å; E59-N63 PolarHBondContact O-N 3.05Å; E59-N63 PolarHBondContact O-ND2 3.12Å |
| 64 | N | 43.6 | Very low | 46.4 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -91.1 | -2.2 | -177.2 | -106.8 | -14.6 | 0 | 0 | 0 | 114.9 | Q66 | N64-Q66 VanDerWaalsContact C-N 3.33Å; N64-Q66 PolarHBondContact O-N 3.5Å |
| 65 | L | 48.5 | Very low | 46.2 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 62% | 0.618 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -79 | -12.7 | 179 | -73.3 | 169.9 | 0 | 0 | 0 | 113.9 | E61 Y67 | E61-L65 WeakPolarHBondContact O-CD1 3.45Å; E61-L65 WeakPolarHBondContact O-CG 3.49Å; L65-Y67 VanDerWaalsContact C-N 3.3Å; L65-Y67 PolarHBondContact O-N 3.5Å |
| 66 | Q | 50.8 | Low | 46.3 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -76.3 | -17.4 | -177.1 | -150.1 | 166.2 | 33.3 | 0 | 0 | 113.7 | N64 | N64-Q66 VanDerWaalsContact C-N 3.33Å; N64-Q66 PolarHBondContact O-N 3.5Å |
| 67 | Y | 43.7 | Very low | 45.7 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 75% | 0.745 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -117.3 | 21.9 | 176 | -61.5 | -74.9 | 0 | 0 | 0 | 113.4 | L65 Y69 | L65-Y67 VanDerWaalsContact C-N 3.3Å; L65-Y67 PolarHBondContact O-N 3.5Å; Y67-Y69 PolarHBondContact O-N 3.05Å |
| 68 | L | 45.5 | Very low | 45.6 | Very low | 132 Ų | 132 | 139 Ų | 139 | 69% | 0.691 | 70% | 0.704 | S | S | * | * | | | trans | -71.1 | 91.8 | 167.2 | -159.1 | 77.1 | 0 | 0 | 0 | 107.7 | T70 | L68-T70 PolarHBondContact O-N 3.48Å; L68-T70 VanDerWaalsContact O-N 3.11Å |
| 69 | Y | 40 | Very low | 45.3 | Very low | 217 Ų | 217 | 140.8 Ų | 140.8 | 85% | 0.851 | 72% | 0.719 | S | S | * | * | | | trans | -37.3 | 119.8 | 166.2 | -90.2 | -100.3 | 0 | 0 | 0 | 108.8 | Y67 A71 | Y67-Y69 PolarHBondContact O-N 3.05Å; Y69-A71 VanDerWaalsContact C-N 3.28Å; Y69-A71 PolarHBondContact O-N 3.18Å |
| 70 | T | 42.1 | Very low | 44.8 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 86% | 0.859 | 73% | 0.728 | S | S | * | * | | | trans | -59.6 | 93 | 173.5 | 44.2 | 0 | 0 | 0 | 0 | 108.3 | L68 | L68-T70 PolarHBondContact O-N 3.48Å; L68-T70 VanDerWaalsContact O-N 3.11Å |
| 71 | A | 46.4 | Very low | 44.7 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 59% | 0.587 | 73% | 0.728 | S | S | * | * | | | trans | -58.2 | 129.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y69 | Y69-A71 VanDerWaalsContact C-N 3.28Å; Y69-A71 PolarHBondContact O-N 3.18Å |
| 72 | P | 42.6 | Very low | 44.8 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | | | trans | -55.9 | 142.1 | -169.7 | 18 | -29.9 | 0 | 0 | 0 | 112 | Y74 | P72-Y74 WeakPolarHBondContact O-CD2 3.28Å; P72-Y74 PolarHBondContact O-N 3.36Å |
| 73 | D | 44.7 | Very low | 44.8 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | | | trans | -53.5 | 86.1 | -170.9 | -60.6 | -51.5 | 0 | 0 | 0 | 113.1 | | |
| 74 | Y | 36.5 | Very low | 44.7 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -73.2 | 131.3 | 155.4 | -69.5 | -78.8 | 0 | 0 | 0 | 107.3 | P72 R76 | P72-Y74 WeakPolarHBondContact O-CD2 3.28Å; P72-Y74 PolarHBondContact O-N 3.36Å; Y74-R76 VanDerWaalsContact C-N 3.35Å; Y74-R76 PolarHBondContact O-N 3.01Å |
| 75 | P | 40.3 | Very low | 45.1 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | | | trans | -63.4 | 97.5 | 177.5 | 25.1 | -32.3 | 0 | 0 | 0 | 108.9 | | |
| 76 | R | 52.7 | Low | 45.2 | Very low | 202 Ų | 202 | 144.9 Ų | 144.9 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -84.4 | 129.1 | 172.1 | -62.2 | -176.7 | -173.5 | -165 | 1.6 | 107.1 | Y74 V78 | Y74-R76 VanDerWaalsContact C-N 3.35Å; Y74-R76 PolarHBondContact O-N 3.01Å; R76-V78 PolarHBondContact O-N 2.85Å |
| 77 | P | 38.4 | Very low | 45 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | trans | -59.8 | 116.5 | 175.4 | 22.4 | -29.9 | 0 | 0 | 0 | 109 | V79 | P77-V79 PolarHBondContact O-N 2.93Š|
| 78 | V | 47.8 | Very low | 45.4 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -69.9 | 100.1 | -179.9 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | R76 S80 | R76-V78 PolarHBondContact O-N 2.85Å; V78-S80 PolarHBondContact O-N 3.04Å; V78-S80 VanDerWaalsContact O-N 3.15Å |
| 79 | V | 43.2 | Very low | 45.5 | Very low | 136 Ų | 136 | 142 Ų | 142 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | trans | -78.1 | 95.2 | 163.6 | -173 | 0 | 0 | 0 | 0 | 105.9 | P77 S81 | P77-V79 PolarHBondContact O-N 2.93Å; V79-S81 PolarHBondContact O-N 3.47Å |
| 80 | S | 41.5 | Very low | 45.8 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | -61.7 | 107.7 | 177.1 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | V78 | V78-S80 PolarHBondContact O-N 3.04Å; V78-S80 VanDerWaalsContact O-N 3.15Å |
| 81 | S | 45.8 | Very low | 46.3 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | | | trans | -75.9 | 124.9 | 170.3 | 169.7 | 0 | 0 | 0 | 0 | 109.5 | V79 F83 | V79-S81 PolarHBondContact O-N 3.47Å; S81-F83 VanDerWaalsContact C-N 3.26Å; S81-F83 PolarHBondContact O-N 3.29Å |
| 82 | S | 50.2 | Low | 46.4 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | | | trans | -85.3 | 17.6 | -179.9 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | K84 | S82-K84 PolarHBondContact O-N 2.97Š|
| 83 | F | 48.1 | Very low | 46.5 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | -77.7 | 103.3 | -179.4 | -98.8 | -91 | 0 | 0 | 0 | 111.6 | S81 | S81-F83 VanDerWaalsContact C-N 3.26Å; S81-F83 PolarHBondContact O-N 3.29Å |
| 84 | K | 45.6 | Very low | 46.8 | Very low | 188 Ų | 188 | 148.4 Ų | 148.4 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 133.6 | 162.3 | -88.5 | -177.4 | 175.2 | -179.6 | 0 | 109.1 | S82 I86 | S82-K84 PolarHBondContact O-N 2.97Å; K84-I86 PolarHBondContact O-N 3.28Å |
| 85 | P | 52.9 | Low | 47.2 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 127.4 | -179.3 | 25.1 | -32.4 | 0 | 0 | 0 | 110.9 | N87 | P85-N87 PolarHBondContact O-N 3.42Š|
| 86 | I | 50.3 | Low | 47.2 | Very low | 134 Ų | 134 | 150 Ų | 150 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 120.2 | 174 | -80.6 | 170.7 | 0 | 0 | 0 | 108.3 | K84 | K84-I86 PolarHBondContact O-N 3.28Š|
| 87 | N | 47.4 | Very low | 46.9 | Very low | 121 Ų | 121 | 152.2 Ų | 152.2 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 126.7 | 177.9 | 23.6 | -18.7 | 0 | 0 | 0 | 112.2 | P85 D89 | P85-N87 PolarHBondContact O-N 3.42Å; N87-D89 PolarHBondContact O-N 2.92Å |
| 88 | E | 51 | Low | 47.3 | Very low | 167 Ų | 167 | 152 Ų | 152 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -62.7 | -8.4 | -169.1 | -64.6 | 168.2 | 167.7 | 0 | 0 | 115 | M90 I91 | E88-M90 PolarHBondContact O-N 3.46Å; E88-M90 VanDerWaalsContact O-N 3.15Å; E88-I91 PolarHBondContact O-N 3.18Å |
| 89 | D | 48.9 | Very low | 47.3 | Very low | 145 Ų | 145 | 151.1 Ų | 151.1 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -63.6 | -18.4 | 179.9 | -70.2 | -24.7 | 0 | 0 | 0 | 114 | N87 | N87-D89 PolarHBondContact O-N 2.92Š|
| 90 | M | 45.6 | Very low | 47.3 | Very low | 151 Ų | 151 | 155 Ų | 155 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -73.9 | -22 | 178.8 | -85.2 | -166.9 | 167.5 | 0 | 0 | 114.2 | E88 Q92 | E88-M90 PolarHBondContact O-N 3.46Å; E88-M90 VanDerWaalsContact O-N 3.15Å; M90-Q92 VanDerWaalsContact C-N 3.32Å; M90-Q92 PolarHBondContact O-N 2.74Å |
| 91 | I | 52.5 | Low | 47.3 | Very low | 124 Ų | 124 | 157.9 Ų | 157.9 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -73.4 | -24.5 | -169.3 | -61.9 | 176.4 | 0 | 0 | 0 | 112.2 | E88 R93 | E88-I91 PolarHBondContact O-N 3.18Å; I91-R93 PolarHBondContact O-N 3.38Å |
| 92 | Q | 47.4 | Very low | 47.6 | Very low | 180 Ų | 180 | 160.1 Ų | 160.1 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -78.1 | -16.9 | -175.9 | -69.3 | -171.7 | 8.2 | 0 | 0 | 115 | M90 | M90-Q92 VanDerWaalsContact C-N 3.32Å; M90-Q92 PolarHBondContact O-N 2.74Å |
| 93 | R | 45.9 | Very low | 47.4 | Very low | 225 Ų | 225 | 157.3 Ų | 157.3 | 85% | 0.849 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -83.2 | -19.8 | -173.4 | -89.8 | -170.8 | 178.1 | -171 | 0.8 | 115.8 | I91 | I91-R93 PolarHBondContact O-N 3.38Š|
| 94 | N | 51.1 | Low | 47.3 | Very low | 151 Ų | 151 | 157.7 Ų | 157.7 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -99.6 | 9.4 | -169.7 | -74.7 | -6.2 | 0 | 0 | 0 | 115.4 | Q96 | N94-Q96 VanDerWaalsContact C-N 3.31Å; N94-Q96 PolarHBondContact O-N 3.45Å |
| 95 | Q | 44.3 | Very low | 47.7 | Very low | 167 Ų | 167 | 157.9 Ų | 157.9 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | trans | -90.1 | 55.3 | 175 | -63.7 | -171.9 | -2.8 | 0 | 0 | 112.4 | R97 | Q95-R97 PolarHBondContact O-N 2.75Š|
| 96 | Q | 40.8 | Very low | 47.1 | Very low | 182 Ų | 182 | 159.7 Ų | 159.7 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -82.5 | 98.7 | 160.6 | -90 | -178 | -13.9 | 0 | 0 | 108.6 | N94 V98 | N94-Q96 VanDerWaalsContact C-N 3.31Å; N94-Q96 PolarHBondContact O-N 3.45Å; Q96-V98 PolarHBondContact O-N 3.42Å |
| 97 | R | 47 | Very low | 46.9 | Very low | 247 Ų | 247 | 162.7 Ų | 162.7 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | | | trans | -57.8 | 113.4 | 173 | -83.4 | 178.2 | 166.5 | -169.3 | -4.6 | 110.2 | Q95 | Q95-R97 PolarHBondContact O-N 2.75Š|
| 98 | V | 46.1 | Very low | 46.7 | Very low | 117 Ų | 117 | 162 Ų | 162 | 71% | 0.709 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -78 | 123.5 | 166.5 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | Q96 | Q96-V98 PolarHBondContact O-N 3.42Š|
| 99 | P | 48.1 | Very low | 46.3 | Very low | 116 Ų | 116 | 157.5 Ų | 157.5 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77 | 124.2 | 179.7 | 28.3 | -30.9 | 0 | 0 | 0 | 111.2 | | |
| 100 | Y | 42.5 | Very low | 46 | Very low | 216 Ų | 216 | 160 Ų | 160 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72 | 129.7 | 177.4 | -59.5 | -86.8 | 0 | 0 | 0 | 111.1 | | |
| 101 | N | 41.4 | Very low | 46.2 | Very low | 164 Ų | 164 | 161 Ų | 161 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | | | trans | -92.9 | 101.3 | 175.7 | -147.9 | 21.5 | 0 | 0 | 0 | 108.6 | G103 | N101-G103 PolarHBondContact O-N 3.21Š|
| 102 | V | 52.3 | Low | 45.7 | Very low | 144 Ų | 144 | 162.4 Ų | 162.4 | 87% | 0.873 | 84% | 0.836 | S | S | * | * | | | trans | -83.4 | 51.1 | -173.5 | -166.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 103 | G | 45.4 | Very low | 45.5 | Very low | 60 Ų | 60 | 159 Ų | 159 | 62% | 0.619 | 83% | 0.833 | S | S | * | * | | | trans | -98.7 | -23 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | N101 | N101-G103 PolarHBondContact O-N 3.21Š|
| 104 | E | 46.6 | Very low | 45.7 | Very low | 188 Ų | 188 | 154 Ų | 154 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | | | trans | -148.6 | 78.6 | -165.2 | -66.9 | 179.1 | -179.7 | 0 | 0 | 111.9 | | |
| 105 | M | 53.5 | Low | 45.4 | Very low | 193 Ų | 193 | 152 Ų | 152 | 95% | 0.951 | 82% | 0.824 | S | S | * | * | | | trans | -144.6 | 53.6 | 162.3 | -76.3 | -169.6 | 177.3 | 0 | 0 | 110.1 | | |
| 106 | D | 41.5 | Very low | 45.8 | Very low | 162 Ų | 162 | 151.7 Ų | 151.7 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | | | trans | -100.8 | 135 | 154.8 | -87.5 | -32.1 | 0 | 0 | 0 | 107.3 | | |
| 107 | E | 44.6 | Very low | 46.1 | Very low | 196 Ų | 196 | 150 Ų | 150 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | | | trans | 85.3 | 53.6 | 169.6 | -52.3 | -172.9 | 156.1 | 0 | 0 | 119.3 | | |
| 108 | A | 45 | Very low | 46.4 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | | | trans | -90.1 | 105.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 109 | G | 42.2 | Very low | 46.5 | Very low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | | | trans | -65.7 | 150.2 | -160.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | L111 | G109-L111 PolarHBondContact O-N 3.06Š|
| 110 | K | 42.5 | Very low | 46.7 | Very low | 198 Ų | 198 | 144.3 Ų | 144.3 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | | | trans | 1.3 | 106 | 154.9 | -81.9 | 172.5 | 171.2 | 173.2 | 0 | 115.4 | N112 | K110-N112 PolarHBondContact O-N 2.98Š|
| 111 | L | 50.1 | Low | 47.2 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | | | trans | -46.2 | 107.8 | 156.9 | -76.5 | 129.7 | 0 | 0 | 0 | 110.1 | G109 S113 | G109-L111 PolarHBondContact O-N 3.06Å; L111-S113 PolarHBondContact O-N 3.22Å |
| 112 | N | 42 | Very low | 47.7 | Very low | 152 Ų | 152 | 147 Ų | 147 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | trans | -66.9 | 112.6 | 161.6 | -70.1 | -41.2 | 0 | 0 | 0 | 106.9 | K110 | K110-N112 PolarHBondContact O-N 2.98Š|
| 113 | S | 43.5 | Very low | 47.6 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 129.5 | 170.7 | -51.6 | 0 | 0 | 0 | 0 | 108.9 | L111 | L111-S113 PolarHBondContact O-N 3.22Š|
| 114 | P | 48.7 | Very low | 47.8 | Very low | 118 Ų | 118 | 155.7 Ų | 155.7 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 146.1 | -179.1 | 23.5 | -31.4 | 0 | 0 | 0 | 110.7 | | |
| 115 | P | 44.8 | Very low | 48.1 | Very low | 109 Ų | 109 | 155.5 Ų | 155.5 | 71% | 0.708 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 141.9 | -175.8 | 26.5 | -32.7 | 0 | 0 | 0 | 112 | D117 | P115-D117 PolarHBondContact O-N 3Š|
| 116 | D | 53 | Low | 48.3 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | -75.5 | 67.4 | -177 | -162.2 | 16.7 | 0 | 0 | 0 | 110.8 | G118 | D116-G118 VanDerWaalsContact C-N 3.35Å; D116-G118 PolarHBondContact O-N 3.05Å |
| 117 | D | 48.4 | Very low | 48.8 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | | | trans | -79.1 | 87.1 | 174.4 | -79 | -14.6 | 0 | 0 | 0 | 109.5 | P115 E119 | P115-D117 PolarHBondContact O-N 3Å; D117-E119 VanDerWaalsContact C-N 3.26Å; D117-E119 PolarHBondContact O-N 3.29Å |
| 118 | G | 52.3 | Low | 49.1 | Very low | 71 Ų | 71 | 147.3 Ų | 147.3 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | | | trans | -68.9 | 61.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D116 | D116-G118 VanDerWaalsContact C-N 3.35Å; D116-G118 PolarHBondContact O-N 3.05Å |
| 119 | E | 49.1 | Very low | 49.2 | Very low | 169 Ų | 169 | 150 Ų | 150 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -114.9 | 88.3 | 170 | -69 | -163.7 | 174.3 | 0 | 0 | 111.8 | D117 K121 | D117-E119 VanDerWaalsContact C-N 3.26Å; D117-E119 PolarHBondContact O-N 3.29Å; E119-K121 VanDerWaalsContact C-N 3.29Å; E119-K121 PolarHBondContact O-N 3.45Å |
| 120 | D | 52 | Low | 49.4 | Very low | 122 Ų | 122 | 154.6 Ų | 154.6 | 65% | 0.652 | 79% | 0.793 | S | S | * | * | | | | 43.2 | 37.4 | 127.3 | -97.4 | 10.5 | 0 | 0 | 0 | 118.9 | Y122 R123 | D120-Y122 PolarHBondContact O-N 3.35Å; D120-R123 HydrophobicContact CB-CB 4.27Å; D120-R123 VanDerWaalsContact O-CB 3.25Å; D120-R123 WeakPolarHBondContact O-CB 3.49Å; D120-R123 PolarHBondContact O-N 3.15Å |
| 121 | K | 52 | Low | 49.5 | Very low | 204 Ų | 204 | 152.7 Ų | 152.7 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -13.1 | 170.8 | -71.8 | -172 | -179.1 | -178.4 | 0 | 113.6 | E119 | E119-K121 VanDerWaalsContact C-N 3.29Å; E119-K121 PolarHBondContact O-N 3.45Å |
| 122 | Y | 52.7 | Low | 49.6 | Very low | 231 Ų | 231 | 148.5 Ų | 148.5 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 16 | 174.1 | -58.3 | -74.1 | 0 | 0 | 0 | 113.8 | D120 R124 | D120-Y122 PolarHBondContact O-N 3.35Å; Y122-R124 PolarHBondContact O-N 3.38Å |
| 123 | R | 49.1 | Very low | 49.6 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | | | trans | -69.1 | 81.4 | 177.3 | -162.8 | 172.6 | -173 | -159.6 | 2.8 | 111.8 | D120 | D120-R123 HydrophobicContact CB-CB 4.27Å; D120-R123 VanDerWaalsContact O-CB 3.25Å; D120-R123 WeakPolarHBondContact O-CB 3.49Å; D120-R123 PolarHBondContact O-N 3.15Å |
| 124 | R | 49.6 | Very low | 49.8 | Very low | 190 Ų | 190 | 151.9 Ų | 151.9 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | trans | 66.9 | 104.8 | 147.6 | -55.5 | -173.5 | -176.7 | -139.7 | 1.6 | 118.1 | Y122 D126 | Y122-R124 PolarHBondContact O-N 3.38Å; R124-D126 HydrophobicContact CB-CB 4.38Å; R124-D126 PolarHBondContact O-N 3.21Å |
| 125 | L | 53.1 | Low | 49.6 | Very low | 184 Ų | 184 | 160.5 Ų | 160.5 | 96% | 0.963 | 80% | 0.795 | S | S | * | * | | | trans | -70.2 | 34.8 | 159.5 | -69.4 | 166.1 | 0 | 0 | 0 | 113.3 | S127 | L125-S127 VanDerWaalsContact C-N 3.31Å; L125-S127 PolarHBondContact O-N 3.33Å |
| 126 | D | 57.7 | Low | 49.8 | Very low | 126 Ų | 126 | 163.1 Ų | 163.1 | 67% | 0.674 | 80% | 0.799 | S | S | * | * | | | trans | -86.9 | 9.6 | -175.1 | -81.8 | -18.8 | 0 | 0 | 0 | 114 | R124 | R124-D126 HydrophobicContact CB-CB 4.38Å; R124-D126 PolarHBondContact O-N 3.21Å |
| 127 | S | 53.8 | Low | 49.6 | Very low | 102 Ų | 102 | 163.2 Ų | 163.2 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | | | trans | -137.1 | 59.4 | -173 | 71.1 | 0 | 0 | 0 | 0 | 115 | L125 | L125-S127 VanDerWaalsContact C-N 3.31Å; L125-S127 PolarHBondContact O-N 3.33Å |
| 128 | V | 49.3 | Very low | 49.7 | Very low | 150 Ų | 150 | 164.1 Ų | 164.1 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -138.8 | 63.2 | 144.8 | -164.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 129 | E | 47 | Very low | 49.6 | Very low | 165 Ų | 165 | 169.6 Ų | 169.6 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | | | trans | -77 | 142.7 | 164 | -162.7 | -169.4 | 157.2 | 0 | 0 | 109.9 | | |
| 130 | K | 47.2 | Very low | 49.6 | Very low | 168 Ų | 168 | 169.6 Ų | 169.6 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | | | trans | 93.3 | 83 | 150.3 | -129.4 | 166.1 | -170.8 | 164.2 | 0 | 119 | S132 | K130-S132 PolarHBondContact O-N 3.21Š|
| 131 | I | 44.6 | Very low | 49.4 | Very low | 158 Ų | 158 | 172.8 Ų | 172.8 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | -51 | 120.2 | 141.8 | -60.7 | 163.9 | 0 | 0 | 0 | 108 | V133 | I131-V133 HydrophobicContact CG2-CG2 3.98Š|
| 132 | S | 52.4 | Low | 49.2 | Very low | 85 Ų | 85 | 170.6 Ų | 170.6 | 59% | 0.594 | 81% | 0.806 | S | S | * | * | | | trans | -116.9 | 104.1 | 164 | 51.3 | 0 | 0 | 0 | 0 | 108.9 | K130 Y134 | K130-S132 PolarHBondContact O-N 3.21Å; S132-Y134 PolarHBondContact O-N 2.99Å |
| 133 | V | 41 | Very low | 49 | Very low | 127 Ų | 127 | 165.9 Ų | 165.9 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | -83.9 | 102.8 | 164.6 | 179.3 | 0 | 0 | 0 | 0 | 105.5 | I131 | I131-V133 HydrophobicContact CG2-CG2 3.98Š|
| 134 | Y | 49.1 | Very low | 49 | Very low | 205 Ų | 205 | 163.3 Ų | 163.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -92.8 | 124.8 | 164.9 | -83.5 | -84 | 0 | 0 | 0 | 108.3 | S132 | S132-Y134 PolarHBondContact O-N 2.99Š|
| 135 | Y | 43 | Very low | 48.9 | Very low | 299 Ų | 299 | 160.8 Ų | 160.8 | 100% | 1.173 | 81% | 0.81 | S | S | * | * | | | trans | -40.3 | 0 | 177.8 | -99.3 | -101.7 | 0 | 0 | 0 | 114.9 | | |