| 1 | R | 66.8 | Low | 70.9 | Confident | 292 Ų | 292 | 129.1 Ų | 129.1 | 100% | 1.102 | 72% | 0.72 | S | S | * | * | | | | 0 | 116.6 | 0 | -77.2 | -179 | 172.3 | -154.6 | -2.9 | 106.8 | | |
| 2 | T | 62.8 | Low | 70.6 | Confident | 108 Ų | 108 | 127.6 Ų | 127.6 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | | | trans | -76.4 | 124 | -178.6 | -50 | 0 | 0 | 0 | 0 | 109 | G4 S5 | T2-G4 PolarHBondContact O-N 3.45Å; T2-S5 PolarHBondContact O-N 3.03Å; T2-S5 PolarHBondContact O-OG 3.42Å; T2-S5 VanDerWaalsContact O-OG 3.1Å |
| 3 | P | 55.6 | Low | 70.2 | Confident | 128 Ų | 128 | 130.2 Ų | 130.2 | 83% | 0.831 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | 130.8 | 176.1 | -23.3 | 33.7 | 0 | 0 | 0 | 110.5 | | |
| 4 | G | 70.6 | Confident | 69.9 | Low | 80 Ų | 80 | 127.7 Ų | 127.7 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.5 | -5.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | T2 R6 | T2-G4 PolarHBondContact O-N 3.45Å; G4-R6 PolarHBondContact O-N 3.1Å |
| 5 | S | 73.9 | Confident | 69.8 | Low | 83 Ų | 83 | 128.5 Ų | 128.5 | 58% | 0.58 | 70% | 0.701 | S | S | * | * | | | trans | -70.9 | 106.1 | 170.4 | 66 | 0 | 0 | 0 | 0 | 109.3 | T2 Q7 | T2-S5 PolarHBondContact O-N 3.03Å; T2-S5 PolarHBondContact O-OG 3.42Å; T2-S5 VanDerWaalsContact O-OG 3.1Å; S5-Q7 PolarHBondContact O-N 2.78Å |
| 6 | R | 80.4 | Confident | 69.7 | Low | 235 Ų | 235 | 128.2 Ų | 128.2 | 89% | 0.887 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -64 | 133.7 | 168 | -57.7 | 179.4 | 90 | 179.3 | 4.8 | 107 | G4 | G4-R6 PolarHBondContact O-N 3.1Š|
| 7 | Q | 79.1 | Confident | 69.8 | Low | 175 Ų | 175 | 133.8 Ų | 133.8 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 131.4 | 169.4 | -74.7 | -150.3 | -84.8 | 0 | 0 | 107.8 | S5 | S5-Q7 PolarHBondContact O-N 2.78Š|
| 8 | P | 72.9 | Confident | 70 | Confident | 78 Ų | 78 | 132.7 Ų | 132.7 | 51% | 0.506 | 72% | 0.716 | S | S | . | * | P | Polyproline II helix | trans | -61 | 140.7 | 173.4 | 25.3 | -31.1 | 0 | 0 | 0 | 108.8 | E12 | P8-E12 WeakPolarHBondContact CA-OE2 3.46Å; P8-E12 HydrophobicContact CB-CB 3.95Å |
| 9 | S | 75.1 | Confident | 69.8 | Low | 64 Ų | 64 | 131.2 Ų | 131.2 | 45% | 0.448 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 152.3 | 171.9 | -55 | 0 | 0 | 0 | 0 | 109 | A11 E12 E13 | S9-A11 PolarHBondContact O-N 3.23Å; S9-E12 WeakPolarHBondContact CB-OE2 3.42Å; S9-E12 PolarHBondContact N-OE2 3.26Å; S9-E12 WeakPolarHBondContact O-CA 3.5Å; S9-E12 WeakPolarHBondContact O-CB 3.48Å; S9-E12 PolarHBondContact O-N 2.98Å; S9-E12 PolarHBondContact OG-OE2 3.14Å; S9-E13 PolarHBondContact O-N 3.44Å |
| 10 | P | 74.8 | Confident | 69.5 | Low | 114 Ų | 114 | 130.2 Ų | 130.2 | 74% | 0.74 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -53.6 | -28.2 | 177 | -28.3 | 35.4 | 0 | 0 | 0 | 114.1 | E12 E13 S14 | P10-E12 VanDerWaalsContact C-N 3.35Å; P10-E13 PolarHBondContact O-N 3.47Å; P10-S14 PolarHBondContact O-N 3.26Å; P10-S14 PolarHBondContact O-OG 3.15Å |
| 11 | A | 67.9 | Low | 69.2 | Low | 63 Ų | 63 | 132 Ų | 132 | 52% | 0.521 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -68.4 | -28.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | S9 S14 Q15 | S9-A11 PolarHBondContact O-N 3.23Å; A11-S14 WeakPolarHBondContact CA-OG 3.4Å; A11-S14 PolarHBondContact O-OG 3.25Å; A11-Q15 PolarHBondContact O-N 3.33Å |
| 12 | E | 67.3 | Low | 69.4 | Low | 111 Ų | 111 | 125 Ų | 125 | 52% | 0.519 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -82 | -18.7 | 177.3 | -61.8 | 177.4 | 98.7 | 0 | 0 | 111.8 | P8 S9 P10 | P8-E12 WeakPolarHBondContact CA-OE2 3.46Å; P8-E12 HydrophobicContact CB-CB 3.95Å; S9-E12 WeakPolarHBondContact CB-OE2 3.42Å; S9-E12 PolarHBondContact N-OE2 3.26Å; S9-E12 WeakPolarHBondContact O-CA 3.5Å; S9-E12 WeakPolarHBondContact O-CB 3.48Å; S9-E12 PolarHBondContact O-N 2.98Å; S9-E12 PolarHBondContact OG-OE2 3.14Å; P10-E12 VanDerWaalsContact C-N 3.35Å |
| 13 | E | 65.8 | Low | 69.4 | Low | 162 Ų | 162 | 126.6 Ų | 126.6 | 76% | 0.757 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -85.7 | -26.3 | 173.7 | -155.9 | 177.1 | 119.3 | 0 | 0 | 112.4 | S9 P10 | S9-E13 PolarHBondContact O-N 3.44Å; P10-E13 PolarHBondContact O-N 3.47Å |
| 14 | S | 65.2 | Low | 69.3 | Low | 95 Ų | 95 | 125.9 Ų | 125.9 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -88.2 | -12.4 | 178.3 | 33.2 | 0 | 0 | 0 | 0 | 113.7 | P10 A11 | P10-S14 PolarHBondContact O-N 3.26Å; P10-S14 PolarHBondContact O-OG 3.15Å; A11-S14 WeakPolarHBondContact CA-OG 3.4Å; A11-S14 PolarHBondContact O-OG 3.25Å |
| 15 | Q | 69 | Low | 68.8 | Low | 139 Ų | 139 | 128 Ų | 128 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -83 | 134.6 | 169.3 | -78.3 | -174.5 | 7.2 | 0 | 0 | 111.1 | A11 R17 | A11-Q15 PolarHBondContact O-N 3.33Å; Q15-R17 PolarHBondContact O-N 3.06Å |
| 16 | P | 67.6 | Low | 68.5 | Low | 124 Ų | 124 | 130.1 Ų | 130.1 | 81% | 0.805 | 70% | 0.697 | S | S | * | * | | | trans | -60 | 115.3 | 169.8 | 25 | -31.2 | 0 | 0 | 0 | 108.1 | | |
| 17 | R | 71.9 | Confident | 67.4 | Low | 224 Ų | 224 | 124.8 Ų | 124.8 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 130 | 177.7 | -72.6 | -170.6 | -79.4 | -148.3 | -5.6 | 108.6 | Q15 | Q15-R17 PolarHBondContact O-N 3.06Š|
| 18 | P | 72.8 | Confident | 66.4 | Low | 113 Ų | 113 | 123.8 Ų | 123.8 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 137.4 | 178.7 | 23.6 | -32.4 | 0 | 0 | 0 | 108.9 | N20 | P18-N20 PolarHBondContact O-N 3.33Š|
| 19 | P | 67.8 | Low | 65.4 | Low | 105 Ų | 105 | 126.6 Ų | 126.6 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 127 | -179.7 | 23.2 | -32 | 0 | 0 | 0 | 109.1 | L21 | P19-L21 PolarHBondContact O-N 3.04Š|
| 20 | N | 63.4 | Low | 64.2 | Low | 110 Ų | 110 | 131.9 Ų | 131.9 | 59% | 0.588 | 71% | 0.714 | S | S | * | * | | | trans | -68.7 | 97.2 | -179.4 | -161.2 | 53 | 0 | 0 | 0 | 108.5 | P18 L22 F23 | P18-N20 PolarHBondContact O-N 3.33Å; N20-L22 PolarHBondContact O-N 3.33Å; N20-F23 PolarHBondContact O-N 2.88Å; N20-F23 VanDerWaalsContact O-N 3.14Å |
| 21 | L | 63.6 | Low | 63.1 | Low | 168 Ų | 168 | 135.3 Ų | 135.3 | 88% | 0.88 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -10.6 | -175.9 | -62.4 | 174.3 | 0 | 0 | 0 | 114.1 | P19 F23 | P19-L21 PolarHBondContact O-N 3.04Å; L21-F23 VanDerWaalsContact C-N 3.25Å; L21-F23 PolarHBondContact O-N 3.1Å |
| 22 | L | 69.9 | Low | 62.4 | Low | 145 Ų | 145 | 139.8 Ų | 139.8 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -15.8 | 176 | -116 | 81.3 | 0 | 0 | 0 | 113.9 | N20 | N20-L22 PolarHBondContact O-N 3.33Š|
| 23 | F | 62.6 | Low | 61.8 | Low | 142 Ų | 142 | 141.8 Ų | 141.8 | 62% | 0.623 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -127 | 131.3 | 175.4 | -60.9 | -79.5 | 0 | 0 | 0 | 109.1 | N20 L21 | N20-F23 PolarHBondContact O-N 2.88Å; N20-F23 VanDerWaalsContact O-N 3.14Å; L21-F23 VanDerWaalsContact C-N 3.25Å; L21-F23 PolarHBondContact O-N 3.1Å |
| 24 | P | 53.5 | Low | 61.3 | Low | 113 Ų | 113 | 141.3 Ų | 141.3 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133.1 | 175.2 | 23.3 | -31 | 0 | 0 | 0 | 108.7 | L26 | P24-L26 PolarHBondContact O-N 2.81Å; P24-L26 VanDerWaalsContact O-N 3.08Å |
| 25 | P | 60.3 | Low | 60.8 | Low | 124 Ų | 124 | 145.1 Ų | 145.1 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 118.6 | -177.5 | 23.2 | -31.7 | 0 | 0 | 0 | 109.3 | | |
| 26 | L | 68.6 | Low | 60 | Low | 129 Ų | 129 | 141.4 Ų | 141.4 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -69 | 136.5 | 169.2 | -70.2 | 170 | 0 | 0 | 0 | 108.2 | P24 F28 | P24-L26 PolarHBondContact O-N 2.81Å; P24-L26 VanDerWaalsContact O-N 3.08Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 HydrophobicContact CB-CD2 3.91Å; L26-F28 HydrophobicContact CB-CE2 3.79Å; L26-F28 HydrophobicContact CD1-CE2 4.16Å; L26-F28 PolarHBondContact O-N 2.88Å |
| 27 | P | 56.6 | Low | 59.3 | Low | 123 Ų | 123 | 144.4 Ų | 144.4 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | | | trans | -72.3 | 88.5 | -177.7 | 29.8 | -33.9 | 0 | 0 | 0 | 109.8 | | |
| 28 | F | 57.5 | Low | 57.8 | Low | 154 Ų | 154 | 137.6 Ų | 137.6 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | trans | -98.7 | 102.9 | 166 | -76.6 | -79.8 | 0 | 0 | 0 | 109.1 | L26 | L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 HydrophobicContact CB-CD2 3.91Å; L26-F28 HydrophobicContact CB-CE2 3.79Å; L26-F28 HydrophobicContact CD1-CE2 4.16Å; L26-F28 PolarHBondContact O-N 2.88Å |
| 29 | N | 51.4 | Low | 57 | Low | 137 Ų | 137 | 141.2 Ų | 141.2 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 57.2 | 60 | 157.9 | -54.1 | -53.4 | 0 | 0 | 0 | 117.9 | | |
| 30 | H | 50.9 | Low | 55.8 | Low | 175 Ų | 175 | 139.6 Ų | 139.6 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -91.4 | -5.1 | 154.6 | -69.5 | -67.7 | 0 | 0 | 0 | 113.3 | L32 M33 | H30-L32 PolarHBondContact O-N 2.94Å; H30-M33 PolarHBondContact O-N 2.92Å |
| 31 | M | 50.8 | Low | 55.3 | Low | 186 Ų | 186 | 138.8 Ų | 138.8 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 2.3 | 178.9 | -74 | -174.5 | -76.9 | 0 | 0 | 114.7 | | |
| 32 | L | 54.9 | Low | 54.4 | Low | 157 Ų | 157 | 134 Ų | 134 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 22.1 | 172.2 | -164.1 | 60.3 | 0 | 0 | 0 | 112.7 | H30 | H30-L32 PolarHBondContact O-N 2.94Š|
| 33 | M | 53.6 | Low | 53.6 | Low | 152 Ų | 152 | 136.3 Ų | 136.3 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | trans | -124.1 | 57.5 | 161.8 | -151.2 | 128.1 | -90.9 | 0 | 0 | 109 | H30 H35 | H30-M33 PolarHBondContact O-N 2.92Å; M33-H35 HydrophobicContact CG-CB 4.24Å; M33-H35 PolarHBondContact O-N 3.2Å |
| 34 | D | 55.3 | Low | 52.9 | Low | 153 Ų | 153 | 133.2 Ų | 133.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -60 | 61.5 | 148 | 177.4 | 46.3 | 0 | 0 | 0 | 109.7 | | |
| 35 | H | 55.8 | Low | 52.4 | Low | 175 Ų | 175 | 131.9 Ų | 131.9 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -146.7 | 58.2 | 176 | -136.3 | 75.8 | 0 | 0 | 0 | 111.1 | M33 | M33-H35 HydrophobicContact CG-CB 4.24Å; M33-H35 PolarHBondContact O-N 3.2Å |
| 36 | G | 51.1 | Low | 51.9 | Low | 60 Ų | 60 | 132.6 Ų | 132.6 | 62% | 0.619 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 148.4 | 58.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 37 | Q | 52.7 | Low | 50.8 | Low | 188 Ų | 188 | 132.8 Ų | 132.8 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -168.5 | 62.3 | 154.1 | -105.5 | 156.3 | 93.5 | 0 | 0 | 112.1 | M39 | Q37-M39 PolarHBondContact O-N 3.12Š|
| 38 | G | 41.3 | Very low | 50.1 | Low | 81 Ų | 81 | 130.6 Ų | 130.6 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | | | trans | -78.9 | 93.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | G40 | G38-G40 PolarHBondContact O-N 3.08Š|
| 39 | M | 54.8 | Low | 49.7 | Very low | 188 Ų | 188 | 129.4 Ų | 129.4 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | | | trans | -56.4 | 106.9 | 158.6 | -77.1 | -173.8 | 171.4 | 0 | 0 | 108.6 | Q37 | Q37-M39 PolarHBondContact O-N 3.12Š|
| 40 | G | 44.3 | Very low | 49 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | | | trans | -134.1 | 82.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109 | G38 G42 | G38-G40 PolarHBondContact O-N 3.08Å; G40-G42 PolarHBondContact O-N 3.39Å |
| 41 | G | 52.5 | Low | 49.3 | Very low | 93 Ų | 93 | 126 Ų | 126 | 96% | 0.959 | 83% | 0.83 | S | S | * | * | | | trans | -59.7 | 117.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 42 | G | 44.8 | Very low | 49.1 | Very low | 69 Ų | 69 | 120.6 Ų | 120.6 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | | | trans | -151.9 | 85.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | G40 G44 | G40-G42 PolarHBondContact O-N 3.39Å; G42-G44 PolarHBondContact O-N 2.79Å |
| 43 | L | 52.2 | Low | 48.6 | Very low | 193 Ų | 193 | 119.8 Ų | 119.8 | 100% | 1.01 | 82% | 0.823 | S | S | * | * | | | trans | -60.9 | 110.4 | 158.5 | -69 | 160.8 | 0 | 0 | 0 | 107.3 | | |
| 44 | G | 48.1 | Very low | 48 | Very low | 77 Ų | 77 | 116.5 Ų | 116.5 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | | | trans | -179.1 | 119.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | G42 | G42-G44 PolarHBondContact O-N 2.79Š|
| 45 | G | 43.6 | Very low | 47.5 | Very low | 84 Ų | 84 | 112.6 Ų | 112.6 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | | | trans | 110.1 | 86.9 | 147.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 46 | V | 48.3 | Very low | 47.3 | Very low | 139 Ų | 139 | 108.4 Ų | 108.4 | 84% | 0.842 | 83% | 0.828 | S | S | * | * | | | trans | -59.2 | 155.5 | 152.1 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 47 | V | 46.2 | Very low | 47 | Very low | 134 Ų | 134 | 111.1 Ų | 111.1 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | | | trans | 99.6 | 103.2 | 161.4 | -169.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 48 | G | 41.5 | Very low | 46.6 | Very low | 76 Ų | 76 | 106 Ų | 106 | 78% | 0.784 | 84% | 0.835 | S | S | * | * | | | trans | -156.7 | 77 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G50 | G48-G50 PolarHBondContact O-N 3.28Š|
| 49 | S | 49 | Very low | 46.6 | Very low | 129 Ų | 129 | 105.3 Ų | 105.3 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | | | trans | -52.8 | 128.4 | 169.5 | -73.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 50 | G | 38.2 | Very low | 46.2 | Very low | 71 Ų | 71 | 100.7 Ų | 100.7 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | | | trans | -165.3 | 102.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G48 G52 | G48-G50 PolarHBondContact O-N 3.28Å; G50-G52 PolarHBondContact O-N 3.12Å |
| 51 | N | 55.5 | Low | 46.4 | Very low | 171 Ų | 171 | 101 Ų | 101 | 91% | 0.914 | 83% | 0.832 | S | S | * | * | | | trans | -50.1 | 108.1 | 170.1 | -100.8 | 32.9 | 0 | 0 | 0 | 110.8 | | |
| 52 | G | 47.7 | Very low | 46.2 | Very low | 72 Ų | 72 | 99.7 Ų | 99.7 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | trans | -128.8 | 87.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | G50 | G50-G52 PolarHBondContact O-N 3.12Š|
| 53 | V | 43.7 | Very low | 46.5 | Very low | 140 Ų | 140 | 99.3 Ų | 99.3 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | -54.3 | 132.3 | 171.7 | -84.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 54 | G | 41.3 | Very low | 46.6 | Very low | 82 Ų | 82 | 92.9 Ų | 92.9 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | 87.9 | 138.9 | 141 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 55 | G | 44.2 | Very low | 47 | Very low | 72 Ų | 72 | 92.3 Ų | 92.3 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | 115.7 | 55.3 | 159 | 0 | 0 | 0 | 0 | 0 | 114.2 | S57 | G55-S57 PolarHBondContact O-N 3.19Š|
| 56 | G | 51.8 | Low | 47.7 | Very low | 87 Ų | 87 | 96 Ų | 96 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | | | trans | -58.3 | 96.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 57 | S | 44.5 | Very low | 48.2 | Very low | 116 Ų | 116 | 91.9 Ų | 91.9 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | | | trans | -105.1 | 106.1 | 147.9 | -84.7 | 0 | 0 | 0 | 0 | 104.1 | G55 | G55-S57 PolarHBondContact O-N 3.19Š|
| 58 | G | 44.4 | Very low | 49 | Very low | 80 Ų | 80 | 88.1 Ų | 88.1 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | | | | 66.7 | 85.6 | 55.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 59 | G | 42.3 | Very low | 50.6 | Low | 67 Ų | 67 | 90.3 Ų | 90.3 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | | | trans | 123.3 | 53.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G61 | G59-G61 PolarHBondContact O-N 2.77Š|
| 60 | G | 46.8 | Very low | 51.7 | Low | 92 Ų | 92 | 89.1 Ų | 89.1 | 95% | 0.948 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 121.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 61 | G | 47.1 | Very low | 53.4 | Low | 78 Ų | 78 | 92.6 Ų | 92.6 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.9 | -17.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | G59 | G59-G61 PolarHBondContact O-N 2.77Š|
| 62 | A | 48.7 | Very low | 54.4 | Low | 64 Ų | 64 | 90.5 Ų | 90.5 | 53% | 0.529 | 68% | 0.682 | S | S | . | * | | | trans | -113.2 | -5.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116 | G64 A65 Y66 | A62-G64 VanDerWaalsContact C-N 3.34Å; A62-G64 PolarHBondContact O-N 3.41Å; A62-A65 PolarHBondContact O-N 2.84Å; A62-Y66 WeakPolarHBondContact O-CB 3.5Å; A62-Y66 PolarHBondContact O-N 2.79Å |
| 63 | G | 51 | Low | 55.7 | Low | 62 Ų | 62 | 89 Ų | 89 | 64% | 0.639 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.6 | -35.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | A67 | G63-A67 WeakPolarHBondContact O-CB 3.24Å; G63-A67 PolarHBondContact O-N 3.43Å |
| 64 | G | 54.1 | Low | 57.1 | Low | 57 Ų | 57 | 85.1 Ų | 85.1 | 59% | 0.588 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.5 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A62 A67 A68 | A62-G64 VanDerWaalsContact C-N 3.34Å; A62-G64 PolarHBondContact O-N 3.41Å; G64-A67 PolarHBondContact O-N 3.38Å; G64-A68 VanDerWaalsContact O-CB 3.24Å; G64-A68 WeakPolarHBondContact O-CB 3.42Å; G64-A68 PolarHBondContact O-N 3.36Å |
| 65 | A | 57.1 | Low | 58.7 | Low | 66 Ų | 66 | 87.3 Ų | 87.3 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.2 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A62 H69 | A62-A65 PolarHBondContact O-N 2.84Å; A65-H69 WeakPolarHBondContact O-CB 3.42Å; A65-H69 PolarHBondContact O-N 2.91Å |
| 66 | Y | 57.9 | Low | 60.2 | Low | 161 Ų | 161 | 89.1 Ų | 89.1 | 63% | 0.631 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.9 | -42.2 | 174.8 | -159.5 | -95.9 | 0 | 0 | 0 | 111.4 | A62 H69 Q70 | A62-Y66 WeakPolarHBondContact O-CB 3.5Å; A62-Y66 PolarHBondContact O-N 2.79Å; Y66-H69 PolarHBondContact O-N 3.09Å; Y66-Q70 HydrophobicContact CD1-CG 4.03Å; Y66-Q70 HydrophobicContact CE1-CG 3.98Å; Y66-Q70 WeakPolarHBondContact O-CB 3.2Å; Y66-Q70 WeakPolarHBondContact O-CG 3.19Å; Y66-Q70 PolarHBondContact O-N 3.02Å |
| 67 | A | 59.7 | Low | 61 | Low | 53 Ų | 53 | 88.6 Ų | 88.6 | 44% | 0.438 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.5 | -43.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G63 G64 Q70 Q71 | G63-A67 WeakPolarHBondContact O-CB 3.24Å; G63-A67 PolarHBondContact O-N 3.43Å; G64-A67 PolarHBondContact O-N 3.38Å; A67-Q70 PolarHBondContact O-N 3.26Å; A67-Q71 WeakPolarHBondContact O-CG 3.43Å; A67-Q71 PolarHBondContact O-N 3.39Å |
| 68 | A | 62 | Low | 62.1 | Low | 55 Ų | 55 | 90.4 Ų | 90.4 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.1 | -39.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | G64 Q70 Q71 M72 | G64-A68 VanDerWaalsContact O-CB 3.24Å; G64-A68 WeakPolarHBondContact O-CB 3.42Å; G64-A68 PolarHBondContact O-N 3.36Å; A68-Q70 VanDerWaalsContact C-N 3.34Å; A68-Q71 PolarHBondContact O-N 2.76Å; A68-M72 WeakPolarHBondContact O-CB 3.36Å; A68-M72 PolarHBondContact O-N 2.99Å |
| 69 | H | 75.1 | Confident | 63.5 | Low | 122 Ų | 122 | 93.1 Ų | 93.1 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.5 | -40.5 | 174.9 | -173.9 | 80.8 | 0 | 0 | 0 | 111.4 | A65 Y66 M72 A73 | A65-H69 WeakPolarHBondContact O-CB 3.42Å; A65-H69 PolarHBondContact O-N 2.91Å; Y66-H69 PolarHBondContact O-N 3.09Å; H69-M72 PolarHBondContact O-N 2.99Å; H69-A73 VanDerWaalsContact O-CB 3.24Å; H69-A73 WeakPolarHBondContact O-CB 3.28Å; H69-A73 PolarHBondContact O-N 2.84Å |
| 70 | Q | 71.9 | Confident | 64.8 | Low | 103 Ų | 103 | 96.1 Ų | 96.1 | 48% | 0.481 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.8 | -40.2 | 175.6 | -73.4 | -69.7 | 92.1 | 0 | 0 | 112.2 | Y66 A67 A68 A74 | Y66-Q70 HydrophobicContact CD1-CG 4.03Å; Y66-Q70 HydrophobicContact CE1-CG 3.98Å; Y66-Q70 WeakPolarHBondContact O-CB 3.2Å; Y66-Q70 WeakPolarHBondContact O-CG 3.19Å; Y66-Q70 PolarHBondContact O-N 3.02Å; A67-Q70 PolarHBondContact O-N 3.26Å; A68-Q70 VanDerWaalsContact C-N 3.34Å; Q70-A74 WeakPolarHBondContact O-CB 3.44Å; Q70-A74 PolarHBondContact O-N 3.39Å |
| 71 | Q | 73.6 | Confident | 65.9 | Low | 145 Ų | 145 | 96.6 Ų | 96.6 | 68% | 0.678 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.7 | -40.1 | 175.3 | -71.9 | -173.2 | -18.7 | 0 | 0 | 112.2 | A67 A68 A74 Q75 | A67-Q71 WeakPolarHBondContact O-CG 3.43Å; A67-Q71 PolarHBondContact O-N 3.39Å; A68-Q71 PolarHBondContact O-N 2.76Å; Q71-A74 PolarHBondContact O-N 3.25Å; Q71-Q75 PolarHBondContact O-N 2.93Å |
| 72 | M | 78.4 | Confident | 67.3 | Low | 126 Ų | 126 | 98.9 Ų | 98.9 | 62% | 0.621 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.2 | -42.1 | 176.8 | -165 | 175.2 | -153.8 | 0 | 0 | 111.7 | A68 H69 A74 Q75 M76 | A68-M72 WeakPolarHBondContact O-CB 3.36Å; A68-M72 PolarHBondContact O-N 2.99Å; H69-M72 PolarHBondContact O-N 2.99Å; M72-A74 VanDerWaalsContact C-N 3.31Å; M72-A74 PolarHBondContact O-N 3.29Å; M72-Q75 PolarHBondContact O-N 3.4Å; M72-M76 VanDerWaalsContact O-CG 3.28Å; M72-M76 WeakPolarHBondContact O-CG 3.5Å; M72-M76 PolarHBondContact O-N 3.22Å |
| 73 | A | 74.8 | Confident | 68.5 | Low | 42 Ų | 42 | 104.6 Ų | 104.6 | 35% | 0.347 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.6 | -39.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H69 Q75 M76 S77 | H69-A73 VanDerWaalsContact O-CB 3.24Å; H69-A73 WeakPolarHBondContact O-CB 3.28Å; H69-A73 PolarHBondContact O-N 2.84Å; A73-Q75 VanDerWaalsContact C-N 3.31Å; A73-Q75 PolarHBondContact O-N 3.18Å; A73-M76 PolarHBondContact O-N 3.07Å; A73-S77 WeakPolarHBondContact O-CB 3.24Å; A73-S77 PolarHBondContact O-N 3.26Å |
| 74 | A | 72.9 | Confident | 69.4 | Low | 57 Ų | 57 | 108.9 Ų | 108.9 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.7 | -29.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q70 Q71 M72 Q78 | Q70-A74 WeakPolarHBondContact O-CB 3.44Å; Q70-A74 PolarHBondContact O-N 3.39Å; Q71-A74 PolarHBondContact O-N 3.25Å; M72-A74 VanDerWaalsContact C-N 3.31Å; M72-A74 PolarHBondContact O-N 3.29Å; A74-Q78 WeakPolarHBondContact O-CG 3.1Å; A74-Q78 PolarHBondContact O-NE2 2.99Å |
| 75 | Q | 74.4 | Confident | 70 | Confident | 129 Ų | 129 | 114 Ų | 114 | 60% | 0.603 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -77.5 | -41.5 | 171.6 | -73.9 | -179.9 | -9.1 | 0 | 0 | 111.9 | Q71 M72 A73 S77 Q78 | Q71-Q75 PolarHBondContact O-N 2.93Å; M72-Q75 PolarHBondContact O-N 3.4Å; A73-Q75 VanDerWaalsContact C-N 3.31Å; A73-Q75 PolarHBondContact O-N 3.18Å; Q75-S77 VanDerWaalsContact C-N 3.29Å; Q75-S77 PolarHBondContact O-N 3.4Å; Q75-Q78 WeakPolarHBondContact O-CB 3.4Å; Q75-Q78 WeakPolarHBondContact O-CG 3.48Å; Q75-Q78 PolarHBondContact O-N 3.19Å |
| 76 | M | 76.4 | Confident | 70.1 | Confident | 110 Ų | 110 | 113.9 Ų | 113.9 | 54% | 0.542 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.5 | -33.2 | 178.7 | -69.8 | -69.7 | -72.4 | 0 | 0 | 112.1 | M72 A73 Q78 L79 Q80 | M72-M76 VanDerWaalsContact O-CG 3.28Å; M72-M76 WeakPolarHBondContact O-CG 3.5Å; M72-M76 PolarHBondContact O-N 3.22Å; A73-M76 PolarHBondContact O-N 3.07Å; M76-Q78 PolarHBondContact O-N 3.06Å; M76-L79 PolarHBondContact O-N 3.37Å; M76-L79 HydrophobicContact SD-CD1 4.48Å; M76-Q80 WeakPolarHBondContact O-CG 3.18Å; M76-Q80 PolarHBondContact O-N 3.07Å; M76-Q80 VanDerWaalsContact O-N 3.07Å |
| 77 | S | 68.7 | Low | 69.7 | Low | 75 Ų | 75 | 111.8 Ų | 111.8 | 52% | 0.524 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.6 | -23.5 | 176.6 | -151.4 | 0 | 0 | 0 | 0 | 113.2 | A73 Q75 | A73-S77 WeakPolarHBondContact O-CB 3.24Å; A73-S77 PolarHBondContact O-N 3.26Å; Q75-S77 VanDerWaalsContact C-N 3.29Å; Q75-S77 PolarHBondContact O-N 3.4Å |
| 78 | Q | 66.7 | Low | 69.5 | Low | 154 Ų | 154 | 112.9 Ų | 112.9 | 72% | 0.72 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -79.2 | -24 | 175.1 | -40.3 | 176.1 | 21.1 | 0 | 0 | 112.1 | A74 Q75 M76 | A74-Q78 WeakPolarHBondContact O-CG 3.1Å; A74-Q78 PolarHBondContact O-NE2 2.99Å; Q75-Q78 WeakPolarHBondContact O-CB 3.4Å; Q75-Q78 WeakPolarHBondContact O-CG 3.48Å; Q75-Q78 PolarHBondContact O-N 3.19Å; M76-Q78 PolarHBondContact O-N 3.06Å |
| 79 | L | 73.5 | Confident | 69.1 | Low | 137 Ų | 137 | 113.6 Ų | 113.6 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -93.3 | -10.7 | 178.5 | -66.5 | 170.7 | 0 | 0 | 0 | 112.2 | M76 P81 | M76-L79 PolarHBondContact O-N 3.37Å; M76-L79 HydrophobicContact SD-CD1 4.48Å; L79-P81 WeakPolarHBondContact O-CD 3.4Å |
| 80 | Q | 69.2 | Low | 68.3 | Low | 130 Ų | 130 | 110.4 Ų | 110.4 | 61% | 0.607 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -71.5 | 113.1 | 173 | -75.2 | -178.3 | -61.1 | 0 | 0 | 108.5 | M76 | M76-Q80 WeakPolarHBondContact O-CG 3.18Å; M76-Q80 PolarHBondContact O-N 3.07Å; M76-Q80 VanDerWaalsContact O-N 3.07Å |
| 81 | P | 70.5 | Confident | 67.3 | Low | 103 Ų | 103 | 113.7 Ų | 113.7 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | | | trans | -60.1 | 140.6 | 173.7 | 26.3 | -32.7 | 0 | 0 | 0 | 108.3 | L79 M83 | L79-P81 WeakPolarHBondContact O-CD 3.4Å; P81-M83 PolarHBondContact O-N 3.06Å |
| 82 | P | 76.1 | Confident | 66.2 | Low | 126 Ų | 126 | 112.7 Ų | 112.7 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | | | trans | -56.7 | 114.7 | 174.6 | 21.6 | -30.2 | 0 | 0 | 0 | 107.8 | M84 | P82-M84 PolarHBondContact O-N 2.88Š|
| 83 | M | 73.8 | Confident | 65 | Low | 183 Ų | 183 | 115.6 Ų | 115.6 | 90% | 0.901 | 69% | 0.693 | S | S | * | * | | | trans | -63.6 | 108.3 | 170.5 | -66.4 | -154.8 | -66.2 | 0 | 0 | 105.9 | P81 N85 | P81-M83 PolarHBondContact O-N 3.06Å; M83-N85 PolarHBondContact O-N 2.71Å |
| 84 | M | 71 | Confident | 64.2 | Low | 153 Ų | 153 | 117.7 Ų | 117.7 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | | | trans | -54.3 | 106.8 | 172.2 | -170.1 | 91.2 | 77.2 | 0 | 0 | 106.2 | P82 G86 V87 | P82-M84 PolarHBondContact O-N 2.88Å; M84-G86 WeakPolarHBondContact O-CA 3.37Å; M84-G86 PolarHBondContact O-N 3.48Å; M84-V87 HydrophobicContact CG-CG2 4.05Å |
| 85 | N | 66 | Low | 63.3 | Low | 164 Ų | 164 | 118.9 Ų | 118.9 | 88% | 0.877 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -51.7 | 118.2 | 174.2 | -149.6 | 6.1 | 0 | 0 | 0 | 106.1 | M83 V87 | M83-N85 PolarHBondContact O-N 2.71Å; N85-V87 PolarHBondContact O-N 2.79Å |
| 86 | G | 58.8 | Low | 62.1 | Low | 63 Ų | 63 | 122.1 Ų | 122.1 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | | | trans | -42.6 | 115.7 | -145.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | M84 G88 | M84-G86 WeakPolarHBondContact O-CA 3.37Å; M84-G86 PolarHBondContact O-N 3.48Å; G86-G88 PolarHBondContact O-N 3.38Å |
| 87 | V | 49.9 | Very low | 61.3 | Low | 118 Ų | 118 | 121.3 Ų | 121.3 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | | | trans | -76.6 | 54.3 | 146.3 | -176 | 0 | 0 | 0 | 0 | 107.9 | M84 N85 | M84-V87 HydrophobicContact CG-CG2 4.05Å; N85-V87 PolarHBondContact O-N 2.79Å |
| 88 | G | 55.2 | Low | 60.5 | Low | 76 Ų | 76 | 123.1 Ų | 123.1 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | | | trans | -98.3 | 81.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | G86 | G86-G88 PolarHBondContact O-N 3.38Š|
| 89 | G | 55.1 | Low | 60.2 | Low | 70 Ų | 70 | 124.7 Ų | 124.7 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 166.7 | 65.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 90 | G | 58.7 | Low | 59.5 | Low | 54 Ų | 54 | 125.9 Ų | 125.9 | 56% | 0.557 | 77% | 0.766 | S | S | * | * | | | trans | 88 | 98.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 91 | M | 50.2 | Low | 58.7 | Low | 173 Ų | 173 | 125 Ų | 125 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | | | trans | -178.1 | 101.8 | 135.1 | -98.4 | 168.6 | -88.3 | 0 | 0 | 105.9 | M93 | M91-M93 PolarHBondContact O-N 2.93Š|
| 92 | P | 49.4 | Very low | 57.6 | Low | 124 Ų | 124 | 127.5 Ų | 127.5 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | | | trans | -60.4 | 116.4 | 158.8 | 27.2 | -29.3 | 0 | 0 | 0 | 104.9 | A94 | P92-A94 PolarHBondContact O-N 3.36Š|
| 93 | M | 53.6 | Low | 56.5 | Low | 186 Ų | 186 | 129.1 Ų | 129.1 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | | | trans | -60.2 | 90.5 | 162.5 | -82.7 | -82.8 | -74.9 | 0 | 0 | 105.7 | M91 A95 | M91-M93 PolarHBondContact O-N 2.93Å; M93-A95 PolarHBondContact O-N 3.33Å |
| 94 | A | 58.5 | Low | 55.1 | Low | 86 Ų | 86 | 122.9 Ų | 122.9 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | trans | -58.8 | 130.5 | 176 | 0 | 0 | 0 | 0 | 0 | 107.7 | P92 | P92-A94 PolarHBondContact O-N 3.36Š|
| 95 | A | 54.2 | Low | 54.3 | Low | 83 Ų | 83 | 121.1 Ų | 121.1 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | | | trans | 60.6 | 87.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | M93 S97 | M93-A95 PolarHBondContact O-N 3.33Å; A95-S97 VanDerWaalsContact C-N 3.27Å; A95-S97 PolarHBondContact O-N 3.04Å |
| 96 | Q | 48.8 | Very low | 53.4 | Low | 197 Ų | 197 | 115.2 Ų | 115.2 | 92% | 0.921 | 73% | 0.73 | S | S | * | * | | | trans | -59.6 | 100.3 | 139.9 | -74.9 | 176.6 | -32.7 | 0 | 0 | 107.1 | | |
| 97 | S | 59.1 | Low | 53.2 | Low | 93 Ų | 93 | 118.5 Ų | 118.5 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | trans | -58.8 | 130.5 | 170.5 | -53.3 | 0 | 0 | 0 | 0 | 108.8 | A95 M99 | A95-S97 VanDerWaalsContact C-N 3.27Å; A95-S97 PolarHBondContact O-N 3.04Å; S97-M99 PolarHBondContact O-N 3.36Å; S97-M99 VanDerWaalsContact O-N 3.09Å |
| 98 | P | 51.5 | Low | 53.3 | Low | 112 Ų | 112 | 120.1 Ų | 120.1 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | -65.3 | 113.4 | 164.8 | 26.7 | -29.2 | 0 | 0 | 0 | 106.5 | L100 | P98-L100 PolarHBondContact O-N 2.99Š|
| 99 | M | 62.2 | Low | 53.4 | Low | 187 Ų | 187 | 121.6 Ų | 121.6 | 92% | 0.921 | 73% | 0.731 | S | S | * | * | | | trans | -65.5 | 102.5 | 172.2 | -76 | -171.6 | -62.2 | 0 | 0 | 108 | S97 N101 | S97-M99 PolarHBondContact O-N 3.36Å; S97-M99 VanDerWaalsContact O-N 3.09Å; M99-N101 PolarHBondContact O-N 3.43Å |
| 100 | L | 58.3 | Low | 53.3 | Low | 162 Ų | 162 | 126.4 Ų | 126.4 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | | | trans | -59.7 | 124.7 | 171.2 | -72.6 | 164.7 | 0 | 0 | 0 | 109.2 | P98 | P98-L100 PolarHBondContact O-N 2.99Š|
| 101 | N | 51.7 | Low | 53.6 | Low | 111 Ų | 111 | 129 Ų | 129 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | | | trans | 61.2 | 87.6 | 146.3 | -158.8 | 39.8 | 0 | 0 | 0 | 117.3 | M99 Q103 | M99-N101 PolarHBondContact O-N 3.43Å; N101-Q103 PolarHBondContact ND2-OE1 3.27Å; N101-Q103 PolarHBondContact O-N 2.88Å; N101-Q103 VanDerWaalsContact O-N 3.12Å; N101-Q103 PolarHBondContact OD1-OE1 2.81Å |
| 102 | H | 47.6 | Very low | 53.7 | Low | 156 Ų | 156 | 124.8 Ų | 124.8 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | | | trans | -84.5 | 60.3 | 159.7 | -152.6 | 84.3 | 0 | 0 | 0 | 110.5 | A104 H109 | H102-A104 VanDerWaalsContact C-N 3.25Å; H102-A104 PolarHBondContact O-N 3.43Å; H102-A104 VanDerWaalsContact O-N 3.12Å; H102-H109 AromaticContact NE2-CE1 3.6Å |
| 103 | Q | 52.2 | Low | 54 | Low | 161 Ų | 161 | 123.5 Ų | 123.5 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | | | trans | -75.4 | 86.8 | 156.9 | -93.4 | 167.5 | -30.6 | 0 | 0 | 107.7 | N101 | N101-Q103 PolarHBondContact ND2-OE1 3.27Å; N101-Q103 PolarHBondContact O-N 2.88Å; N101-Q103 VanDerWaalsContact O-N 3.12Å; N101-Q103 PolarHBondContact OD1-OE1 2.81Å |
| 104 | A | 45.6 | Very low | 54.5 | Low | 52 Ų | 52 | 116.6 Ų | 116.6 | 43% | 0.43 | 69% | 0.69 | S | S | . | * | | | trans | -128.6 | 72.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | H102 G106 | H102-A104 VanDerWaalsContact C-N 3.25Å; H102-A104 PolarHBondContact O-N 3.43Å; H102-A104 VanDerWaalsContact O-N 3.12Å; A104-G106 PolarHBondContact O-N 2.94Å |
| 105 | A | 52.8 | Low | 54.4 | Low | 116 Ų | 116 | 116.7 Ų | 116.7 | 96% | 0.959 | 68% | 0.679 | S | S | * | * | | | trans | -65.9 | 84.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 106 | G | 47.5 | Very low | 54.7 | Low | 39 Ų | 39 | 117.4 Ų | 117.4 | 40% | 0.402 | 67% | 0.67 | S | S | . | * | | | trans | -111.8 | 141.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | A104 N108 H109 | A104-G106 PolarHBondContact O-N 2.94Å; G106-N108 PolarHBondContact O-N 2.95Å; G106-H109 PolarHBondContact O-N 2.88Å |
| 107 | P | 55.1 | Low | 55.3 | Low | 133 Ų | 133 | 114.8 Ų | 114.8 | 86% | 0.864 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 13.1 | -168.7 | 25.4 | -33.9 | 0 | 0 | 0 | 115.9 | | |
| 108 | N | 51.8 | Low | 55.4 | Low | 151 Ų | 151 | 117 Ų | 117 | 81% | 0.807 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.2 | 25.5 | -178.6 | -64.9 | -70.7 | 0 | 0 | 0 | 113.4 | G106 M110 | G106-N108 PolarHBondContact O-N 2.95Å; N108-M110 PolarHBondContact O-N 3.21Å |
| 109 | H | 57 | Low | 55.8 | Low | 108 Ų | 108 | 118.5 Ų | 118.5 | 50% | 0.5 | 66% | 0.659 | S | S | . | * | | | trans | -76.2 | 95 | 171.4 | -151.9 | 103.4 | 0 | 0 | 0 | 108.4 | H102 G106 E111 | H102-H109 AromaticContact NE2-CE1 3.6Å; G106-H109 PolarHBondContact O-N 2.88Å; H109-E111 PolarHBondContact O-N 2.99Å |
| 110 | M | 54.1 | Low | 55.8 | Low | 171 Ų | 171 | 116.2 Ų | 116.2 | 84% | 0.842 | 65% | 0.646 | S | S | * | * | | | trans | -63.1 | 101.8 | 171.3 | -170.5 | -179.3 | -66 | 0 | 0 | 107.3 | N108 S112 | N108-M110 PolarHBondContact O-N 3.21Å; M110-S112 PolarHBondContact O-N 3.4Å |
| 111 | E | 64.1 | Low | 55.7 | Low | 107 Ų | 107 | 115.7 Ų | 115.7 | 50% | 0.5 | 64% | 0.644 | S | S | . | * | | | trans | -53.6 | 130.4 | 171.8 | -72.3 | 80 | -165.2 | 0 | 0 | 108.7 | H109 N115 | H109-E111 PolarHBondContact O-N 2.99Å; E111-N115 HydrophobicContact CB-CB 4.47Å |
| 112 | S | 51.8 | Low | 56 | Low | 85 Ų | 85 | 118.5 Ų | 118.5 | 59% | 0.594 | 65% | 0.651 | S | S | * | * | | | trans | -39.7 | 134.4 | 175.5 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | M110 G114 N115 | M110-S112 PolarHBondContact O-N 3.4Å; S112-G114 PolarHBondContact O-N 3.22Å; S112-N115 PolarHBondContact O-N 3.37Å |
| 113 | P | 57 | Low | 56.5 | Low | 98 Ų | 98 | 117.4 Ų | 117.4 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -56.8 | -12.7 | -174 | 21.2 | -32.9 | 0 | 0 | 0 | 114.3 | | |
| 114 | G | 63.5 | Low | 56.7 | Low | 41 Ų | 41 | 116.1 Ų | 116.1 | 42% | 0.423 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -68.7 | -24.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S112 | S112-G114 PolarHBondContact O-N 3.22Å |
| 115 | N | 57.4 | Low | 56.8 | Low | 88 Ų | 88 | 125 Ų | 125 | 47% | 0.471 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -89.4 | -18 | 179.3 | -89.5 | 6.7 | 0 | 0 | 0 | 113.8 | E111 S112 Q118 | E111-N115 HydrophobicContact CB-CB 4.47Å; S112-N115 PolarHBondContact O-N 3.37Å; N115-Q118 PolarHBondContact OD1-NE2 2.94Å |
| 116 | L | 59.5 | Low | 57 | Low | 97 Ų | 97 | 125.5 Ų | 125.5 | 51% | 0.508 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -74.2 | -32.5 | 176.2 | -68.6 | 168.4 | 0 | 0 | 0 | 112 | Q118 Q119 | L116-Q118 PolarHBondContact O-N 2.88Å; L116-Q119 PolarHBondContact O-N 3Å |
| 117 | L | 62.2 | Low | 57.5 | Low | 142 Ų | 142 | 130 Ų | 130 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -64.8 | -27.6 | 177.8 | -73.3 | 156.1 | 0 | 0 | 0 | 112.8 | | |
| 118 | Q | 61.3 | Low | 57.7 | Low | 141 Ų | 141 | 129.8 Ų | 129.8 | 66% | 0.659 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -80.8 | -16.2 | 179.4 | -68.1 | -179.2 | 88.1 | 0 | 0 | 113.4 | N115 L116 | N115-Q118 PolarHBondContact OD1-NE2 2.94Å; L116-Q118 PolarHBondContact O-N 2.88Å |
| 119 | Q | 60.1 | Low | 58 | Low | 143 Ų | 143 | 128.6 Ų | 128.6 | 67% | 0.668 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -89.3 | -1.2 | -178.4 | -76.9 | 179 | 70.6 | 0 | 0 | 114 | L116 N121 | L116-Q119 PolarHBondContact O-N 3Å; Q119-N121 VanDerWaalsContact C-N 3.26Å; Q119-N121 PolarHBondContact O-N 3.2Å |
| 120 | Q | 61 | Low | 58.1 | Low | 138 Ų | 138 | 129.9 Ų | 129.9 | 65% | 0.645 | 68% | 0.68 | S | S | * | * | | | trans | -90.2 | 49.8 | 175.4 | -63.1 | -91.3 | -63.6 | 0 | 0 | 111 | F122 | Q120-F122 PolarHBondContact O-N 3.22Š|
| 121 | N | 57 | Low | 58.4 | Low | 152 Ų | 152 | 127.1 Ų | 127.1 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | | | trans | -84.1 | 102 | 160.5 | -96.8 | -30.2 | 0 | 0 | 0 | 107.1 | Q119 D123 | Q119-N121 VanDerWaalsContact C-N 3.26Å; Q119-N121 PolarHBondContact O-N 3.2Å; N121-D123 PolarHBondContact O-N 3.27Å; N121-D123 VanDerWaalsContact O-N 3.15Å |
| 122 | F | 56.9 | Low | 58 | Low | 169 Ų | 169 | 128.6 Ų | 128.6 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | | | trans | -65.4 | 107.3 | 172.2 | -78.4 | -95.8 | 0 | 0 | 0 | 109.1 | Q120 V124 | Q120-F122 PolarHBondContact O-N 3.22Å; F122-V124 HydrophobicContact CB-CG2 4.31Å; F122-V124 PolarHBondContact O-N 3.44Å; F122-V124 VanDerWaalsContact O-N 3.1Å |
| 123 | D | 57.8 | Low | 58.4 | Low | 134 Ų | 134 | 131.9 Ų | 131.9 | 72% | 0.717 | 69% | 0.688 | S | S | * | * | | | trans | -68.1 | 99.4 | 161.7 | -142.4 | -75.8 | 0 | 0 | 0 | 106.6 | N121 Q125 | N121-D123 PolarHBondContact O-N 3.27Å; N121-D123 VanDerWaalsContact O-N 3.15Å; D123-Q125 PolarHBondContact O-N 2.93Å; D123-Q125 PolarHBondContact OD1-NE2 3.05Å |
| 124 | V | 56.4 | Low | 58.5 | Low | 134 Ų | 134 | 134.8 Ų | 134.8 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | | | trans | -86.9 | 99.5 | 173.4 | -179 | 0 | 0 | 0 | 0 | 106.9 | F122 | F122-V124 HydrophobicContact CB-CG2 4.31Å; F122-V124 PolarHBondContact O-N 3.44Å; F122-V124 VanDerWaalsContact O-N 3.1Å |
| 125 | Q | 49.5 | Very low | 58.1 | Low | 238 Ų | 238 | 143.3 Ų | 143.3 | 100% | 1.112 | 72% | 0.717 | S | S | * | * | | | trans | -109.2 | 0 | 166.2 | -80.9 | -178.5 | 61.9 | 0 | 0 | 110.5 | D123 | D123-Q125 PolarHBondContact O-N 2.93Å; D123-Q125 PolarHBondContact OD1-NE2 3.05Å |