| 1 | M | 43 | Very low | 45.6 | Very low | 241 Ų | 241 | 140.6 Ų | 140.6 | 100% | 1.187 | 84% | 0.837 | S | S | * | * | | | | 0 | 112.9 | 0 | -71.6 | -179 | -162.1 | 0 | 0 | 106.9 | | |
| 2 | A | 39.9 | Very low | 46.1 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -82.3 | 125.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | T4 | A2-T4 PolarHBondContact O-N 3.07Š|
| 3 | T | 47.8 | Very low | 46.1 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | trans | -77.6 | 109.8 | 176.5 | -33.2 | 0 | 0 | 0 | 0 | 108.4 | A5 | T3-A5 PolarHBondContact O-N 3.41Š|
| 4 | T | 50.7 | Low | 46.1 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | | | trans | -78.4 | 105.8 | 177.4 | -36.4 | 0 | 0 | 0 | 0 | 109.3 | A2 | A2-T4 PolarHBondContact O-N 3.07Š|
| 5 | A | 49.7 | Very low | 46 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | trans | -76.6 | 119.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | T3 | T3-A5 PolarHBondContact O-N 3.41Š|
| 6 | A | 47.6 | Very low | 45.8 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -115.9 | 91.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 7 | G | 40.8 | Very low | 45.8 | Very low | 66 Ų | 66 | 132.5 Ų | 132.5 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | | | trans | -88.5 | 128.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 8 | I | 50.2 | Low | 46.1 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | | | trans | 61.2 | 113 | 147.9 | -46 | -177.5 | 0 | 0 | 0 | 117.4 | | |
| 9 | Q | 42.8 | Very low | 46.4 | Very low | 183 Ų | 183 | 128 Ų | 128 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | | -136.5 | 107.4 | 122 | -72.4 | -150.9 | 12.3 | 0 | 0 | 110.3 | Q11 | Q9-Q11 PolarHBondContact O-N 3.41Š|
| 10 | Q | 44.1 | Very low | 46.7 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -63 | 104.9 | 159.1 | -77.7 | 169.4 | -24.9 | 0 | 0 | 107.9 | | |
| 11 | Q | 45.5 | Very low | 47.2 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | | | trans | -87.3 | 105.6 | 158.6 | -164.1 | 108.4 | 8.3 | 0 | 0 | 107 | Q9 V13 | Q9-Q11 PolarHBondContact O-N 3.41Å; Q11-V13 PolarHBondContact O-N 2.9Å |
| 12 | Q | 50.6 | Low | 47.8 | Very low | 171 Ų | 171 | 124 Ų | 124 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | | | trans | -60 | 96.4 | 167.9 | -72.8 | 172.7 | -30.4 | 0 | 0 | 108.8 | I14 | Q12-I14 VanDerWaalsContact C-N 3.33Å; Q12-I14 PolarHBondContact O-N 3.14Å |
| 13 | V | 47.2 | Very low | 48.5 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 63% | 0.63 | 74% | 0.74 | S | S | * | * | | | trans | -82.6 | 92 | 163.7 | -175.8 | 0 | 0 | 0 | 0 | 106.2 | Q11 G15 L16 | Q11-V13 PolarHBondContact O-N 2.9Å; V13-G15 PolarHBondContact O-N 2.94Å; V13-L16 HydrophobicContact CG1-CD1 3.73Å; V13-L16 HydrophobicContact CG1-CG 4.1Å |
| 14 | I | 46 | Very low | 48.6 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | | | trans | -43.2 | 124.1 | 170.4 | -60.6 | 159.3 | 0 | 0 | 0 | 107.7 | Q12 L16 | Q12-I14 VanDerWaalsContact C-N 3.33Å; Q12-I14 PolarHBondContact O-N 3.14Å; I14-L16 PolarHBondContact O-N 3.18Å |
| 15 | G | 44.3 | Very low | 48.7 | Very low | 78 Ų | 78 | 120.8 Ų | 120.8 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | | | trans | -40.9 | 98.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V13 G17 | V13-G15 PolarHBondContact O-N 2.94Å; G15-G17 PolarHBondContact O-N 2.78Å |
| 16 | L | 43.1 | Very low | 48.9 | Very low | 133 Ų | 133 | 120.6 Ų | 120.6 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | | | trans | -78.8 | 96.1 | 165.3 | -63.8 | 172.6 | 0 | 0 | 0 | 106.4 | V13 I14 A18 | V13-L16 HydrophobicContact CG1-CD1 3.73Å; V13-L16 HydrophobicContact CG1-CG 4.1Å; I14-L16 PolarHBondContact O-N 3.18Å; L16-A18 PolarHBondContact O-N 2.73Å |
| 17 | G | 45 | Very low | 49.1 | Very low | 71 Ų | 71 | 122.8 Ų | 122.8 | 73% | 0.732 | 68% | 0.682 | S | S | * | * | | | trans | -49.5 | 124.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | G15 A19 | G15-G17 PolarHBondContact O-N 2.78Å; G17-A19 PolarHBondContact O-N 3.13Å; G17-A19 VanDerWaalsContact O-N 3.09Å |
| 18 | A | 51.8 | Low | 49.8 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 74% | 0.744 | 68% | 0.679 | S | S | * | * | | | trans | -4.7 | 97.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L16 Y20 | L16-A18 PolarHBondContact O-N 2.73Å; A18-Y20 PolarHBondContact O-N 3.3Å |
| 19 | A | 50.8 | Low | 50.2 | Low | 89 Ų | 89 | 120.3 Ų | 120.3 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | | | trans | -60.5 | 92.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | G17 D21 | G17-A19 PolarHBondContact O-N 3.13Å; G17-A19 VanDerWaalsContact O-N 3.09Å; A19-D21 PolarHBondContact O-N 3.01Å |
| 20 | Y | 53.1 | Low | 50.7 | Low | 154 Ų | 154 | 121.9 Ų | 121.9 | 60% | 0.604 | 68% | 0.676 | S | S | * | * | | | trans | -60.1 | 126.7 | 178.5 | -138.4 | -78.7 | 0 | 0 | 0 | 106.7 | A18 R22 | A18-Y20 PolarHBondContact O-N 3.3Å; Y20-R22 VanDerWaalsContact C-N 3.32Å; Y20-R22 PolarHBondContact O-N 2.92Å |
| 21 | D | 56.6 | Low | 51.8 | Low | 86 Ų | 86 | 117.6 Ų | 117.6 | 46% | 0.46 | 66% | 0.659 | S | S | . | * | | | trans | -64.8 | 95.6 | 178.6 | -167.6 | -10.7 | 0 | 0 | 0 | 108.6 | A19 Q23 Q24 | A19-D21 PolarHBondContact O-N 3.01Å; D21-Q23 PolarHBondContact O-N 3.03Å; D21-Q23 PolarHBondContact OD1-N 2.92Å; D21-Q24 HydrophobicContact CB-CB 4.31Å; D21-Q24 HydrophobicContact CB-CG 3.97Å; D21-Q24 PolarHBondContact O-N 3.07Å; D21-Q24 WeakPolarHBondContact OD2-CG 3.44Å |
| 22 | R | 55.3 | Low | 52.4 | Low | 174 Ų | 174 | 113 Ų | 113 | 66% | 0.657 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -34.5 | -177.3 | -88.9 | -175.2 | 165.3 | 123.2 | -4.7 | 111 | Y20 S25 G37 | Y20-R22 VanDerWaalsContact C-N 3.32Å; Y20-R22 PolarHBondContact O-N 2.92Å; R22-S25 PolarHBondContact O-N 2.97Å; R22-G37 PolarHBondContact NH2-O 3.3Å |
| 23 | Q | 54.5 | Low | 53 | Low | 154 Ų | 154 | 109.3 Ų | 109.3 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -39.7 | -173.9 | -62.8 | -92.9 | -75.7 | 0 | 0 | 111.8 | D21 S25 T26 | D21-Q23 PolarHBondContact O-N 3.03Å; D21-Q23 PolarHBondContact OD1-N 2.92Å; Q23-S25 PolarHBondContact O-N 3.1Å; Q23-T26 PolarHBondContact O-OG1 3.17Å |
| 24 | Q | 51.8 | Low | 53.6 | Low | 138 Ų | 138 | 112.9 Ų | 112.9 | 65% | 0.645 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -21.9 | -179.9 | -66.8 | -84 | 9.2 | 0 | 0 | 113.1 | D21 | D21-Q24 HydrophobicContact CB-CB 4.31Å; D21-Q24 HydrophobicContact CB-CG 3.97Å; D21-Q24 PolarHBondContact O-N 3.07Å; D21-Q24 WeakPolarHBondContact OD2-CG 3.44Å |
| 25 | S | 52.4 | Low | 54.4 | Low | 15 Ų | 15 | 108.5 Ų | 108.5 | 11% | 0.105 | 61% | 0.611 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -96.5 | -9.6 | -172.9 | -63.3 | 0 | 0 | 0 | 0 | 114 | R22 Q23 R35 | R22-S25 PolarHBondContact O-N 2.97Å; Q23-S25 PolarHBondContact O-N 3.1Å; S25-R35 VanDerWaalsContact CB-CZ 3.42Å; S25-R35 VanDerWaalsContact OG-CZ 3.29Å; S25-R35 PolarHBondContact OG-NH2 3.22Å |
| 26 | T | 53.8 | Low | 54.7 | Low | 95 Ų | 95 | 111.3 Ų | 111.3 | 58% | 0.583 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -19.3 | 175.9 | 52 | 0 | 0 | 0 | 0 | 112.7 | Q23 | Q23-T26 PolarHBondContact O-OG1 3.17Š|
| 27 | D | 51.1 | Low | 55.3 | Low | 149 Ų | 149 | 107.9 Ų | 107.9 | 80% | 0.797 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -20.5 | -175.2 | -158.5 | 29.1 | 0 | 0 | 0 | 113.3 | G29 | D27-G29 VanDerWaalsContact C-N 3.34Š|
| 28 | S | 56.4 | Low | 56 | Low | 88 Ų | 88 | 106.1 Ų | 106.1 | 62% | 0.615 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 2.9 | 177.8 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | W30 | S28-W30 PolarHBondContact O-N 2.92Š|
| 29 | G | 58.1 | Low | 56.5 | Low | 70 Ų | 70 | 107.6 Ų | 107.6 | 72% | 0.722 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 66.9 | 5.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | D27 | D27-G29 VanDerWaalsContact C-N 3.34Š|
| 30 | W | 53.9 | Low | 56.6 | Low | 216 Ų | 216 | 108.7 Ų | 108.7 | 82% | 0.818 | 58% | 0.583 | S | S | * | * | | | trans | -124 | 87.7 | 178.3 | -134 | 65.5 | 0 | 0 | 0 | 109.3 | S28 N32 | S28-W30 PolarHBondContact O-N 2.92Å; W30-N32 PolarHBondContact O-N 2.77Å |
| 31 | D | 66.1 | Low | 57.1 | Low | 81 Ų | 81 | 103.6 Ų | 103.6 | 43% | 0.433 | 57% | 0.57 | S | S | . | * | | | trans | -66.7 | 127.7 | 177.6 | -169.4 | 12.8 | 0 | 0 | 0 | 109.7 | P33 R35 | D31-P33 WeakPolarHBondContact O-CD 3.39Å; D31-R35 IonicContact OD1-NE 3.78Å |
| 32 | N | 58.3 | Low | 57.2 | Low | 68 Ų | 68 | 110.7 Ų | 110.7 | 36% | 0.364 | 59% | 0.59 | S | S | . | * | | | trans | -78.8 | 113.7 | -175.1 | 178 | -1.6 | 0 | 0 | 0 | 108.9 | W30 F34 R35 | W30-N32 PolarHBondContact O-N 2.77Å; N32-F34 PolarHBondContact O-N 2.94Å; N32-F34 VanDerWaalsContact O-N 3.07Å; N32-F34 PolarHBondContact OD1-N 3.41Å; N32-R35 HydrophobicContact CB-CG 4.27Å; N32-R35 WeakPolarHBondContact O-CG 3.33Å; N32-R35 PolarHBondContact O-N 2.98Å |
| 33 | P | 63.2 | Low | 57.3 | Low | 94 Ų | 94 | 108.5 Ų | 108.5 | 61% | 0.61 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -7.6 | -167 | 27.7 | -35.7 | 0 | 0 | 0 | 114.9 | D31 | D31-P33 WeakPolarHBondContact O-CD 3.39Š|
| 34 | F | 59.7 | Low | 58.1 | Low | 178 Ų | 178 | 102.7 Ų | 102.7 | 78% | 0.781 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 29.8 | -179.4 | -58.2 | -72.6 | 0 | 0 | 0 | 112.5 | N32 P36 | N32-F34 PolarHBondContact O-N 2.94Å; N32-F34 VanDerWaalsContact O-N 3.07Å; N32-F34 PolarHBondContact OD1-N 3.41Å; F34-P36 VanDerWaalsContact O-CD 3.27Å; F34-P36 WeakPolarHBondContact O-CD 3.37Å |
| 35 | R | 63.9 | Low | 59 | Low | 57 Ų | 57 | 99.5 Ų | 99.5 | 22% | 0.215 | 55% | 0.553 | C | S | . | * | | | trans | -70.7 | 118.7 | 172.2 | -75.7 | 178.8 | -174.2 | -65 | -14.3 | 110.2 | S25 D31 N32 G37 G38 | S25-R35 VanDerWaalsContact CB-CZ 3.42Å; S25-R35 VanDerWaalsContact OG-CZ 3.29Å; S25-R35 PolarHBondContact OG-NH2 3.22Å; D31-R35 IonicContact OD1-NE 3.78Å; N32-R35 HydrophobicContact CB-CG 4.27Å; N32-R35 WeakPolarHBondContact O-CG 3.33Å; N32-R35 PolarHBondContact O-N 2.98Å; R35-G37 PolarHBondContact O-N 3.31Å; R35-G37 VanDerWaalsContact O-N 3.11Å; R35-G38 PolarHBondContact O-N 3.41Å |
| 36 | P | 49.1 | Very low | 59.9 | Low | 137 Ų | 137 | 103.1 Ų | 103.1 | 89% | 0.89 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 114.4 | 171.1 | -13.4 | 28.6 | 0 | 0 | 0 | 108.5 | F34 | F34-P36 VanDerWaalsContact O-CD 3.27Å; F34-P36 WeakPolarHBondContact O-CD 3.37Å |
| 37 | G | 55.8 | Low | 60.7 | Low | 61 Ų | 61 | 102.5 Ų | 102.5 | 63% | 0.629 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.4 | 19.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R22 R35 D39 | R22-G37 PolarHBondContact NH2-O 3.3Å; R35-G37 PolarHBondContact O-N 3.31Å; R35-G37 VanDerWaalsContact O-N 3.11Å; G37-D39 PolarHBondContact O-N 3.03Å |
| 38 | G | 60.3 | Low | 61.9 | Low | 35 Ų | 35 | 97.7 Ų | 97.7 | 36% | 0.361 | 54% | 0.536 | S | S | . | . | | | trans | -59.8 | 129.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | R35 L40 | R35-G38 PolarHBondContact O-N 3.41Å; G38-L40 PolarHBondContact O-N 3.47Å |
| 39 | D | 61.3 | Low | 62.9 | Low | 121 Ų | 121 | 98.4 Ų | 98.4 | 65% | 0.647 | 53% | 0.533 | S | S | * | . | | | trans | -51.3 | 132.3 | 167 | -74.2 | -33.5 | 0 | 0 | 0 | 106 | G37 S41 | G37-D39 PolarHBondContact O-N 3.03Å; D39-S41 PolarHBondContact O-N 3.05Å |
| 40 | L | 54.4 | Low | 63.5 | Low | 111 Ų | 111 | 98.4 Ų | 98.4 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -45.2 | 120.1 | 171.5 | -62.3 | 169.2 | 0 | 0 | 0 | 104.7 | G38 R42 A44 | G38-L40 PolarHBondContact O-N 3.47Å; L40-R42 PolarHBondContact O-N 3.46Å; L40-R42 VanDerWaalsContact O-N 3.17Å; L40-A44 HydrophobicContact CB-CB 3.6Å |
| 41 | S | 62.1 | Low | 64.4 | Low | 48 Ų | 48 | 93 Ų | 93 | 34% | 0.336 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -25.3 | 123.6 | -174.1 | -56.4 | 0 | 0 | 0 | 0 | 108.7 | D39 E43 A44 | D39-S41 PolarHBondContact O-N 3.05Å; S41-E43 WeakPolarHBondContact CB-OE1 3.41Å; S41-E43 CarbonylContact O-C 3.39Å; S41-E43 WeakPolarHBondContact O-CA 3.48Å; S41-E43 WeakPolarHBondContact O-CG 3.42Å; S41-E43 PolarHBondContact O-N 2.9Å; S41-A44 WeakPolarHBondContact O-CB 3.17Å; S41-A44 PolarHBondContact O-N 3.38Å |
| 42 | R | 58.7 | Low | 65 | Low | 234 Ų | 234 | 98.1 Ų | 98.1 | 88% | 0.883 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -37.6 | -27.2 | -169.9 | -164.5 | 177.1 | -168.3 | -134.5 | 3.7 | 116.4 | L40 | L40-R42 PolarHBondContact O-N 3.46Å; L40-R42 VanDerWaalsContact O-N 3.17Å |
| 43 | E | 59.2 | Low | 65.9 | Low | 129 Ų | 129 | 97.7 Ų | 97.7 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.8 | -39.9 | 166.1 | 66.2 | -160 | -174.5 | 0 | 0 | 116.9 | S41 E46 I47 | S41-E43 WeakPolarHBondContact CB-OE1 3.41Å; S41-E43 CarbonylContact O-C 3.39Å; S41-E43 WeakPolarHBondContact O-CA 3.48Å; S41-E43 WeakPolarHBondContact O-CG 3.42Å; S41-E43 PolarHBondContact O-N 2.9Å; E43-E46 WeakPolarHBondContact O-CB 3.27Å; E43-E46 PolarHBondContact O-N 2.99Å; E43-I47 PolarHBondContact O-N 2.93Å |
| 44 | A | 69.8 | Low | 65.9 | Low | 31 Ų | 31 | 96.4 Ų | 96.4 | 26% | 0.256 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.1 | -37.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L40 S41 E46 I47 V48 | L40-A44 HydrophobicContact CB-CB 3.6Å; S41-A44 WeakPolarHBondContact O-CB 3.17Å; S41-A44 PolarHBondContact O-N 3.38Å; A44-E46 VanDerWaalsContact C-N 3.27Å; A44-E46 PolarHBondContact O-N 3.45Å; A44-I47 PolarHBondContact O-N 3.25Å; A44-V48 WeakPolarHBondContact O-CG2 3.27Å; A44-V48 PolarHBondContact O-N 3Å |
| 45 | D | 70.5 | Confident | 66.1 | Low | 72 Ų | 72 | 96.3 Ų | 96.3 | 39% | 0.385 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.1 | -31.8 | 174.1 | -77.4 | -21.6 | 0 | 0 | 0 | 112.1 | V48 N49 | D45-V48 PolarHBondContact O-N 3.1Å; D45-N49 PolarHBondContact O-N 2.9Å |
| 46 | E | 71.4 | Confident | 65.6 | Low | 90 Ų | 90 | 99.1 Ų | 99.1 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.8 | -46.3 | 172.8 | -170.4 | -176.5 | 159.5 | 0 | 0 | 110.7 | E43 A44 V48 N49 M50 R63 | E43-E46 WeakPolarHBondContact O-CB 3.27Å; E43-E46 PolarHBondContact O-N 2.99Å; A44-E46 VanDerWaalsContact C-N 3.27Å; A44-E46 PolarHBondContact O-N 3.45Å; E46-V48 PolarHBondContact O-N 3.24Å; E46-N49 PolarHBondContact O-N 2.76Å; E46-M50 HydrophobicContact CG-CE 4.16Å; E46-M50 WeakPolarHBondContact O-CG 3.43Å; E46-M50 PolarHBondContact O-N 3.16Å; E46-R63 IonicContact OE1-CZ 3.93Å; E46-R63 IonicContact OE1-NH1 3Å; E46-R63 PolarHBondContact OE1-NH1 3.33Å; E46-R63 IonicContact OE1-NH2 3.94Å |
| 47 | I | 71.9 | Confident | 66.1 | Low | 83 Ų | 83 | 97.5 Ų | 97.5 | 43% | 0.426 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 177.6 | -54.1 | -58.1 | 0 | 0 | 0 | 111.1 | E43 A44 N49 M50 I51 | E43-I47 PolarHBondContact O-N 2.93Å; A44-I47 PolarHBondContact O-N 3.25Å; I47-N49 VanDerWaalsContact C-N 3.34Å; I47-N49 PolarHBondContact O-N 3.46Å; I47-M50 HydrophobicContact CD1-CE 3.48Å; I47-M50 VanDerWaalsContact CD1-CE 3.48Å; I47-M50 HydrophobicContact CG1-CE 4.5Å; I47-M50 PolarHBondContact O-N 3.26Å; I47-I51 HydrophobicContact CG2-CD1 3.78Å; I47-I51 HydrophobicContact CG2-CG1 4.38Å; I47-I51 VanDerWaalsContact O-CG1 3.27Å; I47-I51 WeakPolarHBondContact O-CG1 3.43Å; I47-I51 PolarHBondContact O-N 3.12Å |
| 48 | V | 75.9 | Confident | 66 | Low | 47 Ų | 47 | 99.6 Ų | 99.6 | 29% | 0.285 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | A44 D45 E46 I51 R52 | A44-V48 WeakPolarHBondContact O-CG2 3.27Å; A44-V48 PolarHBondContact O-N 3Å; D45-V48 PolarHBondContact O-N 3.1Å; E46-V48 PolarHBondContact O-N 3.24Å; V48-I51 PolarHBondContact O-N 2.92Å; V48-R52 HydrophobicContact CG1-CG 4.48Å; V48-R52 WeakPolarHBondContact O-CB 3.38Å; V48-R52 WeakPolarHBondContact O-CG 3.37Å; V48-R52 PolarHBondContact O-N 2.94Å |
| 49 | N | 76.8 | Confident | 65.8 | Low | 103 Ų | 103 | 104 Ų | 104 | 55% | 0.551 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.1 | -38 | 176 | -84.9 | 7.9 | 0 | 0 | 0 | 112.4 | D45 E46 I47 R52 G53 | D45-N49 PolarHBondContact O-N 2.9Å; E46-N49 PolarHBondContact O-N 2.76Å; I47-N49 VanDerWaalsContact C-N 3.34Å; I47-N49 PolarHBondContact O-N 3.46Å; N49-R52 PolarHBondContact O-N 3.17Å; N49-R52 PolarHBondContact OD1-NH1 2.9Å; N49-G53 PolarHBondContact O-N 3.22Å |
| 50 | M | 70.3 | Confident | 65.2 | Low | 70 Ų | 70 | 102.7 Ų | 102.7 | 35% | 0.345 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -41.2 | 173.6 | -72.6 | -170.4 | -69.9 | 0 | 0 | 112.2 | E46 I47 G53 I57 | E46-M50 HydrophobicContact CG-CE 4.16Å; E46-M50 WeakPolarHBondContact O-CG 3.43Å; E46-M50 PolarHBondContact O-N 3.16Å; I47-M50 HydrophobicContact CD1-CE 3.48Å; I47-M50 VanDerWaalsContact CD1-CE 3.48Å; I47-M50 HydrophobicContact CG1-CE 4.5Å; I47-M50 PolarHBondContact O-N 3.26Å; M50-G53 PolarHBondContact O-N 3.09Å; M50-I57 HydrophobicContact CB-CG2 4.25Å |
| 51 | I | 74.1 | Confident | 65.2 | Low | 103 Ų | 103 | 107.1 Ų | 107.1 | 53% | 0.528 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.1 | -45.2 | 176.6 | -67.3 | 167.2 | 0 | 0 | 0 | 110.9 | I47 V48 G53 G54 I57 | I47-I51 HydrophobicContact CG2-CD1 3.78Å; I47-I51 HydrophobicContact CG2-CG1 4.38Å; I47-I51 VanDerWaalsContact O-CG1 3.27Å; I47-I51 WeakPolarHBondContact O-CG1 3.43Å; I47-I51 PolarHBondContact O-N 3.12Å; V48-I51 PolarHBondContact O-N 2.92Å; I51-G53 PolarHBondContact O-N 3.44Å; I51-G54 PolarHBondContact O-N 3.33Å; I51-G54 VanDerWaalsContact O-N 3.17Å; I51-I57 HydrophobicContact CG1-CD1 4.36Å |
| 52 | R | 77.6 | Confident | 64.6 | Low | 188 Ų | 188 | 112.8 Ų | 112.8 | 71% | 0.709 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.8 | -29.1 | 175.7 | -73.7 | -177.5 | -152.7 | 151.3 | 2.8 | 112.7 | V48 N49 G54 | V48-R52 HydrophobicContact CG1-CG 4.48Å; V48-R52 WeakPolarHBondContact O-CB 3.38Å; V48-R52 WeakPolarHBondContact O-CG 3.37Å; V48-R52 PolarHBondContact O-N 2.94Å; N49-R52 PolarHBondContact O-N 3.17Å; N49-R52 PolarHBondContact OD1-NH1 2.9Å; R52-G54 PolarHBondContact O-N 3.25Å |
| 53 | G | 77.3 | Confident | 64.4 | Low | 59 Ų | 59 | 109.8 Ų | 109.8 | 61% | 0.608 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -5.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N49 M50 I51 K55 | N49-G53 PolarHBondContact O-N 3.22Å; M50-G53 PolarHBondContact O-N 3.09Å; I51-G53 PolarHBondContact O-N 3.44Å; G53-K55 PolarHBondContact O-N 3.45Å |
| 54 | G | 64.4 | Low | 64.1 | Low | 67 Ų | 67 | 110 Ų | 110 | 69% | 0.691 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.8 | 4.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | I51 R52 | I51-G54 PolarHBondContact O-N 3.33Å; I51-G54 VanDerWaalsContact O-N 3.17Å; R52-G54 PolarHBondContact O-N 3.25Å |
| 55 | K | 63.5 | Low | 63.4 | Low | 176 Ų | 176 | 114.7 Ų | 114.7 | 77% | 0.765 | 61% | 0.614 | S | S | * | * | | | trans | -83.3 | 133.4 | 171.9 | -83.7 | -170.4 | 174.2 | -168.3 | 0 | 109.7 | G53 I57 | G53-K55 PolarHBondContact O-N 3.45Å; K55-I57 PolarHBondContact O-N 3.43Å; K55-I57 VanDerWaalsContact O-N 3.1Å |
| 56 | P | 52.8 | Low | 62.2 | Low | 116 Ų | 116 | 113.7 Ų | 113.7 | 75% | 0.753 | 62% | 0.622 | S | S | * | * | | | trans | -55.8 | 119.6 | 171.4 | -20.9 | 31.3 | 0 | 0 | 0 | 109.4 | T58 | P56-T58 PolarHBondContact O-N 3.02Š|
| 57 | I | 59.6 | Low | 61 | Low | 103 Ų | 103 | 117.2 Ų | 117.2 | 53% | 0.528 | 64% | 0.643 | S | S | . | * | | | trans | -69.5 | 84.5 | 165.5 | 36.7 | 171.6 | 0 | 0 | 0 | 106.9 | M50 I51 K55 P59 | M50-I57 HydrophobicContact CB-CG2 4.25Å; I51-I57 HydrophobicContact CG1-CD1 4.36Å; K55-I57 PolarHBondContact O-N 3.43Å; K55-I57 VanDerWaalsContact O-N 3.1Å; I57-P59 WeakPolarHBondContact O-CD 3.35Å |
| 58 | T | 54.8 | Low | 59.8 | Low | 105 Ų | 105 | 116.5 Ų | 116.5 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | | | trans | -56.6 | 124.7 | 162.4 | 25.9 | 0 | 0 | 0 | 0 | 106.9 | P56 T60 | P56-T58 PolarHBondContact O-N 3.02Å; T58-T60 PolarHBondContact O-N 2.92Å; T58-T60 PolarHBondContact O-OG1 3.11Å |
| 59 | P | 54.4 | Low | 58.2 | Low | 128 Ų | 128 | 119.1 Ų | 119.1 | 83% | 0.831 | 68% | 0.677 | S | S | * | * | | | trans | -66.8 | 86.1 | 168.7 | 27.7 | -30.7 | 0 | 0 | 0 | 106.8 | I57 E61 | I57-P59 WeakPolarHBondContact O-CD 3.35Å; P59-E61 PolarHBondContact O-N 3.25Å; P59-E61 VanDerWaalsContact O-N 3.16Å |
| 60 | T | 50.3 | Low | 57 | Low | 94 Ų | 94 | 118.7 Ų | 118.7 | 58% | 0.577 | 69% | 0.688 | S | S | * | * | | | trans | -68.4 | 112.3 | 169.3 | -40.1 | 0 | 0 | 0 | 0 | 105.2 | T58 E62 | T58-T60 PolarHBondContact O-N 2.92Å; T58-T60 PolarHBondContact O-OG1 3.11Å; T60-E62 HydrophobicContact CG2-CB 4.22Å; T60-E62 PolarHBondContact O-N 2.62Å |
| 61 | E | 54 | Low | 55.7 | Low | 203 Ų | 203 | 124.1 Ų | 124.1 | 95% | 0.949 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -58.3 | 15.2 | 172.2 | 57 | -162.2 | 146.9 | 0 | 0 | 114.5 | P59 | P59-E61 PolarHBondContact O-N 3.25Å; P59-E61 VanDerWaalsContact O-N 3.16Å |
| 62 | E | 50.3 | Low | 54 | Low | 167 Ų | 167 | 126.9 Ų | 126.9 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | | | trans | -139.2 | 46.1 | -173.8 | -160.3 | -171.5 | -176.5 | 0 | 0 | 111 | T60 | T60-E62 HydrophobicContact CG2-CB 4.22Å; T60-E62 PolarHBondContact O-N 2.62Å |
| 63 | R | 52.8 | Low | 52.6 | Low | 172 Ų | 172 | 122.9 Ų | 122.9 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | | | trans | -130.5 | 85.6 | 150.1 | -140.7 | 172.1 | -176.8 | -155.2 | -1.9 | 104.5 | E46 I65 | E46-R63 IonicContact OE1-CZ 3.93Å; E46-R63 IonicContact OE1-NH1 3Å; E46-R63 PolarHBondContact OE1-NH1 3.33Å; E46-R63 IonicContact OE1-NH2 3.94Å; R63-I65 PolarHBondContact O-N 2.64Å |
| 64 | T | 53.4 | Low | 50.9 | Low | 133 Ų | 133 | 126.9 Ų | 126.9 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | | | trans | -50 | 97 | 159.6 | -62.3 | 0 | 0 | 0 | 0 | 105.4 | G66 | T64-G66 PolarHBondContact O-N 3.17Š|
| 65 | I | 55.4 | Low | 50.3 | Low | 129 Ų | 129 | 131.6 Ų | 131.6 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | | | trans | -67 | 84.5 | 161.9 | -59.4 | -65.1 | 0 | 0 | 0 | 102.5 | R63 N67 | R63-I65 PolarHBondContact O-N 2.64Å; I65-N67 PolarHBondContact O-N 3.37Å |
| 66 | G | 44.3 | Very low | 49.7 | Very low | 52 Ų | 52 | 129.7 Ų | 129.7 | 54% | 0.536 | 74% | 0.744 | S | S | . | * | | | trans | -58.5 | 108 | 176.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | T64 G68 | T64-G66 PolarHBondContact O-N 3.17Å; G66-G68 PolarHBondContact O-N 3.37Å |
| 67 | N | 47 | Very low | 49.1 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -63.9 | 92.6 | 174.1 | -149 | 84.2 | 0 | 0 | 0 | 106.6 | I65 | I65-N67 PolarHBondContact O-N 3.37Š|
| 68 | G | 47.8 | Very low | 48.2 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 54.9 | 87 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | G66 | G66-G68 PolarHBondContact O-N 3.37Š|
| 69 | S | 42.1 | Very low | 47.6 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -154.5 | 114.5 | 147.4 | -73.9 | 0 | 0 | 0 | 0 | 107.6 | Q71 | S69-Q71 VanDerWaalsContact C-N 3.31Å; S69-Q71 PolarHBondContact O-N 3.45Å |
| 70 | A | 50.6 | Low | 46.6 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | | | trans | -57.1 | 98.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | H72 | A70-H72 PolarHBondContact O-N 3.07Å; A70-H72 VanDerWaalsContact O-N 3.07Å |
| 71 | Q | 43.9 | Very low | 46.2 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -77 | 100.1 | 170.3 | -73.8 | -171.9 | -11.2 | 0 | 0 | 106.5 | S69 | S69-Q71 VanDerWaalsContact C-N 3.31Å; S69-Q71 PolarHBondContact O-N 3.45Å |
| 72 | H | 37.8 | Very low | 45.5 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | trans | -50 | 148.1 | 159.6 | -85.9 | -117.9 | 0 | 0 | 0 | 109.7 | A70 D74 | A70-H72 PolarHBondContact O-N 3.07Å; A70-H72 VanDerWaalsContact O-N 3.07Å; H72-D74 PolarHBondContact O-N 2.79Å |
| 73 | A | 47.7 | Very low | 45.2 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -64 | 118.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 74 | D | 41.8 | Very low | 44.5 | Very low | 143 Ų | 143 | 120.8 Ų | 120.8 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -152.8 | 126.8 | 150.1 | 36 | -63.6 | 0 | 0 | 0 | 110.3 | H72 | H72-D74 PolarHBondContact O-N 2.79Š|
| 75 | D | 51.7 | Low | 44 | Very low | 165 Ų | 165 | 124 Ų | 124 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | | | trans | -64.8 | 156.6 | -171.3 | -60.3 | -82.5 | 0 | 0 | 0 | 114 | | |
| 76 | N | 51 | Low | 43.1 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | 95.7 | 89.3 | 154.3 | -165.9 | 40.4 | 0 | 0 | 0 | 118.8 | N78 | N76-N78 PolarHBondContact OD1-N 3.18Š|
| 77 | C | 40.6 | Very low | 42.9 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | | | trans | -120.1 | 90.6 | 144.3 | -76.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 78 | N | 40.6 | Very low | 43.3 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -53.9 | 140.2 | 169.9 | -178.3 | 33 | 0 | 0 | 0 | 111.7 | N76 | N76-N78 PolarHBondContact OD1-N 3.18Š|
| 79 | G | 42.3 | Very low | 43 | Very low | 68 Ų | 68 | 131.2 Ų | 131.2 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | trans | -65.2 | 159.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 80 | G | 32.3 | Very low | 43.4 | Very low | 79 Ų | 79 | 130.2 Ų | 130.2 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | | | trans | -169.2 | 83.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | A82 | G80-A82 PolarHBondContact O-N 3.22Š|
| 81 | T | 42.6 | Very low | 43.5 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -55.1 | 123.7 | 162.2 | -67.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 82 | A | 38.8 | Very low | 43.7 | Very low | 82 Ų | 82 | 128.8 Ų | 128.8 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | -164.1 | 102.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G80 | G80-A82 PolarHBondContact O-N 3.22Š|
| 83 | I | 44.4 | Very low | 43.9 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | | | | 27.6 | 137.1 | 129.4 | 59.8 | 139.2 | 0 | 0 | 0 | 120.8 | | |
| 84 | G | 37.8 | Very low | 43.7 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | 113.5 | 107.6 | 134.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 85 | E | 42.8 | Very low | 43.7 | Very low | 200 Ų | 200 | 127.2 Ų | 127.2 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | | | trans | -36.7 | 139.7 | 156.7 | -175.9 | 171.5 | 179.5 | 0 | 0 | 114.9 | | |
| 86 | S | 37.9 | Very low | 43.5 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | 134.7 | 117.3 | 143 | -169.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 87 | V | 38.8 | Very low | 43.1 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | 69 | 109.1 | 139.4 | 179.8 | 0 | 0 | 0 | 0 | 119 | K89 | V87-K89 PolarHBondContact O-N 3.23Å; V87-K89 VanDerWaalsContact O-N 3.14Å |
| 88 | I | 56.6 | Low | 43.5 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | -2 | 97.6 | 141.5 | -50 | -72.5 | 0 | 0 | 0 | 114.1 | | |
| 89 | K | 41.8 | Very low | 44 | Very low | 196 Ų | 196 | 125.4 Ų | 125.4 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | | | trans | -148.1 | 101.2 | 146.7 | -72.7 | -167 | -178.9 | 172.6 | 0 | 109.3 | V87 N91 | V87-K89 PolarHBondContact O-N 3.23Å; V87-K89 VanDerWaalsContact O-N 3.14Å; K89-N91 PolarHBondContact O-N 2.94Å |
| 90 | S | 50.1 | Low | 44.1 | Very low | 81 Ų | 81 | 130.9 Ų | 130.9 | 57% | 0.566 | 77% | 0.768 | S | S | * | * | | | trans | -60.8 | 118.7 | 170.6 | -44.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 91 | N | 53 | Low | 44.8 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 95% | 0.947 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -157.5 | 81.3 | 150.8 | -105.7 | -29.6 | 0 | 0 | 0 | 108.8 | K89 | K89-N91 PolarHBondContact O-N 2.94Š|
| 92 | G | 47.6 | Very low | 44.9 | Very low | 71 Ų | 71 | 134.5 Ų | 134.5 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 148.4 | 53.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110 | C94 | G92-C94 PolarHBondContact O-N 2.72Š|
| 93 | L | 42.2 | Very low | 45.1 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 67% | 0.665 | 76% | 0.763 | S | S | * | * | | | trans | -71.2 | 92.1 | -171.9 | -73.7 | 170.4 | 0 | 0 | 0 | 111.2 | H95 | L93-H95 HydrophobicContact CB-CB 4.08Å; L93-H95 HydrophobicContact CD2-CB 4.16Å; L93-H95 PolarHBondContact O-N 3.19Å |
| 94 | C | 43.5 | Very low | 44.9 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | | | trans | -74.9 | 63.6 | 140.5 | -52.3 | 0 | 0 | 0 | 0 | 107 | G92 L96 | G92-C94 PolarHBondContact O-N 2.72Å; C94-L96 PolarHBondContact O-N 3.41Å |
| 95 | H | 42.3 | Very low | 45.2 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 56% | 0.556 | 76% | 0.759 | S | S | * | * | | | trans | -69.4 | 87.2 | 171.5 | -174 | -86.8 | 0 | 0 | 0 | 106.5 | L93 Q97 | L93-H95 HydrophobicContact CB-CB 4.08Å; L93-H95 HydrophobicContact CD2-CB 4.16Å; L93-H95 PolarHBondContact O-N 3.19Å; H95-Q97 PolarHBondContact CE1-OE1 3Å; H95-Q97 PolarHBondContact ND1-N 2.73Å; H95-Q97 PolarHBondContact O-N 2.77Å |
| 96 | L | 45.6 | Very low | 45 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | trans | -69.5 | 80.5 | 166.8 | -169.3 | 62 | 0 | 0 | 0 | 106.7 | C94 L98 | C94-L96 PolarHBondContact O-N 3.41Å; L96-L98 PolarHBondContact O-N 2.95Å |
| 97 | Q | 43.1 | Very low | 45.3 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | trans | -56.8 | 108.1 | 164 | -173 | 136.3 | -70.4 | 0 | 0 | 105.5 | H95 S99 | H95-Q97 PolarHBondContact CE1-OE1 3Å; H95-Q97 PolarHBondContact ND1-N 2.73Å; H95-Q97 PolarHBondContact O-N 2.77Å; Q97-S99 PolarHBondContact O-N 2.92Å |
| 98 | L | 49.7 | Very low | 45.4 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | | | trans | -67.4 | 77.9 | 171.2 | -164.5 | 73.9 | 0 | 0 | 0 | 107.2 | L96 Q100 | L96-L98 PolarHBondContact O-N 2.95Å; L98-Q100 PolarHBondContact O-N 2.94Å |
| 99 | S | 51.4 | Low | 44.8 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | trans | -64.9 | 104.1 | 167.2 | 61.6 | 0 | 0 | 0 | 0 | 105.8 | Q97 N101 | Q97-S99 PolarHBondContact O-N 2.92Å; S99-N101 PolarHBondContact O-N 2.88Å |
| 100 | Q | 44.5 | Very low | 45 | Very low | 184 Ų | 184 | 128.5 Ų | 128.5 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | | | trans | -50.8 | 104.9 | 167.2 | -75.5 | 173.5 | 72.9 | 0 | 0 | 107.3 | L98 L102 | L98-Q100 PolarHBondContact O-N 2.94Å; Q100-L102 PolarHBondContact O-N 2.87Å |
| 101 | N | 46.6 | Very low | 44.5 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | -72 | 89.3 | 173.5 | -155.1 | 9.4 | 0 | 0 | 0 | 106 | S99 A103 | S99-N101 PolarHBondContact O-N 2.88Å; N101-A103 PolarHBondContact O-N 3Å |
| 102 | L | 44.1 | Very low | 43.7 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | trans | -68.9 | 85.8 | 160.2 | -168.1 | 69.1 | 0 | 0 | 0 | 105.2 | Q100 T104 | Q100-L102 PolarHBondContact O-N 2.87Å; L102-T104 VanDerWaalsContact C-N 3.26Å; L102-T104 PolarHBondContact O-N 2.99Å |
| 103 | A | 43.9 | Very low | 43.3 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | trans | -65.2 | 94.8 | 171 | 0 | 0 | 0 | 0 | 0 | 107.2 | N101 A105 | N101-A103 PolarHBondContact O-N 3Å; A103-A105 VanDerWaalsContact C-N 3.3Å; A103-A105 PolarHBondContact O-N 2.74Å |
| 104 | T | 38.9 | Very low | 43.1 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | -57.5 | 100.2 | 161.6 | -34.1 | 0 | 0 | 0 | 0 | 105.8 | L102 Q106 | L102-T104 VanDerWaalsContact C-N 3.26Å; L102-T104 PolarHBondContact O-N 2.99Å; T104-Q106 VanDerWaalsContact C-N 3.26Å; T104-Q106 PolarHBondContact O-N 3.14Å |
| 105 | A | 44.8 | Very low | 42.9 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | trans | -61 | 95.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | A103 N107 | A103-A105 VanDerWaalsContact C-N 3.3Å; A103-A105 PolarHBondContact O-N 2.74Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 PolarHBondContact O-N 3.27Å |
| 106 | Q | 38.4 | Very low | 42.8 | Very low | 183 Ų | 183 | 129.5 Ų | 129.5 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | | | trans | -68.2 | 103.6 | 166.1 | -71.3 | -158.6 | -49.1 | 0 | 0 | 106.3 | T104 G108 | T104-Q106 VanDerWaalsContact C-N 3.26Å; T104-Q106 PolarHBondContact O-N 3.14Å; Q106-G108 PolarHBondContact O-N 2.81Å |
| 107 | N | 45.4 | Very low | 42.3 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | | | trans | -43.3 | 102.5 | 163.1 | -175.6 | -25.6 | 0 | 0 | 0 | 108.5 | A105 T109 | A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 PolarHBondContact O-N 3.27Å; N107-T109 PolarHBondContact O-N 3.22Å |
| 108 | G | 39.4 | Very low | 41.7 | Very low | 63 Ų | 63 | 128.1 Ų | 128.1 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | trans | -69.5 | 99.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q106 N110 | Q106-G108 PolarHBondContact O-N 2.81Å; G108-N110 PolarHBondContact O-N 3.37Å |
| 109 | T | 44.5 | Very low | 41.1 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | | | trans | -63 | 121.3 | 169.9 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | N107 S111 | N107-T109 PolarHBondContact O-N 3.22Å; T109-S111 PolarHBondContact O-N 3.34Å |
| 110 | N | 45.7 | Very low | 40.1 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | trans | -42.9 | 123.2 | 165.2 | -22.2 | -43.8 | 0 | 0 | 0 | 110.9 | G108 | G108-N110 PolarHBondContact O-N 3.37Š|
| 111 | S | 39.3 | Very low | 39.5 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | trans | -177.1 | 85 | 143.6 | 51.9 | 0 | 0 | 0 | 0 | 111 | T109 A113 | T109-S111 PolarHBondContact O-N 3.34Å; S111-A113 VanDerWaalsContact C-N 3.27Å; S111-A113 PolarHBondContact O-N 3.47Å |
| 112 | H | 37.2 | Very low | 38.8 | Very low | 198 Ų | 198 | 117.1 Ų | 117.1 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | -80.7 | 87.6 | 146.1 | -85.3 | -88.8 | 0 | 0 | 0 | 106.9 | S114 | H112-S114 PolarHBondContact O-N 2.76Š|
| 113 | A | 38.8 | Very low | 38.3 | Very low | 91 Ų | 91 | 120 Ų | 120 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | -77.8 | 92.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | S111 A115 | S111-A113 VanDerWaalsContact C-N 3.27Å; S111-A113 PolarHBondContact O-N 3.47Å; A113-A115 VanDerWaalsContact C-N 3.33Å; A113-A115 PolarHBondContact O-N 3.28Å |
| 114 | S | 38.2 | Very low | 37.9 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -69.3 | 97 | 161.6 | 48.2 | 0 | 0 | 0 | 0 | 107.6 | H112 T116 | H112-S114 PolarHBondContact O-N 2.76Å; S114-T116 PolarHBondContact O-N 3.15Å |
| 115 | A | 38.2 | Very low | 37.9 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -67.4 | 96.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | A113 | A113-A115 VanDerWaalsContact C-N 3.33Å; A113-A115 PolarHBondContact O-N 3.28Å |
| 116 | T | 40.3 | Very low | 37.1 | Very low | 128 Ų | 128 | 121.1 Ų | 121.1 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -136.1 | 93.4 | 158.6 | 48.7 | 0 | 0 | 0 | 0 | 108 | S114 | S114-T116 PolarHBondContact O-N 3.15Š|
| 117 | A | 35.4 | Very low | 36.9 | Very low | 100 Ų | 100 | 116.7 Ų | 116.7 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | 167 | 101.4 | 147.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | A119 | A117-A119 PolarHBondContact O-N 3.05Š|
| 118 | D | 31.4 | Very low | 36.2 | Very low | 171 Ų | 171 | 116.1 Ų | 116.1 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | | | trans | -72.6 | 109.2 | 154.7 | 174.6 | 54.3 | 0 | 0 | 0 | 107.6 | | |
| 119 | A | 36.4 | Very low | 36 | Very low | 93 Ų | 93 | 121.2 Ų | 121.2 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | 179.4 | 121.3 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | A117 | A117-A119 PolarHBondContact O-N 3.05Š|
| 120 | G | 29.6 | Very low | 35.6 | Very low | 75 Ų | 75 | 124 Ų | 124 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | trans | 105.4 | 87.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 121 | A | 32.8 | Very low | 35 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | | | trans | 36.2 | 127.7 | 130.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 122 | G | 32.3 | Very low | 34.5 | Very low | 74 Ų | 74 | 121.4 Ų | 121.4 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | | | | 132.8 | 98.1 | 129.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 123 | K | 33.4 | Very low | 34.5 | Very low | 213 Ų | 213 | 115.4 Ų | 115.4 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | | | | 71.1 | 126.9 | 128.4 | -139.5 | 163.7 | 179.5 | -81 | 0 | 120.7 | | |
| 124 | A | 35.7 | Very low | 34.6 | Very low | 93 Ų | 93 | 117 Ų | 117 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | -69.9 | 156.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 125 | A | 38.5 | Very low | 34.9 | Very low | 89 Ų | 89 | 115.2 Ų | 115.2 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | | | | 164.3 | 125.1 | 118.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 126 | T | 28.1 | Very low | 35.5 | Very low | 139 Ų | 139 | 117.1 Ų | 117.1 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | 39.7 | 133.7 | 136.1 | 49.6 | 0 | 0 | 0 | 0 | 124.5 | | |
| 127 | A | 35.1 | Very low | 35.9 | Very low | 89 Ų | 89 | 118.1 Ų | 118.1 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | trans | 133.6 | 102.6 | 133.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 128 | T | 29.6 | Very low | 36.7 | Very low | 130 Ų | 130 | 117 Ų | 117 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | | | | 72.3 | 97 | 88.7 | -60.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 129 | E | 35.5 | Very low | 37.5 | Very low | 169 Ų | 169 | 114.9 Ų | 114.9 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | 44.1 | 123 | 130.4 | -52.8 | -77 | 124.6 | 0 | 0 | 119.4 | | |
| 130 | L | 35.4 | Very low | 38.6 | Very low | 178 Ų | 178 | 116.7 Ų | 116.7 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | | | | -166.9 | 141.5 | 121.2 | -101.1 | 143.4 | 0 | 0 | 0 | 112.7 | | |
| 131 | S | 34 | Very low | 39.9 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | 90.7 | 112.7 | 166.9 | -152.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 132 | G | 29.4 | Very low | 41.2 | Very low | 77 Ų | 77 | 120 Ų | 120 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | cis | 148.4 | 132.3 | 17.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 133 | G | 36.1 | Very low | 42.5 | Very low | 73 Ų | 73 | 119.2 Ų | 119.2 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | 148.8 | 76.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G135 | G133-G135 PolarHBondContact O-N 2.79Š|
| 134 | T | 40.3 | Very low | 43.7 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | 14.9 | 85.7 | 143.6 | -47.2 | 0 | 0 | 0 | 0 | 117 | N136 | T134-N136 WeakPolarHBondContact CG2-OD1 3.21Å; T134-N136 PolarHBondContact O-N 3.29Å |
| 135 | G | 45.7 | Very low | 44.7 | Very low | 68 Ų | 68 | 120 Ų | 120 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | trans | -81.5 | 90.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | G133 N137 | G133-G135 PolarHBondContact O-N 2.79Å; G135-N137 PolarHBondContact O-N 3.42Å |
| 136 | N | 50 | Low | 45.8 | Very low | 141 Ų | 141 | 120.3 Ų | 120.3 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | trans | -74.4 | 111.8 | 168 | -66.2 | -12.7 | 0 | 0 | 0 | 108.1 | T134 | T134-N136 WeakPolarHBondContact CG2-OD1 3.21Å; T134-N136 PolarHBondContact O-N 3.29Å |
| 137 | N | 49 | Very low | 47.5 | Very low | 150 Ų | 150 | 123 Ų | 123 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -47.5 | 142.9 | 176.6 | -71.9 | -48.2 | 0 | 0 | 0 | 112.6 | G135 V139 | G135-N137 PolarHBondContact O-N 3.42Å; N137-V139 PolarHBondContact O-N 2.95Å; N137-V139 VanDerWaalsContact O-N 3.12Å |
| 138 | G | 52.9 | Low | 48.9 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -55 | 112.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 139 | V | 47.9 | Very low | 50.4 | Low | 128 Ų | 128 | 126 Ų | 126 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -99 | 91.3 | 149 | 168.7 | 0 | 0 | 0 | 0 | 105.5 | N137 S141 | N137-V139 PolarHBondContact O-N 2.95Å; N137-V139 VanDerWaalsContact O-N 3.12Å; V139-S141 PolarHBondContact O-N 3Å |
| 140 | T | 58.6 | Low | 51.4 | Low | 130 Ų | 130 | 123.6 Ų | 123.6 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | | | trans | -71.7 | 75.8 | 156.6 | 53.1 | 0 | 0 | 0 | 0 | 106.7 | L142 | T140-L142 VanDerWaalsContact C-N 3.27Å; T140-L142 PolarHBondContact O-N 2.81Å |
| 141 | S | 57.1 | Low | 52.7 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | trans | -63.8 | 100.8 | 161.8 | 174 | 0 | 0 | 0 | 0 | 105.4 | V139 G143 | V139-S141 PolarHBondContact O-N 3Å; S141-G143 PolarHBondContact O-N 2.85Å |
| 142 | L | 60 | Low | 53.7 | Low | 160 Ų | 160 | 117.1 Ų | 117.1 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | | | trans | -59.1 | 88.9 | 163.6 | -79.5 | 160.2 | 0 | 0 | 0 | 106.1 | T140 Q144 | T140-L142 VanDerWaalsContact C-N 3.27Å; T140-L142 PolarHBondContact O-N 2.81Å; L142-Q144 PolarHBondContact O-N 2.98Å |
| 143 | G | 59.4 | Low | 55.2 | Low | 57 Ų | 57 | 119.5 Ų | 119.5 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | | | trans | -55.5 | 108.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | S141 V145 | S141-G143 PolarHBondContact O-N 2.85Å; G143-V145 PolarHBondContact O-N 2.85Å |
| 144 | Q | 60.1 | Low | 56.5 | Low | 192 Ų | 192 | 122.6 Ų | 122.6 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | | | trans | -60.1 | 104.6 | 173.8 | -72.8 | -179 | -38.9 | 0 | 0 | 107.5 | L142 S146 | L142-Q144 PolarHBondContact O-N 2.98Å; Q144-S146 VanDerWaalsContact C-N 3.33Å; Q144-S146 PolarHBondContact O-N 3.5Å |
| 145 | V | 56.3 | Low | 57.3 | Low | 130 Ų | 130 | 122.1 Ų | 122.1 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | | | trans | -72.7 | 95.7 | 170.3 | -177.9 | 0 | 0 | 0 | 0 | 106.7 | G143 K147 | G143-V145 PolarHBondContact O-N 2.85Å; V145-K147 PolarHBondContact O-N 3.14Å; V145-K147 VanDerWaalsContact O-N 3.1Å |
| 146 | S | 61.5 | Low | 57.9 | Low | 96 Ų | 96 | 123.3 Ų | 123.3 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | trans | -58.9 | 111.3 | 171.2 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | Q144 Q148 | Q144-S146 VanDerWaalsContact C-N 3.33Å; Q144-S146 PolarHBondContact O-N 3.5Å; S146-Q148 PolarHBondContact O-N 2.78Å |
| 147 | K | 63.6 | Low | 58.3 | Low | 196 Ų | 196 | 122.2 Ų | 122.2 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | | | trans | -77.8 | 64.5 | 168.6 | -62.6 | -168.5 | -178.3 | -164.1 | 0 | 108.7 | V145 V149 | V145-K147 PolarHBondContact O-N 3.14Å; V145-K147 VanDerWaalsContact O-N 3.1Å; K147-V149 VanDerWaalsContact C-N 3.33Å; K147-V149 PolarHBondContact O-N 3.34Å |
| 148 | Q | 64.1 | Low | 58.9 | Low | 159 Ų | 159 | 122.6 Ų | 122.6 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | -73.7 | 96.5 | 167 | -171.7 | 160.1 | 15.5 | 0 | 0 | 107.5 | S146 V150 | S146-Q148 PolarHBondContact O-N 2.78Å; Q148-V150 PolarHBondContact O-N 3.06Å |
| 149 | V | 60.6 | Low | 59.4 | Low | 124 Ų | 124 | 124.5 Ų | 124.5 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | -65.4 | 106 | 166.2 | 172.3 | 0 | 0 | 0 | 0 | 106.4 | K147 P151 | K147-V149 VanDerWaalsContact C-N 3.33Å; K147-V149 PolarHBondContact O-N 3.34Å; V149-P151 WeakPolarHBondContact O-CD 3.37Å |
| 150 | V | 56.7 | Low | 60.3 | Low | 117 Ų | 117 | 123.5 Ų | 123.5 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | | | trans | -63.7 | 121.9 | 165.9 | -179.3 | 0 | 0 | 0 | 0 | 106.1 | Q148 G152 | Q148-V150 PolarHBondContact O-N 3.06Å; V150-G152 PolarHBondContact O-N 2.85Å |
| 151 | P | 64.6 | Low | 60.5 | Low | 118 Ų | 118 | 122.7 Ų | 122.7 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | trans | -56.1 | 110.9 | 170.1 | -22.8 | 34 | 0 | 0 | 0 | 107.7 | V149 | V149-P151 WeakPolarHBondContact O-CD 3.37Š|
| 152 | G | 53.8 | Low | 60.7 | Low | 50 Ų | 50 | 124.2 Ų | 124.2 | 52% | 0.515 | 74% | 0.739 | S | S | . | * | | | trans | -56.3 | 154.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V150 T154 | V150-G152 PolarHBondContact O-N 2.85Å; G152-T154 PolarHBondContact O-N 3.43Å |
| 153 | P | 62.1 | Low | 60.8 | Low | 127 Ų | 127 | 125.3 Ų | 125.3 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | | | trans | -51.3 | 122.4 | 176.3 | 23.1 | -32.5 | 0 | 0 | 0 | 107.8 | S155 | P153-S155 VanDerWaalsContact C-N 3.31Å; P153-S155 PolarHBondContact O-N 3.05Å |
| 154 | T | 62.2 | Low | 60.9 | Low | 137 Ų | 137 | 132.4 Ų | 132.4 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | | | trans | -58.3 | 100.8 | 177.2 | 49.7 | 0 | 0 | 0 | 0 | 106.8 | G152 A156 | G152-T154 PolarHBondContact O-N 3.43Å; T154-A156 PolarHBondContact O-N 3.35Å; T154-A156 VanDerWaalsContact O-N 3.13Å |
| 155 | S | 58 | Low | 61.1 | Low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | | | trans | -49 | 125.2 | 170.8 | -67.2 | 0 | 0 | 0 | 0 | 106.7 | P153 S157 | P153-S155 VanDerWaalsContact C-N 3.31Å; P153-S155 PolarHBondContact O-N 3.05Å; S155-S157 VanDerWaalsContact C-N 3.31Å; S155-S157 PolarHBondContact O-N 3.24Å |
| 156 | A | 56.6 | Low | 61.3 | Low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | | | trans | -55.2 | 97.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109 | T154 H158 | T154-A156 PolarHBondContact O-N 3.35Å; T154-A156 VanDerWaalsContact O-N 3.13Å; A156-H158 PolarHBondContact O-N 3.4Å |
| 157 | S | 59.5 | Low | 61.3 | Low | 119 Ų | 119 | 136.1 Ų | 136.1 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | -68.3 | 118.1 | 168 | -179.7 | 0 | 0 | 0 | 0 | 105.7 | S155 | S155-S157 VanDerWaalsContact C-N 3.31Å; S155-S157 PolarHBondContact O-N 3.24Å |
| 158 | H | 60.9 | Low | 61.4 | Low | 157 Ų | 157 | 135.7 Ų | 135.7 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | trans | 83.9 | 99.7 | 173.1 | -142.9 | 66.9 | 0 | 0 | 0 | 116.4 | A156 V160 | A156-H158 PolarHBondContact O-N 3.4Å; H158-V160 WeakPolarHBondContact CD2-CG2 3.32Å |
| 159 | V | 63 | Low | 61.3 | Low | 116 Ų | 116 | 137.7 Ų | 137.7 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | | | trans | -85.4 | 104.2 | 158.8 | -176.7 | 0 | 0 | 0 | 0 | 107.2 | I161 | V159-I161 HydrophobicContact CG1-CG1 3.74Å; V159-I161 PolarHBondContact O-N 3.07Å |
| 160 | V | 66.8 | Low | 61.4 | Low | 107 Ų | 107 | 135.5 Ų | 135.5 | 65% | 0.648 | 76% | 0.757 | S | S | * | * | | | trans | -74.5 | 101.4 | 162.2 | -177.8 | 0 | 0 | 0 | 0 | 106.5 | H158 D162 | H158-V160 WeakPolarHBondContact CD2-CG2 3.32Å; V160-D162 PolarHBondContact O-N 3.33Å; V160-D162 VanDerWaalsContact O-N 3.14Å |
| 161 | I | 63.6 | Low | 61.6 | Low | 113 Ų | 113 | 135.9 Ų | 135.9 | 58% | 0.579 | 76% | 0.764 | S | S | * | * | | | trans | -76.3 | 100.9 | 170.5 | -57.3 | 176.3 | 0 | 0 | 0 | 106.5 | V159 E163 N166 | V159-I161 HydrophobicContact CG1-CG1 3.74Å; V159-I161 PolarHBondContact O-N 3.07Å; I161-E163 VanDerWaalsContact C-N 3.33Å; I161-E163 PolarHBondContact O-N 3.29Å; I161-N166 WeakPolarHBondContact CG2-ND2 3.18Å |
| 162 | D | 61.6 | Low | 61.8 | Low | 128 Ų | 128 | 136 Ų | 136 | 68% | 0.684 | 77% | 0.766 | S | S | * | * | | | trans | -64.6 | 97.9 | 163.7 | -116.5 | -40 | 0 | 0 | 0 | 107.8 | V160 K164 | V160-D162 PolarHBondContact O-N 3.33Å; V160-D162 VanDerWaalsContact O-N 3.14Å; D162-K164 PolarHBondContact O-N 3.25Å |
| 163 | E | 61.1 | Low | 62.2 | Low | 183 Ų | 183 | 140.2 Ų | 140.2 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -7.3 | -175.4 | -133.1 | 176.7 | 127.2 | 0 | 0 | 113.1 | I161 K165 | I161-E163 VanDerWaalsContact C-N 3.33Å; I161-E163 PolarHBondContact O-N 3.29Å; E163-K165 PolarHBondContact O-N 3.03Å |
| 164 | K | 62.2 | Low | 61.6 | Low | 205 Ų | 205 | 142 Ų | 142 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -9.2 | -173.7 | -155.2 | 170 | -179.3 | 175.2 | 0 | 115.1 | D162 | D162-K164 PolarHBondContact O-N 3.25Š|
| 165 | K | 63.5 | Low | 61.1 | Low | 184 Ų | 184 | 148 Ų | 148 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -124 | -8.5 | -177.8 | -163.7 | 172.4 | 176.4 | -177.4 | 0 | 116.7 | E163 K167 | E163-K165 PolarHBondContact O-N 3.03Å; K165-K167 VanDerWaalsContact C-N 3.35Å; K165-K167 PolarHBondContact O-N 3.05Å |
| 166 | N | 61.5 | Low | 61.2 | Low | 109 Ų | 109 | 149.8 Ų | 149.8 | 58% | 0.583 | 80% | 0.802 | S | S | * | * | | | trans | -94.3 | 54.2 | -168.6 | -58.6 | -27.7 | 0 | 0 | 0 | 113.5 | I161 K168 | I161-N166 WeakPolarHBondContact CG2-ND2 3.18Å; N166-K168 VanDerWaalsContact C-N 3.32Å; N166-K168 PolarHBondContact O-N 3.43Å |
| 167 | K | 61.3 | Low | 61.5 | Low | 203 Ų | 203 | 152.7 Ų | 152.7 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -76.9 | -6.2 | 178.7 | -96 | -177.6 | 176.8 | 176 | 0 | 115.6 | K165 | K165-K167 VanDerWaalsContact C-N 3.35Å; K165-K167 PolarHBondContact O-N 3.05Å |
| 168 | K | 66.3 | Low | 61.6 | Low | 187 Ų | 187 | 154.6 Ų | 154.6 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | -155.9 | 86 | -176.8 | -63.2 | -174.4 | -177.1 | 177.6 | 0 | 112.7 | N166 | N166-K168 VanDerWaalsContact C-N 3.32Å; N166-K168 PolarHBondContact O-N 3.43Å |
| 169 | K | 62.4 | Low | 61.6 | Low | 201 Ų | 201 | 154.5 Ų | 154.5 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -138.7 | 106.1 | 155.5 | -62.7 | -65.9 | 167.3 | -178.7 | 0 | 107.1 | | |
| 170 | G | 62.7 | Low | 61.5 | Low | 79 Ų | 79 | 156.9 Ų | 156.9 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 137 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 171 | C | 60.7 | Low | 61.2 | Low | 125 Ų | 125 | 160.2 Ų | 160.2 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 132.2 | 163.4 | 55.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 172 | C | 68.4 | Low | 61 | Low | 119 Ų | 119 | 163.6 Ų | 163.6 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 144.4 | -179.6 | -53.3 | 0 | 0 | 0 | 0 | 111 | | |
| 173 | V | 61.5 | Low | 61 | Low | 140 Ų | 140 | 166.3 Ų | 166.3 | 85% | 0.848 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -84 | 129.2 | 169 | 172 | 0 | 0 | 0 | 0 | 108.3 | | |
| 174 | L | 50.9 | Low | 61 | Low | 163 Ų | 163 | 164.9 Ų | 164.9 | 85% | 0.853 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 130.3 | 166.1 | -79.6 | 80.3 | 0 | 0 | 0 | 108.4 | | |
| 175 | Q | 50.4 | Low | 60.9 | Low | 264 Ų | 264 | 161.3 Ų | 161.3 | 100% | 1.234 | 85% | 0.85 | S | S | * | * | | | trans | -92.7 | 0 | 172.9 | -177.8 | 174.5 | -11.7 | 0 | 0 | 110.4 | | |