| 1 | M | 55.4 | Low | 68.3 | Low | 238 Ų | 238 | 130.1 Ų | 130.1 | 100% | 1.172 | 72% | 0.716 | S | S | * | * | | | | 0 | 107.9 | 0 | -68.5 | -163.8 | 160.7 | 0 | 0 | 105.6 | | |
| 2 | S | 58.6 | Low | 68.2 | Low | 128 Ų | 128 | 129.5 Ų | 129.5 | 90% | 0.895 | 71% | 0.71 | S | S | * | * | | | trans | -90.1 | 107.7 | -174.6 | -56.7 | 0 | 0 | 0 | 0 | 108 | N4 | S2-N4 PolarHBondContact O-N 3.49Š|
| 3 | E | 67.6 | Low | 68.6 | Low | 177 Ų | 177 | 124.4 Ų | 124.4 | 83% | 0.827 | 70% | 0.696 | S | S | * | * | | | trans | -69.5 | 112.3 | 176.6 | -67.4 | 178.2 | 165.8 | 0 | 0 | 108.3 | V5 | E3-V5 PolarHBondContact O-N 3.44Å; E3-V5 VanDerWaalsContact O-N 3.08Å |
| 4 | N | 73.8 | Confident | 68.5 | Low | 161 Ų | 161 | 124.9 Ų | 124.9 | 86% | 0.861 | 69% | 0.69 | S | S | * | * | | | trans | -76.7 | 92.4 | 175.7 | -159.8 | 24.3 | 0 | 0 | 0 | 106.9 | S2 P6 | S2-N4 PolarHBondContact O-N 3.49Å; N4-P6 VanDerWaalsContact O-CD 3.26Å; N4-P6 WeakPolarHBondContact O-CD 3.26Å |
| 5 | V | 68.1 | Low | 68.1 | Low | 119 Ų | 119 | 120.7 Ų | 120.7 | 72% | 0.721 | 68% | 0.679 | S | S | * | * | | | trans | -75.8 | 112.3 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | E3 S7 | E3-V5 PolarHBondContact O-N 3.44Å; E3-V5 VanDerWaalsContact O-N 3.08Å; V5-S7 PolarHBondContact O-N 3.17Å |
| 6 | P | 67.4 | Low | 67.8 | Low | 61 Ų | 61 | 122.8 Ų | 122.8 | 40% | 0.396 | 68% | 0.681 | S | S | . | * | | | trans | -62.9 | 130.5 | 178.7 | 25.2 | -32 | 0 | 0 | 0 | 109.1 | N4 | N4-P6 VanDerWaalsContact O-CD 3.26Å; N4-P6 WeakPolarHBondContact O-CD 3.26Å |
| 7 | S | 73.1 | Confident | 67.4 | Low | 75 Ų | 75 | 123.9 Ų | 123.9 | 52% | 0.524 | 68% | 0.68 | S | S | . | * | | | trans | -59.5 | 139.4 | 176 | 175.6 | 0 | 0 | 0 | 0 | 109.2 | V5 L9 E10 | V5-S7 PolarHBondContact O-N 3.17Å; S7-L9 PolarHBondContact O-N 3.11Å; S7-E10 PolarHBondContact O-N 2.89Å |
| 8 | S | 72.8 | Confident | 67 | Low | 88 Ų | 88 | 126.2 Ų | 126.2 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -43.9 | -22.1 | 176.5 | 56.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 9 | L | 69.4 | Low | 66.5 | Low | 132 Ų | 132 | 123.8 Ų | 123.8 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.6 | -36.1 | 177.8 | -155.5 | 153.6 | 0 | 0 | 0 | 112.9 | S7 Q11 L12 A13 | S7-L9 PolarHBondContact O-N 3.11Å; L9-Q11 VanDerWaalsContact C-N 3.34Å; L9-L12 PolarHBondContact O-N 2.89Å; L9-A13 PolarHBondContact O-N 3.25Å |
| 10 | E | 71.6 | Confident | 66 | Low | 129 Ų | 129 | 121.3 Ų | 121.3 | 60% | 0.603 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.5 | -33.1 | 177 | -76.7 | -178.4 | 156.7 | 0 | 0 | 112 | S7 L12 A13 E14 | S7-E10 PolarHBondContact O-N 2.89Å; E10-L12 VanDerWaalsContact C-N 3.29Å; E10-L12 PolarHBondContact O-N 3.32Å; E10-A13 PolarHBondContact O-N 2.94Å; E10-E14 PolarHBondContact O-N 2.79Å |
| 11 | Q | 73 | Confident | 65.3 | Low | 123 Ų | 123 | 122.7 Ų | 122.7 | 58% | 0.575 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -65.3 | -31.8 | 177.8 | -67.5 | -178.1 | -10.7 | 0 | 0 | 112.8 | L9 A15 | L9-Q11 VanDerWaalsContact C-N 3.34Å; Q11-A15 PolarHBondContact O-N 3.48Å |
| 12 | L | 68.2 | Low | 64.9 | Low | 123 Ų | 123 | 115.9 Ų | 115.9 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.4 | -36.6 | 176.7 | -75.2 | 169.3 | 0 | 0 | 0 | 112.1 | L9 E10 A15 E16 | L9-L12 PolarHBondContact O-N 2.89Å; E10-L12 VanDerWaalsContact C-N 3.29Å; E10-L12 PolarHBondContact O-N 3.32Å; L12-A15 PolarHBondContact O-N 3.08Å; L12-E16 PolarHBondContact O-N 3.43Å |
| 13 | A | 72.6 | Confident | 64.1 | Low | 63 Ų | 63 | 120.3 Ų | 120.3 | 52% | 0.521 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -67 | -36.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L9 E10 | L9-A13 PolarHBondContact O-N 3.25Å; E10-A13 PolarHBondContact O-N 2.94Å |
| 14 | E | 67.3 | Low | 63.4 | Low | 131 Ų | 131 | 117.5 Ų | 117.5 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.9 | -38.5 | 174.1 | -103.3 | -179.4 | 164.9 | 0 | 0 | 112.1 | E10 E16 Q17 F18 | E10-E14 PolarHBondContact O-N 2.79Å; E14-E16 PolarHBondContact O-N 3.26Å; E14-Q17 PolarHBondContact O-N 3.28Å; E14-F18 VanDerWaalsContact O-CD2 3.27Å; E14-F18 WeakPolarHBondContact O-CD2 3.38Å |
| 15 | A | 63 | Low | 62.1 | Low | 63 Ų | 63 | 117.7 Ų | 117.7 | 52% | 0.521 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65 | -36.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q11 L12 Q17 | Q11-A15 PolarHBondContact O-N 3.48Å; L12-A15 PolarHBondContact O-N 3.08Å; A15-Q17 VanDerWaalsContact C-N 3.33Å; A15-Q17 PolarHBondContact O-N 3.37Å |
| 16 | E | 63.6 | Low | 61.3 | Low | 153 Ų | 153 | 121.4 Ų | 121.4 | 72% | 0.715 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.9 | -32.1 | 178.2 | -72 | -170.1 | 162.5 | 0 | 0 | 112.6 | L12 E14 F18 A19 | L12-E16 PolarHBondContact O-N 3.43Å; E14-E16 PolarHBondContact O-N 3.26Å; E16-F18 VanDerWaalsContact C-N 3.34Å; E16-F18 PolarHBondContact O-N 3.15Å; E16-A19 PolarHBondContact O-N 2.87Å |
| 17 | Q | 61 | Low | 60.6 | Low | 142 Ų | 142 | 124.2 Ų | 124.2 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69.9 | -31.6 | -178.4 | -149 | 176.6 | 32.8 | 0 | 0 | 112.6 | E14 A15 S20 | E14-Q17 PolarHBondContact O-N 3.28Å; A15-Q17 VanDerWaalsContact C-N 3.33Å; A15-Q17 PolarHBondContact O-N 3.37Å; Q17-S20 PolarHBondContact O-OG 2.97Å; Q17-S20 VanDerWaalsContact O-OG 3.06Å |
| 18 | F | 58.7 | Low | 59.6 | Low | 165 Ų | 165 | 127 Ų | 127 | 72% | 0.724 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.9 | -25.9 | 176.8 | -78 | -76 | 0 | 0 | 0 | 113.6 | E14 E16 S20 | E14-F18 VanDerWaalsContact O-CD2 3.27Å; E14-F18 WeakPolarHBondContact O-CD2 3.38Å; E16-F18 VanDerWaalsContact C-N 3.34Å; E16-F18 PolarHBondContact O-N 3.15Å; F18-S20 VanDerWaalsContact C-N 3.3Å; F18-S20 PolarHBondContact O-N 2.95Å |
| 19 | A | 58.5 | Low | 58.8 | Low | 81 Ų | 81 | 127.9 Ų | 127.9 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.6 | -24.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E16 | E16-A19 PolarHBondContact O-N 2.87Å |
| 20 | S | 56.6 | Low | 58 | Low | 74 Ų | 74 | 127.7 Ų | 127.7 | 52% | 0.517 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.9 | -9.7 | -176.2 | 22 | 0 | 0 | 0 | 0 | 116.1 | Q17 F18 | Q17-S20 PolarHBondContact O-OG 2.97Å; Q17-S20 VanDerWaalsContact O-OG 3.06Å; F18-S20 VanDerWaalsContact C-N 3.3Å; F18-S20 PolarHBondContact O-N 2.95Å |
| 21 | N | 51.5 | Low | 57.2 | Low | 150 Ų | 150 | 124.4 Ų | 124.4 | 80% | 0.802 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 12.3 | -170.3 | -83.3 | -19.1 | 0 | 0 | 0 | 116.5 | | |
| 22 | S | 47.3 | Very low | 56.3 | Low | 96 Ų | 96 | 124.9 Ų | 124.9 | 67% | 0.671 | 68% | 0.676 | S | S | * | * | | | trans | -113.9 | 73.5 | 173.3 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | P24 | S22-P24 VanDerWaalsContact O-CD 3.26Å; S22-P24 WeakPolarHBondContact O-CD 3.27Å |
| 23 | Y | 42.1 | Very low | 55.6 | Low | 220 Ų | 220 | 123 Ų | 123 | 86% | 0.863 | 67% | 0.669 | S | S | * | * | | | trans | -88.4 | 108.4 | 157.7 | -86.5 | -85.8 | 0 | 0 | 0 | 108.5 | E25 | Y23-E25 PolarHBondContact O-N 2.82Š|
| 24 | P | 51.9 | Low | 54.7 | Low | 118 Ų | 118 | 125.5 Ų | 125.5 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | | | trans | -71.1 | 121.6 | 170.7 | 27.5 | -31.1 | 0 | 0 | 0 | 109.7 | S22 | S22-P24 VanDerWaalsContact O-CD 3.26Å; S22-P24 WeakPolarHBondContact O-CD 3.27Å |
| 25 | E | 46.7 | Very low | 54.1 | Low | 166 Ų | 166 | 124.8 Ų | 124.8 | 78% | 0.776 | 67% | 0.674 | S | S | * | * | | | trans | -51.6 | 125.8 | -178.2 | -146.8 | 176 | 172.7 | 0 | 0 | 112.5 | Y23 N27 | Y23-E25 PolarHBondContact O-N 2.82Å; E25-N27 PolarHBondContact O-N 3.3Å |
| 26 | K | 51.7 | Low | 53.7 | Low | 197 Ų | 197 | 129 Ų | 129 | 86% | 0.857 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -76.1 | 35.1 | -171.3 | -70.6 | 179.5 | 174 | 173 | 0 | 115 | | |
| 27 | N | 51.3 | Low | 53.1 | Low | 120 Ų | 120 | 127.1 Ų | 127.1 | 64% | 0.642 | 68% | 0.676 | S | S | * | * | | | trans | -104.1 | 13.6 | -168.9 | -67.9 | -10.5 | 0 | 0 | 0 | 115.7 | E25 | E25-N27 PolarHBondContact O-N 3.3Š|
| 28 | N | 52.6 | Low | 52.8 | Low | 133 Ų | 133 | 127.5 Ų | 127.5 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -108.9 | 10.8 | -172.9 | -124.6 | -13.5 | 0 | 0 | 0 | 115.9 | | |
| 29 | V | 56.5 | Low | 52.5 | Low | 107 Ų | 107 | 127 Ų | 127 | 65% | 0.648 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -86.7 | -34.2 | 179.1 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | A31 L32 | V29-A31 PolarHBondContact O-N 3.43Å; V29-L32 PolarHBondContact O-N 3.31Å |
| 30 | D | 52.4 | Low | 52 | Low | 128 Ų | 128 | 127.2 Ų | 127.2 | 68% | 0.684 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -25.7 | -172.9 | -66.6 | -27.5 | 0 | 0 | 0 | 113.7 | L32 | D30-L32 VanDerWaalsContact C-N 3.3Å; D30-L32 PolarHBondContact O-N 3.37Å |
| 31 | A | 55.3 | Low | 51.2 | Low | 60 Ų | 60 | 129.3 Ų | 129.3 | 50% | 0.496 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -67.2 | -29.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V29 | V29-A31 PolarHBondContact O-N 3.43Å |
| 32 | L | 52.9 | Low | 50.9 | Low | 132 Ų | 132 | 127.6 Ų | 127.6 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -82.6 | -17 | -176 | -72.4 | 171.2 | 0 | 0 | 0 | 113.9 | V29 D30 | V29-L32 PolarHBondContact O-N 3.31Å; D30-L32 VanDerWaalsContact C-N 3.3Å; D30-L32 PolarHBondContact O-N 3.37Å |
| 33 | V | 55.1 | Low | 50.8 | Low | 84 Ų | 84 | 130.6 Ų | 130.6 | 51% | 0.509 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -77 | -36.4 | -178.8 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | D35 F36 | V33-D35 PolarHBondContact O-N 3.3Å; V33-F36 PolarHBondContact O-N 3.09Å |
| 34 | N | 52.8 | Low | 51 | Low | 115 Ų | 115 | 124.9 Ų | 124.9 | 62% | 0.615 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -70.9 | -28.3 | -176.1 | -71.7 | -23.9 | 0 | 0 | 0 | 113.9 | F36 | N34-F36 VanDerWaalsContact C-N 3.25Å; N34-F36 PolarHBondContact O-N 2.82Å |
| 35 | D | 54.5 | Low | 50.7 | Low | 116 Ų | 116 | 125.5 Ų | 125.5 | 62% | 0.62 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -72.8 | -19.9 | 177.9 | -76.3 | -10.5 | 0 | 0 | 0 | 112.7 | V33 | V33-D35 PolarHBondContact O-N 3.3Å |
| 36 | F | 54.9 | Low | 50.8 | Low | 152 Ų | 152 | 125.8 Ų | 125.8 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -79.2 | -32.4 | -176.4 | -160.3 | -96.2 | 0 | 0 | 0 | 112.9 | V33 N34 L38 S40 | V33-F36 PolarHBondContact O-N 3.09Å; N34-F36 VanDerWaalsContact C-N 3.25Å; N34-F36 PolarHBondContact O-N 2.82Å; F36-L38 PolarHBondContact O-N 3.36Å; F36-S40 PolarHBondContact O-OG 3.2Å |
| 37 | D | 52 | Low | 50.4 | Low | 114 Ų | 114 | 125.9 Ų | 125.9 | 61% | 0.61 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -72.8 | -28.3 | -177.7 | -74.7 | -19.7 | 0 | 0 | 0 | 112.5 | L39 | D37-L39 PolarHBondContact O-N 3.27Å |
| 38 | L | 54.4 | Low | 49.9 | Very low | 150 Ų | 150 | 124.9 Ų | 124.9 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -22.5 | 178.9 | -112.5 | 92.6 | 0 | 0 | 0 | 114.3 | F36 S40 | F36-L38 PolarHBondContact O-N 3.36Å; L38-S40 VanDerWaalsContact C-N 3.34Å |
| 39 | L | 51.6 | Low | 49.4 | Very low | 155 Ų | 155 | 124.7 Ų | 124.7 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -3.5 | -177.8 | -94.6 | 87.3 | 0 | 0 | 0 | 114.2 | D37 | D37-L39 PolarHBondContact O-N 3.27Š|
| 40 | S | 47.3 | Very low | 48.6 | Very low | 84 Ų | 84 | 127 Ų | 127 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -99 | 4.5 | -167.3 | -59.7 | 0 | 0 | 0 | 0 | 115.4 | F36 L38 | F36-S40 PolarHBondContact O-OG 3.2Å; L38-S40 VanDerWaalsContact C-N 3.34Å |
| 41 | T | 41.3 | Very low | 48.2 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | | | trans | -117.1 | 73.6 | -178.3 | 60.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 42 | S | 44.2 | Very low | 47.6 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | | | trans | -160 | 64.7 | 164.5 | -71.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 43 | D | 46 | Very low | 47.2 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | | | trans | -120.4 | 88.8 | 166.2 | -90.3 | -21.9 | 0 | 0 | 0 | 109.4 | T45 | D43-T45 PolarHBondContact O-N 2.81Š|
| 44 | S | 44.8 | Very low | 46.6 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -71.9 | 97.2 | 165.4 | 171.6 | 0 | 0 | 0 | 0 | 108.9 | E46 | S44-E46 PolarHBondContact O-N 2.94Š|
| 45 | T | 46.8 | Very low | 46 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | -92.7 | 90.2 | 169.7 | 50.1 | 0 | 0 | 0 | 0 | 109.5 | D43 | D43-T45 PolarHBondContact O-N 2.81Š|
| 46 | E | 47.8 | Very low | 45.2 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -67 | 146.5 | 169.7 | -72.4 | -179.3 | 172.4 | 0 | 0 | 111.8 | S44 A48 | S44-E46 PolarHBondContact O-N 2.94Å; E46-A48 PolarHBondContact O-N 3Å |
| 47 | K | 44.7 | Very low | 44.6 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | | | trans | -69.2 | 111.7 | -164.3 | -61 | 174.6 | 176 | -179.9 | 0 | 112 | V49 | K47-V49 PolarHBondContact O-N 3.46Š|
| 48 | A | 40.4 | Very low | 44 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -81.2 | 110.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | E46 L50 | E46-A48 PolarHBondContact O-N 3Å; A48-L50 PolarHBondContact O-N 3.34Å |
| 49 | V | 41.8 | Very low | 43.3 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -68.1 | 119.2 | 174.5 | 174.5 | 0 | 0 | 0 | 0 | 109.1 | K47 I51 | K47-V49 PolarHBondContact O-N 3.46Å; V49-I51 PolarHBondContact O-N 3.06Å |
| 50 | L | 39.3 | Very low | 42.9 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | trans | -74.5 | 116.8 | 172 | -130.6 | 89 | 0 | 0 | 0 | 108.1 | A48 | A48-L50 PolarHBondContact O-N 3.34Š|
| 51 | I | 44.3 | Very low | 42.5 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -88.9 | 114.8 | 171 | -62 | 173.1 | 0 | 0 | 0 | 107 | V49 A53 | V49-I51 PolarHBondContact O-N 3.06Å; I51-A53 PolarHBondContact O-N 3.44Å |
| 52 | D | 41.8 | Very low | 42.5 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 122.2 | 174.6 | -82.3 | -35.8 | 0 | 0 | 0 | 110.2 | | |
| 53 | A | 44.5 | Very low | 42.2 | Very low | 98 Ų | 98 | 145.8 Ų | 145.8 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84 | 128.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I51 | I51-A53 PolarHBondContact O-N 3.44Š|
| 54 | E | 43 | Very low | 41.7 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 133.2 | -176 | -60 | 178.5 | 152.6 | 0 | 0 | 113.2 | G56 | E54-G56 PolarHBondContact O-N 3.25Š|
| 55 | K | 40.6 | Very low | 41.2 | Very low | 211 Ų | 211 | 148.4 Ų | 148.4 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | trans | -79.8 | 103.3 | 167.7 | -91.7 | 177.8 | 172.4 | 177.3 | 0 | 108.8 | | |
| 56 | G | 37.8 | Very low | 40.7 | Very low | 78 Ų | 78 | 150.1 Ų | 150.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -72.6 | 120.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | E54 | E54-G56 PolarHBondContact O-N 3.25Š|
| 57 | D | 42.5 | Very low | 40 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -81.8 | 125.7 | -179.2 | -126 | -19.7 | 0 | 0 | 0 | 111.1 | | |
| 58 | Q | 38.5 | Very low | 39.4 | Very low | 157 Ų | 157 | 142 Ų | 142 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | 15.3 | 107.4 | 147.8 | -66.1 | 170.5 | 87.3 | 0 | 0 | 118.3 | | |
| 59 | V | 40.4 | Very low | 39.3 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | | | trans | -96.5 | 114.8 | 153.6 | 176.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 60 | E | 42.5 | Very low | 39.1 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 65% | 0.654 | 79% | 0.794 | S | S | * | * | | | trans | -57.1 | 131.5 | 165.4 | -64.4 | -80.3 | 141.3 | 0 | 0 | 110.1 | | |
| 61 | D | 40.5 | Very low | 39.1 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -155.2 | 97.7 | 147.3 | -98.5 | -25.6 | 0 | 0 | 0 | 107.7 | | |
| 62 | E | 39.7 | Very low | 38.6 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -60.8 | 159.4 | 165.3 | -83.3 | -173.9 | 130.2 | 0 | 0 | 111.7 | | |
| 63 | L | 37.9 | Very low | 38.4 | Very low | 134 Ų | 134 | 139 Ų | 139 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | | | trans | 82.9 | 97.5 | 156.9 | -128.5 | 80.1 | 0 | 0 | 0 | 116.4 | | |
| 64 | F | 36.3 | Very low | 38.3 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | | | | -174 | 83.8 | 113 | -95.8 | -70.9 | 0 | 0 | 0 | 108.6 | | |
| 65 | T | 34 | Very low | 38.2 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -70.9 | 118.3 | 149.2 | 33.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 66 | N | 36.5 | Very low | 38.5 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | | | trans | 167.4 | 132.6 | 137.1 | -82.6 | -24.7 | 0 | 0 | 0 | 110.7 | | |
| 67 | G | 32.5 | Very low | 38.8 | Very low | 70 Ų | 70 | 140.7 Ų | 140.7 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | 116.1 | 62.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L69 | G67-L69 VanDerWaalsContact C-N 3.29Å; G67-L69 PolarHBondContact O-N 2.86Å |
| 68 | T | 32.2 | Very low | 38.9 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -65.9 | 90.1 | 155.4 | -31.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 69 | L | 38.6 | Very low | 39 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | | | trans | -109 | 87.3 | 166.4 | -145.1 | 93.5 | 0 | 0 | 0 | 108.2 | G67 N71 | G67-L69 VanDerWaalsContact C-N 3.29Å; G67-L69 PolarHBondContact O-N 2.86Å; L69-N71 PolarHBondContact O-N 2.67Å |
| 70 | C | 38.5 | Very low | 39.3 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | | | trans | -73.6 | 78.5 | 170.2 | -59.9 | 0 | 0 | 0 | 0 | 108.7 | G72 | C70-G72 PolarHBondContact O-N 2.97Š|
| 71 | N | 39 | Very low | 39.4 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | -75.1 | 118.8 | 162.8 | -97.7 | -3.2 | 0 | 0 | 0 | 108.3 | L69 | L69-N71 PolarHBondContact O-N 2.67Š|
| 72 | G | 32.8 | Very low | 39.4 | Very low | 58 Ų | 58 | 144 Ų | 144 | 60% | 0.598 | 79% | 0.79 | S | S | * | * | | | trans | -60.9 | 164.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C70 | C70-G72 PolarHBondContact O-N 2.97Š|
| 73 | N | 39 | Very low | 39.5 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | 100.3 | 44.5 | 169.6 | -47.2 | -20.9 | 0 | 0 | 0 | 116.4 | | |
| 74 | E | 42.5 | Very low | 39.7 | Very low | 194 Ų | 194 | 143.6 Ų | 143.6 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | | | trans | -127 | 116.5 | 156.8 | -69.5 | -169.5 | 172.7 | 0 | 0 | 111 | | |
| 75 | K | 39.8 | Very low | 39.9 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | trans | -53 | 147.8 | -176.7 | -65.9 | 164.8 | -179.8 | 174.5 | 0 | 110.3 | S77 | K75-S77 PolarHBondContact O-N 2.73Š|
| 76 | P | 47 | Very low | 40.3 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -59.3 | 104.5 | 179.7 | 24.3 | -32.3 | 0 | 0 | 0 | 109.4 | C78 | P76-C78 VanDerWaalsContact C-N 3.32Å; P76-C78 PolarHBondContact O-N 3.17Å |
| 77 | S | 43.9 | Very low | 40.2 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -61.9 | 98 | 169 | 173.7 | 0 | 0 | 0 | 0 | 107.4 | K75 R79 | K75-S77 PolarHBondContact O-N 2.73Å; S77-R79 PolarHBondContact O-N 3.01Å |
| 78 | C | 44.8 | Very low | 40.6 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -65.6 | 74.8 | 168.8 | -64.8 | 0 | 0 | 0 | 0 | 108.4 | P76 P80 | P76-C78 VanDerWaalsContact C-N 3.32Å; P76-C78 PolarHBondContact O-N 3.17Å; C78-P80 WeakPolarHBondContact O-CD 3.4Å |
| 79 | R | 40.6 | Very low | 41.2 | Very low | 216 Ų | 216 | 142.9 Ų | 142.9 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | | | trans | -75.4 | 113 | 169.3 | -156.1 | 176.3 | -172.3 | 178.4 | 2.4 | 107.1 | S77 R81 | S77-R79 PolarHBondContact O-N 3.01Å; R79-R81 PolarHBondContact O-N 3.42Å; R79-R81 VanDerWaalsContact O-N 3.12Å |
| 80 | P | 46.6 | Very low | 41.2 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -62.4 | 119.1 | 176.9 | -15.3 | 30.1 | 0 | 0 | 0 | 107.5 | C78 S82 | C78-P80 WeakPolarHBondContact O-CD 3.4Å; P80-S82 PolarHBondContact O-N 3.19Å; P80-S82 VanDerWaalsContact O-N 3.13Å |
| 81 | R | 44.9 | Very low | 41.4 | Very low | 237 Ų | 237 | 141.5 Ų | 141.5 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | | | trans | -67.7 | 110.7 | 169.7 | -75.3 | -179.9 | 167.6 | 131.3 | -1.9 | 106.7 | R79 M83 | R79-R81 PolarHBondContact O-N 3.42Å; R79-R81 VanDerWaalsContact O-N 3.12Å; R81-M83 PolarHBondContact O-N 3.41Å; R81-M83 VanDerWaalsContact O-N 3.1Å |
| 82 | S | 40.8 | Very low | 41.7 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -51.2 | 112.9 | 169 | 42.3 | 0 | 0 | 0 | 0 | 109.2 | P80 S84 | P80-S82 PolarHBondContact O-N 3.19Å; P80-S82 VanDerWaalsContact O-N 3.13Å; S82-S84 PolarHBondContact O-N 3.37Å; S82-S84 VanDerWaalsContact O-N 3.09Å |
| 83 | M | 42 | Very low | 42.3 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 89% | 0.892 | 83% | 0.825 | S | S | * | * | | | trans | -66.5 | 103 | 171.7 | -67.3 | -92.3 | -70.1 | 0 | 0 | 106.7 | R81 E85 | R81-M83 PolarHBondContact O-N 3.41Å; R81-M83 VanDerWaalsContact O-N 3.1Å; M83-E85 PolarHBondContact O-N 3.2Å; M83-E85 VanDerWaalsContact O-N 3.12Å |
| 84 | S | 40.8 | Very low | 42.2 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | | | trans | -61.4 | 114.1 | 172.5 | 52.4 | 0 | 0 | 0 | 0 | 108.3 | S82 S86 | S82-S84 PolarHBondContact O-N 3.37Å; S82-S84 VanDerWaalsContact O-N 3.09Å; S84-S86 PolarHBondContact O-N 2.97Å |
| 85 | E | 41.4 | Very low | 42.4 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | | | trans | -52.6 | 112.3 | 171.7 | -71.7 | 172.7 | 147.2 | 0 | 0 | 108.7 | M83 C87 | M83-E85 PolarHBondContact O-N 3.2Å; M83-E85 VanDerWaalsContact O-N 3.12Å; E85-C87 PolarHBondContact O-N 3.43Å; E85-C87 VanDerWaalsContact O-N 3.12Å |
| 86 | S | 42.3 | Very low | 42.6 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -66.9 | 110 | 175.4 | 50.7 | 0 | 0 | 0 | 0 | 108.6 | S84 | S84-S86 PolarHBondContact O-N 2.97Š|
| 87 | C | 34.5 | Very low | 43 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | | | trans | -41.8 | 131.2 | 165.5 | -96.1 | 0 | 0 | 0 | 0 | 110.5 | E85 T89 | E85-C87 PolarHBondContact O-N 3.43Å; E85-C87 VanDerWaalsContact O-N 3.12Å; C87-T89 PolarHBondContact O-N 3.09Å |
| 88 | P | 41.2 | Very low | 43.1 | Very low | 127 Ų | 127 | 153 Ų | 153 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | -66.5 | 96.1 | 173.9 | 27.2 | -32 | 0 | 0 | 0 | 108.7 | A90 | P88-A90 PolarHBondContact O-N 3.1Š|
| 89 | T | 43.5 | Very low | 43.2 | Very low | 125 Ų | 125 | 158 Ų | 158 | 77% | 0.767 | 82% | 0.822 | S | S | * | * | | | trans | -55.3 | 112.7 | 165.4 | 26.3 | 0 | 0 | 0 | 0 | 107.8 | C87 V91 | C87-T89 PolarHBondContact O-N 3.09Å; T89-V91 PolarHBondContact O-N 3.01Å |
| 90 | A | 40.2 | Very low | 43.4 | Very low | 98 Ų | 98 | 155.4 Ų | 155.4 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | | | trans | -42.2 | 102.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P88 K92 | P88-A90 PolarHBondContact O-N 3.1Å; A90-K92 VanDerWaalsContact C-N 3.31Å; A90-K92 PolarHBondContact O-N 2.73Å |
| 91 | V | 42.5 | Very low | 43.5 | Very low | 132 Ų | 132 | 158.8 Ų | 158.8 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | | | trans | -70.2 | 95.6 | 173.7 | -179.5 | 0 | 0 | 0 | 0 | 106.2 | T89 K93 | T89-V91 PolarHBondContact O-N 3.01Å; V91-K93 PolarHBondContact O-N 2.94Å |
| 92 | K | 43.8 | Very low | 43.3 | Very low | 202 Ų | 202 | 152.9 Ų | 152.9 | 88% | 0.878 | 82% | 0.82 | S | S | * | * | | | trans | -51.6 | 107.4 | 171.6 | -168.4 | 172 | -179.6 | 177.4 | 0 | 107.3 | A90 G94 | A90-K92 VanDerWaalsContact C-N 3.31Å; A90-K92 PolarHBondContact O-N 2.73Å; K92-G94 VanDerWaalsContact C-N 3.3Å; K92-G94 PolarHBondContact O-N 2.82Å |
| 93 | K | 46.3 | Very low | 43.3 | Very low | 207 Ų | 207 | 152.8 Ų | 152.8 | 90% | 0.9 | 82% | 0.819 | S | S | * | * | | | trans | -58.2 | 85.9 | -178.8 | -75.9 | 175.8 | 173.6 | 175.7 | 0 | 110.2 | V91 | V91-K93 PolarHBondContact O-N 2.94Š|
| 94 | G | 37.6 | Very low | 43.3 | Very low | 65 Ų | 65 | 151.9 Ų | 151.9 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | | | trans | -99.4 | 92.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | K92 L96 | K92-G94 VanDerWaalsContact C-N 3.3Å; K92-G94 PolarHBondContact O-N 2.82Å; G94-L96 PolarHBondContact O-N 3Å |
| 95 | I | 45.6 | Very low | 43.4 | Very low | 150 Ų | 150 | 152.2 Ų | 152.2 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | trans | 31.7 | 81.8 | 148.9 | -48.1 | 163 | 0 | 0 | 0 | 115 | K97 | I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 HydrophobicContact CG2-CG 4.2Å; I95-K97 PolarHBondContact O-N 3.2Å |
| 96 | L | 45.1 | Very low | 43.2 | Very low | 169 Ų | 169 | 151.3 Ų | 151.3 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | | | trans | -70.5 | 92.9 | 163.7 | -164.9 | 75 | 0 | 0 | 0 | 107.9 | G94 R98 | G94-L96 PolarHBondContact O-N 3Å; L96-R98 PolarHBondContact O-N 2.78Å |
| 97 | K | 53.7 | Low | 43 | Very low | 189 Ų | 189 | 151.5 Ų | 151.5 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | | | trans | -56.1 | 104 | 173.5 | -73 | -172.1 | 174.3 | -175.8 | 0 | 108.8 | I95 R99 | I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 HydrophobicContact CG2-CG 4.2Å; I95-K97 PolarHBondContact O-N 3.2Å; K97-R99 PolarHBondContact O-N 3.31Å |
| 98 | R | 47.1 | Very low | 43.1 | Very low | 235 Ų | 235 | 154.8 Ų | 154.8 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | | | trans | -61.1 | 106 | 171.6 | -70.9 | -176.8 | -171.9 | 139 | 0.4 | 107.9 | L96 L100 | L96-R98 PolarHBondContact O-N 2.78Å; R98-L100 PolarHBondContact O-N 2.91Å; R98-L100 VanDerWaalsContact O-N 3.14Å |
| 99 | R | 47.8 | Very low | 43.3 | Very low | 222 Ų | 222 | 154 Ų | 154 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | | | trans | -65.6 | 108 | 168.1 | -127.2 | 174.2 | 177.2 | 158.8 | -3.2 | 106.6 | K97 F101 | K97-R99 PolarHBondContact O-N 3.31Å; R99-F101 WeakPolarHBondContact O-CD2 3.41Å; R99-F101 PolarHBondContact O-N 3.22Å; R99-F101 VanDerWaalsContact O-N 3.15Å |
| 100 | L | 44.3 | Very low | 43.2 | Very low | 161 Ų | 161 | 151.8 Ų | 151.8 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -65.1 | 108.6 | 169.7 | -72.4 | 163.8 | 0 | 0 | 0 | 107.1 | R98 C102 | R98-L100 PolarHBondContact O-N 2.91Å; R98-L100 VanDerWaalsContact O-N 3.14Å; L100-C102 PolarHBondContact O-N 3.33Å; L100-C102 VanDerWaalsContact O-N 3.15Å |
| 101 | F | 48.4 | Very low | 43.5 | Very low | 191 Ų | 191 | 154.8 Ų | 154.8 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | -73 | 97.9 | 167.6 | -73.1 | -89.4 | 0 | 0 | 0 | 107.2 | R99 S103 | R99-F101 WeakPolarHBondContact O-CD2 3.41Å; R99-F101 PolarHBondContact O-N 3.22Å; R99-F101 VanDerWaalsContact O-N 3.15Å; F101-S103 PolarHBondContact O-N 3.02Å; F101-S103 VanDerWaalsContact O-N 3.13Å |
| 102 | C | 40.3 | Very low | 44 | Very low | 114 Ų | 114 | 155 Ų | 155 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | -70.2 | 99.3 | 163.6 | -74.1 | 0 | 0 | 0 | 0 | 107.7 | L100 L104 | L100-C102 PolarHBondContact O-N 3.33Å; L100-C102 VanDerWaalsContact O-N 3.15Å; C102-L104 PolarHBondContact O-N 2.95Å |
| 103 | S | 41.5 | Very low | 44.1 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | trans | -70.2 | 102.7 | 168.5 | 43.3 | 0 | 0 | 0 | 0 | 109.1 | F101 | F101-S103 PolarHBondContact O-N 3.02Å; F101-S103 VanDerWaalsContact O-N 3.13Å |
| 104 | L | 41.9 | Very low | 44.4 | Very low | 162 Ų | 162 | 148 Ų | 148 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | -83.5 | 111.5 | 162.9 | -64.1 | 168.7 | 0 | 0 | 0 | 106.9 | C102 | C102-L104 PolarHBondContact O-N 2.95Š|
| 105 | S | 43.5 | Very low | 44.6 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -117.2 | 93.4 | 164.6 | 60.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 106 | E | 35.8 | Very low | 44.6 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | | | trans | -80.7 | 131.4 | 170.2 | -87.3 | 177.2 | 141.6 | 0 | 0 | 110.7 | | |
| 107 | C | 38.1 | Very low | 44.3 | Very low | 117 Ų | 117 | 153.2 Ų | 153.2 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | 58.8 | 117.8 | 136.3 | -55.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 108 | E | 38 | Very low | 43.9 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | | | trans | -38.4 | 159.2 | 138.8 | -99.7 | -155.3 | 155.5 | 0 | 0 | 112.7 | | |
| 109 | P | 44.6 | Very low | 43.7 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | | | cis | -144.7 | 177.4 | 33.7 | 38.1 | -17.2 | 0 | 0 | 0 | 115.3 | | |
| 110 | A | 41.7 | Very low | 43.3 | Very low | 80 Ų | 80 | 142.6 Ų | 142.6 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | | | | 173.5 | 114.5 | 122.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I112 | A110-I112 PolarHBondContact O-N 3.14Š|
| 111 | D | 46.3 | Very low | 43.2 | Very low | 161 Ų | 161 | 143 Ų | 143 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | -52.3 | 94 | 164.6 | -65.7 | -58.2 | 0 | 0 | 0 | 111.7 | S113 | D111-S113 VanDerWaalsContact C-N 3.3Å; D111-S113 PolarHBondContact O-N 2.8Å; D111-S113 VanDerWaalsContact O-N 3.11Å |
| 112 | I | 53 | Low | 42.8 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | | | trans | -85.1 | 86 | 165.2 | -48.2 | 179.6 | 0 | 0 | 0 | 107.5 | A110 L114 | A110-I112 PolarHBondContact O-N 3.14Å; I112-L114 HydrophobicContact CG2-CD1 4.47Å; I112-L114 HydrophobicContact CG2-CD2 3.71Å; I112-L114 HydrophobicContact CG2-CG 3.68Å; I112-L114 PolarHBondContact O-N 2.74Å |
| 113 | S | 45.6 | Very low | 43.2 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -63.6 | 84 | 161.8 | -68.1 | 0 | 0 | 0 | 0 | 109.1 | D111 S115 | D111-S113 VanDerWaalsContact C-N 3.3Å; D111-S113 PolarHBondContact O-N 2.8Å; D111-S113 VanDerWaalsContact O-N 3.11Å; S113-S115 PolarHBondContact O-N 3.21Å |
| 114 | L | 52.3 | Low | 43.1 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | | | trans | -73.6 | 105 | 170.8 | -71.7 | 174.5 | 0 | 0 | 0 | 108.9 | I112 K116 | I112-L114 HydrophobicContact CG2-CD1 4.47Å; I112-L114 HydrophobicContact CG2-CD2 3.71Å; I112-L114 HydrophobicContact CG2-CG 3.68Å; I112-L114 PolarHBondContact O-N 2.74Å; L114-K116 PolarHBondContact O-N 3.13Å |
| 115 | S | 43.1 | Very low | 43.2 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -56.1 | 129.4 | 170.9 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | S113 | S113-S115 PolarHBondContact O-N 3.21Š|
| 116 | K | 44.1 | Very low | 43.2 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -76.4 | 120 | 171.6 | -63 | 168.1 | 179.1 | 174.6 | 0 | 108.1 | L114 | L114-K116 PolarHBondContact O-N 3.13Š|
| 117 | E | 40.2 | Very low | 43.6 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | | | trans | -172.6 | 107.5 | 135.6 | -109.3 | 169.4 | 170.1 | 0 | 0 | 113 | | |
| 118 | S | 44 | Very low | 43.9 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | | | trans | 18.8 | 111.7 | 143.7 | 59.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 119 | V | 43.2 | Very low | 44.3 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | -133.8 | 106.5 | 134.3 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | L121 | V119-L121 PolarHBondContact O-N 3.15Š|
| 120 | Q | 39.1 | Very low | 44.5 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -65.1 | 122.2 | 168.7 | -73.4 | 175.7 | -11.2 | 0 | 0 | 109.8 | | |
| 121 | L | 42.9 | Very low | 45 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | | | trans | -145 | 119.9 | 145 | -81.2 | -178 | 0 | 0 | 0 | 110.5 | V119 | V119-L121 PolarHBondContact O-N 3.15Š|
| 122 | K | 40.3 | Very low | 45.1 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -45 | 132.8 | -180 | -67.4 | 156.2 | 173.2 | 173.8 | 0 | 114.4 | | |
| 123 | S | 47.7 | Very low | 45.2 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | trans | -157.1 | 112.7 | 132.5 | -81.3 | 0 | 0 | 0 | 0 | 109 | | |
| 124 | C | 40 | Very low | 45.6 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | | | trans | -86.1 | 116.4 | 177.8 | -59.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 125 | S | 44.2 | Very low | 45.6 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -140.7 | 92.3 | 144.7 | 59.6 | 0 | 0 | 0 | 0 | 107.2 | | |
| 126 | S | 42.7 | Very low | 46.3 | Very low | 95 Ų | 95 | 143.8 Ų | 143.8 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | | | trans | -63.8 | 123.5 | 171.7 | 172.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 127 | L | 45.5 | Very low | 47.1 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -139.5 | 84.5 | 143.3 | -113.7 | 148.8 | 0 | 0 | 0 | 105.2 | S129 | L127-S129 PolarHBondContact O-N 2.95Å; L127-S129 VanDerWaalsContact O-N 3.15Å |
| 128 | E | 43.9 | Very low | 48 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -62.4 | 103.7 | 169.2 | -66 | -172.3 | 155.2 | 0 | 0 | 109.1 | | |
| 129 | S | 46.3 | Very low | 48.9 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | -109.1 | 79.2 | 149.6 | 35.4 | 0 | 0 | 0 | 0 | 107 | L127 D131 | L127-S129 PolarHBondContact O-N 2.95Å; L127-S129 VanDerWaalsContact O-N 3.15Å; S129-D131 PolarHBondContact O-N 2.88Å; S129-D131 VanDerWaalsContact O-N 3.09Å |
| 130 | N | 47.7 | Very low | 49.8 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 65% | 0.652 | 78% | 0.778 | S | S | * | * | | | trans | -83.5 | 62.3 | 176.9 | -154.7 | 16.4 | 0 | 0 | 0 | 109.5 | L132 | N130-L132 WeakPolarHBondContact OD1-CD1 3.47Š|
| 131 | D | 52.1 | Low | 50.8 | Low | 141 Ų | 141 | 144.9 Ų | 144.9 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | trans | -102.2 | 83.8 | 166.5 | -78.5 | -35.7 | 0 | 0 | 0 | 108.2 | S129 S133 | S129-D131 PolarHBondContact O-N 2.88Å; S129-D131 VanDerWaalsContact O-N 3.09Å; D131-S133 PolarHBondContact O-N 2.86Å |
| 132 | L | 49.7 | Very low | 51.3 | Low | 155 Ų | 155 | 141.5 Ų | 141.5 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | -65.2 | 36 | 166.2 | -78.6 | 144.6 | 0 | 0 | 0 | 112.2 | N130 N134 | N130-L132 WeakPolarHBondContact OD1-CD1 3.47Å; L132-N134 PolarHBondContact O-N 3.07Å |
| 133 | S | 55.7 | Low | 51.8 | Low | 71 Ų | 71 | 140.5 Ų | 140.5 | 50% | 0.497 | 76% | 0.764 | S | S | . | * | | | trans | -78.3 | 115.9 | 163.6 | 73 | 0 | 0 | 0 | 0 | 106.6 | D131 T135 | D131-S133 PolarHBondContact O-N 2.86Å; S133-T135 PolarHBondContact O-N 3.35Å; S133-T135 PolarHBondContact O-OG1 3.15Å; S133-T135 WeakPolarHBondContact OG-CG2 3.26Å |
| 134 | N | 52.4 | Low | 52 | Low | 169 Ų | 169 | 142.2 Ų | 142.2 | 90% | 0.904 | 76% | 0.758 | S | S | * | * | | | trans | -65.5 | 53.3 | 176.9 | -155.1 | -7.7 | 0 | 0 | 0 | 110.5 | L132 K136 | L132-N134 PolarHBondContact O-N 3.07Å; N134-K136 PolarHBondContact O-N 3.14Å; N134-K136 VanDerWaalsContact O-N 3.17Å |
| 135 | T | 53 | Low | 52.5 | Low | 98 Ų | 98 | 142 Ų | 142 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | | | trans | -83.2 | 97.8 | -179.2 | 48.4 | 0 | 0 | 0 | 0 | 105.8 | S133 K137 | S133-T135 PolarHBondContact O-N 3.35Å; S133-T135 PolarHBondContact O-OG1 3.15Å; S133-T135 WeakPolarHBondContact OG-CG2 3.26Å; T135-K137 PolarHBondContact O-N 3.02Å |
| 136 | K | 58.8 | Low | 52.9 | Low | 183 Ų | 183 | 144 Ų | 144 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | trans | -33.8 | 107.8 | 161.9 | -77 | 173.7 | 174.7 | 176.6 | 0 | 108.1 | N134 T138 | N134-K136 PolarHBondContact O-N 3.14Å; N134-K136 VanDerWaalsContact O-N 3.17Å; K136-T138 PolarHBondContact O-N 3.44Å |
| 137 | K | 59.3 | Low | 53.5 | Low | 198 Ų | 198 | 150.3 Ų | 150.3 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | | | trans | -68.2 | 83.8 | 169.2 | -67.3 | -177.2 | -179.9 | 178.9 | 0 | 106 | T135 V139 | T135-K137 PolarHBondContact O-N 3.02Å; K137-V139 VanDerWaalsContact C-N 3.3Å; K137-V139 PolarHBondContact O-N 3.24Å |
| 138 | T | 58.8 | Low | 53.5 | Low | 114 Ų | 114 | 150 Ų | 150 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | trans | -63.9 | 101.6 | 163.9 | 30.5 | 0 | 0 | 0 | 0 | 105.6 | K136 R140 | K136-T138 PolarHBondContact O-N 3.44Å; T138-R140 PolarHBondContact O-N 3.45Å |
| 139 | V | 63.8 | Low | 53.8 | Low | 105 Ų | 105 | 148 Ų | 148 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | | | trans | -58 | 97.6 | 166.2 | 177.4 | 0 | 0 | 0 | 0 | 105.6 | K137 F141 | K137-V139 VanDerWaalsContact C-N 3.3Å; K137-V139 PolarHBondContact O-N 3.24Å; V139-F141 VanDerWaalsContact C-N 3.29Å; V139-F141 HydrophobicContact CG1-CD1 4.43Å; V139-F141 HydrophobicContact CG1-CE1 4.23Å; V139-F141 HydrophobicContact CG1-CE2 4.33Å; V139-F141 HydrophobicContact CG1-CZ 4.18Å; V139-F141 WeakPolarHBondContact O-CD2 3.48Å; V139-F141 PolarHBondContact O-N 3.16Å |
| 140 | R | 61.4 | Low | 53.8 | Low | 228 Ų | 228 | 152.6 Ų | 152.6 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | | | trans | -69.6 | 96.9 | 168.5 | -74.7 | -172.9 | 166.2 | 165.4 | -2.5 | 105.2 | T138 S142 | T138-R140 PolarHBondContact O-N 3.45Å; R140-S142 PolarHBondContact O-N 2.84Å |
| 141 | F | 60.1 | Low | 53.7 | Low | 182 Ų | 182 | 157.3 Ų | 157.3 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | | | trans | -56.8 | 107.6 | 166.5 | -66.5 | -81.7 | 0 | 0 | 0 | 106.4 | V139 E143 | V139-F141 VanDerWaalsContact C-N 3.29Å; V139-F141 HydrophobicContact CG1-CD1 4.43Å; V139-F141 HydrophobicContact CG1-CE1 4.23Å; V139-F141 HydrophobicContact CG1-CE2 4.33Å; V139-F141 HydrophobicContact CG1-CZ 4.18Å; V139-F141 WeakPolarHBondContact O-CD2 3.48Å; V139-F141 PolarHBondContact O-N 3.16Å; F141-E143 PolarHBondContact O-N 3.23Å |
| 142 | S | 53.4 | Low | 53.5 | Low | 96 Ų | 96 | 154.1 Ų | 154.1 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | | | trans | -55.7 | 124.8 | 172.2 | 42.7 | 0 | 0 | 0 | 0 | 107.7 | R140 E144 | R140-S142 PolarHBondContact O-N 2.84Å; S142-E144 PolarHBondContact O-N 3.48Å |
| 143 | E | 52.3 | Low | 53.4 | Low | 174 Ų | 174 | 155.1 Ų | 155.1 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -62.8 | 65.4 | 177.1 | -169.9 | 176.8 | -170 | 0 | 0 | 110.4 | F141 | F141-E143 PolarHBondContact O-N 3.23Š|
| 144 | E | 50.2 | Low | 53.2 | Low | 162 Ų | 162 | 157.4 Ų | 157.4 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | | | trans | -125.3 | 22.5 | 179.1 | -150 | -179.8 | -177.7 | 0 | 0 | 112.5 | S142 | S142-E144 PolarHBondContact O-N 3.48Š|
| 145 | I | 52.1 | Low | 53.1 | Low | 128 Ų | 128 | 160.1 Ų | 160.1 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | | | trans | -94.3 | -4.4 | 173.7 | -55.1 | 179.7 | 0 | 0 | 0 | 111.9 | R147 I149 | I145-R147 PolarHBondContact O-N 3.49Å; I145-I149 HydrophobicContact CG2-CD1 3.88Å; I145-I149 HydrophobicContact CG2-CG1 4.49Å |
| 146 | E | 52.8 | Low | 53.2 | Low | 160 Ų | 160 | 161 Ų | 161 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -17.9 | -175 | -66.5 | -156.7 | 149.9 | 0 | 0 | 115 | | |
| 147 | R | 54.1 | Low | 52.9 | Low | 228 Ų | 228 | 158.4 Ų | 158.4 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -11.5 | -172.2 | -70 | -172.2 | 178.9 | 165.6 | 1.9 | 116.4 | I145 | I145-R147 PolarHBondContact O-N 3.49Š|
| 148 | N | 45.5 | Very low | 52.6 | Low | 160 Ų | 160 | 153.2 Ų | 153.2 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | -1.7 | -175.2 | -75.3 | -19.4 | 0 | 0 | 0 | 116 | | |
| 149 | I | 50.2 | Low | 52.2 | Low | 125 Ų | 125 | 154.6 Ų | 154.6 | 64% | 0.641 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -86.3 | -10.8 | 178.1 | -60.9 | -179.8 | 0 | 0 | 0 | 112.7 | I145 | I145-I149 HydrophobicContact CG2-CD1 3.88Å; I145-I149 HydrophobicContact CG2-CG1 4.49Å |
| 150 | Y | 45.5 | Very low | 51.8 | Low | 205 Ų | 205 | 161.2 Ų | 161.2 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | -105.5 | 58.1 | -177.7 | -112.8 | -87.3 | 0 | 0 | 0 | 114.5 | P152 | Y150-P152 VanDerWaalsContact C-CD 3.48Š|
| 151 | R | 45.7 | Very low | 51.5 | Low | 222 Ų | 222 | 161.8 Ų | 161.8 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | | | trans | -134.1 | 50.4 | 149.4 | -74.9 | -162.9 | 176.8 | -177.3 | 1.4 | 113.9 | Y153 | R151-Y153 PolarHBondContact O-N 3.37Š|
| 152 | P | 48.8 | Very low | 51.4 | Low | 74 Ų | 74 | 162.5 Ų | 162.5 | 48% | 0.481 | 75% | 0.754 | S | S | . | * | S | Bend | trans | -69.7 | 104.9 | 164 | 31.9 | -30.4 | 0 | 0 | 0 | 108.3 | Y150 T154 | Y150-P152 VanDerWaalsContact C-CD 3.48Å; P152-T154 PolarHBondContact O-N 3.45Å |
| 153 | Y | 47.1 | Very low | 51.4 | Low | 176 Ų | 176 | 166 Ų | 166 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 77.8 | 19.1 | 148.1 | -50.6 | -69.2 | 0 | 0 | 0 | 121.4 | R151 R155 I156 | R151-Y153 PolarHBondContact O-N 3.37Å; Y153-R155 PolarHBondContact O-N 3.01Å; Y153-I156 HydrophobicContact CD1-CD1 3.61Å; Y153-I156 HydrophobicContact CD1-CG1 4.41Å; Y153-I156 HydrophobicContact CE1-CD1 4.24Å; Y153-I156 PolarHBondContact O-N 3.1Å |
| 154 | T | 52.1 | Low | 51.5 | Low | 119 Ų | 119 | 169.5 Ų | 169.5 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -11.4 | 168.7 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | P152 | P152-T154 PolarHBondContact O-N 3.45Š|
| 155 | R | 50.3 | Low | 51.8 | Low | 225 Ų | 225 | 171.3 Ų | 171.3 | 85% | 0.849 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -8.5 | 173.8 | -89.7 | -173.3 | -178.6 | 174.3 | 1.5 | 115.6 | Y153 | Y153-R155 PolarHBondContact O-N 3.01Š|
| 156 | I | 54.5 | Low | 52 | Low | 118 Ų | 118 | 175 Ų | 175 | 61% | 0.605 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -93 | -12.3 | -175.6 | -56.4 | -175.3 | 0 | 0 | 0 | 113 | Y153 S158 | Y153-I156 HydrophobicContact CD1-CD1 3.61Å; Y153-I156 HydrophobicContact CD1-CG1 4.41Å; Y153-I156 HydrophobicContact CE1-CD1 4.24Å; Y153-I156 PolarHBondContact O-N 3.1Å; I156-S158 PolarHBondContact O-N 3.36Å |
| 157 | V | 52.9 | Low | 52.2 | Low | 128 Ų | 128 | 179.5 Ų | 179.5 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -14.7 | -176.4 | -164.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 158 | S | 52.3 | Low | 52.3 | Low | 89 Ų | 89 | 178.1 Ų | 178.1 | 62% | 0.622 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -16.8 | -174.4 | 68 | 0 | 0 | 0 | 0 | 115.9 | I156 | I156-S158 PolarHBondContact O-N 3.36Š|
| 159 | N | 51.1 | Low | 52.7 | Low | 142 Ų | 142 | 182.2 Ų | 182.2 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -103.9 | -1.2 | -167.4 | -69.4 | -6.3 | 0 | 0 | 0 | 115.6 | R161 | N159-R161 PolarHBondContact O-N 3.43Š|
| 160 | R | 54.9 | Low | 52.7 | Low | 245 Ų | 245 | 184.9 Ų | 184.9 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 9.2 | -177.7 | -148.8 | 177.1 | 178.9 | 177.5 | -0.3 | 115.3 | | |
| 161 | R | 55.7 | Low | 52.9 | Low | 239 Ų | 239 | 182.3 Ų | 182.3 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 12.7 | -173.1 | -135.5 | 179 | -174.2 | 174 | 1.8 | 117.2 | N159 | N159-R161 PolarHBondContact O-N 3.43Š|
| 162 | K | 58 | Low | 53.1 | Low | 197 Ų | 197 | 176.6 Ų | 176.6 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -113 | 6.1 | -173.7 | -68.6 | -168.7 | 179.3 | -179.9 | 0 | 118.7 | | |
| 163 | N | 53.4 | Low | 53 | Low | 169 Ų | 169 | 181 Ų | 181 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | | | trans | -118.5 | 30 | -178.6 | -69.5 | -21.8 | 0 | 0 | 0 | 115.9 | | |
| 164 | R | 53.4 | Low | 53.1 | Low | 248 Ų | 248 | 177.7 Ų | 177.7 | 94% | 0.936 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -106.5 | 37 | 177.2 | -156.8 | -169.6 | 170.1 | 164.6 | -2.6 | 114.5 | | |
| 165 | K | 56.4 | Low | 52.7 | Low | 201 Ų | 201 | 180.2 Ų | 180.2 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -152.9 | 44.5 | 177.6 | -142.6 | 176.7 | -174.8 | 178.8 | 0 | 117.1 | | |
| 166 | K | 57.5 | Low | 52.2 | Low | 205 Ų | 205 | 174.2 Ų | 174.2 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -151.9 | 59.2 | 164.7 | -68.2 | -160.4 | 179.9 | -174.3 | 0 | 114.2 | | |
| 167 | R | 56 | Low | 51.7 | Low | 255 Ų | 255 | 173.1 Ų | 173.1 | 96% | 0.962 | 84% | 0.835 | S | S | * | * | | | trans | -148.6 | 70.6 | 159.8 | -75.5 | -171.6 | 111.5 | 155.1 | -0.1 | 109.9 | | |
| 168 | K | 57.1 | Low | 51.1 | Low | 198 Ų | 198 | 174.6 Ų | 174.6 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | | | trans | -150.1 | 86.3 | 164.5 | -158.1 | 177.8 | -172.7 | -177 | 0 | 107.1 | | |
| 169 | R | 53.4 | Low | 50.6 | Low | 246 Ų | 246 | 179.6 Ų | 179.6 | 93% | 0.928 | 85% | 0.852 | S | S | * | * | S | Bend | trans | 161.1 | 75.6 | 164.7 | -89.7 | 158.3 | -172.5 | -131.1 | 2.1 | 108.7 | | |
| 170 | Q | 50.7 | Low | 50.2 | Low | 182 Ų | 182 | 179.5 Ų | 179.5 | 85% | 0.85 | 86% | 0.856 | S | S | * | * | | | trans | 178.2 | 78.7 | 151.4 | -107.4 | 179.3 | -10.3 | 0 | 0 | 109.5 | | |
| 171 | T | 49 | Very low | 49.3 | Very low | 151 Ų | 151 | 171.7 Ų | 171.7 | 93% | 0.926 | 84% | 0.844 | S | S | * | * | | | trans | -146.2 | 65.6 | 142.5 | 46.2 | 0 | 0 | 0 | 0 | 105.2 | | |
| 172 | S | 51.1 | Low | 48.5 | Very low | 101 Ų | 101 | 167.9 Ų | 167.9 | 71% | 0.706 | 84% | 0.841 | S | S | * | * | | | trans | -87.6 | 117.4 | 155 | 49 | 0 | 0 | 0 | 0 | 106.1 | | |
| 173 | L | 45.8 | Very low | 47.6 | Very low | 167 Ų | 167 | 164.5 Ų | 164.5 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | | | trans | -158.6 | 133.1 | 134.3 | -101.1 | 159.1 | 0 | 0 | 0 | 107.3 | | |
| 174 | P | 50.5 | Low | 46.9 | Very low | 107 Ų | 107 | 165.9 Ų | 165.9 | 70% | 0.695 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 141.3 | -170 | 34.7 | -29.7 | 0 | 0 | 0 | 109.6 | S176 | P174-S176 PolarHBondContact O-N 3.13Å; P174-S176 VanDerWaalsContact O-N 3.16Å |
| 175 | N | 42.7 | Very low | 46 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 91% | 0.914 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 120.8 | 165.5 | -85.8 | -14.6 | 0 | 0 | 0 | 108.6 | | |
| 176 | S | 40.4 | Very low | 45.2 | Very low | 99 Ų | 99 | 155 Ų | 155 | 69% | 0.692 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 164.8 | 177 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | P174 | P174-S176 PolarHBondContact O-N 3.13Å; P174-S176 VanDerWaalsContact O-N 3.16Å |
| 177 | S | 43.3 | Very low | 44.3 | Very low | 96 Ų | 96 | 153.3 Ų | 153.3 | 67% | 0.671 | 82% | 0.824 | S | S | * | * | | | trans | 65.8 | 99.1 | 156.3 | 63.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 178 | N | 40.9 | Very low | 43.8 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | | -144 | 113.7 | 110.8 | -85.6 | -25.9 | 0 | 0 | 0 | 108.4 | T180 | N178-T180 PolarHBondContact O-N 3.49Š|
| 179 | E | 41.5 | Very low | 43.1 | Very low | 195 Ų | 195 | 144.9 Ų | 144.9 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | trans | -63.5 | 117.9 | 165.9 | -71 | 171.9 | 133.1 | 0 | 0 | 108.6 | | |
| 180 | T | 42.1 | Very low | 42.6 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -129.8 | 92.1 | 151.1 | -6.7 | 0 | 0 | 0 | 0 | 106.2 | N178 | N178-T180 PolarHBondContact O-N 3.49Š|
| 181 | A | 37.4 | Very low | 42.1 | Very low | 82 Ų | 82 | 139.8 Ų | 139.8 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | -67.4 | 165.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 182 | L | 37.4 | Very low | 41.8 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | 90.2 | 120.5 | 176.4 | -48.8 | 171.5 | 0 | 0 | 0 | 112.9 | | |
| 183 | T | 38.7 | Very low | 41.5 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | cis | -165.7 | 133.1 | 3.6 | 7 | 0 | 0 | 0 | 0 | 105.7 | | |
| 184 | E | 39 | Very low | 41.3 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | | | trans | -58.7 | 145.6 | 164.7 | -71.5 | 175.2 | 142 | 0 | 0 | 111.2 | | |
| 185 | G | 35.8 | Very low | 41 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | 106.8 | 91.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 186 | L | 38.7 | Very low | 41.2 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | | -167.1 | 102.5 | 116.9 | -140.1 | 82.1 | 0 | 0 | 0 | 109.6 | T188 | L186-T188 HydrophobicContact CD2-CG2 3.64Å; L186-T188 HydrophobicContact CG-CG2 4.22Å; L186-T188 PolarHBondContact O-N 3.46Å; L186-T188 VanDerWaalsContact O-N 3.09Å |
| 187 | D | 39.2 | Very low | 41.2 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | trans | -66.3 | 98.7 | 158.9 | -80.3 | -43.4 | 0 | 0 | 0 | 108.2 | | |
| 188 | T | 44.4 | Very low | 41 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 60% | 0.601 | 79% | 0.794 | S | S | * | * | | | trans | -115.7 | 95.5 | 158.4 | 50.5 | 0 | 0 | 0 | 0 | 109 | L186 S190 | L186-T188 HydrophobicContact CD2-CG2 3.64Å; L186-T188 HydrophobicContact CG-CG2 4.22Å; L186-T188 PolarHBondContact O-N 3.46Å; L186-T188 VanDerWaalsContact O-N 3.09Å; T188-S190 PolarHBondContact O-N 3.35Å |
| 189 | L | 43.1 | Very low | 41.1 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | | | trans | -45.6 | 99.3 | 154.4 | -74.9 | 154.8 | 0 | 0 | 0 | 109.9 | | |
| 190 | S | 42.9 | Very low | 41.2 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -127.5 | 94.5 | 163.1 | -73.3 | 0 | 0 | 0 | 0 | 108.9 | T188 | T188-S190 PolarHBondContact O-N 3.35Š|
| 191 | K | 40 | Very low | 41.3 | Very low | 218 Ų | 218 | 139 Ų | 139 | 95% | 0.948 | 79% | 0.791 | S | S | * | * | | | trans | -63.5 | 119.6 | 160 | -92.5 | 169 | 166.1 | 172.1 | 0 | 109.1 | | |
| 192 | S | 43.6 | Very low | 41.4 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | | | trans | -156.4 | 92.9 | 152.4 | 52.9 | 0 | 0 | 0 | 0 | 104.6 | | |
| 193 | S | 43.2 | Very low | 41.7 | Very low | 87 Ų | 87 | 140.9 Ų | 140.9 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | | | | 48 | 122.3 | 87.5 | 84.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 194 | E | 43.1 | Very low | 41.8 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | 64.5 | 102 | 164.3 | -57.7 | 109.9 | -170.7 | 0 | 0 | 117.5 | | |
| 195 | D | 44 | Very low | 42 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | | -168 | 105.4 | 108.2 | -90.9 | -24.5 | 0 | 0 | 0 | 110.9 | | |
| 196 | L | 45.8 | Very low | 42.3 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | | | trans | -78.2 | 111.4 | 160.2 | -68.6 | 165.8 | 0 | 0 | 0 | 107.1 | | |
| 197 | S | 40.9 | Very low | 42.4 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | 169 | 122.3 | 130.4 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 198 | S | 39.1 | Very low | 42.6 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | trans | 60.7 | 96.6 | 130.8 | -54.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 199 | F | 43.6 | Very low | 42.6 | Very low | 214 Ų | 214 | 136.1 Ų | 136.1 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | | | | -145.1 | 104.6 | 121.5 | -87.9 | -72.3 | 0 | 0 | 0 | 109.4 | S201 | F199-S201 PolarHBondContact O-N 2.95Š|
| 200 | N | 43.3 | Very low | 42.7 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | | | trans | -55.5 | 122.1 | 155.4 | -73 | -26.7 | 0 | 0 | 0 | 108.3 | | |
| 201 | S | 44.7 | Very low | 42.3 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -133.6 | 86.1 | 150 | 76.6 | 0 | 0 | 0 | 0 | 108.5 | F199 V203 | F199-S201 PolarHBondContact O-N 2.95Å; S201-V203 PolarHBondContact O-N 2.97Å |
| 202 | E | 38.9 | Very low | 42.7 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -50.7 | 112.7 | 146.7 | -86 | 175.7 | 129.6 | 0 | 0 | 108.4 | F204 | E202-F204 HydrophobicContact CB-CD2 4.37Å; E202-F204 HydrophobicContact CG-CD2 4.13Å; E202-F204 HydrophobicContact CG-CE2 4.03Å; E202-F204 WeakPolarHBondContact OE1-CE2 3.21Å |
| 203 | V | 44.6 | Very low | 42.9 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | -129 | 83.1 | 147.6 | -176.6 | 0 | 0 | 0 | 0 | 106.3 | S201 A205 | S201-V203 PolarHBondContact O-N 2.97Å; V203-A205 HydrophobicContact CG1-CB 4.42Å; V203-A205 PolarHBondContact O-N 2.68Å |
| 204 | F | 40.7 | Very low | 43.3 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | | | trans | -54.6 | 115.3 | 153.8 | -81.2 | -92.5 | 0 | 0 | 0 | 108.3 | E202 | E202-F204 HydrophobicContact CB-CD2 4.37Å; E202-F204 HydrophobicContact CG-CD2 4.13Å; E202-F204 HydrophobicContact CG-CE2 4.03Å; E202-F204 WeakPolarHBondContact OE1-CE2 3.21Å |
| 205 | A | 41.5 | Very low | 43.8 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | | | trans | -142.1 | 90.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V203 | V203-A205 HydrophobicContact CG1-CB 4.42Å; V203-A205 PolarHBondContact O-N 2.68Å |
| 206 | S | 41.9 | Very low | 43.9 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | trans | 66.9 | 69.3 | 133 | -157.4 | 0 | 0 | 0 | 0 | 117.2 | V208 | S206-V208 PolarHBondContact O-N 2.78Å; S206-V208 WeakPolarHBondContact OG-CG2 3.24Å |
| 207 | V | 42.1 | Very low | 43.9 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | trans | -76.6 | 93 | 140.9 | -177.3 | 0 | 0 | 0 | 0 | 105.7 | S209 | V207-S209 PolarHBondContact O-N 3.38Š|
| 208 | V | 42.3 | Very low | 44 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | | | trans | -47.4 | 97.6 | 175.7 | 177.3 | 0 | 0 | 0 | 0 | 109 | S206 K210 | S206-V208 PolarHBondContact O-N 2.78Å; S206-V208 WeakPolarHBondContact OG-CG2 3.24Å; V208-K210 PolarHBondContact O-N 2.89Å |
| 209 | S | 45.1 | Very low | 44.2 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | -65 | 91 | 162.8 | 53.2 | 0 | 0 | 0 | 0 | 106.7 | V207 C211 | V207-S209 PolarHBondContact O-N 3.38Å; S209-C211 VanDerWaalsContact C-N 3.29Å; S209-C211 PolarHBondContact O-N 2.79Å |
| 210 | K | 44.6 | Very low | 44.2 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | -59.5 | 97.1 | 163.3 | -102.2 | 172.6 | 172.8 | 175.3 | 0 | 106.8 | V208 P212 | V208-K210 PolarHBondContact O-N 2.89Å; K210-P212 VanDerWaalsContact O-CD 3.24Å; K210-P212 WeakPolarHBondContact O-CD 3.33Å |
| 211 | C | 36.3 | Very low | 44.6 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | | | trans | -63.1 | 117.1 | 158.5 | -69 | 0 | 0 | 0 | 0 | 106.5 | S209 T213 | S209-C211 VanDerWaalsContact C-N 3.29Å; S209-C211 PolarHBondContact O-N 2.79Å; C211-T213 PolarHBondContact O-N 3.49Å |
| 212 | P | 48.3 | Very low | 44.7 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | | | trans | -69.1 | 104.3 | 168.9 | 27.2 | -28.5 | 0 | 0 | 0 | 107.2 | K210 I214 | K210-P212 VanDerWaalsContact O-CD 3.24Å; K210-P212 WeakPolarHBondContact O-CD 3.33Å; P212-I214 PolarHBondContact O-N 3.39Å |
| 213 | T | 46.2 | Very low | 44.9 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | | | trans | -55.3 | 110.2 | 163.5 | -56.1 | 0 | 0 | 0 | 0 | 107.2 | C211 E215 | C211-T213 PolarHBondContact O-N 3.49Å; T213-E215 VanDerWaalsContact C-N 3.28Å; T213-E215 PolarHBondContact O-N 3.44Å |
| 214 | I | 51.9 | Low | 45 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | | | trans | -70.4 | 94.8 | 166.3 | -69.3 | 168.1 | 0 | 0 | 0 | 104.8 | P212 E216 | P212-I214 PolarHBondContact O-N 3.39Å; I214-E216 PolarHBondContact O-N 3.29Å; I214-E216 VanDerWaalsContact O-N 3.13Å |
| 215 | E | 54.2 | Low | 45.1 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -63.2 | 109.2 | 163 | -91 | -177 | 150.3 | 0 | 0 | 107.3 | T213 Q217 | T213-E215 VanDerWaalsContact C-N 3.28Å; T213-E215 PolarHBondContact O-N 3.44Å; E215-Q217 HydrophobicContact CB-CG 4.39Å; E215-Q217 PolarHBondContact O-N 3.42Å |
| 216 | E | 46.9 | Very low | 45.3 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | | | trans | -69.3 | 72.9 | 168.3 | -156.6 | 179.3 | -163.3 | 0 | 0 | 107.9 | I214 S218 | I214-E216 PolarHBondContact O-N 3.29Å; I214-E216 VanDerWaalsContact O-N 3.13Å; E216-S218 VanDerWaalsContact C-N 3.25Å; E216-S218 PolarHBondContact O-N 2.83Å |
| 217 | Q | 44.1 | Very low | 45.4 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | | | trans | -79.4 | 86.5 | 166.3 | -68.5 | -147.1 | -12.4 | 0 | 0 | 108.4 | E215 E219 | E215-Q217 HydrophobicContact CB-CG 4.39Å; E215-Q217 PolarHBondContact O-N 3.42Å; Q217-E219 VanDerWaalsContact C-N 3.29Å; Q217-E219 PolarHBondContact O-N 2.79Å |
| 218 | S | 43.1 | Very low | 45.8 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | -67 | 81.4 | 164.5 | 57.6 | 0 | 0 | 0 | 0 | 109.9 | E216 | E216-S218 VanDerWaalsContact C-N 3.25Å; E216-S218 PolarHBondContact O-N 2.83Å |
| 219 | E | 43.6 | Very low | 46.1 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | trans | -133.4 | 106.6 | 167 | -88.7 | -173.4 | 168.5 | 0 | 0 | 112 | Q217 | Q217-E219 VanDerWaalsContact C-N 3.29Å; Q217-E219 PolarHBondContact O-N 2.79Å |
| 220 | N | 43.2 | Very low | 46.3 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | 54 | 108.9 | 156.3 | -78.6 | -24.5 | 0 | 0 | 0 | 119.8 | F222 | N220-F222 PolarHBondContact O-N 3.44Š|
| 221 | P | 51.9 | Low | 46.8 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -79.8 | 69.1 | 168.5 | 35.9 | -32.9 | 0 | 0 | 0 | 109.9 | | |
| 222 | F | 47.2 | Very low | 47.8 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | trans | -155.1 | 53.8 | 166.5 | -119 | -78 | 0 | 0 | 0 | 111.4 | N220 | N220-F222 PolarHBondContact O-N 3.44Š|
| 223 | V | 44 | Very low | 48.4 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | | | trans | -123.1 | 95 | 158 | -174.1 | 0 | 0 | 0 | 0 | 106.4 | T225 | V223-T225 HydrophobicContact CG1-CG2 4.2Å; V223-T225 PolarHBondContact O-N 2.83Å; V223-T225 PolarHBondContact O-OG1 2.8Å |
| 224 | E | 46 | Very low | 49.3 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | trans | -57.9 | 76.1 | 161 | -73.4 | -178.6 | 143 | 0 | 0 | 108.6 | A226 | E224-A226 VanDerWaalsContact C-N 3.31Å; E224-A226 PolarHBondContact O-N 2.94Å |
| 225 | T | 43.4 | Very low | 50.2 | Low | 107 Ų | 107 | 150.6 Ų | 150.6 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | | | trans | -73.9 | 100.5 | 161.1 | 20.9 | 0 | 0 | 0 | 0 | 105.1 | V223 T227 | V223-T225 HydrophobicContact CG1-CG2 4.2Å; V223-T225 PolarHBondContact O-N 2.83Å; V223-T225 PolarHBondContact O-OG1 2.8Å; T225-T227 PolarHBondContact O-N 3.12Å |
| 226 | A | 45.1 | Very low | 51.2 | Low | 100 Ų | 100 | 151.9 Ų | 151.9 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -49.5 | 85.9 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | E224 A228 | E224-A226 VanDerWaalsContact C-N 3.31Å; E224-A226 PolarHBondContact O-N 2.94Å; A226-A228 VanDerWaalsContact C-N 3.28Å; A226-A228 PolarHBondContact O-N 3.13Å |
| 227 | T | 43.9 | Very low | 52.6 | Low | 116 Ų | 116 | 154.1 Ų | 154.1 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | | | trans | -69.7 | 98.4 | 168.9 | 41.2 | 0 | 0 | 0 | 0 | 104.7 | T225 K229 | T225-T227 PolarHBondContact O-N 3.12Å; T227-K229 PolarHBondContact O-N 3.1Å |
| 228 | A | 50.7 | Low | 53.9 | Low | 96 Ų | 96 | 154 Ų | 154 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | -50.8 | 90.4 | 172 | 0 | 0 | 0 | 0 | 0 | 108.3 | A226 | A226-A228 VanDerWaalsContact C-N 3.28Å; A226-A228 PolarHBondContact O-N 3.13Å |
| 229 | K | 48.1 | Very low | 55.5 | Low | 179 Ų | 179 | 152.2 Ų | 152.2 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | | | trans | -60.6 | 124.1 | 174 | -75.3 | -176.6 | 178.8 | 171.5 | 0 | 105 | T227 E231 | T227-K229 PolarHBondContact O-N 3.1Å; K229-E231 PolarHBondContact O-N 3.09Å |
| 230 | P | 49.1 | Very low | 56.7 | Low | 119 Ų | 119 | 152.9 Ų | 152.9 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | -59.5 | 109.6 | -179.2 | 23.3 | -32 | 0 | 0 | 0 | 106.9 | R232 | P230-R232 VanDerWaalsContact C-N 3.32Å; P230-R232 PolarHBondContact O-N 3.12Å |
| 231 | E | 54.6 | Low | 58 | Low | 179 Ų | 179 | 152.9 Ų | 152.9 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | trans | -52.1 | 104.1 | 174.4 | -72.7 | -173.6 | 158.9 | 0 | 0 | 106.6 | K229 K233 | K229-E231 PolarHBondContact O-N 3.09Å; E231-K233 PolarHBondContact O-N 3.07Å |
| 232 | R | 58.5 | Low | 58.7 | Low | 240 Ų | 240 | 151.1 Ų | 151.1 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | | | trans | -63.2 | 98 | 168.8 | -77.2 | -172.9 | 164.1 | 123.8 | -0.6 | 104.1 | P230 S234 | P230-R232 VanDerWaalsContact C-N 3.32Å; P230-R232 PolarHBondContact O-N 3.12Å; R232-S234 PolarHBondContact O-N 2.85Å |
| 233 | K | 61.5 | Low | 59.4 | Low | 197 Ų | 197 | 147.5 Ų | 147.5 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | | | trans | -49.7 | 91.3 | 171.6 | -69.9 | 175.8 | 176.1 | 178.1 | 0 | 107.2 | E231 R235 | E231-K233 PolarHBondContact O-N 3.07Å; K233-R235 PolarHBondContact O-N 3.02Å; K233-R235 VanDerWaalsContact O-N 3.1Å |
| 234 | S | 64.4 | Low | 60.1 | Low | 86 Ų | 86 | 145.2 Ų | 145.2 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | | | trans | -61.8 | 117.2 | 172.6 | 176.8 | 0 | 0 | 0 | 0 | 104.9 | R232 F236 | R232-S234 PolarHBondContact O-N 2.85Å; S234-F236 PolarHBondContact O-N 2.88Å; S234-F236 VanDerWaalsContact O-N 3.13Å; S234-F236 PolarHBondContact OG-N 2.91Å; S234-F236 PolarHBondContact OG-O 2.96Å |
| 235 | R | 71.4 | Confident | 60.7 | Low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -67 | -6.3 | 176.8 | -81 | -179.3 | 156.7 | -178.5 | -7.2 | 112.6 | K233 | K233-R235 PolarHBondContact O-N 3.02Å; K233-R235 VanDerWaalsContact O-N 3.1Å |
| 236 | F | 75 | Confident | 61.3 | Low | 177 Ų | 177 | 144.3 Ų | 144.3 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | | | trans | -104.8 | 108.1 | -178.9 | -56.7 | -73.8 | 0 | 0 | 0 | 108.2 | S234 | S234-F236 PolarHBondContact O-N 2.88Å; S234-F236 VanDerWaalsContact O-N 3.13Å; S234-F236 PolarHBondContact OG-N 2.91Å; S234-F236 PolarHBondContact OG-O 2.96Å |
| 237 | R | 75.5 | Confident | 62 | Low | 227 Ų | 227 | 146.4 Ų | 146.4 | 86% | 0.857 | 72% | 0.724 | S | S | * | * | | | trans | -83.2 | 128.7 | 162 | -67.3 | -178.2 | 177.5 | 179.7 | -2.2 | 106.9 | V239 | R237-V239 HydrophobicContact CB-CG2 4.47Å; R237-V239 PolarHBondContact O-N 3.44Å |
| 238 | V | 72 | Confident | 62.3 | Low | 146 Ų | 146 | 143.7 Ų | 143.7 | 89% | 0.885 | 72% | 0.719 | S | S | * | * | | | trans | -76.8 | 103.4 | 167.9 | 178.8 | 0 | 0 | 0 | 0 | 105.9 | | |
| 239 | V | 76 | Confident | 62.3 | Low | 70 Ų | 70 | 143.7 Ų | 143.7 | 42% | 0.424 | 71% | 0.705 | S | S | . | * | | | trans | -86.5 | 128.4 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | R237 E243 L244 | R237-V239 HydrophobicContact CB-CG2 4.47Å; R237-V239 PolarHBondContact O-N 3.44Å; V239-E243 HydrophobicContact CG1-CB 4.13Å; V239-L244 HydrophobicContact CG1-CD2 4.25Å; V239-L244 HydrophobicContact CG1-CG 4.19Å |
| 240 | R | 69.6 | Low | 62.3 | Low | 181 Ų | 181 | 139.7 Ų | 139.7 | 68% | 0.683 | 70% | 0.699 | S | S | * | * | | | trans | -71.1 | 135.9 | 173.5 | -72.6 | -178 | 178.4 | 143.8 | -2.5 | 108.2 | S242 E243 | R240-S242 PolarHBondContact O-N 3.16Å; R240-E243 PolarHBondContact O-N 2.99Å |
| 241 | I | 69.2 | Low | 62.7 | Low | 144 Ų | 144 | 141.6 Ų | 141.6 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -56.2 | -28.3 | -175.1 | -60.1 | 170.4 | 0 | 0 | 0 | 112.1 | E243 L244 | I241-E243 VanDerWaalsContact C-N 3.25Å; I241-E243 PolarHBondContact O-N 2.69Å; I241-L244 PolarHBondContact O-N 2.91Å |
| 242 | S | 67.4 | Low | 62.4 | Low | 88 Ų | 88 | 140.1 Ų | 140.1 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -61.9 | -26.8 | 175.3 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | R240 | R240-S242 PolarHBondContact O-N 3.16Š|
| 243 | E | 61.1 | Low | 61.9 | Low | 110 Ų | 110 | 138.1 Ų | 138.1 | 51% | 0.514 | 70% | 0.695 | S | S | . | * | G | 310 helix | trans | -83.1 | -17 | 178.9 | -67.5 | 173.5 | -177.2 | 0 | 0 | 112.7 | V239 R240 I241 V245 D246 | V239-E243 HydrophobicContact CG1-CB 4.13Å; R240-E243 PolarHBondContact O-N 2.99Å; I241-E243 VanDerWaalsContact C-N 3.25Å; I241-E243 PolarHBondContact O-N 2.69Å; E243-V245 VanDerWaalsContact C-N 3.25Å; E243-V245 PolarHBondContact O-N 3.12Å; E243-D246 PolarHBondContact O-N 2.68Å |
| 244 | L | 58.6 | Low | 61.3 | Low | 67 Ų | 67 | 133.8 Ų | 133.8 | 35% | 0.351 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.8 | -15.1 | -179.9 | -68.9 | 166.5 | 0 | 0 | 0 | 113.2 | V239 I241 I249 | V239-L244 HydrophobicContact CG1-CD2 4.25Å; V239-L244 HydrophobicContact CG1-CG 4.19Å; I241-L244 PolarHBondContact O-N 2.91Å; L244-I249 HydrophobicContact CD2-CD1 3.69Å |
| 245 | V | 59 | Low | 60.6 | Low | 119 Ų | 119 | 136.7 Ų | 136.7 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -34.6 | 176 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | E243 | E243-V245 VanDerWaalsContact C-N 3.25Å; E243-V245 PolarHBondContact O-N 3.12Å |
| 246 | D | 56.7 | Low | 59.5 | Low | 152 Ų | 152 | 133.5 Ų | 133.5 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -23.6 | 179 | -75.3 | -18 | 0 | 0 | 0 | 113 | E243 G248 | E243-D246 PolarHBondContact O-N 2.68Å; D246-G248 PolarHBondContact O-N 3.05Å |
| 247 | E | 58.8 | Low | 58.1 | Low | 143 Ų | 143 | 131.7 Ų | 131.7 | 67% | 0.668 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 7.8 | 178 | -72.6 | -162.3 | 159.8 | 0 | 0 | 114 | I249 | E247-I249 HydrophobicContact CB-CG1 4.42Å; E247-I249 PolarHBondContact O-N 2.72Å |
| 248 | G | 51.9 | Low | 56.6 | Low | 60 Ų | 60 | 127.6 Ų | 127.6 | 62% | 0.619 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59 | 27.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D246 C250 | D246-G248 PolarHBondContact O-N 3.05Å; G248-C250 PolarHBondContact O-N 3.47Å |
| 249 | I | 50 | Low | 55.3 | Low | 95 Ų | 95 | 125.5 Ų | 125.5 | 49% | 0.487 | 68% | 0.678 | S | S | . | * | | | trans | -71.3 | 78.4 | 171.5 | -56.3 | 169.3 | 0 | 0 | 0 | 105.8 | L244 E247 M251 | L244-I249 HydrophobicContact CD2-CD1 3.69Å; E247-I249 HydrophobicContact CB-CG1 4.42Å; E247-I249 PolarHBondContact O-N 2.72Å; I249-M251 HydrophobicContact CG2-CE 4.34Å; I249-M251 PolarHBondContact O-N 3.26Å |
| 250 | C | 48.5 | Very low | 54 | Low | 96 Ų | 96 | 131.8 Ų | 131.8 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | | | trans | -59.1 | 109.3 | 169.4 | -151.1 | 0 | 0 | 0 | 0 | 105 | G248 D252 | G248-C250 PolarHBondContact O-N 3.47Å; C250-D252 PolarHBondContact O-N 3.44Å |
| 251 | M | 56.7 | Low | 53 | Low | 159 Ų | 159 | 134.4 Ų | 134.4 | 78% | 0.783 | 71% | 0.709 | S | S | * | * | | | trans | -62.6 | 94.8 | 164.6 | -69.3 | -71.1 | 166.2 | 0 | 0 | 105 | I249 K253 | I249-M251 HydrophobicContact CG2-CE 4.34Å; I249-M251 PolarHBondContact O-N 3.26Å; M251-K253 PolarHBondContact O-N 3.41Å |
| 252 | D | 49.4 | Very low | 52.3 | Low | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | | | trans | -49.2 | 112.3 | -179.6 | -82.1 | -33.1 | 0 | 0 | 0 | 107.9 | C250 S254 | C250-D252 PolarHBondContact O-N 3.44Å; D252-S254 PolarHBondContact O-N 3.43Å |
| 253 | K | 46.4 | Very low | 51.6 | Low | 197 Ų | 197 | 135.5 Ų | 135.5 | 86% | 0.857 | 72% | 0.717 | S | S | * | * | | | trans | -54.2 | 129.5 | 172.3 | -68.9 | -179.6 | 176.5 | 179.6 | 0 | 106.7 | M251 L255 | M251-K253 PolarHBondContact O-N 3.41Å; K253-L255 PolarHBondContact O-N 3.37Å |
| 254 | S | 50.6 | Low | 51.2 | Low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | | | trans | -47.4 | 99.8 | 173.9 | 50.7 | 0 | 0 | 0 | 0 | 109.7 | D252 E256 | D252-S254 PolarHBondContact O-N 3.43Å; S254-E256 VanDerWaalsContact C-N 3.3Å; S254-E256 PolarHBondContact O-N 2.93Å |
| 255 | L | 49.6 | Very low | 50.9 | Low | 148 Ų | 148 | 139.3 Ų | 139.3 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | trans | -68 | 97.9 | 167.4 | -169.5 | 84.4 | 0 | 0 | 0 | 105.6 | K253 D257 | K253-L255 PolarHBondContact O-N 3.37Å; L255-D257 HydrophobicContact CD2-CB 4.34Å; L255-D257 PolarHBondContact O-N 3.39Å |
| 256 | E | 48.1 | Very low | 50.6 | Low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | | | trans | -64 | 83.7 | 167.8 | -65.6 | -173 | 151.3 | 0 | 0 | 108.1 | S254 | S254-E256 VanDerWaalsContact C-N 3.3Å; S254-E256 PolarHBondContact O-N 2.93Å |
| 257 | D | 45.4 | Very low | 50.7 | Low | 138 Ų | 138 | 138.6 Ų | 138.6 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | trans | -102.8 | 119.2 | 170.2 | -125.3 | -18.2 | 0 | 0 | 0 | 110.7 | L255 | L255-D257 HydrophobicContact CD2-CB 4.34Å; L255-D257 PolarHBondContact O-N 3.39Å |
| 258 | N | 43.3 | Very low | 50.3 | Low | 142 Ų | 142 | 135.1 Ų | 135.1 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | | | trans | -72.4 | 149.1 | -164.8 | -78 | -65.5 | 0 | 0 | 0 | 113.1 | | |
| 259 | S | 45.1 | Very low | 50.7 | Low | 101 Ų | 101 | 137.8 Ų | 137.8 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | trans | 64 | 86.3 | 138 | -160.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 260 | K | 49.2 | Very low | 51.1 | Low | 202 Ų | 202 | 137.4 Ų | 137.4 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | | | trans | -130.3 | 90.8 | 136.3 | -72.5 | -173.2 | -178 | 173.3 | 0 | 109.4 | L262 | K260-L262 PolarHBondContact O-N 3.49Š|
| 261 | R | 48.5 | Very low | 51.4 | Low | 237 Ų | 237 | 138.4 Ų | 138.4 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | | | trans | -51.9 | 98 | 160.2 | -81.5 | 175.2 | 163.6 | 174.8 | -5.4 | 108.5 | | |
| 262 | L | 55.2 | Low | 51.6 | Low | 151 Ų | 151 | 137.9 Ų | 137.9 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | -92.3 | 98.2 | 156.1 | -68.5 | 176.3 | 0 | 0 | 0 | 105.9 | K260 S264 | K260-L262 PolarHBondContact O-N 3.49Å; L262-S264 PolarHBondContact O-N 3.47Å |
| 263 | S | 52.2 | Low | 51.7 | Low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -53.8 | 113 | 156.9 | 46.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 264 | S | 52.8 | Low | 52.1 | Low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -131.1 | 107.4 | 165.1 | -62.4 | 0 | 0 | 0 | 0 | 105.6 | L262 | L262-S264 PolarHBondContact O-N 3.47Š|
| 265 | D | 51.7 | Low | 52 | Low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | -61.2 | 152.6 | -172 | -60.1 | -66.1 | 0 | 0 | 0 | 112.7 | | |
| 266 | D | 53.4 | Low | 51.9 | Low | 149 Ų | 149 | 132.4 Ų | 132.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | 70.2 | 66.6 | 144.2 | -153.9 | 18.6 | 0 | 0 | 0 | 117.2 | G268 | D266-G268 VanDerWaalsContact C-N 3.29Å; D266-G268 PolarHBondContact O-N 3.44Å; D266-G268 VanDerWaalsContact O-N 3.1Å |
| 267 | S | 57.9 | Low | 52 | Low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -74.2 | 90.4 | 152 | 62.9 | 0 | 0 | 0 | 0 | 108.3 | V269 | S267-V269 PolarHBondContact O-N 3.09Š|
| 268 | G | 50.8 | Low | 52.3 | Low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -62.5 | 64.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D266 A270 | D266-G268 VanDerWaalsContact C-N 3.29Å; D266-G268 PolarHBondContact O-N 3.44Å; D266-G268 VanDerWaalsContact O-N 3.1Å; G268-A270 PolarHBondContact O-N 3.04Å |
| 269 | V | 60.6 | Low | 52.8 | Low | 116 Ų | 116 | 138.7 Ų | 138.7 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | | | trans | -90.3 | 97.4 | 168.2 | -172.4 | 0 | 0 | 0 | 0 | 106.4 | S267 S271 | S267-V269 PolarHBondContact O-N 3.09Å; V269-S271 PolarHBondContact O-N 2.99Å |
| 270 | A | 57.1 | Low | 53.1 | Low | 87 Ų | 87 | 140.9 Ų | 140.9 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | trans | -50.1 | 112 | 171 | 0 | 0 | 0 | 0 | 0 | 109.1 | G268 I272 | G268-A270 PolarHBondContact O-N 3.04Å; A270-I272 PolarHBondContact O-N 2.91Å; A270-I272 VanDerWaalsContact O-N 3.09Å |
| 271 | S | 56.1 | Low | 53.2 | Low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -64.7 | 109.1 | 170.8 | -53.6 | 0 | 0 | 0 | 0 | 107.5 | V269 P273 | V269-S271 PolarHBondContact O-N 2.99Å; S271-P273 WeakPolarHBondContact O-CD 3.46Å |
| 272 | I | 60.2 | Low | 53.7 | Low | 147 Ų | 147 | 138.5 Ų | 138.5 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | trans | -67.5 | 121.3 | 171.1 | -60.3 | 167.2 | 0 | 0 | 0 | 106 | A270 S274 | A270-I272 PolarHBondContact O-N 2.91Å; A270-I272 VanDerWaalsContact O-N 3.09Å; I272-S274 PolarHBondContact O-N 3.06Å |
| 273 | P | 52.5 | Low | 53.8 | Low | 105 Ų | 105 | 137.4 Ų | 137.4 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | | | trans | -65.4 | 120 | 177.2 | 24 | -30 | 0 | 0 | 0 | 109.5 | S271 D275 | S271-P273 WeakPolarHBondContact O-CD 3.46Å; P273-D275 PolarHBondContact O-N 3.13Å |
| 274 | S | 54.2 | Low | 53.8 | Low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | -77.6 | 57 | 177.4 | -55 | 0 | 0 | 0 | 0 | 111.5 | I272 | I272-S274 PolarHBondContact O-N 3.06Š|
| 275 | D | 47.9 | Very low | 53.8 | Low | 153 Ų | 153 | 137.3 Ų | 137.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -127.5 | 70.9 | 176.3 | -79.1 | -30.3 | 0 | 0 | 0 | 110 | P273 | P273-D275 PolarHBondContact O-N 3.13Š|
| 276 | S | 48.2 | Very low | 53.2 | Low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -171.7 | 53 | 158.3 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 277 | L | 50.8 | Low | 53.1 | Low | 175 Ų | 175 | 138.1 Ų | 138.1 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -108.7 | 66.3 | 150.7 | -81.9 | 165.6 | 0 | 0 | 0 | 106.4 | E279 | L277-E279 PolarHBondContact O-N 3.03Å; L277-E279 VanDerWaalsContact O-N 3.14Å |
| 278 | R | 50 | Low | 52.9 | Low | 227 Ų | 227 | 139.7 Ų | 139.7 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | trans | -63 | 114 | 164.2 | -165.5 | 177.3 | -176.2 | -178.8 | -0 | 105 | E280 | R278-E280 VanDerWaalsContact C-N 3.25Å; R278-E280 PolarHBondContact O-N 2.89Å |
| 279 | E | 54.8 | Low | 53 | Low | 180 Ų | 180 | 143.4 Ų | 143.4 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | | | trans | -50.6 | 93.2 | 169.9 | -64.3 | 164.2 | 175.5 | 0 | 0 | 107.5 | L277 E281 | L277-E279 PolarHBondContact O-N 3.03Å; L277-E279 VanDerWaalsContact O-N 3.14Å; E279-E281 PolarHBondContact O-N 3.01Å |
| 280 | E | 51.4 | Low | 52.6 | Low | 148 Ų | 148 | 144.9 Ų | 144.9 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | | | trans | -70.7 | 95.6 | 163.1 | -78.5 | -179.5 | 161.7 | 0 | 0 | 104.8 | R278 W282 | R278-E280 VanDerWaalsContact C-N 3.25Å; R278-E280 PolarHBondContact O-N 2.89Å; E280-W282 VanDerWaalsContact O-CD1 3.23Å; E280-W282 PolarHBondContact O-N 3.06Å |
| 281 | E | 51.3 | Low | 52.3 | Low | 164 Ų | 164 | 148.3 Ų | 148.3 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | | | trans | -49.5 | 93.2 | 155.9 | -73.1 | 176.4 | 132.7 | 0 | 0 | 107.5 | E279 I283 | E279-E281 PolarHBondContact O-N 3.01Å; E281-I283 HydrophobicContact CB-CG1 4.25Å; E281-I283 PolarHBondContact O-N 2.88Å |
| 282 | W | 58.6 | Low | 52.1 | Low | 224 Ų | 224 | 150.2 Ų | 150.2 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -74.5 | 83.5 | 160.7 | -73.7 | 74.5 | 0 | 0 | 0 | 106 | E280 S284 | E280-W282 VanDerWaalsContact O-CD1 3.23Å; E280-W282 PolarHBondContact O-N 3.06Å; W282-S284 PolarHBondContact O-N 2.83Å; W282-S284 VanDerWaalsContact O-N 3.07Å |
| 283 | I | 56.4 | Low | 51.5 | Low | 129 Ų | 129 | 150.4 Ų | 150.4 | 66% | 0.662 | 82% | 0.82 | S | S | * | * | | | trans | -48.5 | 113.2 | 174.4 | -59.4 | 157.6 | 0 | 0 | 0 | 107.3 | E281 S285 | E281-I283 HydrophobicContact CB-CG1 4.25Å; E281-I283 PolarHBondContact O-N 2.88Å; I283-S285 VanDerWaalsContact C-N 3.3Å; I283-S285 PolarHBondContact O-N 3.18Å; I283-S285 PolarHBondContact O-OG 3.27Å |
| 284 | S | 52.5 | Low | 51.5 | Low | 104 Ų | 104 | 153.6 Ų | 153.6 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | | | trans | -57.2 | 95.3 | 168 | -169.9 | 0 | 0 | 0 | 0 | 108 | W282 C286 | W282-S284 PolarHBondContact O-N 2.83Å; W282-S284 VanDerWaalsContact O-N 3.07Å; S284-C286 PolarHBondContact O-N 3.35Å; S284-C286 VanDerWaalsContact O-N 3.16Å |
| 285 | S | 53.4 | Low | 51.2 | Low | 107 Ų | 107 | 156.2 Ų | 156.2 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | | | trans | -78.9 | 98.3 | 174.5 | -63.1 | 0 | 0 | 0 | 0 | 107.5 | I283 S287 | I283-S285 VanDerWaalsContact C-N 3.3Å; I283-S285 PolarHBondContact O-N 3.18Å; I283-S285 PolarHBondContact O-OG 3.27Å; S285-S287 PolarHBondContact O-N 3.18Å |
| 286 | C | 38.9 | Very low | 51.5 | Low | 122 Ų | 122 | 156.5 Ų | 156.5 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | | | trans | -64.4 | 120.6 | 163.6 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | S284 | S284-C286 PolarHBondContact O-N 3.35Å; S284-C286 VanDerWaalsContact O-N 3.16Å |
| 287 | S | 52 | Low | 51.8 | Low | 191 Ų | 191 | 161 Ų | 161 | 100% | 1.336 | 84% | 0.838 | S | S | * | * | | | trans | -161.6 | 0 | 143.2 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | S285 | S285-S287 PolarHBondContact O-N 3.18Š|