| 1 | M | 38.7 | Very low | 44.7 | Very low | 242 Ų | 242 | 133.1 Ų | 133.1 | 100% | 1.192 | 74% | 0.74 | S | S | * | * | | | | 0 | 120.3 | 0 | -76.3 | 132.7 | 82.2 | 0 | 0 | 107.3 | | |
| 2 | S | 41.1 | Very low | 44.1 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | trans | -72.3 | 138.8 | -178.8 | -159.3 | 0 | 0 | 0 | 0 | 109.6 | D4 | S2-D4 PolarHBondContact O-N 3.46Š|
| 3 | P | 52.2 | Low | 44.5 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -74.2 | 2.7 | -179.8 | 29.4 | -32.5 | 0 | 0 | 0 | 114.2 | D5 | P3-D5 VanDerWaalsContact C-N 3.32Å; P3-D5 PolarHBondContact O-N 3.14Å |
| 4 | D | 51.4 | Low | 44.6 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | | | trans | -89.8 | 32.8 | -179.5 | -69.7 | -60.3 | 0 | 0 | 0 | 114.2 | S2 P6 | S2-D4 PolarHBondContact O-N 3.46Å; D4-P6 WeakPolarHBondContact O-CD 3.33Å |
| 5 | D | 44.7 | Very low | 44.7 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | | | trans | -96.5 | 101.7 | 172.5 | -142.6 | -16.2 | 0 | 0 | 0 | 110 | P3 I7 | P3-D5 VanDerWaalsContact C-N 3.32Å; P3-D5 PolarHBondContact O-N 3.14Å; D5-I7 PolarHBondContact O-N 3.25Å |
| 6 | P | 44.5 | Very low | 45 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 62% | 0.623 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -75.8 | 19.7 | -167.4 | 31.6 | -36.8 | 0 | 0 | 0 | 114.5 | D4 G8 S9 | D4-P6 WeakPolarHBondContact O-CD 3.33Å; P6-G8 PolarHBondContact O-N 2.88Å; P6-S9 PolarHBondContact O-N 3.14Å |
| 7 | I | 42.1 | Very low | 44.9 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -64.9 | -20 | 175.8 | -57.7 | 176.4 | 0 | 0 | 0 | 111 | D5 S9 | D5-I7 PolarHBondContact O-N 3.25Å; I7-S9 PolarHBondContact O-N 3.44Å |
| 8 | G | 37.3 | Very low | 45 | Very low | 52 Ų | 52 | 128.8 Ų | 128.8 | 54% | 0.536 | 74% | 0.74 | S | S | . | * | G | 310 helix | trans | -72.3 | -21.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | P6 R10 L11 | P6-G8 PolarHBondContact O-N 2.88Å; G8-R10 PolarHBondContact O-N 2.69Å; G8-L11 VanDerWaalsContact O-O 3.14Å |
| 9 | S | 44.4 | Very low | 44.7 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -83 | -10.8 | -169.8 | -54.6 | 0 | 0 | 0 | 0 | 114.7 | P6 I7 | P6-S9 PolarHBondContact O-N 3.14Å; I7-S9 PolarHBondContact O-N 3.44Å |
| 10 | R | 46.3 | Very low | 44.7 | Very low | 241 Ų | 241 | 124.6 Ų | 124.6 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -88.7 | -20.2 | -179.9 | -73.7 | -171.8 | 177.4 | -124.3 | 1.5 | 113.8 | G8 | G8-R10 PolarHBondContact O-N 2.69Š|
| 11 | L | 48.8 | Very low | 44.8 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 61% | 0.607 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -93.6 | 121.3 | 168.2 | -55.4 | 177.9 | 0 | 0 | 0 | 104.2 | G8 L13 | G8-L11 VanDerWaalsContact O-O 3.14Å; L11-L13 HydrophobicContact CB-CD1 4.2Å; L11-L13 HydrophobicContact CB-CG 3.96Å; L11-L13 PolarHBondContact O-N 3.19Å |
| 12 | G | 37.7 | Very low | 45.2 | Very low | 82 Ų | 82 | 122 Ų | 122 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | | | trans | -62.9 | 37.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | S14 | G12-S14 PolarHBondContact O-N 3.34Š|
| 13 | L | 49.7 | Very low | 45.5 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 63% | 0.634 | 71% | 0.711 | S | S | * | * | | | trans | -75.7 | 74.5 | 165.9 | -52.7 | -177.5 | 0 | 0 | 0 | 106.3 | L11 S15 | L11-L13 HydrophobicContact CB-CD1 4.2Å; L11-L13 HydrophobicContact CB-CG 3.96Å; L11-L13 PolarHBondContact O-N 3.19Å; L13-S15 PolarHBondContact O-N 2.83Å |
| 14 | S | 45.5 | Very low | 45.2 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | | | trans | -48 | 115.6 | 159.1 | 51.8 | 0 | 0 | 0 | 0 | 107.3 | G12 I16 | G12-S14 PolarHBondContact O-N 3.34Å; S14-I16 PolarHBondContact O-N 2.78Å; S14-I16 VanDerWaalsContact O-N 3.15Å |
| 15 | S | 46 | Very low | 44.8 | Very low | 92 Ų | 92 | 121 Ų | 121 | 64% | 0.643 | 70% | 0.702 | S | S | * | * | | | trans | -0.8 | 99 | 170.2 | -159.6 | 0 | 0 | 0 | 0 | 113.4 | L13 F17 | L13-S15 PolarHBondContact O-N 2.83Å; S15-F17 PolarHBondContact O-N 3.14Å |
| 16 | I | 49.7 | Very low | 45 | Very low | 137 Ų | 137 | 119.7 Ų | 119.7 | 70% | 0.703 | 71% | 0.708 | S | S | * | * | | | trans | -68.4 | 97.2 | 165.9 | -57.8 | 170.2 | 0 | 0 | 0 | 104.3 | S14 V18 | S14-I16 PolarHBondContact O-N 2.78Å; S14-I16 VanDerWaalsContact O-N 3.15Å; I16-V18 PolarHBondContact O-N 3.14Å |
| 17 | F | 44.1 | Very low | 44.8 | Very low | 182 Ų | 182 | 121.4 Ų | 121.4 | 80% | 0.798 | 71% | 0.711 | S | S | * | * | | | trans | -52.5 | 107.7 | 170 | -86.1 | -95.3 | 0 | 0 | 0 | 107.2 | S15 A19 | S15-F17 PolarHBondContact O-N 3.14Å; F17-A19 PolarHBondContact O-N 2.89Å |
| 18 | V | 45.9 | Very low | 45 | Very low | 134 Ų | 134 | 122.3 Ų | 122.3 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | | | trans | -69.3 | 87 | 165.5 | 179.4 | 0 | 0 | 0 | 0 | 105 | I16 | I16-V18 PolarHBondContact O-N 3.14Š|
| 19 | A | 40.4 | Very low | 45.3 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 60% | 0.595 | 72% | 0.716 | S | S | * | * | | | trans | -60.7 | 130.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | F17 L21 | F17-A19 PolarHBondContact O-N 2.89Å; A19-L21 PolarHBondContact O-N 2.8Å |
| 20 | P | 44.4 | Very low | 45 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 66% | 0.662 | 72% | 0.723 | S | S | * | * | | | trans | -54.5 | 132.7 | 174.7 | -23 | 32.4 | 0 | 0 | 0 | 110 | D22 A23 | P20-D22 PolarHBondContact O-N 2.78Å; P20-A23 PolarHBondContact O-N 2.94Å |
| 21 | L | 46.1 | Very low | 45 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -62.8 | -5.6 | -176.9 | -71.7 | 167.4 | 0 | 0 | 0 | 114.1 | A19 A23 V24 | A19-L21 PolarHBondContact O-N 2.8Å; L21-A23 PolarHBondContact O-N 2.82Å; L21-V24 PolarHBondContact O-N 2.74Å |
| 22 | D | 48.2 | Very low | 44.5 | Very low | 161 Ų | 161 | 123.2 Ų | 123.2 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -70.6 | -8.2 | 178.4 | -78.9 | -7.1 | 0 | 0 | 0 | 114.3 | P20 | P20-D22 PolarHBondContact O-N 2.78Š|
| 23 | A | 45.5 | Very low | 44.6 | Very low | 66 Ų | 66 | 124 Ų | 124 | 55% | 0.545 | 72% | 0.715 | S | S | . | * | G | 310 helix | trans | -93.2 | -6.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P20 L21 | P20-A23 PolarHBondContact O-N 2.94Å; L21-A23 PolarHBondContact O-N 2.82Å |
| 24 | V | 46.3 | Very low | 44 | Very low | 79 Ų | 79 | 126.9 Ų | 126.9 | 48% | 0.479 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -82.4 | -21.5 | -171.9 | -162.4 | 0 | 0 | 0 | 0 | 112.5 | L21 A26 F28 | L21-V24 PolarHBondContact O-N 2.74Å; V24-A26 VanDerWaalsContact C-N 3.28Å; V24-A26 PolarHBondContact O-N 2.92Å; V24-F28 HydrophobicContact CG1-CD2 4.44Å; V24-F28 HydrophobicContact CG1-CE2 3.87Å |
| 25 | E | 43.3 | Very low | 43.9 | Very low | 191 Ų | 191 | 128 Ų | 128 | 89% | 0.893 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -72 | -19.2 | 177 | -75.4 | -170.4 | 161.9 | 0 | 0 | 113.6 | L27 | E25-L27 PolarHBondContact O-N 2.88Š|
| 26 | A | 48.8 | Very low | 43.5 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -84.3 | -6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V24 | V24-A26 VanDerWaalsContact C-N 3.28Å; V24-A26 PolarHBondContact O-N 2.92Å |
| 27 | L | 41.3 | Very low | 43.2 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -110.4 | 1 | -171 | -96.6 | 145.6 | 0 | 0 | 0 | 115.3 | E25 P29 | E25-L27 PolarHBondContact O-N 2.88Å; L27-P29 WeakPolarHBondContact O-CD 3.03Å |
| 28 | F | 46.3 | Very low | 43.4 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 68% | 0.68 | 73% | 0.732 | S | S | * | * | | | trans | -125.8 | 79.1 | 179.5 | -60.7 | -76.8 | 0 | 0 | 0 | 110.9 | V24 E30 | V24-F28 HydrophobicContact CG1-CD2 4.44Å; V24-F28 HydrophobicContact CG1-CE2 3.87Å; F28-E30 PolarHBondContact O-N 2.91Å; F28-E30 VanDerWaalsContact O-N 3.13Å |
| 29 | P | 41.9 | Very low | 43.6 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | | | trans | -58.6 | 120.3 | 161.9 | 23.9 | -29.7 | 0 | 0 | 0 | 108.1 | L27 T31 | L27-P29 WeakPolarHBondContact O-CD 3.03Å; P29-T31 PolarHBondContact O-N 2.96Å |
| 30 | E | 39.6 | Very low | 43.9 | Very low | 189 Ų | 189 | 126.9 Ų | 126.9 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | | | trans | -53.7 | 85.1 | 173.1 | -69 | 178.3 | 121.4 | 0 | 0 | 110.3 | F28 T32 | F28-E30 PolarHBondContact O-N 2.91Å; F28-E30 VanDerWaalsContact O-N 3.13Å; E30-T32 VanDerWaalsContact C-N 3.34Å; E30-T32 PolarHBondContact O-N 3.03Å; E30-T32 VanDerWaalsContact O-N 3.16Å |
| 31 | T | 46.6 | Very low | 44.2 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | | | trans | -89 | 84.7 | 172.6 | 46.2 | 0 | 0 | 0 | 0 | 107.9 | P29 S33 | P29-T31 PolarHBondContact O-N 2.96Å; T31-S33 VanDerWaalsContact C-N 3.29Å; T31-S33 PolarHBondContact O-N 3.26Å |
| 32 | T | 36.4 | Very low | 44.3 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | trans | -60.7 | 91 | 165.2 | -46.4 | 0 | 0 | 0 | 0 | 107.9 | E30 | E30-T32 VanDerWaalsContact C-N 3.34Å; E30-T32 PolarHBondContact O-N 3.03Å; E30-T32 VanDerWaalsContact O-N 3.16Å |
| 33 | S | 41.1 | Very low | 44.4 | Very low | 99 Ų | 99 | 123.8 Ų | 123.8 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | trans | -125.7 | 96.1 | 175.1 | -74.2 | 0 | 0 | 0 | 0 | 109.5 | T31 T35 | T31-S33 VanDerWaalsContact C-N 3.29Å; T31-S33 PolarHBondContact O-N 3.26Å; S33-T35 PolarHBondContact O-N 2.86Å |
| 34 | Q | 36.6 | Very low | 44.5 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | | | trans | -59.7 | 113.1 | 167.4 | -59.1 | 178.8 | 5.9 | 0 | 0 | 108.9 | | |
| 35 | T | 44.4 | Very low | 44.6 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | | | trans | -136.1 | 102.6 | 154.8 | 50.9 | 0 | 0 | 0 | 0 | 109.1 | S33 | S33-T35 PolarHBondContact O-N 2.86Š|
| 36 | S | 36.2 | Very low | 45.1 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | | | trans | -74.2 | 122.1 | 161.5 | 171.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 37 | S | 43.5 | Very low | 45.1 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | | | trans | -151.5 | 91.3 | 163.2 | -73.6 | 0 | 0 | 0 | 0 | 107 | S39 | S37-S39 PolarHBondContact O-N 3.16Š|
| 38 | H | 48.3 | Very low | 45.6 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | | | trans | -66.7 | 98.5 | 169.7 | -63 | -81.2 | 0 | 0 | 0 | 108.4 | S40 | H38-S40 PolarHBondContact O-N 3.29Š|
| 39 | S | 49.8 | Very low | 45.7 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | trans | -85.5 | 98.2 | 161.9 | 49 | 0 | 0 | 0 | 0 | 108.2 | S37 C41 | S37-S39 PolarHBondContact O-N 3.16Å; S39-C41 PolarHBondContact O-N 3.27Å |
| 40 | S | 47 | Very low | 45.9 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | -68.9 | 100.4 | 167.1 | -63.1 | 0 | 0 | 0 | 0 | 108.5 | H38 S42 | H38-S40 PolarHBondContact O-N 3.29Å; S40-S42 PolarHBondContact O-N 3.44Å |
| 41 | C | 51.2 | Low | 46.4 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | -63.5 | 97.9 | 164.7 | -62.1 | 0 | 0 | 0 | 0 | 107.9 | S39 D43 | S39-C41 PolarHBondContact O-N 3.27Å; C41-D43 PolarHBondContact O-N 2.72Å; C41-D43 VanDerWaalsContact O-N 3.16Å |
| 42 | S | 48.1 | Very low | 46.2 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | trans | -69.5 | 105.6 | 162.8 | -79.9 | 0 | 0 | 0 | 0 | 107.5 | S40 N44 | S40-S42 PolarHBondContact O-N 3.44Å; S42-N44 WeakPolarHBondContact CB-OD1 3.42Å; S42-N44 PolarHBondContact O-N 2.86Å |
| 43 | D | 49.3 | Very low | 46.8 | Very low | 131 Ų | 131 | 132 Ų | 132 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | | | trans | -69.9 | 86.2 | 167.1 | -169.4 | 14.4 | 0 | 0 | 0 | 107.7 | C41 N45 | C41-D43 PolarHBondContact O-N 2.72Å; C41-D43 VanDerWaalsContact O-N 3.16Å; D43-N45 PolarHBondContact O-N 3.42Å; D43-N45 PolarHBondContact OD2-ND2 2.82Å |
| 44 | N | 49.5 | Very low | 46.8 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | trans | -72.7 | 73.1 | 174.7 | -72.7 | 5.3 | 0 | 0 | 0 | 109.4 | S42 D46 | S42-N44 WeakPolarHBondContact CB-OD1 3.42Å; S42-N44 PolarHBondContact O-N 2.86Å; N44-D46 PolarHBondContact O-N 3.26Å |
| 45 | N | 47.2 | Very low | 46.6 | Very low | 129 Ų | 129 | 132 Ų | 132 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | | | trans | -76.5 | 71.6 | 163 | -87.1 | -33.2 | 0 | 0 | 0 | 109.4 | D43 | D43-N45 PolarHBondContact O-N 3.42Å; D43-N45 PolarHBondContact OD2-ND2 2.82Å |
| 46 | D | 54.8 | Low | 46.3 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 60% | 0.599 | 75% | 0.745 | S | S | * | * | | | trans | -100.1 | 55.9 | 175 | -162.8 | 18.4 | 0 | 0 | 0 | 110.9 | N44 | N44-D46 PolarHBondContact O-N 3.26Š|
| 47 | W | 48.9 | Very low | 46.4 | Very low | 234 Ų | 234 | 134.1 Ų | 134.1 | 89% | 0.886 | 75% | 0.751 | S | S | * | * | | | trans | -114.5 | 69.4 | 169.2 | -70 | 95.2 | 0 | 0 | 0 | 109 | | |
| 48 | N | 50.1 | Low | 46 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | | | trans | -173.7 | 79.2 | 152.5 | -101.9 | 0.7 | 0 | 0 | 0 | 110.6 | | |
| 49 | K | 48.3 | Very low | 45.6 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | | | trans | -125.8 | 74.5 | 155 | -66.5 | -178.3 | -173.4 | -96.4 | 0 | 107.8 | D51 | K49-D51 PolarHBondContact O-N 3Š|
| 50 | V | 46.6 | Very low | 45 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | | | trans | -86 | 96.4 | 159.6 | -157 | 0 | 0 | 0 | 0 | 104.5 | D52 | V50-D52 PolarHBondContact O-N 3.25Š|
| 51 | D | 50.5 | Low | 44.5 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | trans | -70.1 | 77.6 | 178.3 | -85.1 | -48.6 | 0 | 0 | 0 | 110 | K49 S53 | K49-D51 PolarHBondContact O-N 3Å; D51-S53 VanDerWaalsContact C-N 3.34Å; D51-S53 PolarHBondContact O-N 2.75Å |
| 52 | D | 41.7 | Very low | 43.5 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | | | trans | -87.8 | 78.4 | 165.4 | -82.4 | -27.2 | 0 | 0 | 0 | 108.6 | V50 | V50-D52 PolarHBondContact O-N 3.25Š|
| 53 | S | 50.8 | Low | 42.9 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | -145 | 86.7 | 172.9 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | D51 | D51-S53 VanDerWaalsContact C-N 3.34Å; D51-S53 PolarHBondContact O-N 2.75Å |
| 54 | S | 39.9 | Very low | 42 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | 52.9 | 96.2 | 134 | -50.5 | 0 | 0 | 0 | 0 | 117.9 | T56 | S54-T56 PolarHBondContact O-N 2.97Å; S54-T56 VanDerWaalsContact O-N 3.14Å |
| 55 | N | 33.2 | Very low | 41.3 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | | | trans | -47.5 | 111.7 | 145.3 | -64.5 | -38.6 | 0 | 0 | 0 | 110 | | |
| 56 | T | 36.4 | Very low | 40.7 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | | | trans | -167.9 | 132.1 | 146.3 | 37.3 | 0 | 0 | 0 | 0 | 111.3 | S54 | S54-T56 PolarHBondContact O-N 2.97Å; S54-T56 VanDerWaalsContact O-N 3.14Å |
| 57 | L | 40.3 | Very low | 40.2 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | | | trans | 81.2 | 86.9 | 150.2 | -72.4 | 153.8 | 0 | 0 | 0 | 116.9 | V59 | L57-V59 PolarHBondContact O-N 3.36Š|
| 58 | E | 34.7 | Very low | 39.3 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -26.8 | 120.2 | 140.3 | -64.7 | -170.3 | 126.4 | 0 | 0 | 112.6 | | |
| 59 | V | 38.7 | Very low | 38.7 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -119.7 | 108.2 | 152.7 | -179.1 | 0 | 0 | 0 | 0 | 106.2 | L57 | L57-V59 PolarHBondContact O-N 3.36Š|
| 60 | S | 37.4 | Very low | 38 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | | | trans | -57.5 | 132.1 | -177.6 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | G62 | S60-G62 PolarHBondContact O-N 3.18Š|
| 61 | P | 36.2 | Very low | 37.5 | Very low | 141 Ų | 141 | 144 Ų | 144 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | trans | -73.3 | 110.5 | 173.5 | -12.4 | 27.6 | 0 | 0 | 0 | 109.9 | | |
| 62 | G | 31.1 | Very low | 36.8 | Very low | 66 Ų | 66 | 143.5 Ų | 143.5 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | | | trans | -165.6 | 87.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S60 | S60-G62 PolarHBondContact O-N 3.18Š|
| 63 | R | 35.4 | Very low | 36.5 | Very low | 233 Ų | 233 | 144.5 Ų | 144.5 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | | | trans | -177.8 | 95.7 | 138.3 | -102.6 | 168.4 | 140.4 | -175.7 | -6.3 | 112 | | |
| 64 | T | 30.1 | Very low | 36.3 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | -59.9 | 126.3 | 155.1 | -35.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 65 | K | 35.5 | Very low | 36 | Very low | 190 Ų | 190 | 148 Ų | 148 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | | | trans | -148.4 | 97.9 | 152.7 | -110.2 | -176.6 | -179.5 | -172 | 0 | 108.8 | | |
| 66 | L | 35 | Very low | 36.6 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | -71 | 120.7 | 160.5 | -64.4 | 165.1 | 0 | 0 | 0 | 107 | | |
| 67 | S | 42.4 | Very low | 37.2 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | trans | -135 | 106.7 | 158.1 | 58.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 68 | N | 31.9 | Very low | 37.4 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | trans | -31.9 | 135.4 | 154.2 | -91.4 | 7 | 0 | 0 | 0 | 112 | | |
| 69 | C | 37.6 | Very low | 37.9 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | | | | -158.1 | 114.4 | 125.1 | -90.8 | 0 | 0 | 0 | 0 | 107.5 | L71 | C69-L71 PolarHBondContact O-N 2.94Š|
| 70 | Q | 31.6 | Very low | 38.3 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -55.8 | 127.5 | 162.4 | -69.5 | 170.8 | -3.9 | 0 | 0 | 107.9 | | |
| 71 | L | 37.4 | Very low | 38.8 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | -132.9 | 106.6 | 162.6 | -162 | 70.7 | 0 | 0 | 0 | 108 | C69 | C69-L71 PolarHBondContact O-N 2.94Š|
| 72 | D | 35.2 | Very low | 39.4 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | | | trans | 17.2 | 123.2 | 159.6 | -63 | -66.5 | 0 | 0 | 0 | 120.2 | L74 | D72-L74 PolarHBondContact O-N 3.43Å; D72-L74 VanDerWaalsContact O-N 3.14Å |
| 73 | D | 36.6 | Very low | 40.5 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | | | trans | -43.5 | 106.4 | 151 | -90.6 | -41.6 | 0 | 0 | 0 | 111.3 | | |
| 74 | L | 44.9 | Very low | 41.2 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | -144.1 | 84.8 | 163.7 | -99.9 | 156.6 | 0 | 0 | 0 | 110.2 | D72 | D72-L74 PolarHBondContact O-N 3.43Å; D72-L74 VanDerWaalsContact O-N 3.14Å |
| 75 | N | 35.3 | Very low | 42.3 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | 68.4 | 133.4 | 157.8 | -64.4 | -52.7 | 0 | 0 | 0 | 119.3 | | |
| 76 | P | 44.4 | Very low | 42.9 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -63.2 | 130.7 | 174.9 | 27.3 | -32.8 | 0 | 0 | 0 | 109.2 | E78 | P76-E78 PolarHBondContact O-N 3.14Å; P76-E78 VanDerWaalsContact O-N 3.14Å |
| 77 | P | 49.7 | Very low | 43.4 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | -60.5 | 122.5 | 174.2 | 23.7 | -30.8 | 0 | 0 | 0 | 108.5 | N79 | P77-N79 PolarHBondContact O-N 2.73Š|
| 78 | E | 45 | Very low | 43.8 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -45.8 | 125.5 | 167 | -86.5 | 179.5 | 117.5 | 0 | 0 | 108.6 | P76 T80 | P76-E78 PolarHBondContact O-N 3.14Å; P76-E78 VanDerWaalsContact O-N 3.14Å; E78-T80 PolarHBondContact O-N 2.72Å; E78-T80 PolarHBondContact O-OG1 3.02Å |
| 79 | N | 44.4 | Very low | 44.8 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | | | trans | -62.7 | 76 | 174.1 | -74.8 | -71.3 | 0 | 0 | 0 | 109.4 | P77 P81 | P77-N79 PolarHBondContact O-N 2.73Å; N79-P81 WeakPolarHBondContact O-CD 3.46Å |
| 80 | T | 47 | Very low | 45.6 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | trans | -78.2 | 116.3 | 160.1 | 25.6 | 0 | 0 | 0 | 0 | 106.1 | E78 S82 | E78-T80 PolarHBondContact O-N 2.72Å; E78-T80 PolarHBondContact O-OG1 3.02Å; T80-S82 PolarHBondContact O-N 2.84Å |
| 81 | P | 48.5 | Very low | 47 | Very low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -57 | 110.8 | 174.9 | 20.5 | -28.4 | 0 | 0 | 0 | 107.3 | N79 A83 | N79-P81 WeakPolarHBondContact O-CD 3.46Å; P81-A83 PolarHBondContact O-N 2.76Å; P81-A83 VanDerWaalsContact O-N 3.14Å |
| 82 | S | 48.9 | Very low | 47.9 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56 | 122.3 | 175.9 | -71 | 0 | 0 | 0 | 0 | 107.6 | T80 | T80-S82 PolarHBondContact O-N 2.84Š|
| 83 | A | 52.9 | Low | 48.7 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 140.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | P81 | P81-A83 PolarHBondContact O-N 2.76Å; P81-A83 VanDerWaalsContact O-N 3.14Å |
| 84 | P | 51.5 | Low | 49.8 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 146.3 | -173.4 | 23.1 | -33.5 | 0 | 0 | 0 | 110.4 | T86 | P84-T86 PolarHBondContact O-N 3.16Š|
| 85 | P | 52.7 | Low | 50.4 | Low | 128 Ų | 128 | 141.4 Ų | 141.4 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | trans | -55.4 | 103.5 | -177 | 20.6 | -31.7 | 0 | 0 | 0 | 110.7 | G87 | P85-G87 PolarHBondContact O-N 3.31Š|
| 86 | T | 48.6 | Very low | 51.4 | Low | 144 Ų | 144 | 140.4 Ų | 140.4 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -71.9 | 82.1 | 172.7 | 51 | 0 | 0 | 0 | 0 | 107.9 | P84 | P84-T86 PolarHBondContact O-N 3.16Š|
| 87 | G | 45.3 | Very low | 51.8 | Low | 57 Ų | 57 | 140 Ų | 140 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | | | trans | -177.3 | 24.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | P85 K89 | P85-G87 PolarHBondContact O-N 3.31Å; G87-K89 PolarHBondContact O-N 2.78Å |
| 88 | S | 49.7 | Very low | 52 | Low | 125 Ų | 125 | 145.6 Ų | 145.6 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | -69.1 | 81.7 | 157.5 | -73.5 | 0 | 0 | 0 | 0 | 107.7 | R90 | S88-R90 PolarHBondContact O-N 3.06Š|
| 89 | K | 53.2 | Low | 52.2 | Low | 200 Ų | 200 | 142.4 Ų | 142.4 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | | | trans | -60.4 | 88.2 | 162.3 | -74.3 | -177.1 | 179.6 | 175.4 | 0 | 105.6 | G87 R91 | G87-K89 PolarHBondContact O-N 2.78Å; K89-R91 VanDerWaalsContact C-N 3.32Å; K89-R91 PolarHBondContact O-N 2.92Å |
| 90 | R | 55.3 | Low | 52.6 | Low | 221 Ų | 221 | 141.3 Ų | 141.3 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | trans | -57.2 | 103.5 | 172.9 | -163.1 | 176.1 | 76.6 | 175.9 | 4.9 | 105.1 | S88 K92 | S88-R90 PolarHBondContact O-N 3.06Å; R90-K92 VanDerWaalsContact C-N 3.32Å; R90-K92 PolarHBondContact O-N 2.78Å |
| 91 | R | 60.1 | Low | 52.6 | Low | 207 Ų | 207 | 142.2 Ų | 142.2 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | -56 | 102.7 | 176.7 | -175.2 | 176.3 | 70.2 | -177.6 | 1.5 | 105.3 | K89 Q93 | K89-R91 VanDerWaalsContact C-N 3.32Å; K89-R91 PolarHBondContact O-N 2.92Å; R91-Q93 VanDerWaalsContact C-N 3.29Å; R91-Q93 PolarHBondContact O-N 2.73Å |
| 92 | K | 57.8 | Low | 52.4 | Low | 177 Ų | 177 | 141.5 Ų | 141.5 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -59.6 | 102.7 | 171.5 | -68.3 | -177.8 | 179.1 | -179.5 | 0 | 104.1 | R90 I94 | R90-K92 VanDerWaalsContact C-N 3.32Å; R90-K92 PolarHBondContact O-N 2.78Å; K92-I94 VanDerWaalsContact C-N 3.32Å; K92-I94 PolarHBondContact O-N 2.75Å |
| 93 | Q | 51.9 | Low | 52.3 | Low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | | | trans | -59.4 | 108.3 | 165.4 | -88.4 | -176.6 | -14.6 | 0 | 0 | 104.7 | R91 L95 | R91-Q93 VanDerWaalsContact C-N 3.29Å; R91-Q93 PolarHBondContact O-N 2.73Å; Q93-L95 PolarHBondContact O-N 3.37Å |
| 94 | I | 59.8 | Low | 52 | Low | 156 Ų | 156 | 144.3 Ų | 144.3 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | | | trans | -68 | 98.2 | 168.1 | -61.4 | 167.4 | 0 | 0 | 0 | 103.4 | K92 | K92-I94 VanDerWaalsContact C-N 3.32Å; K92-I94 PolarHBondContact O-N 2.75Å |
| 95 | L | 56.2 | Low | 51.7 | Low | 145 Ų | 145 | 143.8 Ų | 143.8 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | -56.4 | 133.2 | 166.6 | -85.2 | 140.9 | 0 | 0 | 0 | 106.7 | Q93 S97 | Q93-L95 PolarHBondContact O-N 3.37Å; L95-S97 PolarHBondContact O-N 2.88Å |
| 96 | P | 55.7 | Low | 51.5 | Low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | | | trans | -50.3 | 113 | 175 | -25.3 | 33.1 | 0 | 0 | 0 | 108.7 | R98 | P96-R98 PolarHBondContact O-N 2.96Š|
| 97 | S | 54.4 | Low | 51.2 | Low | 102 Ų | 102 | 145.1 Ų | 145.1 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | -59.6 | 111.7 | 172.4 | 46.2 | 0 | 0 | 0 | 0 | 106.3 | L95 T99 | L95-S97 PolarHBondContact O-N 2.88Å; S97-T99 VanDerWaalsContact C-N 3.34Å; S97-T99 PolarHBondContact O-N 3.16Å |
| 98 | R | 53.9 | Low | 51 | Low | 238 Ų | 238 | 146.3 Ų | 146.3 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | | | trans | -55.7 | 105.8 | 166.1 | -81.6 | 178.7 | 135.4 | 174.5 | -4.6 | 106 | P96 N100 | P96-R98 PolarHBondContact O-N 2.96Å; R98-N100 VanDerWaalsContact C-N 3.32Å; R98-N100 PolarHBondContact O-N 2.95Å |
| 99 | T | 48.1 | Very low | 50.7 | Low | 107 Ų | 107 | 146.5 Ų | 146.5 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | | | trans | -58.7 | 105.2 | 165.2 | 5.3 | 0 | 0 | 0 | 0 | 105.8 | S97 N101 | S97-T99 VanDerWaalsContact C-N 3.34Å; S97-T99 PolarHBondContact O-N 3.16Å; T99-N101 PolarHBondContact O-N 3.42Å |
| 100 | N | 52.7 | Low | 50.1 | Low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | | | trans | -63.4 | 75.4 | 161.3 | 50.1 | -34.8 | 0 | 0 | 0 | 107.3 | R98 S102 | R98-N100 VanDerWaalsContact C-N 3.32Å; R98-N100 PolarHBondContact O-N 2.95Å; N100-S102 PolarHBondContact O-N 3.07Å |
| 101 | N | 48.2 | Very low | 49.2 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -69.8 | 77.4 | 158.9 | -67.8 | -15.1 | 0 | 0 | 0 | 105.8 | T99 T103 | T99-N101 PolarHBondContact O-N 3.42Å; N101-T103 PolarHBondContact O-N 3.06Å |
| 102 | S | 43.2 | Very low | 48.3 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -68.5 | 64.6 | 163.8 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | N100 D104 | N100-S102 PolarHBondContact O-N 3.07Å; S102-D104 PolarHBondContact O-N 3.42Å |
| 103 | T | 47.7 | Very low | 47.6 | Very low | 108 Ų | 108 | 139 Ų | 139 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | | | trans | -88.5 | 101 | 158.9 | -47.7 | 0 | 0 | 0 | 0 | 104.4 | N101 S105 | N101-T103 PolarHBondContact O-N 3.06Å; T103-S105 PolarHBondContact O-N 2.82Å |
| 104 | D | 46 | Very low | 47 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | trans | -56.7 | 70.2 | 165.8 | -158.5 | 6.7 | 0 | 0 | 0 | 108.4 | S102 H106 | S102-D104 PolarHBondContact O-N 3.42Å; D104-H106 PolarHBondContact O-N 3.07Å |
| 105 | S | 45.2 | Very low | 46.2 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | | | trans | -94.8 | 96.9 | -180 | 66.1 | 0 | 0 | 0 | 0 | 107 | T103 C107 | T103-S105 PolarHBondContact O-N 2.82Å; S105-C107 PolarHBondContact O-N 2.96Å |
| 106 | H | 49.5 | Very low | 45.6 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | | | trans | -22.2 | 121.3 | 165.4 | -91.4 | -77.6 | 0 | 0 | 0 | 113 | D104 A108 | D104-H106 PolarHBondContact O-N 3.07Å; H106-A108 PolarHBondContact O-N 2.84Å |
| 107 | C | 41.4 | Very low | 45.3 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -58.5 | 85.6 | 165.4 | -65.2 | 0 | 0 | 0 | 0 | 109.7 | S105 V109 | S105-C107 PolarHBondContact O-N 2.96Å; C107-V109 VanDerWaalsContact C-N 3.34Å; C107-V109 PolarHBondContact O-N 2.98Å; C107-V109 VanDerWaalsContact O-N 3.16Å |
| 108 | A | 41 | Very low | 44.8 | Very low | 82 Ų | 82 | 143.5 Ų | 143.5 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | | | trans | -77.2 | 95.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | H106 Q110 | H106-A108 PolarHBondContact O-N 2.84Å; A108-Q110 PolarHBondContact O-N 3.04Å |
| 109 | V | 42.4 | Very low | 44.7 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | | | trans | -67.3 | 79 | 174 | -161.3 | 0 | 0 | 0 | 0 | 107.6 | C107 S111 | C107-V109 VanDerWaalsContact C-N 3.34Å; C107-V109 PolarHBondContact O-N 2.98Å; C107-V109 VanDerWaalsContact O-N 3.16Å; V109-S111 PolarHBondContact O-N 2.77Å |
| 110 | Q | 40.8 | Very low | 45.1 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | | | trans | -92.9 | 91.2 | 170.3 | -66.3 | -152.6 | -34.1 | 0 | 0 | 108 | A108 E112 | A108-Q110 PolarHBondContact O-N 3.04Å; Q110-E112 VanDerWaalsContact C-N 3.31Å; Q110-E112 PolarHBondContact O-N 2.81Å |
| 111 | S | 37.6 | Very low | 45.2 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | -72.2 | 79.9 | 170.2 | 56.2 | 0 | 0 | 0 | 0 | 109.9 | V109 | V109-S111 PolarHBondContact O-N 2.77Š|
| 112 | E | 40.9 | Very low | 45.8 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -134 | 86.8 | 166.3 | -70 | -158.5 | 173.2 | 0 | 0 | 110.9 | Q110 E114 | Q110-E112 VanDerWaalsContact C-N 3.31Å; Q110-E112 PolarHBondContact O-N 2.81Å; E112-E114 VanDerWaalsContact C-N 3.33Å; E112-E114 PolarHBondContact O-N 2.77Å |
| 113 | H | 42.3 | Very low | 46.5 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | | | | 42.3 | 40.9 | 126 | -115.3 | -62.7 | 0 | 0 | 0 | 119.3 | K115 | H113-K115 PolarHBondContact O-N 3.25Š|
| 114 | E | 40.6 | Very low | 47.3 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | | | trans | -79.7 | 82.1 | 170.4 | -156.6 | 150.1 | -164.7 | 0 | 0 | 110 | E112 S116 | E112-E114 VanDerWaalsContact C-N 3.33Å; E112-E114 PolarHBondContact O-N 2.77Å; E114-S116 PolarHBondContact O-N 2.85Å |
| 115 | K | 42.8 | Very low | 47.6 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | trans | -46.2 | 105.9 | 172.8 | -165.1 | 170 | -174.1 | 174.6 | 0 | 108.3 | H113 R117 | H113-K115 PolarHBondContact O-N 3.25Å; K115-R117 PolarHBondContact O-N 2.94Å |
| 116 | S | 44.3 | Very low | 48.1 | Very low | 92 Ų | 92 | 152.9 Ų | 152.9 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | trans | -49 | 118 | 178.4 | 52.7 | 0 | 0 | 0 | 0 | 108.9 | E114 N118 | E114-S116 PolarHBondContact O-N 2.85Å; S116-N118 VanDerWaalsContact C-N 3.28Å; S116-N118 PolarHBondContact O-N 2.86Å; S116-N118 PolarHBondContact O-OD1 2.78Å |
| 117 | R | 47.5 | Very low | 48.6 | Very low | 210 Ų | 210 | 152 Ų | 152 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | -61.7 | 93.6 | 174.3 | -62.8 | 175.7 | -164.1 | 168.9 | 7 | 107 | K115 C119 | K115-R117 PolarHBondContact O-N 2.94Å; R117-C119 VanDerWaalsContact C-N 3.31Å; R117-C119 PolarHBondContact O-N 2.98Å |
| 118 | N | 45.8 | Very low | 49.3 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | | | trans | -61.8 | 99.1 | 168.8 | -88.5 | 43.8 | 0 | 0 | 0 | 107.2 | S116 H120 | S116-N118 VanDerWaalsContact C-N 3.28Å; S116-N118 PolarHBondContact O-N 2.86Å; S116-N118 PolarHBondContact O-OD1 2.78Å; N118-H120 VanDerWaalsContact C-N 3.33Å; N118-H120 PolarHBondContact O-CD2 2.76Å; N118-H120 PolarHBondContact O-N 3.23Å |
| 119 | C | 50.3 | Low | 49.7 | Very low | 97 Ų | 97 | 157 Ų | 157 | 66% | 0.655 | 77% | 0.765 | S | S | * | * | | | trans | -61.7 | 96.2 | 170.3 | -69.7 | 0 | 0 | 0 | 0 | 108.2 | R117 H121 | R117-C119 VanDerWaalsContact C-N 3.31Å; R117-C119 PolarHBondContact O-N 2.98Å; C119-H121 PolarHBondContact O-N 3.19Å; C119-H121 PolarHBondContact O-ND1 2.89Å |
| 120 | H | 57.4 | Low | 49.7 | Very low | 158 Ų | 158 | 161.1 Ų | 161.1 | 73% | 0.731 | 77% | 0.766 | S | S | * | * | | | trans | -68.4 | 98.9 | 173.1 | -67.9 | -70.5 | 0 | 0 | 0 | 109.2 | N118 K122 | N118-H120 VanDerWaalsContact C-N 3.33Å; N118-H120 PolarHBondContact O-CD2 2.76Å; N118-H120 PolarHBondContact O-N 3.23Å; H120-K122 PolarHBondContact O-N 3.16Å |
| 121 | H | 54.5 | Low | 50 | Low | 175 Ų | 175 | 159.9 Ų | 159.9 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | | | trans | -69.5 | 98.8 | 171 | -67.2 | 71.5 | 0 | 0 | 0 | 108.1 | C119 S123 | C119-H121 PolarHBondContact O-N 3.19Å; C119-H121 PolarHBondContact O-ND1 2.89Å; H121-S123 PolarHBondContact O-N 3.07Å; H121-S123 VanDerWaalsContact O-N 3.17Å |
| 122 | K | 61.4 | Low | 50.2 | Low | 189 Ų | 189 | 162.9 Ų | 162.9 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | | | trans | -76.1 | 101.6 | 175 | -66.6 | -170.6 | 176.3 | -175.4 | 0 | 109.1 | H120 K124 | H120-K122 PolarHBondContact O-N 3.16Å; K122-K124 PolarHBondContact O-N 2.86Å |
| 123 | S | 58 | Low | 50.3 | Low | 101 Ų | 101 | 160.1 Ų | 160.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | -61.6 | 119.3 | 168.5 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | H121 H125 | H121-S123 PolarHBondContact O-N 3.07Å; H121-S123 VanDerWaalsContact O-N 3.17Å; S123-H125 PolarHBondContact O-N 3.47Å |
| 124 | K | 64.5 | Low | 50.1 | Low | 196 Ų | 196 | 159.7 Ų | 159.7 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | | | trans | -91.7 | 85.5 | 174.4 | -68.8 | -164.5 | 179.3 | -177.5 | 0 | 109.3 | K122 | K122-K124 PolarHBondContact O-N 2.86Š|
| 125 | H | 51.9 | Low | 49.9 | Very low | 151 Ų | 151 | 158.5 Ų | 158.5 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | -91.6 | 104.2 | 162.5 | -86.9 | 0.5 | 0 | 0 | 0 | 109.6 | S123 H127 | S123-H125 PolarHBondContact O-N 3.47Å; H125-H127 PolarHBondContact O-N 2.81Å |
| 126 | R | 54.7 | Low | 49.6 | Very low | 217 Ų | 217 | 158.3 Ų | 158.3 | 82% | 0.819 | 76% | 0.762 | S | S | * | * | | | trans | -83.2 | 95 | 174.8 | -153.4 | -179.6 | -168.6 | -158.5 | 2.4 | 107.1 | H128 | R126-H128 PolarHBondContact O-N 2.89Š|
| 127 | H | 60.7 | Low | 49.4 | Very low | 159 Ų | 159 | 159.3 Ų | 159.3 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | trans | -68.5 | 112.5 | 172.2 | -66.1 | -77.8 | 0 | 0 | 0 | 108.5 | H125 N129 | H125-H127 PolarHBondContact O-N 2.81Å; H127-N129 PolarHBondContact O-N 3.04Å |
| 128 | H | 56.9 | Low | 48.9 | Very low | 160 Ų | 160 | 157.4 Ų | 157.4 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | -70.3 | 98.5 | 166.1 | -69.6 | -78.8 | 0 | 0 | 0 | 107.3 | R126 R130 | R126-H128 PolarHBondContact O-N 2.89Å; H128-R130 PolarHBondContact O-N 3.39Å |
| 129 | N | 48.1 | Very low | 48.6 | Very low | 150 Ų | 150 | 161 Ų | 161 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | trans | -61.6 | 104.7 | 167.2 | -103.5 | -4 | 0 | 0 | 0 | 107.5 | H127 I131 | H127-N129 PolarHBondContact O-N 3.04Å; N129-I131 VanDerWaalsContact C-N 3.32Å; N129-I131 PolarHBondContact O-N 2.99Å |
| 130 | R | 43.7 | Very low | 47.7 | Very low | 216 Ų | 216 | 161.4 Ų | 161.4 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | | | trans | -67.8 | 98.8 | 162.8 | -79.9 | -175.8 | -174 | 168.6 | 2.6 | 106.3 | H128 F132 | H128-R130 PolarHBondContact O-N 3.39Å; R130-F132 VanDerWaalsContact C-N 3.34Å; R130-F132 PolarHBondContact O-N 2.91Å |
| 131 | I | 46.1 | Very low | 46.6 | Very low | 153 Ų | 153 | 157.3 Ų | 157.3 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | -64.7 | 101.4 | 166.3 | -60.4 | 167.8 | 0 | 0 | 0 | 105.4 | N129 | N129-I131 VanDerWaalsContact C-N 3.32Å; N129-I131 PolarHBondContact O-N 2.99Å |
| 132 | F | 42.6 | Very low | 45.8 | Very low | 172 Ų | 172 | 159.2 Ų | 159.2 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | trans | -67.7 | 131.2 | 161.8 | -80.7 | -89.5 | 0 | 0 | 0 | 107 | R130 H134 | R130-F132 VanDerWaalsContact C-N 3.34Å; R130-F132 PolarHBondContact O-N 2.91Å; F132-H134 VanDerWaalsContact C-N 3.28Å; F132-H134 PolarHBondContact O-N 2.71Å |
| 133 | P | 42.3 | Very low | 44.3 | Very low | 117 Ų | 117 | 153.9 Ų | 153.9 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | -65.9 | 96 | 170.3 | 26.7 | -30.1 | 0 | 0 | 0 | 107 | D135 | P133-D135 PolarHBondContact O-N 3.29Å; P133-D135 VanDerWaalsContact O-N 3.14Å |
| 134 | H | 37.5 | Very low | 43.2 | Very low | 174 Ų | 174 | 154.9 Ų | 154.9 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | | | trans | -67.8 | 111.7 | 169.2 | -167.5 | -74.7 | 0 | 0 | 0 | 106 | F132 M136 | F132-H134 VanDerWaalsContact C-N 3.28Å; F132-H134 PolarHBondContact O-N 2.71Å; H134-M136 PolarHBondContact O-N 2.8Å |
| 135 | D | 36.5 | Very low | 41.7 | Very low | 140 Ų | 140 | 151.4 Ų | 151.4 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | trans | -42.2 | 132.6 | 174.5 | -97.9 | -39.8 | 0 | 0 | 0 | 110.3 | P133 V137 | P133-D135 PolarHBondContact O-N 3.29Å; P133-D135 VanDerWaalsContact O-N 3.14Å; D135-V137 VanDerWaalsContact C-N 3.25Å; D135-V137 PolarHBondContact O-N 2.94Å |
| 136 | M | 36.8 | Very low | 41 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | | | trans | -64.3 | 84.8 | 176.1 | -63.2 | 175.1 | 78.2 | 0 | 0 | 108.6 | H134 E138 | H134-M136 PolarHBondContact O-N 2.8Å; M136-E138 VanDerWaalsContact C-N 3.27Å; M136-E138 PolarHBondContact O-N 3.5Å |
| 137 | V | 40.4 | Very low | 39.9 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | -90.8 | 82.1 | 161 | -169.9 | 0 | 0 | 0 | 0 | 106.8 | D135 K139 | D135-V137 VanDerWaalsContact C-N 3.25Å; D135-V137 PolarHBondContact O-N 2.94Å; V137-K139 VanDerWaalsContact C-N 3.32Å; V137-K139 PolarHBondContact O-N 3.4Å |
| 138 | E | 36.8 | Very low | 38.7 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -55.7 | 90.3 | 168.1 | -166.8 | 174.7 | -153.7 | 0 | 0 | 109 | M136 | M136-E138 VanDerWaalsContact C-N 3.27Å; M136-E138 PolarHBondContact O-N 3.5Å |
| 139 | K | 38.6 | Very low | 37.5 | Very low | 192 Ų | 192 | 141 Ų | 141 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | -103.7 | 100.8 | 162.7 | -95.9 | -178.3 | 174.7 | -177.1 | 0 | 107.4 | V137 G141 | V137-K139 VanDerWaalsContact C-N 3.32Å; V137-K139 PolarHBondContact O-N 3.4Å; K139-G141 VanDerWaalsContact C-N 3.27Å; K139-G141 PolarHBondContact O-N 2.73Å |
| 140 | C | 32.3 | Very low | 36.6 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | | | trans | -51.6 | 89.1 | 167.7 | -63.2 | 0 | 0 | 0 | 0 | 110.1 | Y142 | C140-Y142 PolarHBondContact O-N 3.13Š|
| 141 | G | 34.6 | Very low | 36.3 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | trans | -85.9 | 104.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | K139 G143 | K139-G141 VanDerWaalsContact C-N 3.27Å; K139-G141 PolarHBondContact O-N 2.73Å; G141-G143 PolarHBondContact O-N 2.82Å |
| 142 | Y | 36.4 | Very low | 35.5 | Very low | 216 Ų | 216 | 134.7 Ų | 134.7 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | trans | -36.9 | 121.5 | 174.5 | -65.5 | -94.6 | 0 | 0 | 0 | 112.9 | C140 V144 | C140-Y142 PolarHBondContact O-N 3.13Å; Y142-V144 PolarHBondContact O-N 3.43Å |
| 143 | G | 29.9 | Very low | 35.2 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | -61.2 | 121.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | G141 | G141-G143 PolarHBondContact O-N 2.82Š|
| 144 | V | 36.3 | Very low | 34.8 | Very low | 123 Ų | 123 | 132 Ų | 132 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | | | trans | -132.1 | 86.3 | 155.8 | -166.7 | 0 | 0 | 0 | 0 | 106.5 | Y142 S146 | Y142-V144 PolarHBondContact O-N 3.43Å; V144-S146 PolarHBondContact O-N 3.17Å |
| 145 | S | 32.7 | Very low | 34.9 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | -68.6 | 103.5 | 162 | -63 | 0 | 0 | 0 | 0 | 107.6 | | |
| 146 | S | 36.2 | Very low | 34.6 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | trans | -115.6 | 95.2 | 162.1 | -98 | 0 | 0 | 0 | 0 | 108.4 | V144 | V144-S146 PolarHBondContact O-N 3.17Š|
| 147 | S | 33.5 | Very low | 34.7 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | -74.8 | 111 | 158.4 | 54.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 148 | C | 35.5 | Very low | 34.3 | Very low | 120 Ų | 120 | 130 Ų | 130 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 122.7 | 164.5 | 54.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 149 | T | 30.2 | Very low | 34.4 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 137.5 | 177.6 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | P151 | T149-P151 WeakPolarHBondContact O-CD 3.12Š|
| 150 | V | 30.6 | Very low | 34.3 | Very low | 133 Ų | 133 | 126 Ų | 126 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 130.4 | 167.9 | -179 | 0 | 0 | 0 | 0 | 109.1 | | |
| 151 | P | 36.8 | Very low | 34.6 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -125.9 | 135.9 | 144.3 | 20.9 | -2.2 | 0 | 0 | 0 | 111.9 | T149 | T149-P151 WeakPolarHBondContact O-CD 3.12Š|
| 152 | N | 29.3 | Very low | 34.6 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | trans | -54.1 | 127.7 | 171.2 | -174.3 | 4.7 | 0 | 0 | 0 | 112.2 | N154 | N152-N154 PolarHBondContact OD1-N 2.9Š|
| 153 | S | 36.4 | Very low | 34.4 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -131.7 | 99.2 | 155.6 | 70.7 | 0 | 0 | 0 | 0 | 109.2 | D155 | S153-D155 PolarHBondContact O-N 3.18Š|
| 154 | N | 33.8 | Very low | 34.6 | Very low | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | -70.8 | 91.8 | 163.9 | 46.6 | -30 | 0 | 0 | 0 | 110.3 | N152 | N152-N154 PolarHBondContact OD1-N 2.9Š|
| 155 | D | 38.7 | Very low | 34.3 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | | | trans | -127 | 103.6 | 160.1 | -78.4 | -44.9 | 0 | 0 | 0 | 108.9 | S153 H157 | S153-D155 PolarHBondContact O-N 3.18Å; D155-H157 PolarHBondContact O-N 3.23Å |
| 156 | G | 31.3 | Very low | 34.3 | Very low | 83 Ų | 83 | 129.2 Ų | 129.2 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | | | trans | -66.5 | 98.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 157 | H | 38.6 | Very low | 34.2 | Very low | 173 Ų | 173 | 130 Ų | 130 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | | | trans | -99.5 | 125 | 161.8 | -80.6 | -63.9 | 0 | 0 | 0 | 109.8 | D155 | D155-H157 PolarHBondContact O-N 3.23Š|
| 158 | E | 32.1 | Very low | 34.1 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | | | trans | -57.6 | 145.8 | -169.1 | -63.4 | 168.8 | 141.1 | 0 | 0 | 113.1 | S160 | E158-S160 PolarHBondContact O-N 3.39Š|
| 159 | L | 39.8 | Very low | 33.8 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | | | trans | -62.5 | 97.4 | 170.5 | -63.7 | 166.9 | 0 | 0 | 0 | 109.5 | S161 | L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.34Å |
| 160 | S | 36.5 | Very low | 33.9 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -77.1 | 89.6 | 165.2 | 57.2 | 0 | 0 | 0 | 0 | 109 | E158 I162 | E158-S160 PolarHBondContact O-N 3.39Å; S160-I162 PolarHBondContact O-N 3.27Å; S160-I162 VanDerWaalsContact O-N 3.17Å |
| 161 | S | 36.6 | Very low | 33.9 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | -59.3 | 109.2 | 167 | 27.8 | 0 | 0 | 0 | 0 | 110.2 | L159 I163 | L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.34Å; S161-I163 PolarHBondContact O-N 3.06Å; S161-I163 VanDerWaalsContact O-N 3.16Å |
| 162 | I | 36.3 | Very low | 33.6 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | | | trans | -75.8 | 101.3 | 172.6 | -63.4 | 170.7 | 0 | 0 | 0 | 107.8 | S160 L164 | S160-I162 PolarHBondContact O-N 3.27Å; S160-I162 VanDerWaalsContact O-N 3.17Å; I162-L164 HydrophobicContact CG2-CB 4.5Å; I162-L164 PolarHBondContact O-N 2.96Å |
| 163 | I | 32.3 | Very low | 33.5 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 67% | 0.672 | 77% | 0.772 | S | S | * | * | | | trans | -77.4 | 97.6 | 165.9 | -60.3 | 171.4 | 0 | 0 | 0 | 106.5 | S161 | S161-I163 PolarHBondContact O-N 3.06Å; S161-I163 VanDerWaalsContact O-N 3.16Å |
| 164 | L | 33.9 | Very low | 33.3 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -100.1 | 94.1 | 165.5 | -149.3 | 80.6 | 0 | 0 | 0 | 108.9 | I162 S166 | I162-L164 HydrophobicContact CG2-CB 4.5Å; I162-L164 PolarHBondContact O-N 2.96Å; L164-S166 PolarHBondContact O-N 3.12Å |
| 165 | N | 29.9 | Very low | 33.1 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | | | trans | -62.6 | 118.2 | 165.9 | -67.9 | -41.7 | 0 | 0 | 0 | 108.9 | | |
| 166 | S | 33 | Very low | 32.8 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -132.1 | 138 | 156.7 | 56.6 | 0 | 0 | 0 | 0 | 110.4 | L164 | L164-S166 PolarHBondContact O-N 3.12Š|
| 167 | P | 32.6 | Very low | 32.8 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | trans | -90.7 | 162.6 | -161.1 | 2.3 | 19.2 | 0 | 0 | 0 | 112.8 | G169 | P167-G169 PolarHBondContact O-N 3.18Š|
| 168 | P | 32.1 | Very low | 32.7 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | | | trans | -78.8 | 111.4 | -175.8 | 30.8 | -30.9 | 0 | 0 | 0 | 111.6 | | |
| 169 | G | 29.8 | Very low | 32.7 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 133.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P167 | P167-G169 PolarHBondContact O-N 3.18Š|
| 170 | Q | 30.9 | Very low | 32.2 | Very low | 178 Ų | 178 | 132 Ų | 132 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 153.3 | -159.7 | -72.2 | -175.3 | -32.4 | 0 | 0 | 118.4 | | |
| 171 | P | 32.3 | Very low | 32.1 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 123.1 | 167.4 | 31.7 | -31 | 0 | 0 | 0 | 111.3 | F173 | P171-F173 HydrophobicContact CB-CD2 4.38Å; P171-F173 HydrophobicContact CB-CE2 4.15Å; P171-F173 HydrophobicContact CG-CE2 4.39Å |
| 172 | T | 29.8 | Very low | 32.1 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -91.2 | 102 | 169.3 | -35.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 173 | F | 27.4 | Very low | 32 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 77% | 0.768 | 78% | 0.784 | S | S | * | * | | | trans | -81.6 | 119.7 | 163 | -75.5 | -90 | 0 | 0 | 0 | 108.3 | P171 | P171-F173 HydrophobicContact CB-CD2 4.38Å; P171-F173 HydrophobicContact CB-CE2 4.15Å; P171-F173 HydrophobicContact CG-CE2 4.39Å |
| 174 | S | 32.4 | Very low | 32.3 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | | | trans | -132.3 | 86.1 | 164.2 | -56.5 | 0 | 0 | 0 | 0 | 107.1 | T176 | S174-T176 PolarHBondContact O-N 3.1Š|
| 175 | D | 29.3 | Very low | 32.6 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | | | trans | -58.5 | 116.3 | 164.2 | -73.8 | -45.6 | 0 | 0 | 0 | 108.8 | | |
| 176 | T | 31.7 | Very low | 33.2 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | | | trans | -130.8 | 126.3 | 161.5 | -54.6 | 0 | 0 | 0 | 0 | 109.2 | S174 | S174-T176 PolarHBondContact O-N 3.1Š|
| 177 | L | 32.4 | Very low | 33.5 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | trans | -59.2 | 155.2 | -161.5 | -68.6 | 162.5 | 0 | 0 | 0 | 115.1 | S179 | L177-S179 PolarHBondContact O-N 3.37Š|
| 178 | P | 35.4 | Very low | 33.8 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | -74.9 | 112.2 | 174.8 | 29.7 | -32.3 | 0 | 0 | 0 | 111.1 | | |
| 179 | S | 33.1 | Very low | 34.8 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -90.5 | 105.2 | 165.1 | 63.1 | 0 | 0 | 0 | 0 | 109.6 | L177 K181 | L177-S179 PolarHBondContact O-N 3.37Å; S179-K181 PolarHBondContact O-N 3.48Å |
| 180 | Q | 29.6 | Very low | 35.4 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -59.2 | 127.4 | 157.4 | -71 | -165.3 | -85.2 | 0 | 0 | 109.1 | | |
| 181 | K | 34.4 | Very low | 36.3 | Very low | 202 Ų | 202 | 135.2 Ų | 135.2 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | | | trans | -150.4 | 124.8 | 153 | -141.4 | 168.5 | -173.9 | 176.2 | 0 | 110.6 | S179 | S179-K181 PolarHBondContact O-N 3.48Š|
| 182 | D | 35.9 | Very low | 36.6 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | | | trans | -62.2 | 146 | -173.2 | -55.8 | -69.6 | 0 | 0 | 0 | 114 | | |
| 183 | S | 33.8 | Very low | 37.4 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | 26.8 | 106.8 | 134.1 | 172.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 184 | S | 39.2 | Very low | 38.1 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | -145.1 | 120.7 | 136.3 | 59.4 | 0 | 0 | 0 | 0 | 110.7 | C186 | S184-C186 PolarHBondContact O-N 2.85Š|
| 185 | H | 40.8 | Very low | 38.6 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | -59.6 | 120.9 | 165.7 | -69.6 | -59 | 0 | 0 | 0 | 109.9 | | |
| 186 | C | 40.9 | Very low | 39.6 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -103 | 101.2 | 158.2 | -81.8 | 0 | 0 | 0 | 0 | 108.2 | S184 | S184-C186 PolarHBondContact O-N 2.85Š|
| 187 | S | 40.5 | Very low | 40.6 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -63 | 132.9 | 168.5 | -51.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 188 | S | 38.6 | Very low | 41.4 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | 45 | 97 | 145.2 | 66.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 189 | C | 51.9 | Low | 41.7 | Very low | 123 Ų | 123 | 138 Ų | 138 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | | | trans | -91.1 | 97.1 | 145 | 37.6 | 0 | 0 | 0 | 0 | 108.7 | S191 | C189-S191 PolarHBondContact O-N 2.7Å; C189-S191 VanDerWaalsContact O-N 3.08Å |
| 190 | L | 42.9 | Very low | 42.3 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -66.6 | 92.3 | 162.8 | -75.7 | 156.7 | 0 | 0 | 0 | 108.1 | K192 | L190-K192 PolarHBondContact O-N 2.93Å; L190-K192 VanDerWaalsContact O-N 3.12Å |
| 191 | S | 49.6 | Very low | 43.2 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -78.5 | 96.4 | 167.6 | -72.6 | 0 | 0 | 0 | 0 | 108.9 | C189 S193 | C189-S191 PolarHBondContact O-N 2.7Å; C189-S191 VanDerWaalsContact O-N 3.08Å; S191-S193 PolarHBondContact O-N 3.01Å |
| 192 | K | 39.7 | Very low | 43.3 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 81% | 0.809 | 77% | 0.771 | S | S | * | * | | | trans | -73.6 | 98.6 | 167.7 | 179.9 | 156.3 | 127.6 | 179.8 | 0 | 108.5 | L190 T194 | L190-K192 PolarHBondContact O-N 2.93Å; L190-K192 VanDerWaalsContact O-N 3.12Å; K192-T194 HydrophobicContact CG-CG2 4.11Å |
| 193 | S | 45.3 | Very low | 43.3 | Very low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | -89.1 | 106.5 | 164.6 | 170.1 | 0 | 0 | 0 | 0 | 107.6 | S191 | S191-S193 PolarHBondContact O-N 3.01Š|
| 194 | T | 43.8 | Very low | 43.4 | Very low | 104 Ų | 104 | 132 Ų | 132 | 64% | 0.638 | 77% | 0.772 | S | S | * | * | | | trans | -88.5 | 124.7 | 168.6 | 42.6 | 0 | 0 | 0 | 0 | 108.9 | K192 | K192-T194 HydrophobicContact CG-CG2 4.11Š|
| 195 | D | 42.5 | Very low | 43.3 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | | | | 42.4 | 104.8 | 129.3 | -150.1 | 18.9 | 0 | 0 | 0 | 117.4 | | |
| 196 | D | 49.6 | Very low | 43 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | | | trans | -133.6 | 87.7 | 151.9 | -133.7 | -11.7 | 0 | 0 | 0 | 107.8 | | |
| 197 | E | 53.8 | Low | 42.9 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | trans | 45.9 | 99.3 | 141.7 | -68.7 | -72.9 | 104.8 | 0 | 0 | 118.4 | N199 | E197-N199 PolarHBondContact O-N 3Å; E197-N199 VanDerWaalsContact O-N 3.13Å |
| 198 | N | 47.5 | Very low | 42.7 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | trans | -38.3 | 107.4 | 150.7 | -72.4 | -54.6 | 0 | 0 | 0 | 113.3 | I200 | N198-I200 HydrophobicContact CB-CD1 4.38Å; N198-I200 HydrophobicContact CB-CG1 4.24Å; N198-I200 PolarHBondContact O-N 2.82Å |
| 199 | N | 42.2 | Very low | 42.7 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | -93.2 | 74.7 | 160.4 | -147 | -8.7 | 0 | 0 | 0 | 108.3 | E197 | E197-N199 PolarHBondContact O-N 3Å; E197-N199 VanDerWaalsContact O-N 3.13Å |
| 200 | I | 45.9 | Very low | 42 | Very low | 126 Ų | 126 | 131 Ų | 131 | 65% | 0.646 | 77% | 0.767 | S | S | * | * | | | trans | -103.1 | 113.9 | 174.8 | -56.7 | 176.5 | 0 | 0 | 0 | 108.6 | N198 S202 | N198-I200 HydrophobicContact CB-CD1 4.38Å; N198-I200 HydrophobicContact CB-CG1 4.24Å; N198-I200 PolarHBondContact O-N 2.82Å; I200-S202 PolarHBondContact O-N 2.98Å |
| 201 | P | 47.4 | Very low | 42 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | | | trans | -70.9 | 124.2 | 166.9 | -9.6 | 25.2 | 0 | 0 | 0 | 109.4 | G203 | P201-G203 PolarHBondContact O-N 2.82Š|
| 202 | S | 37.8 | Very low | 41.8 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | | | trans | -58.2 | 89.1 | 171.7 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | I200 | I200-S202 PolarHBondContact O-N 2.98Š|
| 203 | G | 36.4 | Very low | 42 | Very low | 61 Ų | 61 | 132 Ų | 132 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | | | trans | -97.1 | 99.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P201 C205 | P201-G203 PolarHBondContact O-N 2.82Å; G203-C205 PolarHBondContact O-N 3.26Å |
| 204 | H | 34.2 | Very low | 42 | Very low | 189 Ų | 189 | 132.7 Ų | 132.7 | 88% | 0.875 | 76% | 0.755 | S | S | * | * | | | trans | -62.3 | 101.2 | 169.6 | -112.6 | -84.6 | 0 | 0 | 0 | 109.3 | | |
| 205 | C | 37.3 | Very low | 41.9 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | | | trans | -115.1 | 109.1 | 166.9 | -49.1 | 0 | 0 | 0 | 0 | 107.1 | G203 A207 | G203-C205 PolarHBondContact O-N 3.26Å; C205-A207 PolarHBondContact O-N 2.97Å |
| 206 | E | 35.8 | Very low | 42.1 | Very low | 183 Ų | 183 | 136.7 Ų | 136.7 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -57.7 | 126.5 | -179.7 | -67.8 | -178.6 | 153.7 | 0 | 0 | 111.1 | S208 | E206-S208 PolarHBondContact O-N 3.21Š|
| 207 | A | 38.7 | Very low | 42 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | -66.3 | 96.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | C205 S209 | C205-A207 PolarHBondContact O-N 2.97Å; A207-S209 PolarHBondContact O-N 3.44Å; A207-S209 VanDerWaalsContact O-N 3.17Å |
| 208 | S | 36.6 | Very low | 41.7 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -77.6 | 94 | 157.7 | 55.1 | 0 | 0 | 0 | 0 | 107.9 | E206 T210 | E206-S208 PolarHBondContact O-N 3.21Å; S208-T210 VanDerWaalsContact C-N 3.34Å; S208-T210 PolarHBondContact O-N 3.35Å |
| 209 | S | 37.6 | Very low | 41.9 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | trans | -68 | 90.4 | 173.6 | -50.8 | 0 | 0 | 0 | 0 | 109.3 | A207 P211 | A207-S209 PolarHBondContact O-N 3.44Å; A207-S209 VanDerWaalsContact O-N 3.17Å; S209-P211 WeakPolarHBondContact O-CD 3.48Å |
| 210 | T | 38.1 | Very low | 42.3 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 68% | 0.681 | 76% | 0.759 | S | S | * | * | | | trans | -75.1 | 120.2 | 162.4 | 53.8 | 0 | 0 | 0 | 0 | 107.9 | S208 I212 | S208-T210 VanDerWaalsContact C-N 3.34Å; S208-T210 PolarHBondContact O-N 3.35Å; T210-I212 PolarHBondContact O-N 3.47Å |
| 211 | P | 43.4 | Very low | 42.7 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | -66.8 | 107.6 | 175.8 | 26.3 | -30.8 | 0 | 0 | 0 | 108 | S209 R213 | S209-P211 WeakPolarHBondContact O-CD 3.48Å; P211-R213 VanDerWaalsContact C-N 3.3Å; P211-R213 PolarHBondContact O-N 3.49Å |
| 212 | I | 44.5 | Very low | 42.9 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | trans | -62.2 | 100.5 | 167.3 | -64 | 169.8 | 0 | 0 | 0 | 104.9 | T210 D214 | T210-I212 PolarHBondContact O-N 3.47Å; I212-D214 PolarHBondContact O-N 2.75Å |
| 213 | R | 44.2 | Very low | 43.8 | Very low | 231 Ų | 231 | 135.3 Ų | 135.3 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | | | trans | -62.9 | 96.1 | 165.3 | -93.8 | -178.7 | 173.3 | 162.6 | -2.3 | 105.5 | P211 K215 | P211-R213 VanDerWaalsContact C-N 3.3Å; P211-R213 PolarHBondContact O-N 3.49Å; R213-K215 PolarHBondContact O-N 2.78Å |
| 214 | D | 44.2 | Very low | 45 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | -56.1 | 96.7 | 162 | -71.6 | -29 | 0 | 0 | 0 | 106.8 | I212 V216 | I212-D214 PolarHBondContact O-N 2.75Å; D214-V216 HydrophobicContact CB-CG2 4.5Å; D214-V216 PolarHBondContact O-N 2.69Å |
| 215 | K | 42.3 | Very low | 46.2 | Very low | 190 Ų | 190 | 135.4 Ų | 135.4 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | trans | -68.5 | 81.3 | 165.9 | -88.1 | -173 | 171.8 | -166.2 | 0 | 106.2 | R213 T217 | R213-K215 PolarHBondContact O-N 2.78Å; K215-T217 PolarHBondContact O-N 2.86Å; K215-T217 PolarHBondContact O-OG1 2.91Å |
| 216 | V | 46.4 | Very low | 47.2 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | -60 | 97.3 | 162.1 | -179.5 | 0 | 0 | 0 | 0 | 105.3 | D214 S218 | D214-V216 HydrophobicContact CB-CG2 4.5Å; D214-V216 PolarHBondContact O-N 2.69Å; V216-S218 PolarHBondContact O-N 2.94Å; V216-S218 VanDerWaalsContact O-N 3.11Å |
| 217 | T | 47 | Very low | 48.6 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | trans | -71.1 | 108 | 174.3 | -55.8 | 0 | 0 | 0 | 0 | 105.3 | K215 I219 | K215-T217 PolarHBondContact O-N 2.86Å; K215-T217 PolarHBondContact O-OG1 2.91Å; T217-I219 PolarHBondContact O-N 2.86Å |
| 218 | S | 49.1 | Very low | 50 | Low | 106 Ų | 106 | 136.5 Ų | 136.5 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | -60.8 | 111.6 | 177.6 | 16.5 | 0 | 0 | 0 | 0 | 108.6 | V216 S220 | V216-S218 PolarHBondContact O-N 2.94Å; V216-S218 VanDerWaalsContact O-N 3.11Å; S218-S220 VanDerWaalsContact C-N 3.35Å; S218-S220 PolarHBondContact O-N 2.92Å |
| 219 | I | 51.8 | Low | 51.5 | Low | 140 Ų | 140 | 136 Ų | 136 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | | | trans | -68.6 | 99.8 | 171.8 | -41.7 | 172.8 | 0 | 0 | 0 | 105.4 | T217 F221 | T217-I219 PolarHBondContact O-N 2.86Å; I219-F221 WeakPolarHBondContact O-CD2 3.2Å; I219-F221 PolarHBondContact O-N 3.39Å |
| 220 | S | 49.7 | Very low | 53.3 | Low | 103 Ų | 103 | 140.3 Ų | 140.3 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | trans | -65.2 | 103.6 | 173.1 | 177.1 | 0 | 0 | 0 | 0 | 107.3 | S218 Q222 | S218-S220 VanDerWaalsContact C-N 3.35Å; S218-S220 PolarHBondContact O-N 2.92Å; S220-Q222 VanDerWaalsContact C-N 3.34Å; S220-Q222 PolarHBondContact O-N 3.11Å |
| 221 | F | 54.1 | Low | 55 | Low | 184 Ų | 184 | 146.5 Ų | 146.5 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | | | trans | -62.9 | 99.3 | 169.7 | -66.4 | -84.6 | 0 | 0 | 0 | 107.4 | I219 S223 | I219-F221 WeakPolarHBondContact O-CD2 3.2Å; I219-F221 PolarHBondContact O-N 3.39Å; F221-S223 VanDerWaalsContact C-N 3.32Å; F221-S223 PolarHBondContact O-N 3Å |
| 222 | Q | 51.9 | Low | 56.5 | Low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | -63.5 | 101.1 | 163.2 | -77.3 | -174.6 | -4.7 | 0 | 0 | 106.7 | S220 S224 | S220-Q222 VanDerWaalsContact C-N 3.34Å; S220-Q222 PolarHBondContact O-N 3.11Å; Q222-S224 VanDerWaalsContact C-N 3.31Å; Q222-S224 PolarHBondContact O-N 3.05Å |
| 223 | S | 56.3 | Low | 58 | Low | 102 Ų | 102 | 156.5 Ų | 156.5 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | | | trans | -62.7 | 97.6 | 166.6 | 43.7 | 0 | 0 | 0 | 0 | 107.5 | F221 N225 | F221-S223 VanDerWaalsContact C-N 3.32Å; F221-S223 PolarHBondContact O-N 3Å; S223-N225 PolarHBondContact O-N 3.33Å |
| 224 | S | 61.8 | Low | 59.5 | Low | 95 Ų | 95 | 156 Ų | 156 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | | | trans | -67.4 | 121.1 | 170.1 | 57.8 | 0 | 0 | 0 | 0 | 107.5 | Q222 V226 | Q222-S224 VanDerWaalsContact C-N 3.31Å; Q222-S224 PolarHBondContact O-N 3.05Å; S224-V226 PolarHBondContact O-N 3.07Å |
| 225 | N | 59.5 | Low | 61.1 | Low | 157 Ų | 157 | 160.5 Ų | 160.5 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | -74.3 | 50.6 | 176 | -71.7 | -46.3 | 0 | 0 | 0 | 110.8 | S223 K227 | S223-N225 PolarHBondContact O-N 3.33Å; N225-K227 VanDerWaalsContact C-N 3.25Å; N225-K227 PolarHBondContact O-N 2.72Å |
| 226 | V | 58.6 | Low | 62.6 | Low | 120 Ų | 120 | 159.9 Ų | 159.9 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -72.2 | 90.5 | 177.3 | -171.3 | 0 | 0 | 0 | 0 | 107.3 | S224 A228 | S224-V226 PolarHBondContact O-N 3.07Å; V226-A228 PolarHBondContact O-N 2.83Å |
| 227 | K | 65.3 | Low | 63.3 | Low | 201 Ų | 201 | 162.3 Ų | 162.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -64.7 | 103.3 | 176.9 | -152.9 | 164.5 | -175.5 | 172.7 | 0 | 106.7 | N225 A229 | N225-K227 VanDerWaalsContact C-N 3.25Å; N225-K227 PolarHBondContact O-N 2.72Å; K227-A229 PolarHBondContact O-N 3.35Å |
| 228 | A | 66.6 | Low | 63.9 | Low | 90 Ų | 90 | 164.7 Ų | 164.7 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | | | trans | -52.7 | 124.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V226 K230 | V226-A228 PolarHBondContact O-N 2.83Å; A228-K230 PolarHBondContact O-N 3.14Å; A228-K230 VanDerWaalsContact O-N 3.1Å |
| 229 | A | 68.8 | Low | 64.5 | Low | 97 Ų | 97 | 167.3 Ų | 167.3 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | trans | -61 | 115.1 | 179 | 0 | 0 | 0 | 0 | 0 | 109.4 | K227 R231 | K227-A229 PolarHBondContact O-N 3.35Å; A229-R231 PolarHBondContact O-N 2.64Å; A229-R231 VanDerWaalsContact O-N 3.12Å |
| 230 | K | 75.8 | Confident | 64.9 | Low | 200 Ų | 200 | 168 Ų | 168 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | | | trans | -72.7 | 104.6 | 179 | -172.9 | 167.9 | -178.3 | 169.6 | 0 | 109.2 | A228 R232 | A228-K230 PolarHBondContact O-N 3.14Å; A228-K230 VanDerWaalsContact O-N 3.1Å; K230-R232 PolarHBondContact O-N 2.91Å |
| 231 | R | 72.9 | Confident | 64.9 | Low | 242 Ų | 242 | 168.4 Ų | 168.4 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | | | trans | -68.7 | 112.9 | 171 | -79.8 | 176.1 | 77.1 | 175.8 | 4.1 | 109.9 | A229 R233 | A229-R231 PolarHBondContact O-N 2.64Å; A229-R231 VanDerWaalsContact O-N 3.12Å; R231-R233 PolarHBondContact O-N 2.99Å |
| 232 | R | 76.6 | Confident | 64.7 | Low | 233 Ų | 233 | 164.9 Ų | 164.9 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -74.4 | 110.5 | 170.9 | 179.9 | 178 | 163.5 | -171.4 | -3.5 | 108.8 | K230 R234 | K230-R232 PolarHBondContact O-N 2.91Å; R232-R234 PolarHBondContact O-N 3Å |
| 233 | R | 74.5 | Confident | 64.3 | Low | 234 Ų | 234 | 163.3 Ų | 163.3 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 123.3 | 166.7 | -92.7 | -175.9 | 158.6 | -166.9 | -5.5 | 109 | R231 R235 | R231-R233 PolarHBondContact O-N 2.99Å; R233-R235 PolarHBondContact O-N 3.15Å |
| 234 | R | 75.9 | Confident | 63.9 | Low | 222 Ų | 222 | 162.6 Ų | 162.6 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 128.8 | 168.5 | -67.1 | -179.1 | 73.1 | 173.3 | 1.9 | 107.9 | R232 | R232-R234 PolarHBondContact O-N 3Š|
| 235 | R | 78.2 | Confident | 63.1 | Low | 229 Ų | 229 | 163.9 Ų | 163.9 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 126.2 | 165.3 | -65.4 | -175.4 | 179.1 | -174.4 | -1.3 | 106.4 | R233 H237 | R233-R235 PolarHBondContact O-N 3.15Å; R235-H237 PolarHBondContact O-N 2.88Å |
| 236 | H | 73.3 | Confident | 62.3 | Low | 176 Ų | 176 | 161.7 Ų | 161.7 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 117.3 | 166.5 | -69.8 | -93.6 | 0 | 0 | 0 | 106.4 | Q238 | H236-Q238 PolarHBondContact O-N 3Š|
| 237 | H | 61.4 | Low | 61.3 | Low | 177 Ų | 177 | 159.8 Ų | 159.8 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | | | trans | -68 | 111.6 | 164.6 | -72.8 | -76 | 0 | 0 | 0 | 106 | R235 L239 | R235-H237 PolarHBondContact O-N 2.88Å; H237-L239 PolarHBondContact O-N 2.91Å |
| 238 | Q | 60.3 | Low | 60 | Low | 169 Ų | 169 | 158.5 Ų | 158.5 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -58.6 | 122.6 | 159.4 | -77 | -78.1 | 41.4 | 0 | 0 | 105.4 | H236 D240 | H236-Q238 PolarHBondContact O-N 3Å; Q238-D240 PolarHBondContact O-N 2.82Å |
| 239 | L | 61.1 | Low | 59 | Low | 161 Ų | 161 | 158.5 Ų | 158.5 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | -56.7 | 114.3 | 164.6 | -81.7 | 137.1 | 0 | 0 | 0 | 104.9 | H237 S241 | H237-L239 PolarHBondContact O-N 2.91Å; L239-S241 VanDerWaalsContact C-N 3.31Å; L239-S241 PolarHBondContact O-N 2.99Å |
| 240 | D | 59.7 | Low | 57.4 | Low | 155 Ų | 155 | 160.6 Ų | 160.6 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | trans | -54.4 | 105.5 | 171.2 | -69.5 | -45.9 | 0 | 0 | 0 | 105.8 | Q238 S242 | Q238-D240 PolarHBondContact O-N 2.82Å; D240-S242 PolarHBondContact O-N 3.08Å |
| 241 | S | 49.6 | Very low | 55.9 | Low | 110 Ų | 110 | 157 Ų | 157 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -56.4 | 101.8 | 170.3 | -72.2 | 0 | 0 | 0 | 0 | 105 | L239 N243 | L239-S241 VanDerWaalsContact C-N 3.31Å; L239-S241 PolarHBondContact O-N 2.99Å; S241-N243 PolarHBondContact O-N 2.85Å |
| 242 | S | 50.8 | Low | 54.5 | Low | 110 Ų | 110 | 150.1 Ų | 150.1 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -53.6 | 100.8 | 165.7 | 38.1 | 0 | 0 | 0 | 0 | 105.2 | D240 S244 | D240-S242 PolarHBondContact O-N 3.08Å; S242-S244 PolarHBondContact O-N 3.23Å |
| 243 | N | 44.1 | Very low | 53 | Low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | trans | -54.4 | 92.6 | 162.3 | -92.7 | -29.1 | 0 | 0 | 0 | 104.6 | S241 V245 | S241-N243 PolarHBondContact O-N 2.85Å; N243-V245 PolarHBondContact O-N 2.91Å |
| 244 | S | 46.9 | Very low | 51.3 | Low | 88 Ų | 88 | 143.9 Ų | 143.9 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | | | trans | -62.9 | 87 | 154.3 | 55.8 | 0 | 0 | 0 | 0 | 103.7 | S242 N246 | S242-S244 PolarHBondContact O-N 3.23Å; S244-N246 PolarHBondContact O-N 3.29Å |
| 245 | V | 44.5 | Very low | 49.7 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | | | trans | -55.9 | 93.1 | 154.7 | 177.4 | 0 | 0 | 0 | 0 | 102.7 | N243 A247 | N243-V245 PolarHBondContact O-N 2.91Å; V245-A247 HydrophobicContact CG1-CB 4.41Å; V245-A247 PolarHBondContact O-N 2.83Å |
| 246 | N | 43.2 | Very low | 48.1 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | | | trans | -65.1 | 75.6 | 164.2 | -72.5 | -31.9 | 0 | 0 | 0 | 104.7 | S244 F248 | S244-N246 PolarHBondContact O-N 3.29Å; N246-F248 HydrophobicContact CB-CD2 3.8Å; N246-F248 HydrophobicContact CB-CE2 3.61Å; N246-F248 HydrophobicContact CB-CZ 4.4Å; N246-F248 WeakPolarHBondContact O-CD2 3.28Å; N246-F248 PolarHBondContact O-N 3.19Å |
| 247 | A | 38.2 | Very low | 46.6 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | | | trans | -65.1 | 81.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 103.8 | V245 P249 | V245-A247 HydrophobicContact CG1-CB 4.41Å; V245-A247 PolarHBondContact O-N 2.83Å; A247-P249 WeakPolarHBondContact O-CD 3.47Å; A247-P249 VanDerWaalsContact O-N 3.08Å |
| 248 | F | 38 | Very low | 45.9 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | | | trans | -56.4 | 111.5 | 165.4 | -79.4 | -86.4 | 0 | 0 | 0 | 105.8 | N246 N250 | N246-F248 HydrophobicContact CB-CD2 3.8Å; N246-F248 HydrophobicContact CB-CE2 3.61Å; N246-F248 HydrophobicContact CB-CZ 4.4Å; N246-F248 WeakPolarHBondContact O-CD2 3.28Å; N246-F248 PolarHBondContact O-N 3.19Å; F248-N250 PolarHBondContact O-N 3.44Å |
| 249 | P | 44.6 | Very low | 45.4 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 59% | 0.591 | 71% | 0.707 | S | S | * | * | | | trans | -62.3 | 123.5 | 161.2 | 27.5 | -29 | 0 | 0 | 0 | 105.5 | A247 L251 | A247-P249 WeakPolarHBondContact O-CD 3.47Å; A247-P249 VanDerWaalsContact O-N 3.08Å; P249-L251 HydrophobicContact CG-CD1 4.03Å; P249-L251 HydrophobicContact CG-CG 4.37Å; P249-L251 PolarHBondContact O-N 3.48Å |
| 250 | N | 36.3 | Very low | 44.8 | Very low | 140 Ų | 140 | 126.6 Ų | 126.6 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | | | trans | -57.9 | 89.3 | 176 | -165.8 | -24.5 | 0 | 0 | 0 | 108.3 | F248 T252 | F248-N250 PolarHBondContact O-N 3.44Å; N250-T252 PolarHBondContact O-N 2.95Å; N250-T252 PolarHBondContact OD1-OG1 3.05Å |
| 251 | L | 44.6 | Very low | 44.2 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 66% | 0.66 | 70% | 0.697 | S | S | * | * | | | trans | -87.1 | 17.3 | -174.1 | -90.3 | 156.4 | 0 | 0 | 0 | 112.2 | P249 D253 R254 | P249-L251 HydrophobicContact CG-CD1 4.03Å; P249-L251 HydrophobicContact CG-CG 4.37Å; P249-L251 PolarHBondContact O-N 3.48Å; L251-D253 PolarHBondContact O-N 3.49Å; L251-R254 PolarHBondContact O-N 2.91Å |
| 252 | T | 43.5 | Very low | 44 | Very low | 96 Ų | 96 | 128 Ų | 128 | 59% | 0.589 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -14.3 | -177.1 | -45.5 | 0 | 0 | 0 | 0 | 113 | N250 | N250-T252 PolarHBondContact O-N 2.95Å; N250-T252 PolarHBondContact OD1-OG1 3.05Å |
| 253 | D | 45 | Very low | 43.8 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 83% | 0.829 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 6.9 | -177.2 | -68.5 | -17.9 | 0 | 0 | 0 | 115.9 | L251 | L251-D253 PolarHBondContact O-N 3.49Š|
| 254 | R | 38.1 | Very low | 43.8 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 69% | 0.687 | 70% | 0.7 | S | S | * | * | | | trans | -133.5 | 63.2 | 173.2 | -82.2 | -179.3 | 77.1 | -171.2 | 3.7 | 113.1 | L251 E256 | L251-R254 PolarHBondContact O-N 2.91Å; R254-E256 PolarHBondContact O-N 3.21Å; R254-E256 VanDerWaalsContact O-N 3.16Å |
| 255 | I | 42.3 | Very low | 43.6 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | | | trans | -79.3 | 34 | 158.8 | -51.9 | 171.4 | 0 | 0 | 0 | 109.7 | N257 | I255-N257 PolarHBondContact O-N 2.82Š|
| 256 | E | 44.5 | Very low | 43.7 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 67% | 0.668 | 71% | 0.712 | S | S | * | * | | | trans | -90.7 | 95.5 | 173.2 | -153.5 | 164.7 | -151.7 | 0 | 0 | 108.5 | R254 H258 | R254-E256 PolarHBondContact O-N 3.21Å; R254-E256 VanDerWaalsContact O-N 3.16Å; E256-H258 PolarHBondContact O-N 2.95Å |
| 257 | N | 42.1 | Very low | 43.7 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | | | trans | -26.1 | 99.6 | 169.6 | -65.8 | -53.1 | 0 | 0 | 0 | 114.3 | I255 | I255-N257 PolarHBondContact O-N 2.82Š|
| 258 | H | 46.9 | Very low | 44 | Very low | 125 Ų | 125 | 138 Ų | 138 | 58% | 0.579 | 73% | 0.729 | S | S | * | * | | | trans | -125.3 | 65.1 | 159.1 | -56.1 | -39.3 | 0 | 0 | 0 | 108.4 | E256 S260 | E256-H258 PolarHBondContact O-N 2.95Å; H258-S260 PolarHBondContact O-N 3.27Å |
| 259 | I | 49.9 | Very low | 44.2 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | | | trans | -80.8 | 18.4 | 172.2 | -55.8 | 167.2 | 0 | 0 | 0 | 110 | | |
| 260 | S | 47.8 | Very low | 44.2 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -85.2 | -12.4 | -170 | -48.4 | 0 | 0 | 0 | 0 | 115.4 | H258 | H258-S260 PolarHBondContact O-N 3.27Š|
| 261 | D | 47.6 | Very low | 44.6 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | | | trans | -120.5 | 14.9 | -166.6 | -63.1 | -21.3 | 0 | 0 | 0 | 114.9 | D263 | D261-D263 VanDerWaalsContact C-N 3.34Å; D261-D263 PolarHBondContact O-N 2.67Å |
| 262 | I | 45.9 | Very low | 44.5 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | | | trans | -93.9 | 62.7 | 176.5 | -44.4 | 179.7 | 0 | 0 | 0 | 110.4 | | |
| 263 | D | 45.2 | Very low | 44.4 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | | | trans | -122 | 54.3 | 166.6 | -81.3 | -26.2 | 0 | 0 | 0 | 110.2 | D261 | D261-D263 VanDerWaalsContact C-N 3.34Å; D261-D263 PolarHBondContact O-N 2.67Å |
| 264 | F | 44.5 | Very low | 44.6 | Very low | 198 Ų | 198 | 131.1 Ų | 131.1 | 87% | 0.868 | 72% | 0.723 | S | S | * | * | | | trans | -144 | 83.9 | 158.1 | -106.5 | -86.3 | 0 | 0 | 0 | 108.7 | | |
| 265 | L | 43 | Very low | 45 | Very low | 163 Ų | 163 | 129.3 Ų | 129.3 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -56 | 125.7 | 158.3 | -89.8 | 126.4 | 0 | 0 | 0 | 107.4 | D267 | L265-D267 PolarHBondContact O-N 2.98Å; L265-D267 VanDerWaalsContact O-N 3.14Å |
| 266 | P | 47.7 | Very low | 45.3 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 120.3 | 174.3 | 24.7 | -30.8 | 0 | 0 | 0 | 108 | A268 | P266-A268 PolarHBondContact O-N 3.32Š|
| 267 | D | 43.1 | Very low | 45.7 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 116.2 | 175.1 | -139.5 | -4.4 | 0 | 0 | 0 | 107.8 | L265 S269 | L265-D267 PolarHBondContact O-N 2.98Å; L265-D267 VanDerWaalsContact O-N 3.14Å; D267-S269 PolarHBondContact O-N 3.48Å |
| 268 | A | 43.1 | Very low | 46.1 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 85% | 0.851 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -71.7 | 26.3 | -169 | 0 | 0 | 0 | 0 | 0 | 113.5 | P266 | P266-A268 PolarHBondContact O-N 3.32Š|
| 269 | S | 41.9 | Very low | 46.4 | Very low | 84 Ų | 84 | 130 Ų | 130 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | | | trans | -129.4 | 43.1 | -166.2 | 72.2 | 0 | 0 | 0 | 0 | 113.6 | D267 | D267-S269 PolarHBondContact O-N 3.48Š|
| 270 | V | 44.9 | Very low | 46.7 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 76% | 0.758 | 74% | 0.74 | S | S | * | * | | | trans | -143 | 53.1 | 158.7 | -153.8 | 0 | 0 | 0 | 0 | 110.7 | C272 | V270-C272 HydrophobicContact CG1-CB 4.41Å; V270-C272 PolarHBondContact O-N 2.78Å |
| 271 | V | 45.2 | Very low | 47 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | | | trans | -72.6 | 81.4 | 149.8 | -176.8 | 0 | 0 | 0 | 0 | 105.1 | G273 | V271-G273 PolarHBondContact O-N 3.2Š|
| 272 | C | 42.5 | Very low | 47.5 | Very low | 95 Ų | 95 | 133 Ų | 133 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | | | trans | -54 | 110 | 165.7 | -175.9 | 0 | 0 | 0 | 0 | 105.4 | V270 M274 | V270-C272 HydrophobicContact CG1-CB 4.41Å; V270-C272 PolarHBondContact O-N 2.78Å; C272-M274 PolarHBondContact O-N 3.34Å |
| 273 | G | 41 | Very low | 48 | Very low | 49 Ų | 49 | 131.6 Ų | 131.6 | 51% | 0.505 | 73% | 0.732 | S | S | . | * | | | trans | -49.7 | 107 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | V271 D275 | V271-G273 PolarHBondContact O-N 3.2Å; G273-D275 PolarHBondContact O-N 2.91Å |
| 274 | M | 49 | Very low | 48.6 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | | | trans | -70 | 97 | 163.3 | -79.8 | -71 | -162.9 | 0 | 0 | 103.7 | C272 Y276 | C272-M274 PolarHBondContact O-N 3.34Å; M274-Y276 HydrophobicContact CB-CD2 4.3Å; M274-Y276 HydrophobicContact CB-CE2 3.82Å; M274-Y276 WeakPolarHBondContact O-CD2 3.44Å; M274-Y276 PolarHBondContact O-N 3.33Å |
| 275 | D | 46.5 | Very low | 49.4 | Very low | 143 Ų | 143 | 132 Ų | 132 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | | | trans | -61.4 | 88.1 | 168.4 | -57.3 | -28.8 | 0 | 0 | 0 | 106.1 | G273 V277 | G273-D275 PolarHBondContact O-N 2.91Å; D275-V277 HydrophobicContact CB-CG2 4.49Å; D275-V277 PolarHBondContact O-N 3.45Å |
| 276 | Y | 50.1 | Low | 50.3 | Low | 196 Ų | 196 | 129.6 Ų | 129.6 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | | | trans | -67.7 | 82.9 | 167.3 | -62.9 | -80.5 | 0 | 0 | 0 | 106 | M274 T278 | M274-Y276 HydrophobicContact CB-CD2 4.3Å; M274-Y276 HydrophobicContact CB-CE2 3.82Å; M274-Y276 WeakPolarHBondContact O-CD2 3.44Å; M274-Y276 PolarHBondContact O-N 3.33Å; Y276-T278 PolarHBondContact O-N 2.84Å |
| 277 | V | 52.8 | Low | 50.6 | Low | 113 Ų | 113 | 130.8 Ų | 130.8 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | | | trans | -66 | 85.4 | 161.1 | -176.6 | 0 | 0 | 0 | 0 | 104.6 | D275 N279 | D275-V277 HydrophobicContact CB-CG2 4.49Å; D275-V277 PolarHBondContact O-N 3.45Å; V277-N279 VanDerWaalsContact C-N 3.33Å; V277-N279 PolarHBondContact O-N 3.11Å |
| 278 | T | 50.2 | Low | 51.2 | Low | 110 Ų | 110 | 133.1 Ų | 133.1 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | | | trans | -61.9 | 105.5 | 163.7 | 41.7 | 0 | 0 | 0 | 0 | 105 | Y276 Y280 | Y276-T278 PolarHBondContact O-N 2.84Å; T278-Y280 PolarHBondContact O-N 3.04Å |
| 279 | N | 52.2 | Low | 51.8 | Low | 135 Ų | 135 | 134 Ų | 134 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | | | trans | -61.7 | 83.3 | 164.5 | -66.4 | -29 | 0 | 0 | 0 | 106.3 | V277 E281 | V277-N279 VanDerWaalsContact C-N 3.33Å; V277-N279 PolarHBondContact O-N 3.11Å; N279-E281 PolarHBondContact O-N 3.32Å |
| 280 | Y | 56 | Low | 52.3 | Low | 203 Ų | 203 | 137.2 Ų | 137.2 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | | | trans | -73.1 | 87.6 | 169.6 | -151.4 | -90.3 | 0 | 0 | 0 | 104.7 | T278 A282 | T278-Y280 PolarHBondContact O-N 3.04Å; Y280-A282 HydrophobicContact CD1-CB 4.44Å; Y280-A282 PolarHBondContact O-N 2.79Å |
| 281 | E | 55.4 | Low | 52.7 | Low | 159 Ų | 159 | 138.5 Ų | 138.5 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | | | trans | -64.8 | 88.7 | 170.6 | -136.6 | 117.9 | -146.7 | 0 | 0 | 105.9 | N279 D283 | N279-E281 PolarHBondContact O-N 3.32Å; E281-D283 PolarHBondContact O-N 3.05Å |
| 282 | A | 57.2 | Low | 52.9 | Low | 82 Ų | 82 | 139.7 Ų | 139.7 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | | | trans | -75.4 | 61.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y280 | Y280-A282 HydrophobicContact CD1-CB 4.44Å; Y280-A282 PolarHBondContact O-N 2.79Å |
| 283 | D | 56.1 | Low | 53.1 | Low | 115 Ų | 115 | 140.5 Ų | 140.5 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | | | trans | -112 | 99.5 | 176.2 | -87.4 | -18 | 0 | 0 | 0 | 107.7 | E281 | E281-D283 PolarHBondContact O-N 3.05Š|
| 284 | H | 58.4 | Low | 53.4 | Low | 164 Ų | 164 | 143 Ų | 143 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | | | | 172.2 | 79.7 | 122.2 | -70.7 | -25.6 | 0 | 0 | 0 | 106.7 | D286 | H284-D286 PolarHBondContact O-N 2.67Š|
| 285 | E | 60.6 | Low | 53.2 | Low | 190 Ų | 190 | 145.3 Ų | 145.3 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | | | trans | -63.2 | 97.1 | 155.9 | -69.6 | -68.6 | 141 | 0 | 0 | 105.4 | N287 | E285-N287 VanDerWaalsContact C-N 3.31Å; E285-N287 PolarHBondContact O-N 3.47Å |
| 286 | D | 62 | Low | 53.2 | Low | 113 Ų | 113 | 142.4 Ų | 142.4 | 60% | 0.604 | 73% | 0.726 | S | S | * | * | | | trans | -54.8 | 103.8 | 168.2 | -76.5 | -36.7 | 0 | 0 | 0 | 106 | H284 Y288 | H284-D286 PolarHBondContact O-N 2.67Å; D286-Y288 HydrophobicContact CB-CD2 4.25Å; D286-Y288 HydrophobicContact CB-CE2 3.88Å; D286-Y288 WeakPolarHBondContact O-CD2 3.48Å; D286-Y288 PolarHBondContact O-N 2.89Å |
| 287 | N | 54.4 | Low | 52.8 | Low | 140 Ų | 140 | 141.3 Ų | 141.3 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | | | trans | -64.8 | 83.5 | 173.2 | -177.9 | 11.2 | 0 | 0 | 0 | 106.7 | E285 N289 | E285-N287 VanDerWaalsContact C-N 3.31Å; E285-N287 PolarHBondContact O-N 3.47Å; N287-N289 PolarHBondContact O-N 2.79Å |
| 288 | Y | 56.1 | Low | 52.7 | Low | 191 Ų | 191 | 144 Ų | 144 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | | | trans | -61.4 | 91.8 | 162.7 | -70.1 | -79.6 | 0 | 0 | 0 | 104.7 | D286 E290 | D286-Y288 HydrophobicContact CB-CD2 4.25Å; D286-Y288 HydrophobicContact CB-CE2 3.88Å; D286-Y288 WeakPolarHBondContact O-CD2 3.48Å; D286-Y288 PolarHBondContact O-N 2.89Å; Y288-E290 PolarHBondContact O-N 2.99Å |
| 289 | N | 54.6 | Low | 52.4 | Low | 121 Ų | 121 | 145 Ų | 145 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | | | trans | -57.3 | 96.8 | 168.1 | -166.8 | 61.2 | 0 | 0 | 0 | 104.6 | N287 Q291 | N287-N289 PolarHBondContact O-N 2.79Å; N289-Q291 PolarHBondContact O-N 2.81Å |
| 290 | E | 52.9 | Low | 51.9 | Low | 153 Ų | 153 | 144.4 Ų | 144.4 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | | | trans | -55.3 | 90 | 170.2 | -76.9 | -176.9 | 162.2 | 0 | 0 | 105.3 | Y288 H292 | Y288-E290 PolarHBondContact O-N 2.99Å; E290-H292 PolarHBondContact O-N 3.12Å |
| 291 | Q | 53 | Low | 51.5 | Low | 152 Ų | 152 | 142.3 Ų | 142.3 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | | | trans | -65.5 | 96.1 | 164.4 | -72.9 | -165 | -25.1 | 0 | 0 | 103.5 | N289 T293 | N289-Q291 PolarHBondContact O-N 2.81Å; Q291-T293 HydrophobicContact CB-CG2 4.49Å; Q291-T293 PolarHBondContact O-N 3.07Å |
| 292 | H | 49.6 | Very low | 50.9 | Low | 165 Ų | 165 | 139.3 Ų | 139.3 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | | | trans | -56 | 83 | 152.3 | -61.3 | -65.3 | 0 | 0 | 0 | 105.8 | E290 S294 | E290-H292 PolarHBondContact O-N 3.12Å; H292-S294 PolarHBondContact O-N 2.85Å |
| 293 | T | 46.7 | Very low | 50.4 | Low | 113 Ų | 113 | 141.2 Ų | 141.2 | 69% | 0.693 | 75% | 0.751 | S | S | * | * | | | trans | -63 | 97.9 | 160.3 | 45.9 | 0 | 0 | 0 | 0 | 103.8 | Q291 E295 | Q291-T293 HydrophobicContact CB-CG2 4.49Å; Q291-T293 PolarHBondContact O-N 3.07Å; T293-E295 PolarHBondContact O-N 2.73Å |
| 294 | S | 47.7 | Very low | 49.7 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | trans | -33 | 125.2 | 165.7 | 49.1 | 0 | 0 | 0 | 0 | 107.9 | H292 A296 | H292-S294 PolarHBondContact O-N 2.85Å; S294-A296 PolarHBondContact O-N 3.07Å |
| 295 | E | 44.2 | Very low | 49.2 | Very low | 194 Ų | 194 | 145 Ų | 145 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | | | trans | -43 | 95.4 | 168.1 | -68.8 | 174.6 | 142.8 | 0 | 0 | 107.5 | T293 Q297 | T293-E295 PolarHBondContact O-N 2.73Å; E295-Q297 PolarHBondContact O-N 3.23Å |
| 296 | A | 46.8 | Very low | 48.4 | Very low | 82 Ų | 82 | 142.6 Ų | 142.6 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | trans | -65.3 | 111.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 102.6 | S294 L298 | S294-A296 PolarHBondContact O-N 3.07Å; A296-L298 PolarHBondContact O-N 2.88Å |
| 297 | Q | 41.7 | Very low | 47.4 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | -35 | 120.8 | 171.6 | -75.4 | 176.7 | -67 | 0 | 0 | 107.3 | E295 D299 | E295-Q297 PolarHBondContact O-N 3.23Å; Q297-D299 PolarHBondContact O-N 2.98Å |
| 298 | L | 51 | Low | 46.8 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | | | trans | -63.3 | 80.6 | 168.3 | -68.1 | 171.6 | 0 | 0 | 0 | 105.9 | A296 S300 | A296-L298 PolarHBondContact O-N 2.88Å; L298-S300 PolarHBondContact O-N 3.17Å; L298-S300 VanDerWaalsContact O-N 3.12Å |
| 299 | D | 44.5 | Very low | 46.2 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | -53 | 122.5 | 164.2 | -95.6 | -23.4 | 0 | 0 | 0 | 105 | Q297 I301 | Q297-D299 PolarHBondContact O-N 2.98Å; D299-I301 PolarHBondContact O-N 2.88Å |
| 300 | S | 41.5 | Very low | 45.7 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | -62.6 | 87.9 | -175.1 | -62.8 | 0 | 0 | 0 | 0 | 108.3 | L298 S302 | L298-S300 PolarHBondContact O-N 3.17Å; L298-S300 VanDerWaalsContact O-N 3.12Å; S300-S302 VanDerWaalsContact C-N 3.34Å; S300-S302 PolarHBondContact O-N 3.16Å |
| 301 | I | 46.9 | Very low | 45.3 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -68.2 | 103.9 | 170.9 | -58.2 | 163.7 | 0 | 0 | 0 | 104.6 | D299 S303 | D299-I301 PolarHBondContact O-N 2.88Å; I301-S303 PolarHBondContact O-N 2.94Å |
| 302 | S | 42.9 | Very low | 44.8 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | trans | -41.7 | 127.9 | 170.6 | 58.7 | 0 | 0 | 0 | 0 | 108.8 | S300 D304 | S300-S302 VanDerWaalsContact C-N 3.34Å; S300-S302 PolarHBondContact O-N 3.16Å; S302-D304 PolarHBondContact O-N 2.73Å |
| 303 | S | 46.3 | Very low | 44.5 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | -60.2 | 89.3 | 175.2 | -53.6 | 0 | 0 | 0 | 0 | 109.3 | I301 R305 | I301-S303 PolarHBondContact O-N 2.94Å; S303-R305 PolarHBondContact O-N 3.26Å; S303-R305 VanDerWaalsContact O-N 3.12Å |
| 304 | D | 41.3 | Very low | 44.3 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | -68.1 | 111.9 | 169.9 | -161.5 | -11.5 | 0 | 0 | 0 | 106.7 | S302 N306 | S302-D304 PolarHBondContact O-N 2.73Å; D304-N306 PolarHBondContact O-N 3.1Å |
| 305 | R | 48.9 | Very low | 44.2 | Very low | 239 Ų | 239 | 140.7 Ų | 140.7 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 3.7 | -168.2 | -146.1 | 177.2 | -172.9 | 172.8 | 1.6 | 112.7 | S303 | S303-R305 PolarHBondContact O-N 3.26Å; S303-R305 VanDerWaalsContact O-N 3.12Å |
| 306 | N | 43.3 | Very low | 44.1 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | 6.3 | -167.9 | -66.9 | -23.8 | 0 | 0 | 0 | 115 | D304 E308 | D304-N306 PolarHBondContact O-N 3.1Å; N306-E308 PolarHBondContact O-N 2.94Å |
| 307 | S | 40.9 | Very low | 43.9 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -76.1 | 94.1 | 170.2 | 75 | 0 | 0 | 0 | 0 | 109.7 | K309 | S307-K309 PolarHBondContact O-N 2.84Š|
| 308 | E | 42.9 | Very low | 43.9 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | trans | -35.5 | 121.2 | 165.6 | -163.7 | 170.1 | -178.8 | 0 | 0 | 110.7 | N306 V310 | N306-E308 PolarHBondContact O-N 2.94Å; E308-V310 PolarHBondContact O-N 2.98Å |
| 309 | K | 42.3 | Very low | 43.5 | Very low | 198 Ų | 198 | 137 Ų | 137 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | -59.8 | 97.2 | -176.5 | -76.1 | 172.6 | 174 | -174.2 | 0 | 109.4 | S307 P311 | S307-K309 PolarHBondContact O-N 2.84Å; K309-P311 VanDerWaalsContact O-CD 3.26Å; K309-P311 WeakPolarHBondContact O-CD 3.21Å |
| 310 | V | 44.3 | Very low | 43.4 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | | | trans | -61.6 | 118.5 | 162.4 | -179.3 | 0 | 0 | 0 | 0 | 106.4 | E308 C312 | E308-V310 PolarHBondContact O-N 2.98Å; V310-C312 PolarHBondContact O-N 3.29Å; V310-C312 VanDerWaalsContact O-N 3.1Å |
| 311 | P | 44.3 | Very low | 43.4 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | | | trans | -61.8 | 117.9 | 179.3 | -18.7 | 30.9 | 0 | 0 | 0 | 108.8 | K309 I313 | K309-P311 VanDerWaalsContact O-CD 3.26Å; K309-P311 WeakPolarHBondContact O-CD 3.21Å; P311-I313 PolarHBondContact O-N 3.37Å |
| 312 | C | 42.5 | Very low | 43.2 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | | | trans | -57.9 | 110.5 | 172.1 | -60.2 | 0 | 0 | 0 | 0 | 108.4 | V310 N314 | V310-C312 PolarHBondContact O-N 3.29Å; V310-C312 VanDerWaalsContact O-N 3.1Å; C312-N314 PolarHBondContact O-N 2.95Å |
| 313 | I | 43 | Very low | 43.1 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | | | trans | -66.7 | 21.2 | 174.7 | 47.1 | 168.7 | 0 | 0 | 0 | 113.7 | P311 S315 L316 | P311-I313 PolarHBondContact O-N 3.37Å; I313-S315 PolarHBondContact O-N 3.12Å; I313-L316 PolarHBondContact O-N 3.04Å |
| 314 | N | 43.4 | Very low | 42.9 | Very low | 144 Ų | 144 | 142 Ų | 142 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 1.3 | 177.3 | -73.3 | 1.6 | 0 | 0 | 0 | 113.4 | C312 | C312-N314 PolarHBondContact O-N 2.95Š|
| 315 | S | 45.1 | Very low | 43 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -3.7 | 171.3 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | I313 F317 | I313-S315 PolarHBondContact O-N 3.12Å; S315-F317 VanDerWaalsContact C-N 3.32Å; S315-F317 PolarHBondContact O-N 3.27Å |
| 316 | L | 41.6 | Very low | 42.7 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -81.5 | -9.5 | -177.3 | -137.2 | 79.6 | 0 | 0 | 0 | 114.7 | I313 | I313-L316 PolarHBondContact O-N 3.04Š|
| 317 | F | 43.1 | Very low | 42.5 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -116.1 | 103.2 | 171.1 | -63.5 | -75.7 | 0 | 0 | 0 | 108 | S315 S319 | S315-F317 VanDerWaalsContact C-N 3.32Å; S315-F317 PolarHBondContact O-N 3.27Å; F317-S319 VanDerWaalsContact C-N 3.34Å; F317-S319 PolarHBondContact O-N 3.17Å |
| 318 | P | 42.8 | Very low | 42.8 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | | | trans | -54.5 | 110.1 | 157.5 | -12.5 | 26.1 | 0 | 0 | 0 | 105.4 | S320 | P318-S320 PolarHBondContact O-N 3.35Š|
| 319 | S | 42.1 | Very low | 42.9 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | | | trans | -68.8 | 59.7 | 160.1 | -77 | 0 | 0 | 0 | 0 | 107.7 | F317 R321 | F317-S319 VanDerWaalsContact C-N 3.34Å; F317-S319 PolarHBondContact O-N 3.17Å; S319-R321 PolarHBondContact O-N 3Å |
| 320 | S | 42.7 | Very low | 43.1 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 56% | 0.559 | 72% | 0.718 | S | S | * | * | | | trans | -74.2 | 85.9 | 161.6 | 46.8 | 0 | 0 | 0 | 0 | 106 | P318 E322 | P318-S320 PolarHBondContact O-N 3.35Å; S320-E322 PolarHBondContact O-N 3.26Å |
| 321 | R | 41.5 | Very low | 43.3 | Very low | 238 Ų | 238 | 129.4 Ų | 129.4 | 90% | 0.898 | 72% | 0.716 | S | S | * | * | | | trans | -60.8 | 65 | 142.9 | -104.6 | 176 | 159.5 | 170.1 | -5.6 | 107.2 | S319 T323 | S319-R321 PolarHBondContact O-N 3Å; R321-T323 PolarHBondContact O-N 3.35Å |
| 322 | E | 41.4 | Very low | 43.2 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 62% | 0.621 | 72% | 0.722 | S | S | * | * | | | trans | -72 | 89.4 | 163 | -93.7 | -177.7 | 159 | 0 | 0 | 105.7 | S320 F324 | S320-E322 PolarHBondContact O-N 3.26Å; E322-F324 HydrophobicContact CB-CD2 4.37Å; E322-F324 HydrophobicContact CB-CE2 3.9Å; E322-F324 HydrophobicContact CB-CZ 4.18Å; E322-F324 WeakPolarHBondContact O-CD2 3.26Å; E322-F324 PolarHBondContact O-N 3.45Å |
| 323 | T | 41.5 | Very low | 43.2 | Very low | 120 Ų | 120 | 139 Ų | 139 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | trans | -70.9 | 93.1 | 167.4 | -45 | 0 | 0 | 0 | 0 | 104.6 | R321 S325 | R321-T323 PolarHBondContact O-N 3.35Å; T323-S325 PolarHBondContact O-N 3.32Å |
| 324 | F | 42.8 | Very low | 43.2 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | | | trans | -66 | 88 | 167.4 | -68.3 | -80.5 | 0 | 0 | 0 | 107.2 | E322 T326 | E322-F324 HydrophobicContact CB-CD2 4.37Å; E322-F324 HydrophobicContact CB-CE2 3.9Å; E322-F324 HydrophobicContact CB-CZ 4.18Å; E322-F324 WeakPolarHBondContact O-CD2 3.26Å; E322-F324 PolarHBondContact O-N 3.45Å; F324-T326 VanDerWaalsContact C-N 3.26Å; F324-T326 PolarHBondContact O-N 3.36Å; F324-T326 VanDerWaalsContact O-N 3.08Å |
| 325 | S | 41.9 | Very low | 43.2 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | trans | -76.8 | 86.9 | 166.1 | -164.7 | 0 | 0 | 0 | 0 | 106.3 | T323 N327 | T323-S325 PolarHBondContact O-N 3.32Å; S325-N327 PolarHBondContact O-N 3.05Å |
| 326 | T | 42.2 | Very low | 43.1 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | | | trans | -67.6 | 103 | 166.3 | 34.4 | 0 | 0 | 0 | 0 | 107.2 | F324 L328 | F324-T326 VanDerWaalsContact C-N 3.26Å; F324-T326 PolarHBondContact O-N 3.36Å; F324-T326 VanDerWaalsContact O-N 3.08Å; T326-L328 PolarHBondContact O-N 3.12Å |
| 327 | N | 40.4 | Very low | 43.2 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 52% | 0.524 | 75% | 0.747 | S | S | . | * | | | trans | -64.7 | 106.6 | 171.4 | -170.2 | -26.8 | 0 | 0 | 0 | 107.7 | S325 N329 D330 | S325-N327 PolarHBondContact O-N 3.05Å; N327-N329 PolarHBondContact O-N 3.13Å; N327-N329 VanDerWaalsContact OD1-CB 3.28Å; N327-N329 WeakPolarHBondContact OD1-CB 3.4Å; N327-N329 PolarHBondContact OD1-N 3.29Å; N327-N329 VanDerWaalsContact OD1-N 3.11Å; N327-N329 PolarHBondContact OD1-ND2 3.38Å; N327-D330 PolarHBondContact O-N 3.08Å |
| 328 | L | 47.2 | Very low | 43.2 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -63.9 | -3.8 | -179.5 | -71.8 | 174.6 | 0 | 0 | 0 | 113.7 | T326 D330 | T326-L328 PolarHBondContact O-N 3.12Å; L328-D330 VanDerWaalsContact C-N 3.3Å; L328-D330 PolarHBondContact O-N 2.85Å |
| 329 | N | 44.9 | Very low | 43.2 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -75.4 | -15.5 | 176 | -66.7 | -56.6 | 0 | 0 | 0 | 114 | N327 V331 | N327-N329 PolarHBondContact O-N 3.13Å; N327-N329 VanDerWaalsContact OD1-CB 3.28Å; N327-N329 WeakPolarHBondContact OD1-CB 3.4Å; N327-N329 PolarHBondContact OD1-N 3.29Å; N327-N329 VanDerWaalsContact OD1-N 3.11Å; N327-N329 PolarHBondContact OD1-ND2 3.38Å; N329-V331 VanDerWaalsContact C-N 3.26Å; N329-V331 PolarHBondContact O-N 3.42Å |
| 330 | D | 47.2 | Very low | 43.3 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -82.1 | -0.1 | 177.4 | -76.6 | -15.2 | 0 | 0 | 0 | 113.5 | N327 L328 | N327-D330 PolarHBondContact O-N 3.08Å; L328-D330 VanDerWaalsContact C-N 3.3Å; L328-D330 PolarHBondContact O-N 2.85Å |
| 331 | V | 47.6 | Very low | 43.3 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -99 | -1.6 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | N329 | N329-V331 VanDerWaalsContact C-N 3.26Å; N329-V331 PolarHBondContact O-N 3.42Å |
| 332 | L | 43.2 | Very low | 43.5 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | | | trans | -116.7 | 25.4 | -179.4 | -69.5 | 177.4 | 0 | 0 | 0 | 114.6 | | |
| 333 | Q | 41.5 | Very low | 43.7 | Very low | 257 Ų | 257 | 139.8 Ų | 139.8 | 100% | 1.201 | 76% | 0.755 | S | S | * | * | | | trans | -114.9 | 0 | 163 | -92 | -174.3 | 2.9 | 0 | 0 | 112.2 | | |