| 1 | M | 37.8 | Very low | 45.5 | Very low | 245 Ų | 245 | 138.6 Ų | 138.6 | 100% | 1.207 | 75% | 0.747 | S | S | * | * | | | | 0 | 118.8 | 0 | -67.5 | 164.6 | 106.5 | 0 | 0 | 105.5 | | |
| 2 | G | 37.3 | Very low | 46.1 | Very low | 67 Ų | 67 | 143.4 Ų | 143.4 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | | | trans | -114.8 | 120.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | H4 | G2-H4 PolarHBondContact O-N 3Š|
| 3 | D | 40.8 | Very low | 46 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | | | trans | -76.4 | 106.3 | -179.5 | -69.3 | -26 | 0 | 0 | 0 | 109.2 | I5 | D3-I5 PolarHBondContact O-N 3.35Å; D3-I5 VanDerWaalsContact O-N 3.09Å |
| 4 | H | 40.9 | Very low | 45.7 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | | | trans | -68.8 | 100.7 | 163.3 | -84.3 | -92.8 | 0 | 0 | 0 | 108.2 | G2 E6 | G2-H4 PolarHBondContact O-N 3Å; H4-E6 PolarHBondContact O-N 2.88Å |
| 5 | I | 49.2 | Very low | 46.3 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | | | trans | -75.4 | 84.9 | 166.5 | -56.2 | 177.6 | 0 | 0 | 0 | 107.1 | D3 V7 | D3-I5 PolarHBondContact O-N 3.35Å; D3-I5 VanDerWaalsContact O-N 3.09Å; I5-V7 HydrophobicContact CG2-CG2 4.33Å; I5-V7 PolarHBondContact O-N 2.88Å |
| 6 | E | 45.4 | Very low | 46.6 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | | | trans | -66.8 | 101.6 | 170 | -171.2 | 173.1 | -148.7 | 0 | 0 | 108.2 | H4 Q8 | H4-E6 PolarHBondContact O-N 2.88Å; E6-Q8 PolarHBondContact O-N 3.17Å |
| 7 | V | 50.8 | Low | 47 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 56% | 0.564 | 76% | 0.755 | S | S | * | * | | | trans | -72.5 | 86.6 | 178.3 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | I5 I9 | I5-V7 HydrophobicContact CG2-CG2 4.33Å; I5-V7 PolarHBondContact O-N 2.88Å; V7-I9 HydrophobicContact CG1-CG1 4.37Å; V7-I9 PolarHBondContact O-N 3.13Å |
| 8 | Q | 45.6 | Very low | 47.8 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | | | trans | -70.4 | 95.5 | 177.5 | -155.6 | 168.4 | 66.7 | 0 | 0 | 108.6 | E6 T10 | E6-Q8 PolarHBondContact O-N 3.17Å; Q8-T10 VanDerWaalsContact C-N 3.3Å; Q8-T10 PolarHBondContact O-N 2.75Å |
| 9 | I | 55.5 | Low | 48.5 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 65% | 0.646 | 76% | 0.758 | S | S | * | * | | | trans | -71.7 | 89.5 | 175.2 | -56.4 | 175.2 | 0 | 0 | 0 | 107.8 | V7 | V7-I9 HydrophobicContact CG1-CG1 4.37Å; V7-I9 PolarHBondContact O-N 3.13Å |
| 10 | T | 45.8 | Very low | 49.4 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | | | trans | -61.7 | 126.2 | 173.6 | -43 | 0 | 0 | 0 | 0 | 109.1 | Q8 E12 | Q8-T10 VanDerWaalsContact C-N 3.3Å; Q8-T10 PolarHBondContact O-N 2.75Å; T10-E12 PolarHBondContact O-N 2.86Å |
| 11 | P | 51.1 | Low | 50.3 | Low | 80 Ų | 80 | 131.9 Ų | 131.9 | 52% | 0.519 | 72% | 0.72 | S | S | . | * | | | trans | -64.6 | 128.2 | 174.1 | 26.6 | -33.2 | 0 | 0 | 0 | 109.7 | T13 | P11-T13 PolarHBondContact O-N 3.37Š|
| 12 | E | 53.2 | Low | 52 | Low | 196 Ų | 196 | 125.9 Ų | 125.9 | 92% | 0.916 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -66.1 | -4.7 | -174.1 | -151.3 | -176.3 | -160.3 | 0 | 0 | 113.8 | T10 | T10-E12 PolarHBondContact O-N 2.86Š|
| 13 | T | 44.8 | Very low | 53.4 | Low | 88 Ų | 88 | 131.4 Ų | 131.4 | 54% | 0.54 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -150.3 | 132.6 | 168.5 | -44 | 0 | 0 | 0 | 0 | 110.4 | P11 G15 | P11-T13 PolarHBondContact O-N 3.37Å; T13-G15 PolarHBondContact O-N 3.29Å |
| 14 | P | 42.2 | Very low | 54.7 | Low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 126.2 | 173.8 | -23.9 | 34.2 | 0 | 0 | 0 | 112 | | |
| 15 | G | 53.8 | Low | 55.9 | Low | 81 Ų | 81 | 120.4 Ų | 120.4 | 84% | 0.835 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106 | -3.6 | 167 | 0 | 0 | 0 | 0 | 0 | 117.4 | T13 | T13-G15 PolarHBondContact O-N 3.29Š|
| 16 | R | 51.2 | Low | 56.7 | Low | 207 Ų | 207 | 117.5 Ų | 117.5 | 78% | 0.781 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -99.1 | 134.3 | 167.6 | -68.1 | -170.4 | 178.6 | -149.2 | -0.3 | 110.6 | | |
| 17 | P | 52.9 | Low | 57.5 | Low | 109 Ų | 109 | 114.5 Ų | 114.5 | 71% | 0.708 | 63% | 0.634 | S | S | * | * | | | trans | -63.9 | 143.8 | 171.1 | 28.4 | -33.5 | 0 | 0 | 0 | 109.5 | I19 | P17-I19 PolarHBondContact O-N 3.41Š|
| 18 | S | 62.6 | Low | 58.2 | Low | 102 Ų | 102 | 113.2 Ų | 113.2 | 71% | 0.713 | 62% | 0.624 | S | S | * | * | | | trans | -61.5 | 106.7 | 173.3 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | R20 | S18-R20 PolarHBondContact O-N 3.22Š|
| 19 | I | 60.5 | Low | 59 | Low | 168 Ų | 168 | 110.5 Ų | 110.5 | 86% | 0.862 | 61% | 0.608 | S | S | * | * | | | trans | -76.5 | 83.2 | 171.3 | -59.1 | 177.8 | 0 | 0 | 0 | 106.6 | P17 | P17-I19 PolarHBondContact O-N 3.41Š|
| 20 | R | 66.2 | Low | 59.2 | Low | 102 Ų | 102 | 109.3 Ų | 109.3 | 39% | 0.385 | 60% | 0.599 | S | S | . | * | | | trans | -81.4 | 128.7 | 173.8 | -172.4 | -173 | -179.5 | 94 | 34.7 | 108.9 | S18 E24 S25 P26 | S18-R20 PolarHBondContact O-N 3.22Å; R20-E24 VanDerWaalsContact CZ-O 3.3Å; R20-E24 PolarHBondContact NE-O 3.26Å; R20-E24 PolarHBondContact NH2-O 2.87Å; R20-S25 PolarHBondContact NH2-O 3.34Å; R20-P26 VanDerWaalsContact NH2-CA 3.31Å |
| 21 | N | 69.6 | Low | 59.9 | Low | 63 Ų | 63 | 110 Ų | 110 | 34% | 0.337 | 59% | 0.594 | S | S | . | * | | | trans | -55.5 | 123.4 | 170.1 | 174 | 4.8 | 0 | 0 | 0 | 109.7 | F23 E24 | N21-F23 PolarHBondContact O-N 3.35Å; N21-F23 VanDerWaalsContact O-N 3.11Å; N21-F23 WeakPolarHBondContact OD1-CD2 3.38Å; N21-F23 PolarHBondContact OD1-N 3.41Å; N21-E24 HydrophobicContact CB-CB 4.21Å; N21-E24 HydrophobicContact CB-CG 4.45Å; N21-E24 WeakPolarHBondContact CB-OE2 3.16Å; N21-E24 PolarHBondContact ND2-OE2 2.87Å; N21-E24 PolarHBondContact O-N 3.06Å; N21-E24 VanDerWaalsContact O-N 3.11Å |
| 22 | P | 73.2 | Confident | 60.3 | Low | 119 Ų | 119 | 112.6 Ų | 112.6 | 77% | 0.773 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -12.7 | -177.3 | 27.7 | -35.8 | 0 | 0 | 0 | 113.6 | | |
| 23 | F | 65.8 | Low | 60.5 | Low | 183 Ų | 183 | 114 Ų | 114 | 80% | 0.803 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -6.4 | 176.2 | -56.8 | -73.1 | 0 | 0 | 0 | 114.2 | N21 | N21-F23 PolarHBondContact O-N 3.35Å; N21-F23 VanDerWaalsContact O-N 3.11Å; N21-F23 WeakPolarHBondContact OD1-CD2 3.38Å; N21-F23 PolarHBondContact OD1-N 3.41Å |
| 24 | E | 67.6 | Low | 61.4 | Low | 65 Ų | 65 | 115.8 Ų | 115.8 | 30% | 0.304 | 60% | 0.603 | S | S | . | * | | | trans | -101.4 | 113.2 | 177.2 | -86.5 | 168.5 | 111.1 | 0 | 0 | 111.1 | R20 N21 Y29 | R20-E24 VanDerWaalsContact CZ-O 3.3Å; R20-E24 PolarHBondContact NE-O 3.26Å; R20-E24 PolarHBondContact NH2-O 2.87Å; N21-E24 HydrophobicContact CB-CB 4.21Å; N21-E24 HydrophobicContact CB-CG 4.45Å; N21-E24 WeakPolarHBondContact CB-OE2 3.16Å; N21-E24 PolarHBondContact ND2-OE2 2.87Å; N21-E24 PolarHBondContact O-N 3.06Å; N21-E24 VanDerWaalsContact O-N 3.11Å; E24-Y29 WeakPolarHBondContact OE1-CE1 3.38Å; E24-Y29 PolarHBondContact OE1-OH 3.31Å; E24-Y29 PolarHBondContact OE2-OH 3.41Å |
| 25 | S | 68.1 | Low | 62.1 | Low | 45 Ų | 45 | 115.3 Ų | 115.3 | 32% | 0.315 | 60% | 0.6 | S | S | . | * | | | trans | -72.6 | 153.8 | 174.7 | 103.3 | 0 | 0 | 0 | 0 | 111.2 | R20 N27 D28 | R20-S25 PolarHBondContact NH2-O 3.34Å; S25-N27 PolarHBondContact O-N 3.33Å; S25-N27 VanDerWaalsContact O-N 3.15Å; S25-N27 PolarHBondContact OG-N 2.95Å; S25-D28 WeakPolarHBondContact CB-OD1 3.12Å; S25-D28 WeakPolarHBondContact CB-OD2 3.43Å; S25-D28 PolarHBondContact N-OD2 2.86Å; S25-D28 PolarHBondContact O-N 2.77Å; S25-D28 PolarHBondContact OG-N 3.41Å; S25-D28 PolarHBondContact OG-OD1 3Å |
| 26 | P | 65.8 | Low | 62.1 | Low | 85 Ų | 85 | 119.7 Ų | 119.7 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -26.9 | 175.8 | -24.1 | 33.3 | 0 | 0 | 0 | 113.6 | R20 | R20-P26 VanDerWaalsContact NH2-CA 3.31Š|
| 27 | N | 61.3 | Low | 62.2 | Low | 99 Ų | 99 | 115.3 Ų | 115.3 | 53% | 0.529 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.6 | -18.6 | -178 | -83.8 | 0.7 | 0 | 0 | 0 | 114.4 | S25 Y29 H30 | S25-N27 PolarHBondContact O-N 3.33Å; S25-N27 VanDerWaalsContact O-N 3.15Å; S25-N27 PolarHBondContact OG-N 2.95Å; N27-Y29 PolarHBondContact O-N 3.16Å; N27-H30 WeakPolarHBondContact O-CB 3.32Å; N27-H30 PolarHBondContact O-N 3.32Å |
| 28 | D | 65.1 | Low | 62.1 | Low | 66 Ų | 66 | 115.7 Ų | 115.7 | 35% | 0.353 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.4 | -34.2 | -172.9 | -58.7 | -12.2 | 0 | 0 | 0 | 111.1 | S25 H30 H31 L32 | S25-D28 WeakPolarHBondContact CB-OD1 3.12Å; S25-D28 WeakPolarHBondContact CB-OD2 3.43Å; S25-D28 PolarHBondContact N-OD2 2.86Å; S25-D28 PolarHBondContact O-N 2.77Å; S25-D28 PolarHBondContact OG-N 3.41Å; S25-D28 PolarHBondContact OG-OD1 3Å; D28-H30 VanDerWaalsContact C-N 3.33Å; D28-H30 PolarHBondContact O-N 3.44Å; D28-H31 PolarHBondContact O-N 3.02Å; D28-L32 PolarHBondContact O-N 3.34Å |
| 29 | Y | 62.6 | Low | 61.1 | Low | 99 Ų | 99 | 116.1 Ų | 116.1 | 39% | 0.388 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.6 | -22.6 | 175.3 | -57.3 | -65.3 | 0 | 0 | 0 | 114.8 | E24 N27 L32 | E24-Y29 WeakPolarHBondContact OE1-CE1 3.38Å; E24-Y29 PolarHBondContact OE1-OH 3.31Å; E24-Y29 PolarHBondContact OE2-OH 3.41Å; N27-Y29 PolarHBondContact O-N 3.16Å; Y29-L32 HydrophobicContact CD1-CD1 4.18Å |
| 30 | H | 60.8 | Low | 60.8 | Low | 101 Ų | 101 | 114 Ų | 114 | 47% | 0.468 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.4 | -38.9 | 177 | -72.3 | -57 | 0 | 0 | 0 | 110.9 | N27 D28 L32 R33 | N27-H30 WeakPolarHBondContact O-CB 3.32Å; N27-H30 PolarHBondContact O-N 3.32Å; D28-H30 VanDerWaalsContact C-N 3.33Å; D28-H30 PolarHBondContact O-N 3.44Å; H30-L32 VanDerWaalsContact C-N 3.33Å; H30-L32 PolarHBondContact O-N 3.1Å; H30-R33 PolarHBondContact O-N 3.18Å |
| 31 | H | 59 | Low | 60 | Low | 123 Ų | 123 | 113.3 Ų | 113.3 | 57% | 0.569 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.6 | -26.4 | 178.1 | -57.1 | 169.7 | 0 | 0 | 0 | 112.6 | D28 R33 E34 | D28-H31 PolarHBondContact O-N 3.02Å; H31-R33 PolarHBondContact O-N 3.48Å; H31-E34 IonicContact CD2-OE1 3.15Å; H31-E34 PolarHBondContact O-N 3.07Å |
| 32 | L | 60.4 | Low | 59.3 | Low | 136 Ų | 136 | 116.4 Ų | 116.4 | 71% | 0.712 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -15 | 173.9 | -65.9 | 176.3 | 0 | 0 | 0 | 113.9 | D28 Y29 H30 | D28-L32 PolarHBondContact O-N 3.34Å; Y29-L32 HydrophobicContact CD1-CD1 4.18Å; H30-L32 VanDerWaalsContact C-N 3.33Å; H30-L32 PolarHBondContact O-N 3.1Å |
| 33 | R | 57.5 | Low | 58.4 | Low | 225 Ų | 225 | 119.5 Ų | 119.5 | 85% | 0.849 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -9.1 | 176.8 | -67.7 | -73 | -179.7 | 112.5 | -0.5 | 113 | H30 H31 | H30-R33 PolarHBondContact O-N 3.18Å; H31-R33 PolarHBondContact O-N 3.48Å |
| 34 | E | 63.7 | Low | 57.8 | Low | 126 Ų | 126 | 120.7 Ų | 120.7 | 59% | 0.589 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -68 | 132.6 | 173.2 | -65.8 | -174.8 | -173.8 | 0 | 0 | 109.4 | H31 L36 | H31-E34 IonicContact CD2-OE1 3.15Å; H31-E34 PolarHBondContact O-N 3.07Å; E34-L36 PolarHBondContact O-N 3.32Å |
| 35 | P | 56.8 | Low | 57.1 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | | | trans | -58 | 114.2 | 175.7 | -24.2 | 34.1 | 0 | 0 | 0 | 109.9 | V37 | P35-V37 VanDerWaalsContact C-N 3.28Å; P35-V37 PolarHBondContact O-N 3.12Å |
| 36 | L | 53.4 | Low | 56.5 | Low | 173 Ų | 173 | 130.3 Ų | 130.3 | 91% | 0.906 | 68% | 0.684 | S | S | * | * | | | trans | -61.2 | 88.7 | 176.6 | -79 | 163.3 | 0 | 0 | 0 | 109.9 | E34 P38 | E34-L36 PolarHBondContact O-N 3.32Å; L36-P38 WeakPolarHBondContact O-CD 3.44Å |
| 37 | V | 54 | Low | 55.8 | Low | 115 Ų | 115 | 132.2 Ų | 132.2 | 70% | 0.697 | 70% | 0.697 | S | S | * | * | | | trans | -59.8 | 119.7 | 167.2 | -177.3 | 0 | 0 | 0 | 0 | 106.4 | P35 S39 | P35-V37 VanDerWaalsContact C-N 3.28Å; P35-V37 PolarHBondContact O-N 3.12Å; V37-S39 PolarHBondContact O-N 3.08Å; V37-S39 PolarHBondContact O-OG 3.24Å |
| 38 | P | 49.5 | Very low | 54.9 | Low | 117 Ų | 117 | 132.6 Ų | 132.6 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | | | trans | -65.8 | 100 | -175.4 | 26.1 | -33.8 | 0 | 0 | 0 | 108.7 | L36 P40 | L36-P38 WeakPolarHBondContact O-CD 3.44Å; P38-P40 WeakPolarHBondContact O-CD 3.41Å |
| 39 | S | 42.3 | Very low | 54.3 | Low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | | | trans | -81.4 | 109.6 | -175.8 | -71.2 | 0 | 0 | 0 | 0 | 109.9 | V37 S41 | V37-S39 PolarHBondContact O-N 3.08Å; V37-S39 PolarHBondContact O-OG 3.24Å; S39-S41 PolarHBondContact O-N 3.4Å |
| 40 | P | 54.1 | Low | 54 | Low | 123 Ų | 123 | 138.9 Ų | 138.9 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | | | trans | -91.9 | 95.3 | -175.8 | 33.6 | -24.5 | 0 | 0 | 0 | 109.7 | P38 | P38-P40 WeakPolarHBondContact O-CD 3.41Š|
| 41 | S | 50 | Low | 53.9 | Low | 87 Ų | 87 | 139 Ų | 139 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | | | trans | -159.9 | 86 | 163.9 | -96.3 | 0 | 0 | 0 | 0 | 113.4 | S39 | S39-S41 PolarHBondContact O-N 3.4Š|
| 42 | V | 54.7 | Low | 53.9 | Low | 129 Ų | 129 | 138 Ų | 138 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -77.2 | -11.7 | 162.9 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 43 | F | 54.7 | Low | 54 | Low | 183 Ų | 183 | 137.9 Ų | 137.9 | 80% | 0.803 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -136 | 49 | -172.7 | -59.9 | -69.9 | 0 | 0 | 0 | 115.2 | | |
| 44 | R | 52.2 | Low | 54.4 | Low | 208 Ų | 208 | 135.6 Ų | 135.6 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -139.1 | 84 | 166.1 | -70.4 | -66.5 | -178.1 | 141.5 | 1 | 111.1 | K46 | R44-K46 PolarHBondContact O-N 3.4Š|
| 45 | S | 52.6 | Low | 54.7 | Low | 122 Ų | 122 | 137.4 Ų | 137.4 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | -65.5 | 102.8 | 167.8 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 46 | K | 55.1 | Low | 55.8 | Low | 191 Ų | 191 | 136.9 Ų | 136.9 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | trans | -67.5 | 136.3 | 163.7 | -65 | 179.2 | -177.3 | 174.7 | 0 | 107.7 | R44 C48 | R44-K46 PolarHBondContact O-N 3.4Å; K46-C48 PolarHBondContact O-N 3.32Å |
| 47 | P | 52 | Low | 57.3 | Low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | | | trans | -66.7 | 102.5 | 174.8 | 27 | -32.6 | 0 | 0 | 0 | 108.9 | K49 | P47-K49 PolarHBondContact O-N 3.47Š|
| 48 | C | 41.5 | Very low | 58.9 | Low | 107 Ų | 107 | 131.2 Ų | 131.2 | 72% | 0.723 | 72% | 0.723 | S | S | * | * | | | trans | -64.1 | 123.3 | 172.8 | -163.1 | 0 | 0 | 0 | 0 | 108 | K46 A50 | K46-C48 PolarHBondContact O-N 3.32Å; C48-A50 PolarHBondContact O-N 2.93Å |
| 49 | K | 53.7 | Low | 60.7 | Low | 203 Ų | 203 | 132.5 Ų | 132.5 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -75.2 | 113.5 | -179.9 | -74.3 | -170 | 175.8 | -175.1 | 0 | 109.3 | P47 | P47-K49 PolarHBondContact O-N 3.47Š|
| 50 | A | 55.8 | Low | 62.9 | Low | 95 Ų | 95 | 133.4 Ų | 133.4 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | | | trans | 60.3 | 61.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | C48 | C48-A50 PolarHBondContact O-N 2.93Š|
| 51 | T | 58.2 | Low | 64.5 | Low | 102 Ų | 102 | 132 Ų | 132 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | S | Bend | | -70.2 | 144.3 | 128.3 | 45.1 | 0 | 0 | 0 | 0 | 108.3 | P53 | T51-P53 WeakPolarHBondContact O-CD 3.33Š|
| 52 | P | 59.2 | Low | 66.3 | Low | 103 Ų | 103 | 133.4 Ų | 133.4 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | | | trans | -52.9 | 123.2 | 174.1 | -27.4 | 35.7 | 0 | 0 | 0 | 109.9 | K54 | P52-K54 PolarHBondContact O-N 3Š|
| 53 | P | 63.3 | Low | 67.7 | Low | 134 Ų | 134 | 131.1 Ų | 131.1 | 87% | 0.87 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -61.1 | -19.1 | -166.1 | -28.7 | 35.7 | 0 | 0 | 0 | 115.5 | T51 | T51-P53 WeakPolarHBondContact O-CD 3.33Š|
| 54 | K | 65.9 | Low | 69.2 | Low | 176 Ų | 176 | 126.3 Ų | 126.3 | 77% | 0.765 | 68% | 0.683 | S | S | * | * | | | trans | -149.7 | 85.9 | 179.4 | -60.4 | -176.4 | -177.2 | 176.8 | 0 | 109.4 | P52 N56 | P52-K54 PolarHBondContact O-N 3Å; K54-N56 VanDerWaalsContact C-N 3.27Å; K54-N56 WeakPolarHBondContact CB-OD1 3.1Å; K54-N56 PolarHBondContact O-N 3.27Å |
| 55 | F | 69.3 | Low | 70.9 | Confident | 165 Ų | 165 | 121.2 Ų | 121.2 | 72% | 0.724 | 67% | 0.671 | S | S | * | * | | | trans | -86.3 | 81.5 | 155.1 | -175.3 | -106.8 | 0 | 0 | 0 | 107.5 | W57 | F55-W57 AromaticContact CE1-CD1 3.78Å; F55-W57 AromaticContact CE1-NE1 3.27Å; F55-W57 VanDerWaalsContact CE1-NE1 3.27Å; F55-W57 AromaticContact CZ-CD1 3.92Å; F55-W57 AromaticContact CZ-CE2 3.66Å; F55-W57 AromaticContact CZ-CZ2 3.96Å; F55-W57 HydrophobicContact CZ-CZ2 3.96Å; F55-W57 AromaticContact CZ-NE1 3.17Å |
| 56 | N | 79.8 | Confident | 72.5 | Confident | 106 Ų | 106 | 122.7 Ų | 122.7 | 57% | 0.567 | 67% | 0.668 | S | S | * | * | | | trans | -112.5 | 117.4 | 170 | 64 | -62.6 | 0 | 0 | 0 | 107.5 | K54 S58 | K54-N56 VanDerWaalsContact C-N 3.27Å; K54-N56 WeakPolarHBondContact CB-OD1 3.1Å; K54-N56 PolarHBondContact O-N 3.27Å; N56-S58 PolarHBondContact O-N 2.88Å |
| 57 | W | 84.8 | Confident | 74 | Confident | 129 Ų | 129 | 119.4 Ų | 119.4 | 49% | 0.489 | 67% | 0.667 | S | S | . | * | | | trans | -63.3 | 122.8 | 163.5 | -65.4 | 82.6 | 0 | 0 | 0 | 107.7 | F55 E61 M62 L65 | F55-W57 AromaticContact CE1-CD1 3.78Å; F55-W57 AromaticContact CE1-NE1 3.27Å; F55-W57 VanDerWaalsContact CE1-NE1 3.27Å; F55-W57 AromaticContact CZ-CD1 3.92Å; F55-W57 AromaticContact CZ-CE2 3.66Å; F55-W57 AromaticContact CZ-CZ2 3.96Å; F55-W57 HydrophobicContact CZ-CZ2 3.96Å; F55-W57 AromaticContact CZ-NE1 3.17Å; W57-E61 HydrophobicContact CE3-CB 3.88Å; W57-E61 HydrophobicContact CZ3-CB 4.47Å; W57-M62 HydrophobicContact CB-CG 3.54Å; W57-M62 HydrophobicContact CB-SD 4.16Å; W57-M62 HydrophobicContact CD2-CG 4.5Å; W57-M62 HydrophobicContact CE3-CG 4.43Å; W57-M62 HydrophobicContact CG-CG 4.18Å; W57-L65 HydrophobicContact CE3-CD1 4.4Å; W57-L65 HydrophobicContact CH2-CD1 4.32Å; W57-L65 HydrophobicContact CH2-CD2 3.91Å; W57-L65 HydrophobicContact CZ3-CD1 4.03Å; W57-L65 HydrophobicContact CZ3-CD2 3.74Å; W57-L65 HydrophobicContact CZ3-CG 4.05Å |
| 58 | S | 87.8 | Confident | 75.6 | Confident | 40 Ų | 40 | 119.6 Ų | 119.6 | 28% | 0.28 | 67% | 0.665 | S | S | . | * | | | trans | -67 | 158.8 | 161.9 | 63 | 0 | 0 | 0 | 0 | 110 | N56 D60 E61 M62 | N56-S58 PolarHBondContact O-N 2.88Å; S58-D60 PolarHBondContact O-N 3.06Å; S58-E61 VanDerWaalsContact CB-OE2 3.26Å; S58-E61 WeakPolarHBondContact CB-OE2 3.34Å; S58-E61 PolarHBondContact N-OE2 3.39Å; S58-E61 PolarHBondContact O-N 3.05Å; S58-E61 WeakPolarHBondContact OG-CB 3.22Å; S58-E61 WeakPolarHBondContact OG-CG 3.42Å; S58-E61 PolarHBondContact OG-N 2.79Å; S58-E61 PolarHBondContact OG-OE2 2.84Å; S58-M62 PolarHBondContact O-N 3Å |
| 59 | I | 86.6 | Confident | 77.8 | Confident | 144 Ų | 144 | 122.4 Ų | 122.4 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -60 | -36.8 | 177.8 | -62.9 | 172.5 | 0 | 0 | 0 | 110 | M62 A63 | I59-M62 PolarHBondContact O-N 2.83Å; I59-A63 VanDerWaalsContact O-CB 3.28Å; I59-A63 WeakPolarHBondContact O-CB 3.31Å; I59-A63 PolarHBondContact O-N 3.5Å |
| 60 | D | 89.5 | Confident | 79.5 | Confident | 130 Ų | 130 | 118.1 Ų | 118.1 | 70% | 0.695 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.9 | -39.6 | 177.4 | -54.8 | -53.3 | 0 | 0 | 0 | 112.2 | S58 A63 S64 | S58-D60 PolarHBondContact O-N 3.06Å; D60-A63 PolarHBondContact O-N 2.89Å; D60-S64 PolarHBondContact O-N 2.92Å |
| 61 | E | 87.9 | Confident | 81.2 | Confident | 95 Ų | 95 | 116.4 Ų | 116.4 | 44% | 0.444 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66 | -40 | 173.2 | -72.7 | 161.4 | 135.1 | 0 | 0 | 111.6 | W57 S58 S64 | W57-E61 HydrophobicContact CE3-CB 3.88Å; W57-E61 HydrophobicContact CZ3-CB 4.47Å; S58-E61 VanDerWaalsContact CB-OE2 3.26Å; S58-E61 WeakPolarHBondContact CB-OE2 3.34Å; S58-E61 PolarHBondContact N-OE2 3.39Å; S58-E61 PolarHBondContact O-N 3.05Å; S58-E61 WeakPolarHBondContact OG-CB 3.22Å; S58-E61 WeakPolarHBondContact OG-CG 3.42Å; S58-E61 PolarHBondContact OG-N 2.79Å; S58-E61 PolarHBondContact OG-OE2 2.84Å; E61-S64 PolarHBondContact O-N 2.86Å; E61-S64 PolarHBondContact O-OG 3.01Å |
| 62 | M | 87.9 | Confident | 82.6 | Confident | 115 Ų | 115 | 115.2 Ų | 115.2 | 57% | 0.567 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.8 | -40.4 | 172.6 | -66.3 | -171.3 | 64.1 | 0 | 0 | 112.3 | W57 S58 I59 S64 L65 | W57-M62 HydrophobicContact CB-CG 3.54Å; W57-M62 HydrophobicContact CB-SD 4.16Å; W57-M62 HydrophobicContact CD2-CG 4.5Å; W57-M62 HydrophobicContact CE3-CG 4.43Å; W57-M62 HydrophobicContact CG-CG 4.18Å; S58-M62 PolarHBondContact O-N 3Å; I59-M62 PolarHBondContact O-N 2.83Å; M62-S64 PolarHBondContact O-N 3.49Å; M62-L65 WeakPolarHBondContact O-CB 3.36Å; M62-L65 PolarHBondContact O-N 3.13Å |
| 63 | A | 84.3 | Confident | 84.2 | Confident | 81 Ų | 81 | 116.7 Ų | 116.7 | 67% | 0.669 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.6 | -20.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I59 D60 L65 | I59-A63 VanDerWaalsContact O-CB 3.28Å; I59-A63 WeakPolarHBondContact O-CB 3.31Å; I59-A63 PolarHBondContact O-N 3.5Å; D60-A63 PolarHBondContact O-N 2.89Å; A63-L65 VanDerWaalsContact C-N 3.3Å |
| 64 | S | 85.9 | Confident | 85.5 | Confident | 83 Ų | 83 | 113.4 Ų | 113.4 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -13 | 172.7 | 80.8 | 0 | 0 | 0 | 0 | 114.1 | D60 E61 M62 L66 | D60-S64 PolarHBondContact O-N 2.92Å; E61-S64 PolarHBondContact O-N 2.86Å; E61-S64 PolarHBondContact O-OG 3.01Å; M62-S64 PolarHBondContact O-N 3.49Å; S64-L66 PolarHBondContact O-N 3.2Å |
| 65 | L | 87.6 | Confident | 86.7 | Confident | 101 Ų | 101 | 109.3 Ų | 109.3 | 53% | 0.529 | 58% | 0.581 | S | S | . | * | | | trans | -69.8 | 111.6 | 177.4 | -64.4 | 177.1 | 0 | 0 | 0 | 110.2 | W57 M62 A63 | W57-L65 HydrophobicContact CE3-CD1 4.4Å; W57-L65 HydrophobicContact CH2-CD1 4.32Å; W57-L65 HydrophobicContact CH2-CD2 3.91Å; W57-L65 HydrophobicContact CZ3-CD1 4.03Å; W57-L65 HydrophobicContact CZ3-CD2 3.74Å; W57-L65 HydrophobicContact CZ3-CG 4.05Å; M62-L65 WeakPolarHBondContact O-CB 3.36Å; M62-L65 PolarHBondContact O-N 3.13Å; A63-L65 VanDerWaalsContact C-N 3.3Å |
| 66 | L | 86.6 | Confident | 87.8 | Confident | 152 Ų | 152 | 107.7 Ų | 107.7 | 80% | 0.796 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 144.4 | 171.6 | -62.6 | 177.4 | 0 | 0 | 0 | 110.1 | S64 V68 | S64-L66 PolarHBondContact O-N 3.2Å; L66-V68 PolarHBondContact O-N 2.93Å |
| 67 | P | 86.8 | Confident | 88.4 | Confident | 123 Ų | 123 | 108.8 Ų | 108.8 | 80% | 0.799 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 131.6 | 169.5 | -25.9 | 34.5 | 0 | 0 | 0 | 110.4 | H69 | P67-H69 PolarHBondContact O-N 3.04Å; P67-H69 VanDerWaalsContact O-N 3.11Å |
| 68 | V | 86.1 | Confident | 88.6 | Confident | 127 Ų | 127 | 107.7 Ų | 107.7 | 77% | 0.77 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -58 | 120.3 | 177.8 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | L66 I70 | L66-V68 PolarHBondContact O-N 2.93Å; V68-I70 HydrophobicContact CG1-CG1 4.2Å; V68-I70 PolarHBondContact O-N 3.31Å |
| 69 | H | 87.6 | Confident | 88.6 | Confident | 167 Ų | 167 | 109 Ų | 109 | 77% | 0.773 | 58% | 0.582 | S | S | * | * | | | trans | -72.1 | 99.4 | 173.6 | -177.6 | 67.3 | 0 | 0 | 0 | 108.8 | P67 | P67-H69 PolarHBondContact O-N 3.04Å; P67-H69 VanDerWaalsContact O-N 3.11Å |
| 70 | I | 88.2 | Confident | 88.6 | Confident | 112 Ų | 112 | 108 Ų | 108 | 57% | 0.574 | 57% | 0.572 | S | S | * | * | | | trans | -87.6 | 113.6 | 173 | -51 | 176.6 | 0 | 0 | 0 | 107.3 | V68 I75 | V68-I70 HydrophobicContact CG1-CG1 4.2Å; V68-I70 PolarHBondContact O-N 3.31Å; I70-I75 HydrophobicContact CG2-CD1 3.69Å; I70-I75 HydrophobicContact CG2-CG1 3.64Å |
| 71 | D | 91 | Very high | 88.6 | Confident | 59 Ų | 59 | 109 Ų | 109 | 32% | 0.316 | 57% | 0.567 | S | S | . | * | | | trans | -65.2 | 122 | 175.1 | 174.3 | 10.1 | 0 | 0 | 0 | 110.1 | E73 E74 I75 | D71-E73 PolarHBondContact O-N 2.82Å; D71-E73 WeakPolarHBondContact OD1-CB 3.41Å; D71-E73 PolarHBondContact OD1-N 2.9Å; D71-E74 HydrophobicContact CB-CB 4.1Å; D71-E74 WeakPolarHBondContact O-CB 3.26Å; D71-E74 PolarHBondContact O-N 3.43Å; D71-E74 VanDerWaalsContact O-N 3.09Å; D71-I75 PolarHBondContact O-N 3.4Å; D71-I75 VanDerWaalsContact O-N 3.17Å |
| 72 | P | 88.6 | Confident | 88.4 | Confident | 78 Ų | 78 | 109.9 Ų | 109.9 | 51% | 0.506 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.1 | -26.7 | 176.5 | 26.6 | -35.4 | 0 | 0 | 0 | 113 | I75 Q76 | P72-I75 PolarHBondContact O-N 2.81Å; P72-Q76 WeakPolarHBondContact O-CG 3.29Å; P72-Q76 PolarHBondContact O-N 2.89Å |
| 73 | E | 91.8 | Very high | 87.9 | Confident | 133 Ų | 133 | 108.6 Ų | 108.6 | 62% | 0.621 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.9 | -31.4 | 175.4 | -60.3 | -172.6 | -171.6 | 0 | 0 | 111.9 | D71 Q76 R77 | D71-E73 PolarHBondContact O-N 2.82Å; D71-E73 WeakPolarHBondContact OD1-CB 3.41Å; D71-E73 PolarHBondContact OD1-N 2.9Å; E73-Q76 PolarHBondContact O-N 3.26Å; E73-R77 WeakPolarHBondContact O-CB 3.49Å; E73-R77 PolarHBondContact O-N 3.32Å |
| 74 | E | 91.3 | Very high | 87.3 | Confident | 65 Ų | 65 | 111.4 Ų | 111.4 | 30% | 0.304 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.1 | -42.4 | 170 | -175.9 | 69.7 | -91.6 | 0 | 0 | 110.9 | D71 Q76 R77 Q78 | D71-E74 HydrophobicContact CB-CB 4.1Å; D71-E74 WeakPolarHBondContact O-CB 3.26Å; D71-E74 PolarHBondContact O-N 3.43Å; D71-E74 VanDerWaalsContact O-N 3.09Å; E74-Q76 VanDerWaalsContact C-N 3.3Å; E74-Q76 PolarHBondContact O-N 3.34Å; E74-R77 PolarHBondContact O-N 2.92Å; E74-R77 IonicContact OE1-CZ 3.99Å; E74-R77 IonicContact OE1-NE 3.27Å; E74-R77 PolarHBondContact OE1-NE 3.21Å; E74-R77 IonicContact OE1-NH2 2.81Å; E74-R77 PolarHBondContact OE1-NH2 3.38Å; E74-R77 IonicContact OE2-CZ 2.7Å; E74-R77 IonicContact OE2-NE 3.38Å; E74-R77 IonicContact OE2-NH2 2.72Å; E74-R77 PolarHBondContact OE2-NH2 2.9Å; E74-Q78 HydrophobicContact CG-CG 4.29Å; E74-Q78 WeakPolarHBondContact O-CB 3.48Å; E74-Q78 VanDerWaalsContact O-CG 3.28Å; E74-Q78 WeakPolarHBondContact O-CG 3.12Å; E74-Q78 PolarHBondContact O-N 2.95Å |
| 75 | I | 90.8 | Very high | 86.6 | Confident | 91 Ų | 91 | 110.6 Ų | 110.6 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59 | -45.4 | 174.7 | -57.7 | 174.1 | 0 | 0 | 0 | 110.1 | I70 D71 P72 Q78 S79 | I70-I75 HydrophobicContact CG2-CD1 3.69Å; I70-I75 HydrophobicContact CG2-CG1 3.64Å; D71-I75 PolarHBondContact O-N 3.4Å; D71-I75 VanDerWaalsContact O-N 3.17Å; P72-I75 PolarHBondContact O-N 2.81Å; I75-Q78 PolarHBondContact O-N 3.1Å; I75-S79 WeakPolarHBondContact O-CB 3.19Å; I75-S79 PolarHBondContact O-N 3.4Å; I75-S79 PolarHBondContact O-OG 3.22Å |
| 76 | Q | 92.6 | Very high | 85.5 | Confident | 131 Ų | 131 | 116 Ų | 116 | 61% | 0.612 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.8 | -46.5 | 176.7 | -73.3 | 178.5 | 13.2 | 0 | 0 | 111.6 | P72 E73 E74 Q78 S79 F80 | P72-Q76 WeakPolarHBondContact O-CG 3.29Å; P72-Q76 PolarHBondContact O-N 2.89Å; E73-Q76 PolarHBondContact O-N 3.26Å; E74-Q76 VanDerWaalsContact C-N 3.3Å; E74-Q76 PolarHBondContact O-N 3.34Å; Q76-Q78 PolarHBondContact O-N 3.06Å; Q76-S79 PolarHBondContact O-N 3.21Å; Q76-S79 PolarHBondContact O-OG 3.15Å; Q76-F80 WeakPolarHBondContact O-CB 3.27Å; Q76-F80 PolarHBondContact O-N 3.19Å |
| 77 | R | 92.2 | Very high | 84.3 | Confident | 128 Ų | 128 | 114.8 Ų | 114.8 | 48% | 0.483 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.1 | -43.2 | 176.7 | 174.6 | 168.8 | 57.3 | -121.4 | 12.8 | 112.4 | E73 E74 Y81 | E73-R77 WeakPolarHBondContact O-CB 3.49Å; E73-R77 PolarHBondContact O-N 3.32Å; E74-R77 PolarHBondContact O-N 2.92Å; E74-R77 IonicContact OE1-CZ 3.99Å; E74-R77 IonicContact OE1-NE 3.27Å; E74-R77 PolarHBondContact OE1-NE 3.21Å; E74-R77 IonicContact OE1-NH2 2.81Å; E74-R77 PolarHBondContact OE1-NH2 3.38Å; E74-R77 IonicContact OE2-CZ 2.7Å; E74-R77 IonicContact OE2-NE 3.38Å; E74-R77 IonicContact OE2-NH2 2.72Å; E74-R77 PolarHBondContact OE2-NH2 2.9Å; R77-Y81 VanDerWaalsContact O-CB 3.29Å; R77-Y81 WeakPolarHBondContact O-CB 3.17Å; R77-Y81 PolarHBondContact O-N 3.19Å |
| 78 | Q | 90.6 | Very high | 83.8 | Confident | 107 Ų | 107 | 113.3 Ų | 113.3 | 50% | 0.5 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66 | -43 | 175.3 | -72.8 | 178.9 | 1.3 | 0 | 0 | 111.7 | E74 I75 Q76 Y81 L82 | E74-Q78 HydrophobicContact CG-CG 4.29Å; E74-Q78 WeakPolarHBondContact O-CB 3.48Å; E74-Q78 VanDerWaalsContact O-CG 3.28Å; E74-Q78 WeakPolarHBondContact O-CG 3.12Å; E74-Q78 PolarHBondContact O-N 2.95Å; I75-Q78 PolarHBondContact O-N 3.1Å; Q76-Q78 PolarHBondContact O-N 3.06Å; Q78-Y81 PolarHBondContact O-N 3.12Å; Q78-L82 WeakPolarHBondContact O-CB 3.28Å; Q78-L82 VanDerWaalsContact O-CG 3.27Å; Q78-L82 WeakPolarHBondContact O-CG 3.18Å; Q78-L82 PolarHBondContact O-N 3.3Å |
| 79 | S | 86.8 | Confident | 83.8 | Confident | 67 Ų | 67 | 110.8 Ų | 110.8 | 47% | 0.469 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 176.8 | 74.8 | 0 | 0 | 0 | 0 | 112.1 | I75 Q76 L82 S83 | I75-S79 WeakPolarHBondContact O-CB 3.19Å; I75-S79 PolarHBondContact O-N 3.4Å; I75-S79 PolarHBondContact O-OG 3.22Å; Q76-S79 PolarHBondContact O-N 3.21Å; Q76-S79 PolarHBondContact O-OG 3.15Å; S79-L82 PolarHBondContact O-N 3.34Å; S79-S83 WeakPolarHBondContact O-CB 3.42Å; S79-S83 PolarHBondContact O-N 2.75Å; S79-S83 PolarHBondContact O-OG 3.33Å |
| 80 | F | 87.7 | Confident | 83.9 | Confident | 124 Ų | 124 | 108.1 Ų | 108.1 | 54% | 0.544 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.6 | -48.7 | 173.8 | 179.6 | -94.4 | 0 | 0 | 0 | 110.5 | Q76 L82 S83 Q84 | Q76-F80 WeakPolarHBondContact O-CB 3.27Å; Q76-F80 PolarHBondContact O-N 3.19Å; F80-L82 PolarHBondContact O-N 2.84Å; F80-S83 WeakPolarHBondContact CA-OG 3.34Å; F80-S83 PolarHBondContact O-N 3.31Å; F80-S83 PolarHBondContact O-OG 2.72Å; F80-Q84 WeakPolarHBondContact O-CB 3.42Å; F80-Q84 PolarHBondContact O-N 2.81Å |
| 81 | Y | 87.7 | Confident | 84 | Confident | 149 Ų | 149 | 107.7 Ų | 107.7 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.4 | -44.5 | 177.9 | -177.3 | -101.6 | 0 | 0 | 0 | 111.9 | R77 Q78 Q84 T85 | R77-Y81 VanDerWaalsContact O-CB 3.29Å; R77-Y81 WeakPolarHBondContact O-CB 3.17Å; R77-Y81 PolarHBondContact O-N 3.19Å; Q78-Y81 PolarHBondContact O-N 3.12Å; Y81-Q84 PolarHBondContact O-N 3.45Å; Y81-T85 HydrophobicContact CE1-CG2 4.42Å; Y81-T85 WeakPolarHBondContact CE1-OG1 3.42Å; Y81-T85 WeakPolarHBondContact O-CB 3.43Å; Y81-T85 PolarHBondContact O-N 2.95Å; Y81-T85 PolarHBondContact O-OG1 3.34Å |
| 82 | L | 83.9 | Confident | 84 | Confident | 115 Ų | 115 | 109.1 Ų | 109.1 | 60% | 0.602 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65 | -44.5 | 176.9 | -71.5 | 169.8 | 0 | 0 | 0 | 111.8 | Q78 S79 F80 Q84 T85 R86 | Q78-L82 WeakPolarHBondContact O-CB 3.28Å; Q78-L82 VanDerWaalsContact O-CG 3.27Å; Q78-L82 WeakPolarHBondContact O-CG 3.18Å; Q78-L82 PolarHBondContact O-N 3.3Å; S79-L82 PolarHBondContact O-N 3.34Å; F80-L82 PolarHBondContact O-N 2.84Å; L82-Q84 PolarHBondContact O-N 2.61Å; L82-T85 PolarHBondContact O-N 3.37Å; L82-T85 VanDerWaalsContact O-N 3.14Å; L82-R86 PolarHBondContact O-N 2.96Å |
| 83 | S | 77.6 | Confident | 84.2 | Confident | 87 Ų | 87 | 111.8 Ų | 111.8 | 61% | 0.608 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61 | -31.8 | 176.6 | 74.5 | 0 | 0 | 0 | 0 | 113 | S79 F80 | S79-S83 WeakPolarHBondContact O-CB 3.42Å; S79-S83 PolarHBondContact O-N 2.75Å; S79-S83 PolarHBondContact O-OG 3.33Å; F80-S83 WeakPolarHBondContact CA-OG 3.34Å; F80-S83 PolarHBondContact O-N 3.31Å; F80-S83 PolarHBondContact O-OG 2.72Å |
| 84 | Q | 72.3 | Confident | 84.4 | Confident | 141 Ų | 141 | 113 Ų | 113 | 66% | 0.659 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -86.2 | -25.4 | 176.6 | -174.1 | 165 | 90.4 | 0 | 0 | 112.9 | F80 Y81 L82 | F80-Q84 WeakPolarHBondContact O-CB 3.42Å; F80-Q84 PolarHBondContact O-N 2.81Å; Y81-Q84 PolarHBondContact O-N 3.45Å; L82-Q84 PolarHBondContact O-N 2.61Å |
| 85 | T | 71.4 | Confident | 84.5 | Confident | 65 Ų | 65 | 112.8 Ų | 112.8 | 40% | 0.399 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -86.5 | -27.8 | -175.7 | -61 | 0 | 0 | 0 | 0 | 112.5 | Y81 L82 | Y81-T85 HydrophobicContact CE1-CG2 4.42Å; Y81-T85 WeakPolarHBondContact CE1-OG1 3.42Å; Y81-T85 WeakPolarHBondContact O-CB 3.43Å; Y81-T85 PolarHBondContact O-N 2.95Å; Y81-T85 PolarHBondContact O-OG1 3.34Å; L82-T85 PolarHBondContact O-N 3.37Å; L82-T85 VanDerWaalsContact O-N 3.14Å |
| 86 | R | 64.1 | Low | 84.7 | Confident | 214 Ų | 214 | 112.4 Ų | 112.4 | 81% | 0.808 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -147 | 102.7 | 178.5 | -66.4 | -168.1 | -179.8 | -159.8 | -1.2 | 113.5 | L82 | L82-R86 PolarHBondContact O-N 2.96Š|
| 87 | M | 62.5 | Low | 84.7 | Confident | 128 Ų | 128 | 109.5 Ų | 109.5 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | | | | -157.9 | 118.4 | 113.6 | -154.3 | 147.7 | 71.1 | 0 | 0 | 108.9 | S89 E92 | M87-S89 PolarHBondContact O-N 2.88Å; M87-E92 HydrophobicContact CE-CB 4.18Å; M87-E92 HydrophobicContact CE-CG 3.93Å; M87-E92 HydrophobicContact CG-CB 3.62Å; M87-E92 HydrophobicContact CG-CG 4.2Å; M87-E92 HydrophobicContact SD-CB 3.62Å; M87-E92 HydrophobicContact SD-CG 3.47Å; M87-E92 WeakPolarHBondContact SD-CG 3.3Å |
| 88 | D | 75.9 | Confident | 84.8 | Confident | 92 Ų | 92 | 106.1 Ų | 106.1 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | | | trans | -74.3 | 110.2 | 160.4 | -175.3 | -19.4 | 0 | 0 | 0 | 105.4 | D90 I91 E92 | D88-D90 PolarHBondContact O-N 2.79Å; D88-D90 VanDerWaalsContact O-N 3.15Å; D88-D90 PolarHBondContact OD1-N 3.5Å; D88-I91 HydrophobicContact CB-CB 4.15Å; D88-I91 HydrophobicContact CB-CD1 3.82Å; D88-I91 HydrophobicContact CB-CG1 3.88Å; D88-I91 PolarHBondContact O-N 3.26Å; D88-I91 VanDerWaalsContact O-N 3.07Å; D88-E92 PolarHBondContact O-N 2.94Å; D88-E92 VanDerWaalsContact O-N 3.13Å |
| 89 | S | 85.4 | Confident | 84.9 | Confident | 74 Ų | 74 | 105 Ų | 105 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -55.7 | -35.4 | -171.6 | 46.7 | 0 | 0 | 0 | 0 | 111.7 | M87 I91 E92 E93 | M87-S89 PolarHBondContact O-N 2.88Å; S89-I91 VanDerWaalsContact C-N 3.32Å; S89-I91 PolarHBondContact O-N 3.4Å; S89-E92 PolarHBondContact O-N 2.99Å; S89-E93 VanDerWaalsContact O-CB 3.29Å; S89-E93 WeakPolarHBondContact O-CB 3.28Å; S89-E93 PolarHBondContact O-N 2.67Å |
| 90 | D | 89.9 | Confident | 85.1 | Confident | 111 Ų | 111 | 106.3 Ų | 106.3 | 59% | 0.594 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -75.2 | -28.3 | -173.7 | -56.2 | 9.7 | 0 | 0 | 0 | 110.5 | D88 K94 | D88-D90 PolarHBondContact O-N 2.79Å; D88-D90 VanDerWaalsContact O-N 3.15Å; D88-D90 PolarHBondContact OD1-N 3.5Å; D90-K94 WeakPolarHBondContact O-CB 3.23Å; D90-K94 PolarHBondContact O-N 3.18Å |
| 91 | I | 90.1 | Very high | 85.3 | Confident | 102 Ų | 102 | 104.4 Ų | 104.4 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -75.1 | -45.2 | 173.1 | -60.8 | -177.6 | 0 | 0 | 0 | 110.2 | D88 S89 K94 C95 | D88-I91 HydrophobicContact CB-CB 4.15Å; D88-I91 HydrophobicContact CB-CD1 3.82Å; D88-I91 HydrophobicContact CB-CG1 3.88Å; D88-I91 PolarHBondContact O-N 3.26Å; D88-I91 VanDerWaalsContact O-N 3.07Å; S89-I91 VanDerWaalsContact C-N 3.32Å; S89-I91 PolarHBondContact O-N 3.4Å; I91-K94 PolarHBondContact O-N 3.17Å; I91-C95 PolarHBondContact O-N 3.31Å; I91-C95 PolarHBondContact O-SG 3.39Å |
| 92 | E | 91.1 | Very high | 85.2 | Confident | 89 Ų | 89 | 104.2 Ų | 104.2 | 42% | 0.416 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 177.7 | -176.5 | 69.5 | -179.4 | 0 | 0 | 111.5 | M87 D88 S89 K94 C95 Q96 | M87-E92 HydrophobicContact CE-CB 4.18Å; M87-E92 HydrophobicContact CE-CG 3.93Å; M87-E92 HydrophobicContact CG-CB 3.62Å; M87-E92 HydrophobicContact CG-CG 4.2Å; M87-E92 HydrophobicContact SD-CB 3.62Å; M87-E92 HydrophobicContact SD-CG 3.47Å; M87-E92 WeakPolarHBondContact SD-CG 3.3Å; D88-E92 PolarHBondContact O-N 2.94Å; D88-E92 VanDerWaalsContact O-N 3.13Å; S89-E92 PolarHBondContact O-N 2.99Å; E92-K94 PolarHBondContact O-N 3.4Å; E92-C95 CarbonylContact O-C 3.59Å; E92-C95 WeakPolarHBondContact O-CA 3.24Å; E92-C95 WeakPolarHBondContact O-CB 3.3Å; E92-C95 PolarHBondContact O-N 3.03Å; E92-Q96 WeakPolarHBondContact O-CB 3.36Å; E92-Q96 PolarHBondContact O-N 3.02Å |
| 93 | E | 93.5 | Very high | 85.3 | Confident | 134 Ų | 134 | 104.2 Ų | 104.2 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57.2 | -42.2 | 175.2 | -175.6 | -178.4 | 175.6 | 0 | 0 | 110.4 | S89 Q96 N97 | S89-E93 VanDerWaalsContact O-CB 3.29Å; S89-E93 WeakPolarHBondContact O-CB 3.28Å; S89-E93 PolarHBondContact O-N 2.67Å; E93-Q96 PolarHBondContact O-N 2.92Å; E93-N97 WeakPolarHBondContact O-CB 3.19Å; E93-N97 PolarHBondContact O-N 3.46Å |
| 94 | K | 94.7 | Very high | 85.7 | Confident | 158 Ų | 158 | 105.7 Ų | 105.7 | 69% | 0.687 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.9 | -37.6 | 175.5 | -175.4 | 177.6 | -179.7 | -179.1 | 0 | 112.9 | D90 I91 E92 A98 | D90-K94 WeakPolarHBondContact O-CB 3.23Å; D90-K94 PolarHBondContact O-N 3.18Å; I91-K94 PolarHBondContact O-N 3.17Å; E92-K94 PolarHBondContact O-N 3.4Å; K94-A98 VanDerWaalsContact O-CB 3.28Å; K94-A98 WeakPolarHBondContact O-CB 3.44Å; K94-A98 PolarHBondContact O-N 3.38Å |
| 95 | C | 93.1 | Very high | 85.8 | Confident | 61 Ų | 61 | 106.3 Ų | 106.3 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -49.2 | 173.8 | -79.4 | 0 | 0 | 0 | 0 | 111.3 | I91 E92 N97 A98 I99 | I91-C95 PolarHBondContact O-N 3.31Å; I91-C95 PolarHBondContact O-SG 3.39Å; E92-C95 CarbonylContact O-C 3.59Å; E92-C95 WeakPolarHBondContact O-CA 3.24Å; E92-C95 WeakPolarHBondContact O-CB 3.3Å; E92-C95 PolarHBondContact O-N 3.03Å; C95-N97 PolarHBondContact O-N 3.39Å; C95-A98 PolarHBondContact O-N 2.86Å; C95-I99 VanDerWaalsContact O-CG1 3.3Å; C95-I99 WeakPolarHBondContact O-CG1 3.39Å; C95-I99 PolarHBondContact O-N 3.32Å |
| 96 | Q | 95.4 | Very high | 85.4 | Confident | 84 Ų | 84 | 105 Ų | 105 | 39% | 0.393 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 176.8 | -178.9 | 56 | 29.3 | 0 | 0 | 111.6 | E92 E93 A98 I99 E100 | E92-Q96 WeakPolarHBondContact O-CB 3.36Å; E92-Q96 PolarHBondContact O-N 3.02Å; E93-Q96 PolarHBondContact O-N 2.92Å; Q96-A98 VanDerWaalsContact C-N 3.35Å; Q96-A98 PolarHBondContact O-N 3.3Å; Q96-I99 WeakPolarHBondContact O-CB 3.5Å; Q96-I99 PolarHBondContact O-N 3.32Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.48Å; Q96-E100 PolarHBondContact NE2-OE1 3.5Å; Q96-E100 WeakPolarHBondContact O-CG 3.43Å; Q96-E100 PolarHBondContact O-N 3.25Å |
| 97 | N | 94.1 | Very high | 85.4 | Confident | 69 Ų | 69 | 99.6 Ų | 99.6 | 37% | 0.369 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 175.4 | -165.1 | -80.4 | 0 | 0 | 0 | 111.9 | E93 C95 E100 Q101 | E93-N97 WeakPolarHBondContact O-CB 3.19Å; E93-N97 PolarHBondContact O-N 3.46Å; C95-N97 PolarHBondContact O-N 3.39Å; N97-E100 PolarHBondContact O-N 3.33Å; N97-Q101 VanDerWaalsContact O-CB 3.3Å; N97-Q101 WeakPolarHBondContact O-CB 3.5Å; N97-Q101 VanDerWaalsContact O-CG 3.24Å; N97-Q101 WeakPolarHBondContact O-CG 3.13Å; N97-Q101 PolarHBondContact O-N 3.29Å; N97-Q101 PolarHBondContact OD1-NE2 2.86Å |
| 98 | A | 93.2 | Very high | 85.6 | Confident | 57 Ų | 57 | 98.8 Ų | 98.8 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | K94 C95 Q96 F102 | K94-A98 VanDerWaalsContact O-CB 3.28Å; K94-A98 WeakPolarHBondContact O-CB 3.44Å; K94-A98 PolarHBondContact O-N 3.38Å; C95-A98 PolarHBondContact O-N 2.86Å; Q96-A98 VanDerWaalsContact C-N 3.35Å; Q96-A98 PolarHBondContact O-N 3.3Å; A98-F102 WeakPolarHBondContact O-CB 3.34Å; A98-F102 PolarHBondContact O-N 3.45Å |
| 99 | I | 92.1 | Very high | 84.7 | Confident | 83 Ų | 83 | 100.4 Ų | 100.4 | 43% | 0.426 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -50.3 | 173 | -70.3 | 164.4 | 0 | 0 | 0 | 110.2 | C95 Q96 Q101 F102 F103 | C95-I99 VanDerWaalsContact O-CG1 3.3Å; C95-I99 WeakPolarHBondContact O-CG1 3.39Å; C95-I99 PolarHBondContact O-N 3.32Å; Q96-I99 WeakPolarHBondContact O-CB 3.5Å; Q96-I99 PolarHBondContact O-N 3.32Å; I99-Q101 PolarHBondContact O-N 3.32Å; I99-F102 WeakPolarHBondContact O-CB 3.41Å; I99-F102 PolarHBondContact O-N 3.47Å; I99-F102 VanDerWaalsContact O-N 3.15Å; I99-F103 HydrophobicContact CG2-CD2 3.82Å; I99-F103 HydrophobicContact CG2-CE2 3.84Å; I99-F103 VanDerWaalsContact O-CD2 3.27Å; I99-F103 WeakPolarHBondContact O-CD2 3.46Å; I99-F103 PolarHBondContact O-N 3.15Å |
| 100 | E | 91.9 | Very high | 83.6 | Confident | 95 Ų | 95 | 101.2 Ų | 101.2 | 44% | 0.444 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 177.6 | -74.1 | 171 | -165.9 | 0 | 0 | 112.1 | Q96 N97 F102 F103 T104 | Q96-E100 WeakPolarHBondContact CG-OE1 3.48Å; Q96-E100 PolarHBondContact NE2-OE1 3.5Å; Q96-E100 WeakPolarHBondContact O-CG 3.43Å; Q96-E100 PolarHBondContact O-N 3.25Å; N97-E100 PolarHBondContact O-N 3.33Å; E100-F102 VanDerWaalsContact C-N 3.3Å; E100-F102 PolarHBondContact O-N 3.47Å; E100-F103 PolarHBondContact O-N 3.47Å; E100-T104 WeakPolarHBondContact O-CB 3.15Å; E100-T104 PolarHBondContact O-N 2.69Å; E100-T104 PolarHBondContact O-OG1 2.96Å |
| 101 | Q | 90.8 | Very high | 82.2 | Confident | 84 Ų | 84 | 99.2 Ų | 99.2 | 39% | 0.393 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 174.2 | -77.2 | -170 | 44.4 | 0 | 0 | 112 | N97 I99 K105 | N97-Q101 VanDerWaalsContact O-CB 3.3Å; N97-Q101 WeakPolarHBondContact O-CB 3.5Å; N97-Q101 VanDerWaalsContact O-CG 3.24Å; N97-Q101 WeakPolarHBondContact O-CG 3.13Å; N97-Q101 PolarHBondContact O-N 3.29Å; N97-Q101 PolarHBondContact OD1-NE2 2.86Å; I99-Q101 PolarHBondContact O-N 3.32Å; Q101-K105 HydrophobicContact CB-CD 4.27Å; Q101-K105 WeakPolarHBondContact O-CB 3.47Å; Q101-K105 VanDerWaalsContact O-CG 3.23Å; Q101-K105 WeakPolarHBondContact O-CG 3.28Å; Q101-K105 PolarHBondContact O-N 2.83Å |
| 102 | F | 86.8 | Confident | 80.8 | Confident | 146 Ų | 146 | 100.3 Ų | 100.3 | 64% | 0.64 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.6 | -51.9 | 176.5 | 177.8 | -96.6 | 0 | 0 | 0 | 111.4 | A98 I99 E100 T104 G106 | A98-F102 WeakPolarHBondContact O-CB 3.34Å; A98-F102 PolarHBondContact O-N 3.45Å; I99-F102 WeakPolarHBondContact O-CB 3.41Å; I99-F102 PolarHBondContact O-N 3.47Å; I99-F102 VanDerWaalsContact O-N 3.15Å; E100-F102 VanDerWaalsContact C-N 3.3Å; E100-F102 PolarHBondContact O-N 3.47Å; F102-T104 VanDerWaalsContact C-N 3.3Å; F102-T104 PolarHBondContact O-N 3.42Å; F102-G106 PolarHBondContact O-N 2.94Å |
| 103 | F | 85.4 | Confident | 79.1 | Confident | 114 Ų | 114 | 107.5 Ų | 107.5 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.5 | -22.3 | 179.9 | -73.3 | -68.2 | 0 | 0 | 0 | 114.1 | I99 E100 I108 | I99-F103 HydrophobicContact CG2-CD2 3.82Å; I99-F103 HydrophobicContact CG2-CE2 3.84Å; I99-F103 VanDerWaalsContact O-CD2 3.27Å; I99-F103 WeakPolarHBondContact O-CD2 3.46Å; I99-F103 PolarHBondContact O-N 3.15Å; E100-F103 PolarHBondContact O-N 3.47Å; F103-I108 HydrophobicContact CD1-CD1 4.07Å; F103-I108 HydrophobicContact CD1-CG1 4.28Å |
| 104 | T | 85.4 | Confident | 77.6 | Confident | 118 Ų | 118 | 103.4 Ų | 103.4 | 72% | 0.724 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -88.4 | -32.3 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 113.1 | E100 F102 | E100-T104 WeakPolarHBondContact O-CB 3.15Å; E100-T104 PolarHBondContact O-N 2.69Å; E100-T104 PolarHBondContact O-OG1 2.96Å; F102-T104 VanDerWaalsContact C-N 3.3Å; F102-T104 PolarHBondContact O-N 3.42Å |
| 105 | K | 74.8 | Confident | 76 | Confident | 154 Ų | 154 | 99.7 Ų | 99.7 | 67% | 0.67 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -99.5 | -23.6 | -174.1 | -62.2 | 174.3 | 179.7 | -179.8 | 0 | 113.8 | Q101 | Q101-K105 HydrophobicContact CB-CD 4.27Å; Q101-K105 WeakPolarHBondContact O-CB 3.47Å; Q101-K105 VanDerWaalsContact O-CG 3.23Å; Q101-K105 WeakPolarHBondContact O-CG 3.28Å; Q101-K105 PolarHBondContact O-N 2.83Å |
| 106 | G | 63.9 | Low | 74.3 | Confident | 38 Ų | 38 | 102.6 Ų | 102.6 | 39% | 0.392 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -79.3 | 137.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F102 I108 | F102-G106 PolarHBondContact O-N 2.94Å; G106-I108 PolarHBondContact O-N 2.6Å |
| 107 | A | 64.1 | Low | 72.2 | Confident | 100 Ų | 100 | 104.6 Ų | 104.6 | 83% | 0.826 | 59% | 0.591 | S | S | * | * | | | trans | -60.7 | 99.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | V109 | A107-V109 PolarHBondContact O-N 2.76Š|
| 108 | I | 66.1 | Low | 70.3 | Confident | 112 Ų | 112 | 107.7 Ų | 107.7 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | | | trans | -54.1 | 112.1 | 173 | -58.2 | 174.5 | 0 | 0 | 0 | 104.7 | F103 G106 P110 | F103-I108 HydrophobicContact CD1-CD1 4.07Å; F103-I108 HydrophobicContact CD1-CG1 4.28Å; G106-I108 PolarHBondContact O-N 2.6Å; I108-P110 VanDerWaalsContact O-CD 3.29Å; I108-P110 WeakPolarHBondContact O-CD 3.35Å |
| 109 | V | 56.7 | Low | 68.2 | Low | 125 Ų | 125 | 114.3 Ų | 114.3 | 76% | 0.758 | 63% | 0.626 | S | S | * | * | | | trans | -54.4 | 114.6 | 175.5 | 175.9 | 0 | 0 | 0 | 0 | 104.7 | A107 S111 | A107-V109 PolarHBondContact O-N 2.76Å; V109-S111 PolarHBondContact O-N 2.64Å |
| 110 | P | 63 | Low | 65.9 | Low | 92 Ų | 92 | 121.8 Ų | 121.8 | 60% | 0.597 | 65% | 0.649 | S | S | * | * | | | trans | -56 | 136.6 | -176.4 | 22.1 | -31.8 | 0 | 0 | 0 | 106.8 | I108 A114 | I108-P110 VanDerWaalsContact O-CD 3.29Å; I108-P110 WeakPolarHBondContact O-CD 3.35Å; P110-A114 HydrophobicContact CB-CB 4.24Å |
| 111 | S | 59.9 | Low | 63.2 | Low | 69 Ų | 69 | 121.8 Ų | 121.8 | 48% | 0.483 | 67% | 0.665 | S | S | . | * | | | trans | -44.3 | 137.9 | 178.1 | 175.7 | 0 | 0 | 0 | 0 | 108.6 | V109 W113 A114 | V109-S111 PolarHBondContact O-N 2.64Å; S111-W113 PolarHBondContact O-N 2.94Å; S111-W113 PolarHBondContact OG-N 3.19Å; S111-A114 VanDerWaalsContact O-CB 3.31Å; S111-A114 WeakPolarHBondContact O-CB 3.36Å; S111-A114 PolarHBondContact O-N 3.43Å |
| 112 | P | 61.5 | Low | 60.9 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 81% | 0.805 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -12.7 | 177.8 | -27.1 | 35.5 | 0 | 0 | 0 | 114.1 | | |
| 113 | W | 55.1 | Low | 58.6 | Low | 241 Ų | 241 | 125.8 Ų | 125.8 | 91% | 0.913 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -2.2 | 177.4 | -55.8 | 98.2 | 0 | 0 | 0 | 114.3 | S111 A115 | S111-W113 PolarHBondContact O-N 2.94Å; S111-W113 PolarHBondContact OG-N 3.19Å; W113-A115 PolarHBondContact O-N 3.45Å |
| 114 | A | 61.2 | Low | 56.6 | Low | 48 Ų | 48 | 126.9 Ų | 126.9 | 40% | 0.397 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -68.9 | 124.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | P110 S111 | P110-A114 HydrophobicContact CB-CB 4.24Å; S111-A114 VanDerWaalsContact O-CB 3.31Å; S111-A114 WeakPolarHBondContact O-CB 3.36Å; S111-A114 PolarHBondContact O-N 3.43Å |
| 115 | A | 61 | Low | 54 | Low | 79 Ų | 79 | 131.4 Ų | 131.4 | 65% | 0.653 | 71% | 0.709 | S | S | * | * | | | trans | -52.9 | 142.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | W113 E117 | W113-A115 PolarHBondContact O-N 3.45Å; A115-E117 PolarHBondContact O-N 3.44Å |
| 116 | P | 57.4 | Low | 51.9 | Low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | | | trans | -59.9 | 103.5 | -174.4 | 22.9 | -33.4 | 0 | 0 | 0 | 110.5 | T118 | P116-T118 PolarHBondContact O-N 3.11Š|
| 117 | E | 51 | Low | 50.7 | Low | 125 Ų | 125 | 142 Ų | 142 | 58% | 0.584 | 75% | 0.745 | S | S | * | * | | | trans | -63.7 | 108 | -180 | -83.7 | -156.5 | 124.4 | 0 | 0 | 109.8 | A115 R119 | A115-E117 PolarHBondContact O-N 3.44Å; E117-R119 HydrophobicContact CB-CG 4.23Å; E117-R119 PolarHBondContact O-N 3.01Å; E117-R119 IonicContact OE1-CZ 3.28Å; E117-R119 IonicContact OE1-NE 2.9Å; E117-R119 PolarHBondContact OE1-NE 3.29Å; E117-R119 IonicContact OE1-NH2 3.4Å; E117-R119 PolarHBondContact OE1-NH2 3.27Å; E117-R119 WeakPolarHBondContact OE2-CD 3.27Å; E117-R119 IonicContact OE2-CZ 3.58Å; E117-R119 VanDerWaalsContact OE2-CZ 3.28Å; E117-R119 IonicContact OE2-NE 3.68Å; E117-R119 PolarHBondContact OE2-NE 2.79Å; E117-R119 IonicContact OE2-NH2 2.83Å; E117-R119 PolarHBondContact OE2-NH2 3.45Å |
| 118 | T | 54.4 | Low | 49.2 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 83% | 0.828 | 74% | 0.742 | S | S | * | * | | | trans | -74.1 | 55.4 | 168.6 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | P116 R120 | P116-T118 PolarHBondContact O-N 3.11Å; T118-R120 VanDerWaalsContact C-N 3.27Å; T118-R120 PolarHBondContact O-N 2.79Å |
| 119 | R | 49.7 | Very low | 48.3 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | trans | -73.3 | 83.2 | 173.2 | -80.1 | -172.5 | -171.8 | -168.7 | 14.1 | 110.1 | E117 A121 | E117-R119 HydrophobicContact CB-CG 4.23Å; E117-R119 PolarHBondContact O-N 3.01Å; E117-R119 IonicContact OE1-CZ 3.28Å; E117-R119 IonicContact OE1-NE 2.9Å; E117-R119 PolarHBondContact OE1-NE 3.29Å; E117-R119 IonicContact OE1-NH2 3.4Å; E117-R119 PolarHBondContact OE1-NH2 3.27Å; E117-R119 WeakPolarHBondContact OE2-CD 3.27Å; E117-R119 IonicContact OE2-CZ 3.58Å; E117-R119 VanDerWaalsContact OE2-CZ 3.28Å; E117-R119 IonicContact OE2-NE 3.68Å; E117-R119 PolarHBondContact OE2-NE 2.79Å; E117-R119 IonicContact OE2-NH2 2.83Å; E117-R119 PolarHBondContact OE2-NH2 3.45Å; R119-A121 PolarHBondContact O-N 3.22Å |
| 120 | R | 42.8 | Very low | 47 | Very low | 241 Ų | 241 | 145.3 Ų | 145.3 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | | | trans | -54.9 | 123 | 156.8 | -70.1 | -106.1 | -157.6 | 166.8 | 6.6 | 108.3 | T118 T122 | T118-R120 VanDerWaalsContact C-N 3.27Å; T118-R120 PolarHBondContact O-N 2.79Å; R120-T122 PolarHBondContact O-N 3.45Å |
| 121 | A | 37.1 | Very low | 45.6 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | -64 | 132.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R119 | R119-A121 PolarHBondContact O-N 3.22Š|
| 122 | T | 42.3 | Very low | 44.7 | Very low | 120 Ų | 120 | 151.3 Ų | 151.3 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | 26.9 | 112 | 158.6 | -42.1 | 0 | 0 | 0 | 0 | 118.8 | R120 | R120-T122 PolarHBondContact O-N 3.45Š|
| 123 | H | 36.8 | Very low | 43.5 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | | | trans | -140.6 | 132.5 | 148 | -133.9 | -89.1 | 0 | 0 | 0 | 111.9 | | |
| 124 | L | 44.3 | Very low | 42.8 | Very low | 138 Ų | 138 | 145 Ų | 145 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | | | trans | -86.7 | 161 | -175.1 | -76.6 | 150.1 | 0 | 0 | 0 | 112.8 | | |
| 125 | Y | 30.1 | Very low | 41.7 | Very low | 212 Ų | 212 | 147.9 Ų | 147.9 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | trans | 67.3 | 100.6 | 157.2 | -91.3 | -76 | 0 | 0 | 0 | 119.9 | | |
| 126 | K | 32.3 | Very low | 40.9 | Very low | 201 Ų | 201 | 152.6 Ų | 152.6 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | | 168.9 | 160.6 | 103.1 | -92.8 | 175.4 | -178 | 178.2 | 0 | 113.4 | | |
| 127 | K | 37.9 | Very low | 40.2 | Very low | 214 Ų | 214 | 155.4 Ų | 155.4 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | | | trans | -69.8 | 138.3 | -175.7 | -58.3 | 168.7 | 176.1 | 178.3 | 0 | 113.5 | | |
| 128 | S | 31.7 | Very low | 40.1 | Very low | 112 Ų | 112 | 152.9 Ų | 152.9 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | | -177.7 | 141.6 | 129.5 | -170.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 129 | P | 47.3 | Very low | 39.8 | Very low | 98 Ų | 98 | 155 Ų | 155 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | trans | -87.7 | 176.5 | 175.8 | 35 | -34 | 0 | 0 | 0 | 113.6 | | |
| 130 | F | 30.9 | Very low | 40.1 | Very low | 196 Ų | 196 | 154.3 Ų | 154.3 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | 77.2 | 96.6 | 175.4 | -57.7 | -78.3 | 0 | 0 | 0 | 118.1 | | |
| 131 | S | 33.2 | Very low | 40.8 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | | -152.1 | 105.8 | 118.8 | -162.4 | 0 | 0 | 0 | 0 | 109.4 | A133 | S131-A133 PolarHBondContact O-N 3.45Š|
| 132 | E | 40.6 | Very low | 41.8 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | -82.7 | 104.4 | 171.5 | -177.3 | 172.6 | -167.2 | 0 | 0 | 107.5 | I134 | E132-I134 HydrophobicContact CG-CG1 4.34Š|
| 133 | A | 35.6 | Very low | 42.6 | Very low | 87 Ų | 87 | 149.8 Ų | 149.8 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | | | trans | -117.3 | 95 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | S131 S135 | S131-A133 PolarHBondContact O-N 3.45Å; A133-S135 VanDerWaalsContact C-N 3.33Å; A133-S135 PolarHBondContact O-N 3.21Å |
| 134 | I | 40.9 | Very low | 43.7 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | trans | -66 | 96.5 | 172.2 | -60 | 168.2 | 0 | 0 | 0 | 106.9 | E132 | E132-I134 HydrophobicContact CG-CG1 4.34Š|
| 135 | S | 39.1 | Very low | 44.4 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -89.6 | 99.3 | 160.3 | -175.5 | 0 | 0 | 0 | 0 | 106.5 | A133 E137 | A133-S135 VanDerWaalsContact C-N 3.33Å; A133-S135 PolarHBondContact O-N 3.21Å; S135-E137 VanDerWaalsContact C-N 3.32Å; S135-E137 PolarHBondContact O-N 3.49Å |
| 136 | E | 43.4 | Very low | 46.7 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -62.5 | 91 | 174.4 | -170.7 | 171.2 | -151.7 | 0 | 0 | 108.9 | S138 | E136-S138 PolarHBondContact O-N 3.06Š|
| 137 | E | 42.7 | Very low | 48.8 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | | | trans | -74 | 100.9 | 179.1 | -172.3 | 167.6 | -156.7 | 0 | 0 | 108.8 | S135 E139 | S135-E137 VanDerWaalsContact C-N 3.32Å; S135-E137 PolarHBondContact O-N 3.49Å; E137-E139 PolarHBondContact O-N 2.94Å |
| 138 | S | 48.6 | Very low | 50.9 | Low | 71 Ų | 71 | 133.6 Ų | 133.6 | 50% | 0.497 | 76% | 0.758 | S | S | . | * | | | trans | -51.8 | 126.4 | -179.4 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | E136 K140 | E136-S138 PolarHBondContact O-N 3.06Å; S138-K140 PolarHBondContact O-N 2.9Å; S138-K140 WeakPolarHBondContact OG-CE 3.39Å |
| 139 | E | 47.6 | Very low | 53.2 | Low | 180 Ų | 180 | 135.4 Ų | 135.4 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | -64.6 | 93.9 | 174.9 | -170.3 | 173.1 | -149.1 | 0 | 0 | 110.2 | E137 I141 | E137-E139 PolarHBondContact O-N 2.94Å; E139-I141 PolarHBondContact O-N 3.31Å |
| 140 | K | 56.6 | Low | 55 | Low | 180 Ų | 180 | 136 Ų | 136 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | | | trans | -81.4 | 83.7 | -176.8 | -74.3 | 172.7 | -171.7 | 169.6 | 0 | 110.5 | S138 S142 | S138-K140 PolarHBondContact O-N 2.9Å; S138-K140 WeakPolarHBondContact OG-CE 3.39Å; K140-S142 PolarHBondContact O-N 2.79Å |
| 141 | I | 57.6 | Low | 57.6 | Low | 134 Ų | 134 | 131.3 Ų | 131.3 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | | | trans | -56.4 | 110.6 | 166 | -58.3 | 172.4 | 0 | 0 | 0 | 108.1 | E139 V143 | E139-I141 PolarHBondContact O-N 3.31Å; I141-V143 HydrophobicContact CG2-CG2 3.91Å; I141-V143 PolarHBondContact O-N 2.75Å; I141-V143 VanDerWaalsContact O-N 3.08Å |
| 142 | S | 59.4 | Low | 60.3 | Low | 124 Ų | 124 | 130 Ų | 130 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | | | trans | -75.7 | 97.8 | 177.4 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | K140 | K140-S142 PolarHBondContact O-N 2.79Š|
| 143 | V | 58 | Low | 62.2 | Low | 104 Ų | 104 | 131.1 Ų | 131.1 | 63% | 0.63 | 75% | 0.747 | S | S | * | * | | | trans | -96.9 | 119.9 | 173 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | I141 C145 | I141-V143 HydrophobicContact CG2-CG2 3.91Å; I141-V143 PolarHBondContact O-N 2.75Å; I141-V143 VanDerWaalsContact O-N 3.08Å; V143-C145 PolarHBondContact O-N 3.17Å |
| 144 | A | 59.3 | Low | 64.5 | Low | 107 Ų | 107 | 131.8 Ų | 131.8 | 88% | 0.884 | 75% | 0.752 | S | S | * | * | | | trans | -71.4 | 97.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 145 | C | 60 | Low | 66.7 | Low | 93 Ų | 93 | 129 Ų | 129 | 63% | 0.628 | 74% | 0.735 | S | S | * | * | | | trans | -101.9 | 124.7 | 177 | 51.4 | 0 | 0 | 0 | 0 | 111.2 | V143 T147 | V143-C145 PolarHBondContact O-N 3.17Å; C145-T147 PolarHBondContact O-N 3.33Å |
| 146 | Q | 77.4 | Confident | 68.9 | Low | 187 Ų | 187 | 128.1 Ų | 128.1 | 87% | 0.874 | 72% | 0.722 | S | S | * | * | | | trans | -76.2 | 110.9 | 171.4 | -177.6 | 177.8 | 0.7 | 0 | 0 | 109 | | |
| 147 | T | 77.8 | Confident | 70.9 | Confident | 103 Ų | 103 | 123.8 Ų | 123.8 | 63% | 0.632 | 70% | 0.704 | S | S | * | * | | | trans | -95.9 | 115.7 | 177.5 | 46.8 | 0 | 0 | 0 | 0 | 110.9 | C145 L149 | C145-T147 PolarHBondContact O-N 3.33Å; T147-L149 PolarHBondContact O-N 3.11Å |
| 148 | T | 82.1 | Confident | 72.9 | Confident | 128 Ų | 128 | 122.8 Ų | 122.8 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | | | trans | -83.4 | 107.7 | 170.9 | -53.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 149 | L | 80.3 | Confident | 74.8 | Confident | 150 Ų | 150 | 127.3 Ų | 127.3 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | | | trans | -96.9 | 112.8 | 174.8 | -60.3 | 179.7 | 0 | 0 | 0 | 110 | T147 | T147-L149 PolarHBondContact O-N 3.11Š|
| 150 | S | 84.1 | Confident | 76.7 | Confident | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | | | trans | -92.1 | 113.1 | 170.6 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 151 | L | 86.5 | Confident | 78 | Confident | 96 Ų | 96 | 118.3 Ų | 118.3 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | | | trans | -76.5 | 145 | 171.8 | -62.7 | 172.9 | 0 | 0 | 0 | 110.3 | F155 L157 | L151-F155 HydrophobicContact CB-CB 4.2Å; L151-F155 HydrophobicContact CB-CD1 4.27Å; L151-F155 HydrophobicContact CB-CG 4.35Å; L151-F155 HydrophobicContact CD1-CD1 3.89Å; L151-F155 HydrophobicContact CD1-CE1 4.18Å; L151-F155 HydrophobicContact CD2-CD1 4.02Å; L151-F155 HydrophobicContact CD2-CE1 4.05Å; L151-F155 HydrophobicContact CD2-CG 4.37Å; L151-F155 HydrophobicContact CD2-CZ 4.42Å; L151-F155 HydrophobicContact CG-CD1 4.29Å; L151-L157 HydrophobicContact CD1-CD1 3.73Å; L151-L157 HydrophobicContact CD1-CD2 4.01Å; L151-L157 HydrophobicContact CD1-CG 3.97Å |
| 152 | P | 88.1 | Confident | 79.2 | Confident | 91 Ų | 91 | 113.3 Ų | 113.3 | 59% | 0.591 | 66% | 0.657 | S | S | * | * | | | trans | -55.3 | 146 | 172 | -25.3 | 33.4 | 0 | 0 | 0 | 112.1 | A154 F155 | P152-A154 PolarHBondContact O-N 3.03Å; P152-F155 HydrophobicContact CB-CB 4.24Å; P152-F155 HydrophobicContact CG-CB 4.46Å; P152-F155 WeakPolarHBondContact O-CB 3.47Å; P152-F155 PolarHBondContact O-N 3.11Å |
| 153 | L | 80.8 | Confident | 80.2 | Confident | 194 Ų | 194 | 114.9 Ų | 114.9 | 100% | 1.016 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -21.1 | -176.1 | -157.3 | 80.7 | 0 | 0 | 0 | 114.2 | | |
| 154 | A | 83.7 | Confident | 81 | Confident | 101 Ų | 101 | 118.8 Ų | 118.8 | 84% | 0.835 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 17.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | P152 D156 | P152-A154 PolarHBondContact O-N 3.03Å; A154-D156 PolarHBondContact O-N 3.38Å |
| 155 | F | 86.9 | Confident | 81.5 | Confident | 86 Ų | 86 | 122.9 Ų | 122.9 | 38% | 0.377 | 65% | 0.649 | S | S | . | * | | | trans | -81.1 | 108.1 | 178.9 | -173.1 | -89.8 | 0 | 0 | 0 | 110.7 | L151 P152 L157 L160 | L151-F155 HydrophobicContact CB-CB 4.2Å; L151-F155 HydrophobicContact CB-CD1 4.27Å; L151-F155 HydrophobicContact CB-CG 4.35Å; L151-F155 HydrophobicContact CD1-CD1 3.89Å; L151-F155 HydrophobicContact CD1-CE1 4.18Å; L151-F155 HydrophobicContact CD2-CD1 4.02Å; L151-F155 HydrophobicContact CD2-CE1 4.05Å; L151-F155 HydrophobicContact CD2-CG 4.37Å; L151-F155 HydrophobicContact CD2-CZ 4.42Å; L151-F155 HydrophobicContact CG-CD1 4.29Å; P152-F155 HydrophobicContact CB-CB 4.24Å; P152-F155 HydrophobicContact CG-CB 4.46Å; P152-F155 WeakPolarHBondContact O-CB 3.47Å; P152-F155 PolarHBondContact O-N 3.11Å; F155-L157 HydrophobicContact CD1-CD2 4.37Å; F155-L157 HydrophobicContact CD1-CG 3.97Å; F155-L157 HydrophobicContact CE1-CD2 3.89Å; F155-L157 HydrophobicContact CE1-CG 3.96Å; F155-L157 PolarHBondContact O-N 2.76Å; F155-L157 VanDerWaalsContact O-N 3.17Å; F155-L160 HydrophobicContact CE1-CD2 4.29Å; F155-L160 HydrophobicContact CZ-CD2 3.72Å |
| 156 | D | 85.6 | Confident | 82 | Confident | 89 Ų | 89 | 128.3 Ų | 128.3 | 48% | 0.476 | 66% | 0.656 | S | S | . | * | | | trans | -81.7 | 92.1 | -178.9 | -171.3 | -13.4 | 0 | 0 | 0 | 111 | A154 E158 K159 L160 | A154-D156 PolarHBondContact O-N 3.38Å; D156-E158 VanDerWaalsContact C-N 3.29Å; D156-E158 PolarHBondContact OD1-N 3.34Å; D156-E158 VanDerWaalsContact OD1-N 3.13Å; D156-K159 HydrophobicContact CB-CB 4Å; D156-K159 PolarHBondContact OD1-N 2.95Å; D156-K159 VanDerWaalsContact OD2-CB 3.32Å; D156-K159 WeakPolarHBondContact OD2-CB 3.29Å; D156-L160 PolarHBondContact O-N 3.18Å |
| 157 | L | 86.8 | Confident | 81 | Confident | 88 Ų | 88 | 129 Ų | 129 | 46% | 0.461 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -61.8 | -35 | 174 | -85.3 | 160 | 0 | 0 | 0 | 112.5 | L151 F155 L160 L161 | L151-L157 HydrophobicContact CD1-CD1 3.73Å; L151-L157 HydrophobicContact CD1-CD2 4.01Å; L151-L157 HydrophobicContact CD1-CG 3.97Å; F155-L157 HydrophobicContact CD1-CD2 4.37Å; F155-L157 HydrophobicContact CD1-CG 3.97Å; F155-L157 HydrophobicContact CE1-CD2 3.89Å; F155-L157 HydrophobicContact CE1-CG 3.96Å; F155-L157 PolarHBondContact O-N 2.76Å; F155-L157 VanDerWaalsContact O-N 3.17Å; L157-L160 PolarHBondContact O-N 2.99Å; L157-L161 HydrophobicContact CD2-CD1 3.91Å; L157-L161 WeakPolarHBondContact O-CB 3.2Å; L157-L161 PolarHBondContact O-N 3.24Å |
| 158 | E | 84.8 | Confident | 79.9 | Confident | 161 Ų | 161 | 132.2 Ų | 132.2 | 75% | 0.752 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.2 | -40.1 | -177 | -172.8 | 176.6 | 171.5 | 0 | 0 | 110.5 | D156 L160 G162 | D156-E158 VanDerWaalsContact C-N 3.29Å; D156-E158 PolarHBondContact OD1-N 3.34Å; D156-E158 VanDerWaalsContact OD1-N 3.13Å; E158-L160 VanDerWaalsContact C-N 3.29Å; E158-L160 PolarHBondContact O-N 3.15Å; E158-G162 WeakPolarHBondContact O-CA 3.4Å; E158-G162 PolarHBondContact O-N 2.78Å |
| 159 | K | 86.9 | Confident | 78.3 | Confident | 167 Ų | 167 | 134 Ų | 134 | 73% | 0.726 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.1 | -30.6 | 172.6 | -178.1 | 176.8 | 178.8 | -177.7 | 0 | 113.8 | D156 | D156-K159 HydrophobicContact CB-CB 4Å; D156-K159 PolarHBondContact OD1-N 2.95Å; D156-K159 VanDerWaalsContact OD2-CB 3.32Å; D156-K159 WeakPolarHBondContact OD2-CB 3.29Å |
| 160 | L | 87.1 | Confident | 76.9 | Confident | 103 Ų | 103 | 130.5 Ų | 130.5 | 54% | 0.539 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -86.1 | -39.8 | -179.5 | -177.4 | 63.7 | 0 | 0 | 0 | 113 | F155 D156 L157 E158 | F155-L160 HydrophobicContact CE1-CD2 4.29Å; F155-L160 HydrophobicContact CZ-CD2 3.72Å; D156-L160 PolarHBondContact O-N 3.18Å; L157-L160 PolarHBondContact O-N 2.99Å; E158-L160 VanDerWaalsContact C-N 3.29Å; E158-L160 PolarHBondContact O-N 3.15Å |
| 161 | L | 85.6 | Confident | 74.8 | Confident | 67 Ų | 67 | 130 Ų | 130 | 35% | 0.351 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -108.1 | -14.3 | -172.4 | -62 | 176.8 | 0 | 0 | 0 | 113.7 | L157 E163 Y164 Y165 | L157-L161 HydrophobicContact CD2-CD1 3.91Å; L157-L161 WeakPolarHBondContact O-CB 3.2Å; L157-L161 PolarHBondContact O-N 3.24Å; L161-E163 PolarHBondContact O-N 3.17Å; L161-Y164 CarbonylContact O-C 3.56Å; L161-Y164 WeakPolarHBondContact O-CA 3.21Å; L161-Y164 WeakPolarHBondContact O-CB 3.4Å; L161-Y164 PolarHBondContact O-N 2.8Å; L161-Y165 HydrophobicContact CB-CD2 3.98Å; L161-Y165 HydrophobicContact CB-CE2 3.9Å; L161-Y165 WeakPolarHBondContact O-CD2 3.49Å; L161-Y165 PolarHBondContact O-N 3.4Å |
| 162 | G | 82.6 | Confident | 73 | Confident | 29 Ų | 29 | 132 Ų | 132 | 30% | 0.299 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -29 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E158 Y164 Y165 | E158-G162 WeakPolarHBondContact O-CA 3.4Å; E158-G162 PolarHBondContact O-N 2.78Å; G162-Y164 VanDerWaalsContact C-N 3.25Å; G162-Y164 PolarHBondContact O-N 3.26Å; G162-Y165 PolarHBondContact O-N 3.09Å |
| 163 | E | 79.7 | Confident | 71.4 | Confident | 157 Ų | 157 | 131.1 Ų | 131.1 | 73% | 0.734 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -30.7 | 171.6 | -63.3 | -172.5 | 174.1 | 0 | 0 | 112.2 | L161 R166 | L161-E163 PolarHBondContact O-N 3.17Å; E163-R166 WeakPolarHBondContact O-CG 3.35Å |
| 164 | Y | 75.5 | Confident | 69.9 | Low | 186 Ų | 186 | 126.9 Ų | 126.9 | 73% | 0.729 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -15.1 | 178 | -55.1 | -79.6 | 0 | 0 | 0 | 113.6 | L161 G162 R166 | L161-Y164 CarbonylContact O-C 3.56Å; L161-Y164 WeakPolarHBondContact O-CA 3.21Å; L161-Y164 WeakPolarHBondContact O-CB 3.4Å; L161-Y164 PolarHBondContact O-N 2.8Å; G162-Y164 VanDerWaalsContact C-N 3.25Å; G162-Y164 PolarHBondContact O-N 3.26Å; Y164-R166 PolarHBondContact O-N 3.26Å |
| 165 | Y | 70.3 | Confident | 68 | Low | 194 Ų | 194 | 129.2 Ų | 129.2 | 76% | 0.761 | 64% | 0.635 | S | S | * | * | | | trans | -79.7 | 13.3 | 171.9 | -86.8 | -75.6 | 0 | 0 | 0 | 113.7 | L161 G162 Y167 | L161-Y165 HydrophobicContact CB-CD2 3.98Å; L161-Y165 HydrophobicContact CB-CE2 3.9Å; L161-Y165 WeakPolarHBondContact O-CD2 3.49Å; L161-Y165 PolarHBondContact O-N 3.4Å; G162-Y165 PolarHBondContact O-N 3.09Å; Y165-Y167 PolarHBondContact O-N 2.87Å |
| 166 | R | 69.8 | Low | 66.2 | Low | 206 Ų | 206 | 132.9 Ų | 132.9 | 78% | 0.777 | 65% | 0.653 | S | S | * | * | | | trans | -75.6 | 110.6 | 170.7 | -65.1 | -91.5 | -97.3 | 148.5 | -0.1 | 107.9 | E163 Y164 E168 | E163-R166 WeakPolarHBondContact O-CG 3.35Å; Y164-R166 PolarHBondContact O-N 3.26Å; R166-E168 VanDerWaalsContact C-N 3.29Å; R166-E168 PolarHBondContact O-N 3.25Å |
| 167 | Y | 55.4 | Low | 64.4 | Low | 202 Ų | 202 | 132.5 Ų | 132.5 | 79% | 0.792 | 66% | 0.658 | S | S | * | * | | | trans | -64.7 | 93.2 | 168.3 | -175.8 | -92.7 | 0 | 0 | 0 | 108.4 | Y165 E169 | Y165-Y167 PolarHBondContact O-N 2.87Å; Y167-E169 HydrophobicContact CD1-CB 4.29Å; Y167-E169 HydrophobicContact CE1-CB 3.9Å; Y167-E169 HydrophobicContact CE1-CG 4.03Å |
| 168 | E | 56.2 | Low | 62.5 | Low | 171 Ų | 171 | 134.3 Ų | 134.3 | 80% | 0.799 | 67% | 0.668 | S | S | * | * | | | trans | -79.9 | 115.2 | 166 | -171.3 | 148.5 | -152.8 | 0 | 0 | 107.3 | R166 A170 | R166-E168 VanDerWaalsContact C-N 3.29Å; R166-E168 PolarHBondContact O-N 3.25Å; E168-A170 PolarHBondContact O-N 3.37Å |
| 169 | E | 48 | Very low | 60.7 | Low | 164 Ų | 164 | 129.3 Ų | 129.3 | 77% | 0.766 | 65% | 0.65 | S | S | * | * | | | trans | -73.5 | 60.1 | -178 | -167.6 | 169.4 | -163.4 | 0 | 0 | 110.4 | Y167 C171 | Y167-E169 HydrophobicContact CD1-CB 4.29Å; Y167-E169 HydrophobicContact CE1-CB 3.9Å; Y167-E169 HydrophobicContact CE1-CG 4.03Å; E169-C171 VanDerWaalsContact C-N 3.26Å; E169-C171 PolarHBondContact O-N 3.45Å |
| 170 | A | 49.9 | Very low | 59 | Low | 78 Ų | 78 | 126.1 Ų | 126.1 | 65% | 0.645 | 65% | 0.649 | S | S | * | * | | | trans | -80.9 | 71.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E168 | E168-A170 PolarHBondContact O-N 3.37Š|
| 171 | C | 40.6 | Very low | 57.4 | Low | 101 Ų | 101 | 125.7 Ų | 125.7 | 68% | 0.682 | 65% | 0.654 | S | S | * | * | | | trans | 67.4 | 120.4 | 153.6 | -54.7 | 0 | 0 | 0 | 0 | 118.6 | E169 A173 | E169-C171 VanDerWaalsContact C-N 3.26Å; E169-C171 PolarHBondContact O-N 3.45Å; C171-A173 HydrophobicContact CB-CB 4.4Å; C171-A173 PolarHBondContact O-N 3.32Å |
| 172 | D | 49.4 | Very low | 56.1 | Low | 136 Ų | 136 | 124.9 Ų | 124.9 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -48 | -15.1 | 166.2 | -82.3 | -57.7 | 0 | 0 | 0 | 116.1 | V174 Q175 | D172-V174 PolarHBondContact O-N 2.83Å; D172-V174 VanDerWaalsContact O-N 3.1Å; D172-Q175 PolarHBondContact O-N 3.23Å; D172-Q175 VanDerWaalsContact O-N 3.07Å |
| 173 | A | 53.6 | Low | 55 | Low | 74 Ų | 74 | 129.1 Ų | 129.1 | 61% | 0.612 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -60 | -23.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C171 | C171-A173 HydrophobicContact CB-CB 4.4Å; C171-A173 PolarHBondContact O-N 3.32Å |
| 174 | V | 49.9 | Very low | 54.3 | Low | 105 Ų | 105 | 131.2 Ų | 131.2 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -81.3 | -27.4 | 178.3 | 177.8 | 0 | 0 | 0 | 0 | 112 | D172 E176 S177 | D172-V174 PolarHBondContact O-N 2.83Å; D172-V174 VanDerWaalsContact O-N 3.1Å; V174-E176 PolarHBondContact O-N 3.13Å; V174-S177 PolarHBondContact O-N 2.98Å |
| 175 | Q | 43.9 | Very low | 53.8 | Low | 150 Ų | 150 | 128.7 Ų | 128.7 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.7 | -30.8 | -170.3 | -164.3 | 167.3 | -70.3 | 0 | 0 | 113.1 | D172 S177 | D172-Q175 PolarHBondContact O-N 3.23Å; D172-Q175 VanDerWaalsContact O-N 3.07Å; Q175-S177 VanDerWaalsContact C-N 3.35Å |
| 176 | E | 48.4 | Very low | 53.5 | Low | 162 Ų | 162 | 126.4 Ų | 126.4 | 76% | 0.757 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.8 | -33.2 | 175.5 | -62.3 | -166.4 | 143.2 | 0 | 0 | 112.5 | V174 L178 S179 | V174-E176 PolarHBondContact O-N 3.13Å; E176-L178 VanDerWaalsContact C-N 3.3Å; E176-L178 PolarHBondContact O-N 3.39Å; E176-S179 PolarHBondContact O-N 3.34Å |
| 177 | S | 48.8 | Very low | 53.3 | Low | 82 Ų | 82 | 122.4 Ų | 122.4 | 57% | 0.573 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.6 | -22.6 | -175.6 | -67.9 | 0 | 0 | 0 | 0 | 114.1 | V174 Q175 S180 | V174-S177 PolarHBondContact O-N 2.98Å; Q175-S177 VanDerWaalsContact C-N 3.35Å; S177-S180 PolarHBondContact O-OG 2.97Å; S177-S180 VanDerWaalsContact O-OG 3.13Å |
| 178 | L | 46 | Very low | 53.3 | Low | 126 Ų | 126 | 121.2 Ų | 121.2 | 66% | 0.66 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -80.6 | -26.7 | 176.7 | -60.6 | -179.9 | 0 | 0 | 0 | 112.4 | E176 S180 S181 | E176-L178 VanDerWaalsContact C-N 3.3Å; E176-L178 PolarHBondContact O-N 3.39Å; L178-S180 VanDerWaalsContact C-N 3.32Å; L178-S180 PolarHBondContact O-N 3.15Å; L178-S181 PolarHBondContact O-N 3.07Å; L178-S181 PolarHBondContact O-OG 2.91Å |
| 179 | S | 47.6 | Very low | 53.3 | Low | 56 Ų | 56 | 119.1 Ų | 119.1 | 39% | 0.392 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -74.2 | -21.2 | -173.9 | -158.4 | 0 | 0 | 0 | 0 | 113.2 | E176 R185 | E176-S179 PolarHBondContact O-N 3.34Å; S179-R185 PolarHBondContact O-NH1 3.18Å; S179-R185 PolarHBondContact O-NH2 2.82Å; S179-R185 PolarHBondContact OG-NH1 3.49Å; S179-R185 PolarHBondContact OG-NH2 2.93Å |
| 180 | S | 51.4 | Low | 53.3 | Low | 99 Ų | 99 | 118.4 Ų | 118.4 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -14.8 | 177.5 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | S177 L178 S182 | S177-S180 PolarHBondContact O-OG 2.97Å; S177-S180 VanDerWaalsContact O-OG 3.13Å; L178-S180 VanDerWaalsContact C-N 3.32Å; L178-S180 PolarHBondContact O-N 3.15Å; S180-S182 PolarHBondContact O-N 2.83Å |
| 181 | S | 53.3 | Low | 53.2 | Low | 94 Ų | 94 | 117.5 Ų | 117.5 | 66% | 0.657 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -4.6 | -173.3 | 72 | 0 | 0 | 0 | 0 | 115.4 | L178 L183 | L178-S181 PolarHBondContact O-N 3.07Å; L178-S181 PolarHBondContact O-OG 2.91Å; S181-L183 PolarHBondContact O-N 3.06Å; S181-L183 VanDerWaalsContact O-N 3.1Å |
| 182 | S | 57.9 | Low | 53.2 | Low | 50 Ų | 50 | 120.7 Ų | 120.7 | 35% | 0.35 | 65% | 0.645 | S | S | . | * | | | trans | -69.1 | 109.8 | -171.7 | -170.6 | 0 | 0 | 0 | 0 | 112.7 | S180 R184 R185 | S180-S182 PolarHBondContact O-N 2.83Å; S182-R184 PolarHBondContact O-N 2.96Å; S182-R185 PolarHBondContact O-N 3.19Å |
| 183 | L | 59.6 | Low | 52.6 | Low | 118 Ų | 118 | 123.2 Ų | 123.2 | 62% | 0.618 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -49.6 | -35.1 | 177 | -171.1 | 70.7 | 0 | 0 | 0 | 112.9 | S181 R185 K186 L187 | S181-L183 PolarHBondContact O-N 3.06Å; S181-L183 VanDerWaalsContact O-N 3.1Å; L183-R185 VanDerWaalsContact C-N 3.33Å; L183-R185 PolarHBondContact O-N 2.87Å; L183-K186 PolarHBondContact O-N 2.7Å; L183-L187 HydrophobicContact CG-CD1 4.46Å; L183-L187 WeakPolarHBondContact O-CG 3.34Å; L183-L187 PolarHBondContact O-N 3.09Å; L183-L187 VanDerWaalsContact O-N 3.12Å |
| 184 | R | 65.7 | Low | 51.9 | Low | 202 Ų | 202 | 124.7 Ų | 124.7 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -57.3 | -40.4 | 175.2 | -85.6 | -173.4 | 173.1 | -176.3 | -1.5 | 113.1 | S182 F188 | S182-R184 PolarHBondContact O-N 2.96Å; R184-F188 WeakPolarHBondContact O-CD2 3.29Å |
| 185 | R | 63.5 | Low | 51.4 | Low | 132 Ų | 132 | 130.4 Ų | 130.4 | 50% | 0.498 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -70.6 | -37.8 | 179.1 | -58.8 | -172.9 | -159.1 | 167.6 | 14.6 | 110.8 | S179 S182 L183 L187 F188 L189 | S179-R185 PolarHBondContact O-NH1 3.18Å; S179-R185 PolarHBondContact O-NH2 2.82Å; S179-R185 PolarHBondContact OG-NH1 3.49Å; S179-R185 PolarHBondContact OG-NH2 2.93Å; S182-R185 PolarHBondContact O-N 3.19Å; L183-R185 VanDerWaalsContact C-N 3.33Å; L183-R185 PolarHBondContact O-N 2.87Å; R185-L187 VanDerWaalsContact C-N 3.32Å; R185-L187 PolarHBondContact O-N 2.83Å; R185-F188 PolarHBondContact O-N 3.38Å; R185-L189 HydrophobicContact CB-CD1 4.27Å; R185-L189 PolarHBondContact O-N 2.96Å |
| 186 | K | 64.6 | Low | 51 | Low | 147 Ų | 147 | 129.1 Ų | 129.1 | 64% | 0.639 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69.8 | -24.5 | -179.3 | -150.8 | 174.6 | 69.4 | 172.1 | 0 | 113.8 | L183 F188 | L183-K186 PolarHBondContact O-N 2.7Å; K186-F188 VanDerWaalsContact C-N 3.3Å; K186-F188 PolarHBondContact O-N 3.27Å |
| 187 | L | 65.1 | Low | 50.3 | Low | 122 Ų | 122 | 126.9 Ų | 126.9 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -10.9 | 173.8 | -69.9 | 173 | 0 | 0 | 0 | 114.4 | L183 R185 | L183-L187 HydrophobicContact CG-CD1 4.46Å; L183-L187 WeakPolarHBondContact O-CG 3.34Å; L183-L187 PolarHBondContact O-N 3.09Å; L183-L187 VanDerWaalsContact O-N 3.12Å; R185-L187 VanDerWaalsContact C-N 3.32Å; R185-L187 PolarHBondContact O-N 2.83Å |
| 188 | F | 56.8 | Low | 49.6 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -128.7 | 15.6 | -174.1 | -59.7 | -58.9 | 0 | 0 | 0 | 114.3 | R184 R185 K186 | R184-F188 WeakPolarHBondContact O-CD2 3.29Å; R185-F188 PolarHBondContact O-N 3.38Å; K186-F188 VanDerWaalsContact C-N 3.3Å; K186-F188 PolarHBondContact O-N 3.27Å |
| 189 | L | 54.4 | Low | 48.8 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 67% | 0.665 | 70% | 0.696 | S | S | * | * | | | trans | -120.2 | -8.6 | -179.4 | -84 | 164.9 | 0 | 0 | 0 | 115.2 | R185 G191 | R185-L189 HydrophobicContact CB-CD1 4.27Å; R185-L189 PolarHBondContact O-N 2.96Å; L189-G191 PolarHBondContact O-N 2.85Å |
| 190 | D | 49.5 | Very low | 48.3 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 69.8 | 174.3 | -71.3 | -23.8 | 0 | 0 | 0 | 110.7 | | |
| 191 | G | 48.1 | Very low | 47.4 | Very low | 59 Ų | 59 | 133.2 Ų | 133.2 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.5 | -10.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | L189 | L189-G191 PolarHBondContact O-N 2.85Š|
| 192 | Q | 39.7 | Very low | 46.7 | Very low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | | | trans | -120.5 | 85.2 | 174.4 | -85.7 | 88.8 | 1.9 | 0 | 0 | 111.8 | S194 | Q192-S194 PolarHBondContact O-N 3.5Š|
| 193 | F | 38 | Very low | 45.8 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | | | trans | -69.3 | 111.6 | 150.3 | -77.6 | -88.3 | 0 | 0 | 0 | 108.1 | | |
| 194 | S | 37.8 | Very low | 44.7 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | -145.4 | 113.5 | 166.7 | -77.8 | 0 | 0 | 0 | 0 | 110.2 | Q192 S196 | Q192-S194 PolarHBondContact O-N 3.5Å; S194-S196 PolarHBondContact O-N 2.85Å |
| 195 | Y | 39.3 | Very low | 43.2 | Very low | 226 Ų | 226 | 133.9 Ų | 133.9 | 89% | 0.886 | 75% | 0.754 | S | S | * | * | | | trans | -57.6 | 121.6 | 171.6 | -50.4 | -96.3 | 0 | 0 | 0 | 109.6 | | |
| 196 | S | 35.4 | Very low | 42 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | -147.6 | 123.9 | 156.6 | -98.8 | 0 | 0 | 0 | 0 | 110.5 | S194 | S194-S196 PolarHBondContact O-N 2.85Š|
| 197 | S | 33.3 | Very low | 40.4 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -61 | 154.9 | 169 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | D199 | S197-D199 PolarHBondContact O-N 2.79Š|
| 198 | S | 33.9 | Very low | 38.8 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | -43.1 | 134.6 | 172.7 | -49.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 199 | D | 30.9 | Very low | 37.5 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | trans | -153.2 | 150.6 | 130.4 | -119.3 | -24.6 | 0 | 0 | 0 | 112.1 | S197 | S197-D199 PolarHBondContact O-N 2.79Š|
| 200 | S | 37.3 | Very low | 36.5 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | trans | -79.7 | 135.7 | -172.4 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 201 | S | 31.4 | Very low | 35.5 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -175.3 | 130.3 | 141.3 | 36.7 | 0 | 0 | 0 | 0 | 113 | | |
| 202 | T | 38.9 | Very low | 34.6 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 132.2 | 168.6 | -32.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 203 | P | 38.3 | Very low | 34.3 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 134.7 | 170.7 | 29.5 | -32.6 | 0 | 0 | 0 | 110.5 | | |
| 204 | P | 37 | Very low | 34 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 141.7 | 178.1 | 30.4 | -34.1 | 0 | 0 | 0 | 111.9 | | |
| 205 | S | 34.2 | Very low | 33.7 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 140.4 | 173.4 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | D207 | S205-D207 PolarHBondContact O-N 3.46Å; S205-D207 VanDerWaalsContact O-N 3.12Å |
| 206 | P | 38.5 | Very low | 33.6 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -80.1 | 95.7 | 176 | 31.7 | -33 | 0 | 0 | 0 | 111 | R208 | P206-R208 PolarHBondContact O-N 3.35Š|
| 207 | D | 31 | Very low | 33.3 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | trans | -59.3 | 121.7 | 160.1 | -121.1 | -25.6 | 0 | 0 | 0 | 109 | S205 | S205-D207 PolarHBondContact O-N 3.46Å; S205-D207 VanDerWaalsContact O-N 3.12Å |
| 208 | R | 31.8 | Very low | 33.7 | Very low | 242 Ų | 242 | 134.4 Ų | 134.4 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | | | trans | -130.4 | 94.9 | 168.4 | -156.8 | 171.1 | -162 | 156.2 | 6.7 | 111.7 | P206 | P206-R208 PolarHBondContact O-N 3.35Š|
| 209 | A | 29.5 | Very low | 33.4 | Very low | 88 Ų | 88 | 139.5 Ų | 139.5 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | -55.8 | 156 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G211 | A209-G211 PolarHBondContact O-N 2.88Š|
| 210 | N | 33.2 | Very low | 33.4 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | | | trans | -51.4 | 127.5 | 175.3 | -63.5 | -60.7 | 0 | 0 | 0 | 112.4 | | |
| 211 | G | 28.6 | Very low | 32.9 | Very low | 72 Ų | 72 | 141.6 Ų | 141.6 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | | | trans | -141.9 | 63.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A209 | A209-G211 PolarHBondContact O-N 2.88Š|
| 212 | R | 29.2 | Very low | 32.7 | Very low | 216 Ų | 216 | 139.6 Ų | 139.6 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | | | trans | -28.8 | 123.4 | 171.2 | -175.4 | -176 | -170.6 | -78.7 | -0.5 | 115.3 | | |
| 213 | L | 34 | Very low | 32.4 | Very low | 169 Ų | 169 | 138 Ų | 138 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | | | trans | -99.1 | 115 | 163.9 | -90 | 167.7 | 0 | 0 | 0 | 110.6 | | |
| 214 | E | 31.8 | Very low | 32 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | | | trans | -172.5 | 135.4 | 135.8 | -111.2 | -167.2 | 168.9 | 0 | 0 | 109.4 | | |
| 215 | G | 29.5 | Very low | 31.8 | Very low | 67 Ų | 67 | 142.4 Ų | 142.4 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | | | trans | -108 | -157.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 216 | P | 37.4 | Very low | 31.7 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | cis | -115 | -179.3 | -14.7 | 38.4 | -24.5 | 0 | 0 | 0 | 112.5 | | |
| 217 | S | 30.3 | Very low | 31.3 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | | | trans | -77.3 | 164.1 | 176.3 | 82.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 218 | P | 40.6 | Very low | 31.4 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | | -147.5 | 164.6 | 71.5 | 37.8 | -17.9 | 0 | 0 | 0 | 118.7 | | |
| 219 | Y | 28.3 | Very low | 31.4 | Very low | 216 Ų | 216 | 132.6 Ų | 132.6 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | | | trans | -15.1 | 145.6 | 163 | -89.1 | -97.5 | 0 | 0 | 0 | 122.5 | | |
| 220 | R | 30.3 | Very low | 31.9 | Very low | 230 Ų | 230 | 134.3 Ų | 134.3 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | | | trans | 109.2 | 90 | 133.6 | -163.1 | -174.8 | -65.5 | -98.5 | 1 | 119.1 | | |
| 221 | G | 27.3 | Very low | 31.9 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | | 88.4 | 145.3 | 124.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 222 | G | 27.8 | Very low | 32.2 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | 117 | 93.8 | 153 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 223 | A | 31.8 | Very low | 32.3 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | 44.8 | 112 | 133.9 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 224 | R | 30.6 | Very low | 32.2 | Very low | 238 Ų | 238 | 130.8 Ų | 130.8 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | | 78.7 | 114 | 112.2 | -161.4 | 179.3 | -166.6 | 176.4 | 4.5 | 121.4 | | |
| 225 | A | 32.8 | Very low | 32.2 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | 68.6 | 157 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 226 | T | 32 | Very low | 32.2 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | | | cis | -156.8 | 141 | 19.6 | -42.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 227 | G | 29.8 | Very low | 31.7 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | 63.1 | 168.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 228 | D | 33.5 | Very low | 31.6 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | | | cis | -164 | 166.1 | -18.6 | -166.2 | 4.4 | 0 | 0 | 0 | 106.9 | | |
| 229 | G | 31.5 | Very low | 31.6 | Very low | 62 Ų | 62 | 133.2 Ų | 133.2 | 64% | 0.639 | 81% | 0.812 | S | S | * | * | | | trans | 105.8 | 70.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 230 | V | 39.4 | Very low | 32.1 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | | | | 38 | 114.9 | 123.6 | -172.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 231 | E | 34.1 | Very low | 32.3 | Very low | 193 Ų | 193 | 123.1 Ų | 123.1 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | 29.7 | 145.6 | 132.2 | -50.5 | -176.1 | 156.1 | 0 | 0 | 123.2 | | |
| 232 | G | 34.4 | Very low | 33.1 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | 157.3 | 93.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 233 | E | 31 | Very low | 33.3 | Very low | 198 Ų | 198 | 129.7 Ų | 129.7 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | -73.5 | 173 | 174.4 | -66.8 | 178.9 | 107.4 | 0 | 0 | 113.6 | | |
| 234 | A | 32 | Very low | 33.3 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | 111 | 103.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 235 | L | 32.4 | Very low | 33.2 | Very low | 157 Ų | 157 | 122.3 Ų | 122.3 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | | 83.1 | 135.4 | 128.9 | -61.9 | 173.5 | 0 | 0 | 0 | 122.2 | | |
| 236 | T | 29.2 | Very low | 33 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | 68.7 | 120 | 147 | 49.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 237 | S | 26.2 | Very low | 32.8 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | | | trans | -150.6 | 101.6 | 154.4 | -173.8 | 0 | 0 | 0 | 0 | 105.6 | | |
| 238 | V | 29.3 | Very low | 32.9 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 70% | 0.703 | 82% | 0.816 | S | S | * | * | | | | 54.3 | 93.4 | 69.7 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | P240 | V238-P240 WeakPolarHBondContact O-CD 3.13Š|
| 239 | C | 39.4 | Very low | 32.8 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | | | trans | -66.4 | 139.6 | 168.6 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 240 | P | 39.1 | Very low | 32.7 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 71% | 0.714 | 82% | 0.822 | S | S | * | * | | | trans | -135.9 | 143 | 134.3 | 35.7 | -24.5 | 0 | 0 | 0 | 112.9 | V238 | V238-P240 WeakPolarHBondContact O-CD 3.13Š|
| 241 | S | 34.1 | Very low | 32.5 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | | | trans | -78.3 | 148.1 | 161 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 242 | P | 44.2 | Very low | 32.6 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | | | trans | -130.8 | 164.7 | 147.8 | 34.8 | -22.1 | 0 | 0 | 0 | 114 | | |
| 243 | L | 32.7 | Very low | 32.4 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | | | trans | -88.9 | 158.2 | -168.1 | -140.1 | 79.7 | 0 | 0 | 0 | 113.8 | | |
| 244 | A | 31.2 | Very low | 32.8 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | | | trans | 73.7 | 127.6 | 141.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 245 | G | 29.5 | Very low | 33 | Very low | 84 Ų | 84 | 127 Ų | 127 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | | | trans | 139 | 121.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 246 | G | 28.2 | Very low | 33.4 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | | | cis | 150.3 | 142.1 | 0.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 247 | R | 28.7 | Very low | 33.6 | Very low | 257 Ų | 257 | 131 Ų | 131 | 97% | 0.97 | 82% | 0.817 | S | S | * | * | | | trans | 86.7 | 109.9 | 179.6 | -51.7 | 168.9 | 71.3 | -177.8 | 3 | 116.2 | | |
| 248 | S | 31 | Very low | 34 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | trans | -121.4 | 146.8 | 147.8 | -169.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 249 | A | 31.5 | Very low | 34.2 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | | | trans | -137.8 | 156 | 176.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 250 | Q | 29.9 | Very low | 33.9 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | cis | -155.6 | 136.1 | 10.5 | -178.6 | 176.9 | 6.6 | 0 | 0 | 107 | | |
| 251 | T | 33.7 | Very low | 34.8 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | | | trans | -99.9 | 140.3 | 172 | 47 | 0 | 0 | 0 | 0 | 111.3 | | |
| 252 | P | 37.2 | Very low | 35.1 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | trans | -90.1 | 148.2 | 155.7 | 33.2 | -27.9 | 0 | 0 | 0 | 110.7 | | |
| 253 | S | 30.9 | Very low | 34.7 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -113.4 | 160 | -166.7 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 254 | T | 37.8 | Very low | 34.8 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | | | trans | -171.8 | 115.8 | 146.4 | -67.2 | 0 | 0 | 0 | 0 | 104.2 | | |
| 255 | G | 36.5 | Very low | 34.9 | Very low | 62 Ų | 62 | 132.1 Ų | 132.1 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | | | | 86.3 | 124.4 | 51.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 256 | Q | 41.4 | Very low | 34.9 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | cis | -155.3 | 127.5 | 12.4 | -69.9 | 177.3 | -71.7 | 0 | 0 | 108.8 | | |
| 257 | F | 32.4 | Very low | 35.2 | Very low | 190 Ų | 190 | 140 Ų | 140 | 83% | 0.833 | 81% | 0.81 | S | S | * | * | | | | 77.9 | 108.8 | 100.4 | -65.1 | -57.3 | 0 | 0 | 0 | 120.8 | | |
| 258 | S | 34.8 | Very low | 35.8 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | | 175.6 | 114.6 | 124.2 | 40.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 259 | S | 34.8 | Very low | 36.3 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | | 61.1 | 121.3 | 71.4 | 71.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 260 | S | 32.7 | Very low | 36.4 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | cis | -160.3 | 175.5 | 9.4 | -75.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 261 | P | 58 | Low | 36.6 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -108.5 | -170.2 | -179.1 | 36.9 | -25.8 | 0 | 0 | 0 | 115.9 | | |
| 262 | I | 39.7 | Very low | 36.9 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | 85 | 119.7 | 159.9 | -15.8 | 176.4 | 0 | 0 | 0 | 121 | | |
| 263 | Q | 35.1 | Very low | 36.7 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | | | | 144.5 | 122 | 120.5 | -76.7 | -165.9 | -4.7 | 0 | 0 | 116.6 | | |
| 264 | Q | 36 | Very low | 36.9 | Very low | 186 Ų | 186 | 134.5 Ų | 134.5 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | 37.7 | 123.9 | 141.5 | -63 | 178.4 | -16.1 | 0 | 0 | 122.2 | | |
| 265 | G | 32.4 | Very low | 36.8 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | | 121.3 | 156.4 | 118.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 266 | C | 30.4 | Very low | 36.6 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | | | trans | 75.5 | 113.1 | 172.1 | -87.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 267 | F | 34.9 | Very low | 36.3 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | | | trans | -22.1 | 145.8 | 138.7 | -63.7 | -101.8 | 0 | 0 | 0 | 115.5 | | |
| 268 | R | 40.3 | Very low | 36.7 | Very low | 221 Ų | 221 | 131.1 Ų | 131.1 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | | -167.4 | 144.5 | 123 | -97.9 | -79.3 | 164.5 | -127.6 | -5.2 | 112 | | |
| 269 | D | 41.3 | Very low | 36.6 | Very low | 111 Ų | 111 | 134 Ų | 134 | 59% | 0.594 | 79% | 0.791 | S | S | * | * | | | trans | -71.3 | 146.6 | -175.3 | -32.2 | -85.6 | 0 | 0 | 0 | 113.1 | | |
| 270 | C | 34.9 | Very low | 36.8 | Very low | 123 Ų | 123 | 138 Ų | 138 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | 163.5 | 153 | 150.2 | -89.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 271 | S | 34.1 | Very low | 37.4 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | | | cis | 168 | 120.3 | -23.2 | -98.4 | 0 | 0 | 0 | 0 | 105.5 | | |
| 272 | L | 39.8 | Very low | 36.1 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | | | trans | 41.6 | 122.2 | 150.6 | -57.2 | 173.7 | 0 | 0 | 0 | 121 | | |
| 273 | G | 32.6 | Very low | 35.8 | Very low | 73 Ų | 73 | 143.9 Ų | 143.9 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -175.5 | 58.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 274 | S | 34 | Very low | 35.7 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | | 59.6 | 97.9 | 107.7 | -63.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 275 | I | 35.6 | Very low | 35.7 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -64.8 | 145.2 | 161.9 | 52.7 | 174.7 | 0 | 0 | 0 | 111.1 | | |
| 276 | S | 33.2 | Very low | 36.5 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -108.6 | 102.9 | 172.4 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 277 | S | 34.9 | Very low | 36.7 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 146 | 167.6 | -59 | 0 | 0 | 0 | 0 | 110.5 | | |
| 278 | P | 40.7 | Very low | 36.5 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75 | 150.4 | -179.7 | 30.4 | -34.5 | 0 | 0 | 0 | 112.8 | | |
| 279 | L | 32.4 | Very low | 36.2 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 143.2 | -177.2 | -71.4 | 151.2 | 0 | 0 | 0 | 112.6 | | |
| 280 | F | 39.3 | Very low | 35.8 | Very low | 193 Ų | 193 | 131 Ų | 131 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -120.2 | 143.4 | 153 | -77.9 | -80.3 | 0 | 0 | 0 | 109.1 | | |
| 281 | P | 45.9 | Very low | 35.7 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | -78 | 138.5 | -172.5 | 30.1 | -34.1 | 0 | 0 | 0 | 113.3 | | |
| 282 | D | 30.4 | Very low | 35.9 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | | | trans | -72.6 | 142.5 | -178.8 | 173.3 | 24.8 | 0 | 0 | 0 | 113.4 | S284 | D282-S284 PolarHBondContact OD1-N 3.43Å; D282-S284 VanDerWaalsContact OD1-N 3.16Å |
| 283 | R | 34.1 | Very low | 35.7 | Very low | 227 Ų | 227 | 130 Ų | 130 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -159.2 | 110.2 | 131.5 | -113.3 | 171 | -170.2 | -94 | -0.6 | 114.8 | | |
| 284 | S | 33 | Very low | 36.1 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | 72.3 | 114.6 | 141.9 | 47.8 | 0 | 0 | 0 | 0 | 121.3 | D282 | D282-S284 PolarHBondContact OD1-N 3.43Å; D282-S284 VanDerWaalsContact OD1-N 3.16Å |
| 285 | S | 34.9 | Very low | 36.1 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -93 | -173.5 | 154 | -42.3 | 0 | 0 | 0 | 0 | 110 | | |
| 286 | P | 49.4 | Very low | 36.6 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | cis | -140.5 | -169.7 | 5.6 | 43.2 | -23.2 | 0 | 0 | 0 | 116.8 | | |
| 287 | A | 33.9 | Very low | 37 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | | | trans | 72.4 | 145.7 | 176 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 288 | G | 31.1 | Very low | 36.9 | Very low | 59 Ų | 59 | 135 Ų | 135 | 61% | 0.608 | 81% | 0.806 | S | S | * | * | | | cis | 172.3 | 148.3 | -7.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 289 | H | 34.2 | Very low | 37 | Very low | 197 Ų | 197 | 135 Ų | 135 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | | | trans | 75.8 | 150.6 | 174.2 | -52.5 | -82.4 | 0 | 0 | 0 | 120.2 | | |
| 290 | A | 33 | Very low | 37 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | 83.7 | 122.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 291 | S | 33.6 | Very low | 36.7 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -49.6 | 164.1 | 178.3 | -50.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 292 | P | 38.7 | Very low | 35.9 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | -71 | 142.8 | 177.6 | 30.7 | -36.6 | 0 | 0 | 0 | 112.4 | | |
| 293 | T | 35.3 | Very low | 36 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -109.1 | 139.7 | 167.5 | -59.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 294 | V | 40.5 | Very low | 36 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | | | trans | -77.1 | 155.3 | -174.3 | -163.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 295 | S | 33 | Very low | 36.2 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -14.9 | 162.3 | 163.3 | -45.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 296 | P | 47.2 | Very low | 36 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | cis | -147.2 | -161.4 | 25.7 | 43.3 | -20.9 | 0 | 0 | 0 | 116.6 | | |
| 297 | I | 42.4 | Very low | 35 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -51.4 | 137.2 | 175.6 | -59.9 | 156.9 | 0 | 0 | 0 | 113.4 | | |
| 298 | L | 31.8 | Very low | 35 | Very low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | -146.1 | 136.8 | 144.9 | -153 | 80.8 | 0 | 0 | 0 | 111.8 | | |
| 299 | V | 42.4 | Very low | 35 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | | | trans | -82.4 | 135.2 | 165.9 | 171.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 300 | D | 33 | Very low | 35.1 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -151.8 | 164.3 | 146.4 | -138.6 | -19.8 | 0 | 0 | 0 | 114.1 | | |
| 301 | M | 32.1 | Very low | 35.1 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 80% | 0.803 | 80% | 0.797 | S | S | * | * | | | trans | -135.8 | 108.8 | -148.8 | 165.7 | 179 | 53.6 | 0 | 0 | 110.6 | | |
| 302 | A | 30 | Very low | 35.2 | Very low | 94 Ų | 94 | 145 Ų | 145 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | | | trans | -156.4 | 102.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 303 | R | 32.9 | Very low | 35.1 | Very low | 251 Ų | 251 | 146.8 Ų | 146.8 | 95% | 0.947 | 80% | 0.797 | S | S | * | * | | | | 70.8 | 150.8 | 129.4 | -64.3 | -172.4 | 173.6 | -153.7 | -3.1 | 122.3 | | |
| 304 | T | 34.1 | Very low | 34.9 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -100.6 | 175.2 | -168.7 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 305 | P | 37.6 | Very low | 34.3 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | | -124.1 | 134.9 | 114.2 | 35.4 | -29.5 | 0 | 0 | 0 | 110.9 | | |
| 306 | R | 29.4 | Very low | 34.2 | Very low | 209 Ų | 209 | 148.4 Ų | 148.4 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | | | | 52.4 | 129 | 75.3 | -75.5 | -165.6 | 77.6 | -173.5 | 1.3 | 113 | | |
| 307 | D | 28.6 | Very low | 33.6 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | | | cis | -164.8 | 179.3 | 2.8 | -138.4 | -29.9 | 0 | 0 | 0 | 111.5 | | |
| 308 | S | 33.6 | Very low | 33.1 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | 78.2 | 131 | 175.8 | 86 | 0 | 0 | 0 | 0 | 117 | | |
| 309 | G | 32 | Very low | 33.9 | Very low | 68 Ų | 68 | 148.2 Ų | 148.2 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | cis | -176.4 | 172.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 310 | E | 35.4 | Very low | 33.3 | Very low | 203 Ų | 203 | 151.3 Ų | 151.3 | 95% | 0.949 | 79% | 0.791 | S | S | * | * | | | trans | 80.4 | 149.7 | 177.1 | -51.7 | -149.9 | 138.4 | 0 | 0 | 118.2 | | |
| 311 | Q | 34 | Very low | 33.1 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -149.4 | 120.3 | -142 | 169.3 | -164 | 21.2 | 0 | 0 | 109.1 | | |
| 312 | K | 34.4 | Very low | 33 | Very low | 190 Ų | 190 | 144 Ų | 144 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -167.3 | 132.7 | 144.3 | -117.1 | 167.6 | -179.8 | 177.2 | 0 | 114.2 | | |
| 313 | H | 36.6 | Very low | 33.4 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -65.7 | 155.4 | 159.8 | -64.2 | -110.9 | 0 | 0 | 0 | 110.4 | | |
| 314 | H | 31.9 | Very low | 33.7 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | | | trans | -177.1 | 101.7 | 136.5 | -82.3 | -48.9 | 0 | 0 | 0 | 106.5 | | |
| 315 | S | 28.1 | Very low | 33.7 | Very low | 83 Ų | 83 | 143.7 Ų | 143.7 | 58% | 0.58 | 80% | 0.798 | S | S | * | * | | | | 72.1 | 117.1 | 84.6 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 316 | N | 31.3 | Very low | 33.6 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -54.3 | 137.9 | 177.8 | -52.5 | -68.3 | 0 | 0 | 0 | 112.8 | | |
| 317 | F | 34 | Very low | 33.8 | Very low | 193 Ų | 193 | 139.7 Ų | 139.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -143.6 | 124 | 160.2 | -93.1 | -76.6 | 0 | 0 | 0 | 112.3 | | |
| 318 | T | 32.6 | Very low | 34.2 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 139.8 | 165.5 | -50.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 319 | P | 48.8 | Very low | 34.1 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 121.6 | 168.8 | 31.6 | -30.6 | 0 | 0 | 0 | 111.2 | | |
| 320 | H | 29 | Very low | 34.1 | Very low | 188 Ų | 188 | 142.6 Ų | 142.6 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 126.2 | 167.1 | -103 | -72.8 | 0 | 0 | 0 | 110.9 | | |
| 321 | G | 29.2 | Very low | 34.1 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | | | trans | 47.8 | 112 | 139.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 322 | G | 29.9 | Very low | 34 | Very low | 73 Ų | 73 | 137.1 Ų | 137.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | trans | -146.3 | 130.2 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 323 | P | 38.3 | Very low | 33.9 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | -90.5 | 145.5 | -166.8 | 34.9 | -34.6 | 0 | 0 | 0 | 112.8 | | |
| 324 | L | 39.1 | Very low | 33.8 | Very low | 178 Ų | 178 | 132.9 Ų | 132.9 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | | | trans | -154.7 | 137.7 | 151.5 | -109.3 | 161.6 | 0 | 0 | 0 | 110 | | |
| 325 | D | 32.9 | Very low | 34.2 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | trans | -87.6 | 122.7 | -169.1 | -175.6 | 18 | 0 | 0 | 0 | 110.9 | | |
| 326 | A | 36.7 | Very low | 34.6 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -165.3 | 98.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V328 | A326-V328 PolarHBondContact O-N 3.08Š|
| 327 | D | 32.4 | Very low | 35.3 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -72.5 | 106 | 175.6 | -176.9 | 19.6 | 0 | 0 | 0 | 112 | | |
| 328 | V | 37.1 | Very low | 35.7 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -143.3 | 118.3 | 161.7 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | A326 | A326-V328 PolarHBondContact O-N 3.08Š|
| 329 | A | 33 | Very low | 36.2 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | | | trans | -67 | 137.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T331 | A329-T331 PolarHBondContact O-N 2.88Å; A329-T331 VanDerWaalsContact O-N 3.15Å |
| 330 | L | 32.1 | Very low | 35.6 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | trans | -78.1 | 93.7 | 173.2 | -145.3 | 90.6 | 0 | 0 | 0 | 110.1 | N332 | L330-N332 PolarHBondContact O-N 3.29Å; L330-N332 VanDerWaalsContact O-N 3.08Å |
| 331 | T | 35 | Very low | 36.3 | Very low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | trans | -77.3 | 91.7 | 175.6 | 51 | 0 | 0 | 0 | 0 | 111 | A329 E333 | A329-T331 PolarHBondContact O-N 2.88Å; A329-T331 VanDerWaalsContact O-N 3.15Å; T331-E333 VanDerWaalsContact C-N 3.28Å; T331-E333 PolarHBondContact O-N 3.34Å |
| 332 | N | 32.1 | Very low | 36.9 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | | | trans | -71.3 | 84.7 | 163.8 | -74.3 | -40.5 | 0 | 0 | 0 | 109.5 | L330 S334 | L330-N332 PolarHBondContact O-N 3.29Å; L330-N332 VanDerWaalsContact O-N 3.08Å; N332-S334 PolarHBondContact O-N 2.95Å |
| 333 | E | 31.7 | Very low | 37.2 | Very low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -82.4 | 95.1 | 176.3 | -169.6 | 173.7 | -177.6 | 0 | 0 | 110.3 | T331 | T331-E333 VanDerWaalsContact C-N 3.28Å; T331-E333 PolarHBondContact O-N 3.34Å |
| 334 | S | 34.9 | Very low | 37.2 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 134.2 | 164 | 60 | 0 | 0 | 0 | 0 | 109.9 | N332 F336 | N332-S334 PolarHBondContact O-N 2.95Å; S334-F336 PolarHBondContact O-N 2.75Å |
| 335 | P | 40.8 | Very low | 36.8 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 124.6 | -179 | 27.1 | -34 | 0 | 0 | 0 | 111.2 | V337 | P335-V337 PolarHBondContact O-N 3.27Š|
| 336 | F | 36.1 | Very low | 36.6 | Very low | 204 Ų | 204 | 133.6 Ų | 133.6 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 122.3 | 172.5 | -91 | -106.5 | 0 | 0 | 0 | 110.5 | S334 | S334-F336 PolarHBondContact O-N 2.75Š|
| 337 | V | 45.1 | Very low | 36.3 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | | | trans | -95.2 | 103.7 | 160.1 | 177.2 | 0 | 0 | 0 | 0 | 107.4 | P335 G339 | P335-V337 PolarHBondContact O-N 3.27Å; V337-G339 PolarHBondContact O-N 3.04Å |
| 338 | E | 43.4 | Very low | 36.3 | Very low | 198 Ų | 198 | 132.1 Ų | 132.1 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 106.8 | 178.5 | -171.8 | 148 | -148.6 | 0 | 0 | 109.9 | | |
| 339 | G | 41.7 | Very low | 36.1 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.9 | -11.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | V337 | V337-G339 PolarHBondContact O-N 3.04Š|
| 340 | C | 38.2 | Very low | 36.1 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 70% | 0.696 | 79% | 0.786 | S | S | * | * | | | trans | -118 | 117.2 | -180 | -61 | 0 | 0 | 0 | 0 | 112.2 | P342 | C340-P342 WeakPolarHBondContact O-CD 3.39Š|
| 341 | S | 42.8 | Very low | 35.9 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -62.8 | 121.3 | 171.5 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | I343 | S341-I343 PolarHBondContact O-N 3.14Š|
| 342 | P | 40.9 | Very low | 35.7 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -68.9 | 118.7 | 175.9 | -18.1 | 31.9 | 0 | 0 | 0 | 110.3 | C340 R344 | C340-P342 WeakPolarHBondContact O-CD 3.39Å; P342-R344 PolarHBondContact O-N 3.42Å |
| 343 | I | 37.7 | Very low | 35.5 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -68.1 | 105.2 | 174.2 | -56.1 | 176.1 | 0 | 0 | 0 | 107.9 | S341 S345 | S341-I343 PolarHBondContact O-N 3.14Å; I343-S345 PolarHBondContact O-N 2.82Å |
| 344 | R | 37.9 | Very low | 35.4 | Very low | 225 Ų | 225 | 145.6 Ų | 145.6 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | | | trans | -69 | 97.9 | 178.1 | -77 | -93.2 | -179.1 | 153.6 | -3.1 | 110.2 | P342 C346 | P342-R344 PolarHBondContact O-N 3.42Å; R344-C346 PolarHBondContact O-N 2.65Å |
| 345 | S | 30.4 | Very low | 35.1 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -69.6 | 103.8 | 165.3 | 55.9 | 0 | 0 | 0 | 0 | 110 | I343 S347 | I343-S345 PolarHBondContact O-N 2.82Å; S345-S347 PolarHBondContact O-N 3.15Å |
| 346 | C | 29.6 | Very low | 34.6 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -84.9 | 97.9 | 177.5 | -69.3 | 0 | 0 | 0 | 0 | 111.3 | R344 | R344-C346 PolarHBondContact O-N 2.65Š|
| 347 | S | 30.3 | Very low | 34.4 | Very low | 83 Ų | 83 | 146.3 Ų | 146.3 | 58% | 0.58 | 78% | 0.784 | S | S | * | * | | | trans | -82.9 | 125.1 | 168.4 | -48 | 0 | 0 | 0 | 0 | 110.5 | S345 H349 | S345-S347 PolarHBondContact O-N 3.15Å; S347-H349 PolarHBondContact O-N 3.04Å; S347-H349 VanDerWaalsContact O-N 3.14Å; S347-H349 PolarHBondContact O-ND1 3.18Å; S347-H349 VanDerWaalsContact O-ND1 3.15Å |
| 348 | P | 31.4 | Very low | 33.7 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -71.9 | 110.4 | 179.8 | 28.9 | -32.8 | 0 | 0 | 0 | 110.3 | | |
| 349 | H | 33.2 | Very low | 33.2 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -79 | 140.7 | 175.6 | -79.2 | 62.8 | 0 | 0 | 0 | 111.5 | S347 L351 | S347-H349 PolarHBondContact O-N 3.04Å; S347-H349 VanDerWaalsContact O-N 3.14Å; S347-H349 PolarHBondContact O-ND1 3.18Å; S347-H349 VanDerWaalsContact O-ND1 3.15Å; H349-L351 PolarHBondContact O-N 3.32Å |
| 350 | Q | 33.1 | Very low | 32.9 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 123.3 | -174.6 | -160.5 | 169.7 | 16.6 | 0 | 0 | 111.2 | H352 | Q350-H352 PolarHBondContact O-N 3.02Š|
| 351 | L | 28.6 | Very low | 33 | Very low | 165 Ų | 165 | 151.1 Ų | 151.1 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 119.4 | 178 | -86.3 | 168.7 | 0 | 0 | 0 | 111.2 | H349 | H349-L351 PolarHBondContact O-N 3.32Š|
| 352 | H | 29.5 | Very low | 33.1 | Very low | 161 Ų | 161 | 151 Ų | 151 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 124.1 | 169.1 | -162.9 | 79.3 | 0 | 0 | 0 | 109.6 | Q350 | Q350-H352 PolarHBondContact O-N 3.02Š|
| 353 | Y | 27.4 | Very low | 32.8 | Very low | 218 Ų | 218 | 153.5 Ų | 153.5 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 125.5 | 173.6 | -90.9 | -98.8 | 0 | 0 | 0 | 110.3 | | |
| 354 | Q | 31.3 | Very low | 32.6 | Very low | 177 Ų | 177 | 150.3 Ų | 150.3 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | -132.4 | 139.7 | 151.1 | -82.6 | -164.1 | -21.9 | 0 | 0 | 110.9 | | |
| 355 | H | 28.2 | Very low | 32.9 | Very low | 135 Ų | 135 | 151.7 Ų | 151.7 | 63% | 0.625 | 79% | 0.785 | S | S | * | * | | | trans | -103.6 | 132.1 | 178.2 | 164.9 | -68.5 | 0 | 0 | 0 | 107.1 | Q357 | H355-Q357 PolarHBondContact CE1-NE2 3.37Å; H355-Q357 PolarHBondContact NE2-NE2 2.99Å |
| 356 | D | 29.8 | Very low | 33.2 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | -165.8 | 161.6 | 138.6 | -98.9 | -13.4 | 0 | 0 | 0 | 114.4 | | |
| 357 | Q | 32.8 | Very low | 33.5 | Very low | 135 Ų | 135 | 158.2 Ų | 158.2 | 63% | 0.631 | 79% | 0.791 | S | S | * | * | | | trans | -107 | 138.4 | -159.1 | -54.1 | 171.2 | 3.6 | 0 | 0 | 111.3 | H355 | H355-Q357 PolarHBondContact CE1-NE2 3.37Å; H355-Q357 PolarHBondContact NE2-NE2 2.99Å |
| 358 | N | 30.6 | Very low | 33.5 | Very low | 135 Ų | 135 | 159.4 Ų | 159.4 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | | 170.7 | 144.1 | 108.1 | -91.8 | -52.4 | 0 | 0 | 0 | 116.8 | | |
| 359 | T | 31.9 | Very low | 33.6 | Very low | 121 Ų | 121 | 164.1 Ų | 164.1 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | 48.9 | 99.9 | 147.5 | 59.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 360 | S | 34.3 | Very low | 33.5 | Very low | 130 Ų | 130 | 162.7 Ų | 162.7 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | | 172.7 | 154 | 103 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 361 | R | 41.6 | Very low | 33.4 | Very low | 207 Ų | 207 | 165.4 Ų | 165.4 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | | | trans | -116 | 164.1 | 178.7 | -120.2 | -156.6 | 171.7 | 169.7 | 2.6 | 108.2 | | |
| 362 | P | 43.8 | Very low | 33.6 | Very low | 113 Ų | 113 | 162.1 Ų | 162.1 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | cis | -141.9 | 147.6 | 37.3 | 36.3 | -15.1 | 0 | 0 | 0 | 119.5 | | |
| 363 | K | 35 | Very low | 33.9 | Very low | 169 Ų | 169 | 159.7 Ų | 159.7 | 74% | 0.735 | 79% | 0.793 | S | S | * | * | | | trans | 40.6 | 107.4 | 145.4 | -68.7 | 178.9 | 176.1 | 173.5 | 0 | 119.8 | | |
| 364 | A | 33.4 | Very low | 34.4 | Very low | 99 Ų | 99 | 155 Ų | 155 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -127.7 | 147.2 | 132.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 365 | R | 44.9 | Very low | 34.8 | Very low | 255 Ų | 255 | 152 Ų | 152 | 96% | 0.962 | 79% | 0.785 | S | S | * | * | | | trans | -105 | 122 | 176.7 | -78.3 | 178.9 | 170 | 172.3 | -4.1 | 110 | | |
| 366 | P | 37.3 | Very low | 35.2 | Very low | 115 Ų | 115 | 153.8 Ų | 153.8 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | | | trans | -104.1 | 135.9 | 154.2 | 2.6 | 18 | 0 | 0 | 0 | 110.4 | V368 | P366-V368 PolarHBondContact O-N 3.32Š|
| 367 | R | 34.6 | Very low | 35.5 | Very low | 250 Ų | 250 | 154 Ų | 154 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | | | trans | -87.7 | 98 | -179.3 | -170 | 177 | -170.1 | 156.8 | -0 | 109.2 | R369 | R367-R369 PolarHBondContact O-N 2.96Š|
| 368 | V | 31.4 | Very low | 35.6 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 65% | 0.648 | 80% | 0.801 | S | S | * | * | | | trans | -64.5 | 122.3 | -179.5 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | P366 N370 | P366-V368 PolarHBondContact O-N 3.32Å; V368-N370 WeakPolarHBondContact CG1-OD1 3.44Å |
| 369 | R | 33.6 | Very low | 35.9 | Very low | 232 Ų | 232 | 152 Ų | 152 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | | | trans | -98.3 | 103.7 | 155.5 | -81 | -168.1 | 179.1 | -155.5 | 2.2 | 107.2 | R367 | R367-R369 PolarHBondContact O-N 2.96Š|
| 370 | N | 31.6 | Very low | 36.2 | Very low | 144 Ų | 144 | 154.2 Ų | 154.2 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | | | trans | -74.3 | 128.4 | 168.9 | -70.8 | -36.2 | 0 | 0 | 0 | 108.7 | V368 A372 | V368-N370 WeakPolarHBondContact CG1-OD1 3.44Å; N370-A372 PolarHBondContact O-N 3.34Å |
| 371 | W | 29.6 | Very low | 36.3 | Very low | 252 Ų | 252 | 156.2 Ų | 156.2 | 96% | 0.955 | 81% | 0.812 | S | S | * | * | | | trans | -78.3 | 114.8 | 162.7 | -72.9 | 85.4 | 0 | 0 | 0 | 107.5 | | |
| 372 | A | 34.2 | Very low | 35.7 | Very low | 96 Ų | 96 | 153.8 Ų | 153.8 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -82 | 139.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | N370 | N370-A372 PolarHBondContact O-N 3.34Š|
| 373 | S | 35.4 | Very low | 35.6 | Very low | 109 Ų | 109 | 153.5 Ų | 153.5 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 151.4 | 167.7 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 374 | P | 36.7 | Very low | 35.3 | Very low | 121 Ų | 121 | 155 Ų | 155 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 143.1 | 177.6 | 28.1 | -34.5 | 0 | 0 | 0 | 111.4 | | |
| 375 | P | 41.2 | Very low | 35.1 | Very low | 112 Ų | 112 | 158.2 Ų | 158.2 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -79 | 144.3 | -178.1 | 31.7 | -34.7 | 0 | 0 | 0 | 112.7 | | |
| 376 | L | 36.2 | Very low | 34.5 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 127.8 | 167 | -64.2 | 168 | 0 | 0 | 0 | 109.4 | | |
| 377 | I | 36.5 | Very low | 34 | Very low | 158 Ų | 158 | 155.6 Ų | 155.6 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 120 | 178.3 | -60.2 | 174.8 | 0 | 0 | 0 | 109 | | |
| 378 | S | 34.6 | Very low | 33.7 | Very low | 98 Ų | 98 | 155.5 Ų | 155.5 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -103 | 145.6 | 168.4 | -63.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 379 | P | 36.7 | Very low | 33.6 | Very low | 131 Ų | 131 | 159.1 Ų | 159.1 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 131 | -175.1 | 30.3 | -34.2 | 0 | 0 | 0 | 112.1 | | |
| 380 | I | 37 | Very low | 33.5 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 121 | 173.9 | -65.5 | 173 | 0 | 0 | 0 | 108.9 | | |
| 381 | L | 36.2 | Very low | 33.4 | Very low | 172 Ų | 172 | 154.7 Ų | 154.7 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 153.5 | 165.6 | -97.6 | 162.6 | 0 | 0 | 0 | 110.8 | | |
| 382 | N | 30.8 | Very low | 33.3 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 161.5 | -160.6 | -99.6 | -34.6 | 0 | 0 | 0 | 116.2 | | |
| 383 | P | 41.8 | Very low | 33.1 | Very low | 106 Ų | 106 | 154.1 Ų | 154.1 | 69% | 0.688 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 151.1 | -170.1 | 37.8 | -35.1 | 0 | 0 | 0 | 114.8 | | |
| 384 | K | 26.8 | Very low | 32.7 | Very low | 201 Ų | 201 | 154.4 Ų | 154.4 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | trans | 165.7 | 122.8 | 133.2 | -98.4 | -176.7 | 177.1 | -175.4 | 0 | 111.6 | | |
| 385 | L | 30 | Very low | 33 | Very low | 166 Ų | 166 | 154 Ų | 154 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | | | | -176.1 | 168 | 115.8 | -100.6 | 164.9 | 0 | 0 | 0 | 111.5 | | |
| 386 | Q | 31.4 | Very low | 32.4 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | | | trans | -90.8 | 135.9 | -159.8 | -73 | 162.8 | -68.3 | 0 | 0 | 114.3 | | |
| 387 | D | 27 | Very low | 31.9 | Very low | 143 Ų | 143 | 151 Ų | 151 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | | | | 37.6 | 106.7 | 118.5 | -162.6 | 21.5 | 0 | 0 | 0 | 118.6 | | |
| 388 | R | 28.2 | Very low | 31.5 | Very low | 248 Ų | 248 | 148 Ų | 148 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | | | trans | -164 | 151.2 | 136.4 | -116.1 | 179.9 | -178.1 | -175.1 | -0 | 114.1 | | |
| 389 | E | 31 | Very low | 31 | Very low | 182 Ų | 182 | 149.3 Ų | 149.3 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | | | trans | -93.7 | 175.8 | -174 | -55.3 | 165.9 | 129.7 | 0 | 0 | 113.2 | | |
| 390 | A | 30.7 | Very low | 30.6 | Very low | 96 Ų | 96 | 148 Ų | 148 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | | | trans | 98.2 | 105.5 | 160 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 391 | E | 29.4 | Very low | 30.2 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | 43.8 | 148.7 | 138.8 | -66.5 | -165.4 | 140.8 | 0 | 0 | 125.5 | | |
| 392 | E | 28.4 | Very low | 30.1 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 73% | 0.729 | 80% | 0.796 | S | S | * | * | | | trans | -17 | 131.1 | 167.8 | -51.9 | -172.2 | 146.4 | 0 | 0 | 119.2 | | |
| 393 | H | 29.9 | Very low | 30.4 | Very low | 179 Ų | 179 | 143 Ų | 143 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | | | | -172.8 | 143.2 | 100.4 | -80.6 | -40.8 | 0 | 0 | 0 | 111.3 | | |
| 394 | S | 26.7 | Very low | 29.6 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -86.2 | 177.9 | 173.2 | -41.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 395 | P | 43 | Very low | 29.7 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | | | cis | -122.9 | -178.2 | -2.9 | 33.9 | -12.4 | 0 | 0 | 0 | 112.2 | | |
| 396 | T | 27.3 | Very low | 29.7 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | | | | 173.5 | 134.7 | 81.8 | -54.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 397 | S | 26.7 | Very low | 29.8 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | 38.9 | 152.6 | 154 | -56.6 | 0 | 0 | 0 | 0 | 123.1 | | |
| 398 | S | 26.8 | Very low | 29.7 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | | | cis | 178.4 | 127.4 | -23.7 | -92.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 399 | S | 25.2 | Very low | 30.6 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | trans | 59.1 | 173.7 | 160.6 | 71.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 400 | S | 27.4 | Very low | 30.4 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -141.2 | 164 | 1.1 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 401 | S | 29.4 | Very low | 30.2 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -47.1 | 159.3 | 163 | 46.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 402 | L | 34.4 | Very low | 31.2 | Very low | 163 Ų | 163 | 129 Ų | 129 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | -53.1 | 155.3 | 165.1 | -57.3 | 167.6 | 0 | 0 | 0 | 113.3 | | |
| 403 | P | 36.6 | Very low | 31.1 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | | -129.5 | 145.4 | 110.5 | 7.4 | 14.7 | 0 | 0 | 0 | 111.5 | | |
| 404 | A | 26.2 | Very low | 31 | Very low | 92 Ų | 92 | 124.2 Ų | 124.2 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | | 83.2 | 104.2 | 65.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 405 | M | 28.5 | Very low | 31.2 | Very low | 184 Ų | 184 | 124.8 Ų | 124.8 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | | | trans | 40.1 | 108.6 | 139 | -165.5 | -171.8 | -51.9 | 0 | 0 | 120.4 | | |
| 406 | E | 28.9 | Very low | 30.4 | Very low | 188 Ų | 188 | 126.2 Ų | 126.2 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | | -162.8 | -178.2 | 123.6 | -126.1 | -169.6 | 161.4 | 0 | 0 | 113.2 | | |
| 407 | L | 33 | Very low | 30.5 | Very low | 154 Ų | 154 | 123 Ų | 123 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | | | trans | -112.3 | 139.2 | -156.2 | -66.8 | 158.2 | 0 | 0 | 0 | 115 | | |
| 408 | D | 26.3 | Very low | 30.7 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | 55.6 | 179.1 | 147 | -106.8 | -11 | 0 | 0 | 0 | 119.8 | | |
| 409 | P | 45.9 | Very low | 30.9 | Very low | 91 Ų | 91 | 127.6 Ų | 127.6 | 59% | 0.591 | 77% | 0.769 | S | S | * | * | | | cis | -130.8 | 175.8 | -36.3 | 32.2 | -14.4 | 0 | 0 | 0 | 114.6 | | |
| 410 | T | 27.7 | Very low | 31 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | 66.6 | 110.9 | 152.6 | 34.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 411 | S | 27.4 | Very low | 31 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | | 48.8 | 165.7 | 114 | -60.1 | 0 | 0 | 0 | 0 | 122.9 | | |
| 412 | P | 48.9 | Very low | 32 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | cis | -134.1 | -162.9 | -13 | 33.5 | -11 | 0 | 0 | 0 | 114.3 | | |
| 413 | L | 27.6 | Very low | 31.7 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | | | trans | 82.3 | 140.6 | 151.3 | -151.7 | 75.3 | 0 | 0 | 0 | 117.1 | | |
| 414 | A | 27.7 | Very low | 31.6 | Very low | 69 Ų | 69 | 129.3 Ų | 129.3 | 57% | 0.57 | 75% | 0.754 | S | S | * | * | | | cis | 163 | 151 | -34.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 415 | T | 30.1 | Very low | 31.7 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | trans | 60 | 152.6 | 169.1 | 38.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 416 | D | 26.6 | Very low | 31.7 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | cis | -152.2 | 172 | -4.5 | -106.1 | -39.8 | 0 | 0 | 0 | 105.7 | | |
| 417 | G | 29.3 | Very low | 31.8 | Very low | 50 Ų | 50 | 127.8 Ų | 127.8 | 52% | 0.515 | 74% | 0.741 | S | S | . | * | | | cis | 159 | 166.5 | 4.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 418 | H | 31.7 | Very low | 31.6 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | | | trans | 70.2 | 140.8 | 167.8 | -47.9 | -63 | 0 | 0 | 0 | 117.6 | | |
| 419 | S | 29.5 | Very low | 31.7 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | cis | -158.6 | -172.8 | -3.4 | 54.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 420 | A | 28.3 | Very low | 30.9 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | | | cis | -152.2 | -148.3 | 11.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 421 | S | 27.9 | Very low | 30.9 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | trans | -150.1 | -171.1 | 175.3 | 75.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 422 | P | 49.1 | Very low | 31 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | | | cis | -131.2 | -167.4 | 28.9 | 36.3 | -11.3 | 0 | 0 | 0 | 113 | | |
| 423 | E | 27.8 | Very low | 30 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | | | cis | -166.6 | 126.1 | 29.3 | -164 | 161.5 | -148.3 | 0 | 0 | 115.8 | | |
| 424 | R | 35 | Very low | 30.2 | Very low | 207 Ų | 207 | 132.7 Ų | 132.7 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | | | trans | 52.6 | 157.3 | 149.1 | -55.3 | 173.4 | -141.3 | -124.2 | 7.2 | 120.1 | | |
| 425 | I | 28.4 | Very low | 30.4 | Very low | 137 Ų | 137 | 137 Ų | 137 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | | | cis | -158 | 144 | 16.3 | -2.6 | 179.8 | 0 | 0 | 0 | 111.4 | | |
| 426 | N | 28.2 | Very low | 30.4 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | trans | 49.2 | 153.3 | 143.4 | -66.4 | -10.7 | 0 | 0 | 0 | 121.9 | | |
| 427 | L | 31 | Very low | 30.7 | Very low | 155 Ų | 155 | 140 Ų | 140 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | cis | -166.4 | 178 | 7.5 | -136.5 | 76.8 | 0 | 0 | 0 | 105.8 | | |
| 428 | D | 28.4 | Very low | 30.8 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | | -167.7 | 176.5 | -54.5 | 176.6 | 53.4 | 0 | 0 | 0 | 110.3 | | |
| 429 | T | 29.3 | Very low | 31.1 | Very low | 118 Ų | 118 | 141 Ų | 141 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | trans | 88.3 | 151.5 | 156.3 | -80.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 430 | M | 29.1 | Very low | 31.1 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 85% | 0.847 | 75% | 0.75 | S | S | * | * | | | trans | -72.2 | -168.8 | -176.8 | -48.8 | -175.4 | 176.6 | 0 | 0 | 113.2 | | |
| 431 | E | 26.8 | Very low | 31.3 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | | | cis | -158.9 | 150.7 | 19.4 | -123 | -167 | 119.7 | 0 | 0 | 107.4 | | |
| 432 | V | 30.2 | Very low | 31.4 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | | | | 58.9 | 151.5 | 96.9 | -174.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 433 | V | 28.4 | Very low | 30.8 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | 87.2 | 115.1 | 177.6 | -169.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 434 | K | 31.4 | Very low | 31.4 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | | | cis | 85.1 | 102.1 | 31 | -168.7 | -154 | 174.4 | -171.7 | 0 | 115.8 | | |
| 435 | M | 32 | Very low | 31.1 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -173.4 | 132.6 | 141.9 | -106.8 | 174.4 | 151.4 | 0 | 0 | 110.1 | | |
| 436 | E | 30.4 | Very low | 31.2 | Very low | 145 Ų | 145 | 151.1 Ų | 151.1 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | | 90 | 108.9 | 98.6 | -163.7 | 179.9 | 147.4 | 0 | 0 | 111.4 | | |
| 437 | E | 33 | Very low | 31.4 | Very low | 188 Ų | 188 | 148.3 Ų | 148.3 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | | | | 52.7 | 128.4 | 90.5 | -165.6 | 175 | -162.6 | 0 | 0 | 113.5 | | |
| 438 | G | 30.6 | Very low | 31.2 | Very low | 63 Ų | 63 | 149.8 Ų | 149.8 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | | | cis | 173.6 | 167.1 | -8.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 439 | K | 37.8 | Very low | 31.4 | Very low | 191 Ų | 191 | 150.4 Ų | 150.4 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | | | trans | 68.8 | 129.9 | 156.4 | -138.6 | -174.4 | -179.1 | 175.1 | 0 | 119.1 | | |
| 440 | N | 30.1 | Very low | 31.6 | Very low | 127 Ų | 127 | 153 Ų | 153 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | | | | 151.5 | 132.5 | 117.2 | -77.2 | -48.4 | 0 | 0 | 0 | 115.6 | | |
| 441 | V | 32.9 | Very low | 32 | Very low | 137 Ų | 137 | 153.5 Ų | 153.5 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | | | trans | 65.5 | 126.4 | 148.5 | 179.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 442 | G | 29.7 | Very low | 32.5 | Very low | 70 Ų | 70 | 154.8 Ų | 154.8 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -112.9 | 173.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 443 | L | 35.2 | Very low | 32.6 | Very low | 182 Ų | 182 | 157.7 Ų | 157.7 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | | | trans | -147.7 | 154.2 | 173.2 | -97.6 | 166.8 | 0 | 0 | 0 | 110.7 | | |
| 444 | K | 40.4 | Very low | 32.5 | Very low | 202 Ų | 202 | 155.2 Ų | 155.2 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | | | trans | -124.2 | 140.8 | -170.8 | 176 | -179.9 | -178.5 | 176 | 0 | 109.9 | | |
| 445 | K | 30 | Very low | 32.2 | Very low | 207 Ų | 207 | 150 Ų | 150 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | | | trans | -146.2 | 140.9 | 171.1 | -144.7 | -167.9 | 171 | -173.6 | 0 | 115.3 | | |
| 446 | R | 30.7 | Very low | 32.2 | Very low | 192 Ų | 192 | 152.2 Ų | 152.2 | 73% | 0.725 | 79% | 0.794 | S | S | * | * | | | trans | -89 | 170.4 | 167.4 | -136.1 | -167 | 164.1 | -152.5 | -16.7 | 108.4 | | |
| 447 | L | 31.5 | Very low | 32.7 | Very low | 80 Ų | 80 | 151.1 Ų | 151.1 | 42% | 0.419 | 80% | 0.799 | S | S | . | * | | | cis | -159.6 | 164.9 | 8.6 | 177.6 | 47.1 | 0 | 0 | 0 | 107.1 | | |
| 448 | E | 28 | Very low | 32.6 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | | 178.3 | 155.7 | 124.6 | -92.9 | 157 | -151.9 | 0 | 0 | 114.5 | | |
| 449 | E | 31.5 | Very low | 32.6 | Very low | 149 Ų | 149 | 152.2 Ų | 152.2 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | | | trans | -120.7 | 164.3 | -168 | -67.3 | 159.1 | 148.1 | 0 | 0 | 108.9 | | |
| 450 | D | 33.3 | Very low | 32.1 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | | | trans | -144.9 | 139.3 | 163.4 | -107 | -26.2 | 0 | 0 | 0 | 108.7 | | |
| 451 | E | 38 | Very low | 32.4 | Very low | 184 Ų | 184 | 151.6 Ų | 151.6 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -133.1 | -177.9 | -178.4 | -79.8 | -159.1 | 140.6 | 0 | 0 | 111.8 | | |
| 452 | E | 37.7 | Very low | 32.6 | Very low | 182 Ų | 182 | 152.2 Ų | 152.2 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | | | trans | 73.8 | 147.9 | 174.5 | -69.9 | -168 | 153.2 | 0 | 0 | 118 | | |
| 453 | E | 31.7 | Very low | 32.7 | Very low | 180 Ų | 180 | 153.9 Ų | 153.9 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | | | cis | -164.8 | 154.9 | -23.9 | -172.1 | -170.9 | -175.7 | 0 | 0 | 106.9 | | |
| 454 | G | 26.6 | Very low | 32.7 | Very low | 76 Ų | 76 | 151.3 Ų | 151.3 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | trans | 157.7 | 101.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 455 | G | 25.7 | Very low | 32.6 | Very low | 79 Ų | 79 | 151.8 Ų | 151.8 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | | | trans | 91.8 | 103.7 | 137.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 456 | F | 31 | Very low | 32.8 | Very low | 206 Ų | 206 | 149.5 Ų | 149.5 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | | | trans | -111.1 | 155.2 | 157.3 | -84.3 | -78.3 | 0 | 0 | 0 | 108.9 | | |
| 457 | P | 41.1 | Very low | 32.8 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | | -157.7 | 162.4 | 83.6 | 40.8 | -20.2 | 0 | 0 | 0 | 119.8 | | |
| 458 | S | 32 | Very low | 33 | Very low | 95 Ų | 95 | 148 Ų | 148 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | | | trans | 72.5 | 120.3 | 143 | -166.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 459 | E | 29.3 | Very low | 33.3 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | | | | -170.8 | 126.7 | 99.2 | -99.2 | -178.2 | -169.3 | 0 | 0 | 115.6 | | |
| 460 | H | 27.8 | Very low | 33.4 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | trans | 43.4 | 101 | 146.5 | -83.9 | -97.7 | 0 | 0 | 0 | 124.9 | | |
| 461 | L | 36.3 | Very low | 33.3 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | | | | 33.1 | 128.7 | 114.8 | -56.5 | 176.1 | 0 | 0 | 0 | 121 | | |
| 462 | T | 37.8 | Very low | 33.2 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | | | | -156 | 146.2 | 112.3 | 20.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 463 | S | 31.4 | Very low | 33.2 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | trans | -109.9 | 148.5 | 175.3 | 167.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 464 | S | 36.2 | Very low | 33.5 | Very low | 128 Ų | 128 | 133 Ų | 133 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | | | trans | -146.5 | 140.7 | 158 | -85.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 465 | R | 36.8 | Very low | 33.9 | Very low | 212 Ų | 212 | 134.4 Ų | 134.4 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | | | trans | -106.9 | 163.4 | -156.4 | -175.7 | -164.7 | -178.1 | -154.2 | 4.4 | 110.1 | | |
| 466 | M | 33.7 | Very low | 34.5 | Very low | 158 Ų | 158 | 138 Ų | 138 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | | | trans | 101.8 | 131.5 | 136.7 | -143.8 | 149.7 | 56.1 | 0 | 0 | 117.6 | | |
| 467 | G | 31.9 | Very low | 34.8 | Very low | 68 Ų | 68 | 136.4 Ų | 136.4 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | 145.7 | 48.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 468 | N | 36 | Very low | 34.7 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | trans | -78.6 | 122.6 | 169.2 | -61.9 | 19.3 | 0 | 0 | 0 | 109.7 | | |
| 469 | A | 33.8 | Very low | 35 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -139.2 | 92.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110 | A471 | A469-A471 PolarHBondContact O-N 3.34Š|
| 470 | S | 33.8 | Very low | 35.2 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -82.3 | 107.1 | 175.2 | 47.7 | 0 | 0 | 0 | 0 | 110.5 | T472 | S470-T472 PolarHBondContact O-N 3.29Š|
| 471 | A | 29.7 | Very low | 35.8 | Very low | 102 Ų | 102 | 140 Ų | 140 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | | | trans | -88.8 | 94.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | A469 E473 | A469-A471 PolarHBondContact O-N 3.34Å; A471-E473 PolarHBondContact O-N 3.15Å |
| 472 | T | 37.6 | Very low | 36 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | | | trans | -82.3 | 96.9 | 173.6 | 48.7 | 0 | 0 | 0 | 0 | 110.4 | S470 | S470-T472 PolarHBondContact O-N 3.29Š|
| 473 | E | 37.5 | Very low | 36.5 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | -101.8 | 101.3 | 165.5 | -168.3 | 169.8 | 175.8 | 0 | 0 | 109.4 | A471 S475 | A471-E473 PolarHBondContact O-N 3.15Å; E473-S475 PolarHBondContact O-N 3.14Å |
| 474 | S | 37.6 | Very low | 37 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | trans | -90.5 | 94.4 | -178.9 | 52.6 | 0 | 0 | 0 | 0 | 110.6 | Q476 | S474-Q476 PolarHBondContact O-N 3.48Å; S474-Q476 VanDerWaalsContact O-N 3.15Å |
| 475 | S | 34.2 | Very low | 37.3 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | trans | -76.8 | 99.1 | 174 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | E473 M477 | E473-S475 PolarHBondContact O-N 3.14Å; S475-M477 PolarHBondContact O-N 3.37Å |
| 476 | Q | 38.7 | Very low | 37.1 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 73% | 0.729 | 81% | 0.805 | S | S | * | * | | | trans | -77.6 | 104.6 | 172 | -78.8 | -176.6 | -28.2 | 0 | 0 | 110.5 | S474 F478 | S474-Q476 PolarHBondContact O-N 3.48Å; S474-Q476 VanDerWaalsContact O-N 3.15Å; Q476-F478 HydrophobicContact CB-CE2 4.36Å |
| 477 | M | 38.1 | Very low | 37.6 | Very low | 172 Ų | 172 | 132 Ų | 132 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | | | trans | -83.8 | 114.7 | 166.8 | -67.7 | -170.1 | -70.8 | 0 | 0 | 110.2 | S475 | S475-M477 PolarHBondContact O-N 3.37Š|
| 478 | F | 37.8 | Very low | 38 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | | | trans | -79.8 | 118.7 | 172.2 | -70.5 | -92 | 0 | 0 | 0 | 110.2 | Q476 | Q476-F478 HydrophobicContact CB-CE2 4.36Š|
| 479 | L | 38.3 | Very low | 38.1 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | | | trans | -88.8 | 109.7 | 169.4 | -70.8 | 171.1 | 0 | 0 | 0 | 109.6 | | |
| 480 | S | 34.5 | Very low | 38.1 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | trans | -81.1 | 117 | 169.8 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | L482 | S480-L482 PolarHBondContact O-N 3.48Š|
| 481 | L | 39.9 | Very low | 38.5 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | | | trans | -67.2 | 108.1 | 167.7 | -81.7 | 140.4 | 0 | 0 | 0 | 109.5 | | |
| 482 | L | 40.6 | Very low | 38.9 | Very low | 162 Ų | 162 | 146 Ų | 146 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | | | trans | -91.6 | 114.2 | 166.4 | -68.1 | 177.6 | 0 | 0 | 0 | 109 | S480 | S480-L482 PolarHBondContact O-N 3.48Š|
| 483 | A | 49.3 | Very low | 39.2 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | | | trans | -85.3 | 106.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 484 | E | 40.6 | Very low | 39.4 | Very low | 171 Ų | 171 | 144 Ų | 144 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | trans | -115.5 | 99.3 | 172.5 | -169.4 | 174.2 | 171.3 | 0 | 0 | 109.9 | | |
| 485 | G | 41.9 | Very low | 39.9 | Very low | 83 Ų | 83 | 147.6 Ų | 147.6 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | | | trans | -95.3 | 111.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 486 | S | 32.9 | Very low | 40.7 | Very low | 86 Ų | 86 | 148.5 Ų | 148.5 | 60% | 0.601 | 80% | 0.803 | S | S | * | * | | | trans | -113.6 | 107.7 | 173.4 | 49.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 487 | S | 44.2 | Very low | 40.9 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -82.2 | 116.1 | 168.7 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 488 | L | 40.2 | Very low | 41.4 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -105.3 | 119.2 | 174.4 | -69.2 | 172.6 | 0 | 0 | 0 | 109.9 | | |
| 489 | R | 38.2 | Very low | 41.9 | Very low | 247 Ų | 247 | 139.8 Ų | 139.8 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | | | trans | -65.6 | 129 | 166.6 | -73.4 | -83.3 | -161 | 106.6 | 3.8 | 108.4 | | |
| 490 | Y | 34.3 | Very low | 42 | Very low | 212 Ų | 212 | 141.5 Ų | 141.5 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | trans | -83.2 | 116.8 | 175.3 | -161.7 | -99 | 0 | 0 | 0 | 109.6 | S492 | Y490-S492 WeakPolarHBondContact CE1-OG 3.07Å; Y490-S492 PolarHBondContact OH-OG 3.35Å |
| 491 | D | 42 | Very low | 42.4 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | -133.1 | 105.4 | 166.7 | -169.2 | 3.8 | 0 | 0 | 0 | 107.9 | | |
| 492 | S | 38.6 | Very low | 42.6 | Very low | 80 Ų | 80 | 141 Ų | 141 | 56% | 0.559 | 79% | 0.793 | S | S | * | * | | | trans | -108.8 | 100.5 | -173.9 | -82 | 0 | 0 | 0 | 0 | 110.4 | Y490 | Y490-S492 WeakPolarHBondContact CE1-OG 3.07Å; Y490-S492 PolarHBondContact OH-OG 3.35Å |
| 493 | S | 44.1 | Very low | 42.7 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | | | trans | -130 | 76 | 166.5 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 494 | M | 41.9 | Very low | 42.1 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -101.1 | 92.5 | 162.5 | -74.4 | -171.5 | 67.7 | 0 | 0 | 108.5 | V496 | M494-V496 PolarHBondContact O-N 3.36Š|
| 495 | Q | 47.8 | Very low | 42.1 | Very low | 184 Ų | 184 | 138 Ų | 138 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -74.1 | 113 | 167.9 | -66 | -176.6 | -72.2 | 0 | 0 | 108.9 | | |
| 496 | V | 50.8 | Low | 41.7 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | | | trans | -94.4 | 99.6 | 169 | -80 | 0 | 0 | 0 | 0 | 109 | M494 | M494-V496 PolarHBondContact O-N 3.36Š|
| 497 | D | 43.7 | Very low | 42 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -75.9 | 125.7 | 162.9 | -170.5 | -0.6 | 0 | 0 | 0 | 108.4 | | |
| 498 | S | 48.6 | Very low | 41.6 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | trans | -151.4 | 69.7 | 179.1 | -76 | 0 | 0 | 0 | 0 | 109.5 | Y500 | S498-Y500 PolarHBondContact O-N 3.39Š|
| 499 | G | 48.1 | Very low | 41.2 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | trans | -64.3 | 94.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 500 | Y | 38.8 | Very low | 41.2 | Very low | 208 Ų | 208 | 133 Ų | 133 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | | | trans | -124.9 | 112.3 | 160.9 | -83.4 | -81.5 | 0 | 0 | 0 | 109.9 | S498 | S498-Y500 PolarHBondContact O-N 3.39Š|
| 501 | T | 44.5 | Very low | 42 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | | | trans | -94.3 | 112.6 | 169.6 | 41.7 | 0 | 0 | 0 | 0 | 110 | | |
| 502 | T | 43 | Very low | 41.7 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -104.9 | 116.8 | 170.5 | 46 | 0 | 0 | 0 | 0 | 110.2 | S504 | T502-S504 PolarHBondContact O-N 3.46Š|
| 503 | I | 44 | Very low | 41.5 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | | | trans | -87.9 | 103.9 | 172.1 | -57.4 | 173.6 | 0 | 0 | 0 | 107.2 | | |
| 504 | S | 37 | Very low | 41.2 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -96.2 | 112.8 | 173 | -170.7 | 0 | 0 | 0 | 0 | 109.7 | T502 | T502-S504 PolarHBondContact O-N 3.46Š|
| 505 | A | 39.1 | Very low | 40.7 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | -86.5 | 113.4 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 506 | G | 34.5 | Very low | 39.9 | Very low | 77 Ų | 77 | 125.8 Ų | 125.8 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 141.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 507 | T | 38.4 | Very low | 38.9 | Very low | 146 Ų | 146 | 125.7 Ų | 125.7 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 121.7 | 167.2 | 44 | 0 | 0 | 0 | 0 | 109.8 | | |
| 508 | A | 37 | Very low | 38.3 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 126 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 509 | S | 31.2 | Very low | 37.2 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 119.1 | 166.2 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 510 | L | 38.4 | Very low | 36.1 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | -109.1 | 102.6 | 172 | -70.2 | 176.6 | 0 | 0 | 0 | 109 | | |
| 511 | I | 49.6 | Very low | 35.8 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | | | trans | -86.4 | 128.1 | 149.9 | 51 | 154.5 | 0 | 0 | 0 | 107.4 | | |
| 512 | D | 37.3 | Very low | 35 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -139 | 137.2 | 162.4 | -163.4 | 8.7 | 0 | 0 | 0 | 108.8 | | |
| 513 | G | 34.1 | Very low | 34.3 | Very low | 68 Ų | 68 | 132.9 Ų | 132.9 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -130.1 | 112.5 | -174 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 514 | I | 38.3 | Very low | 33.6 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | | | trans | -125.8 | 140.9 | 170.4 | 53.7 | 172.3 | 0 | 0 | 0 | 111.4 | | |
| 515 | S | 30.4 | Very low | 33.2 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -95.3 | 176.4 | -178 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 516 | S | 31.2 | Very low | 32.7 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | | | trans | 78.3 | 143.2 | 159.9 | -152.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 517 | D | 29.5 | Very low | 32.6 | Very low | 120 Ų | 120 | 135 Ų | 135 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | | | cis | -169.6 | 155.2 | -24 | -105.9 | -51.4 | 0 | 0 | 0 | 110.9 | | |
| 518 | F | 30.8 | Very low | 32.1 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | 57 | 133.3 | 147.3 | -86.4 | -74.8 | 0 | 0 | 0 | 125.8 | | |
| 519 | Q | 27.1 | Very low | 31.8 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 109.6 | 142 | 131.2 | -87.2 | -161.6 | 85.6 | 0 | 0 | 124 | | |
| 520 | S | 24.6 | Very low | 31.7 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | 76.8 | 117.1 | 172.8 | 68.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 521 | K | 31.3 | Very low | 31.3 | Very low | 206 Ų | 206 | 140.2 Ų | 140.2 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | | | cis | 96.8 | 132.8 | 22.3 | -160.8 | -175.4 | -174.7 | -172.7 | 0 | 113.3 | | |
| 522 | E | 29.2 | Very low | 30.2 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | | | trans | 84.4 | 129.6 | -173.5 | 98.8 | -170.2 | -170.1 | 0 | 0 | 115.1 | | |
| 523 | S | 28.4 | Very low | 29.9 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | cis | 107.4 | 111.4 | 3.9 | 82 | 0 | 0 | 0 | 0 | 116.8 | | |
| 524 | I | 28.8 | Very low | 30.3 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | | 158.6 | 126.4 | 121.1 | -80.8 | 156 | 0 | 0 | 0 | 113.5 | | |
| 525 | S | 27.6 | Very low | 30.2 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | 63.9 | 152.8 | 154.1 | 74.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 526 | S | 30.2 | Very low | 30.3 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | | | cis | -173.4 | 141.6 | -23.8 | 51.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 527 | N | 30.7 | Very low | 30.3 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | 169 | 91.3 | 143.7 | -84.5 | -20 | 0 | 0 | 0 | 107.3 | | |
| 528 | Q | 28.1 | Very low | 30.7 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | | 84.5 | 89.6 | 93.1 | -165.8 | 168.8 | 102.4 | 0 | 0 | 111.1 | | |
| 529 | V | 31 | Very low | 30.7 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | | | | 87.4 | 138.1 | 94.2 | 162.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 530 | E | 29.3 | Very low | 31.3 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | cis | -141.4 | 133.7 | 17.2 | -135.5 | 133.4 | -146.2 | 0 | 0 | 107.5 | | |
| 531 | E | 29.7 | Very low | 31.8 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | | 72.7 | 139 | 97.1 | -126.3 | -162.7 | -178 | 0 | 0 | 113.8 | | |
| 532 | V | 27.8 | Very low | 32 | Very low | 118 Ų | 118 | 148 Ų | 148 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | | | cis | -148.9 | 139.2 | 26.2 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 533 | F | 30.7 | Very low | 32.3 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -94.4 | -171.7 | 167.4 | -84.5 | -80.9 | 0 | 0 | 0 | 110 | | |
| 534 | P | 42.7 | Very low | 32.4 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | cis | -143.8 | 179.8 | 8.2 | 37.1 | -13.6 | 0 | 0 | 0 | 118.3 | | |
| 535 | V | 35.9 | Very low | 32.8 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | trans | -57.6 | 155 | 159.6 | 171 | 0 | 0 | 0 | 0 | 113.3 | | |
| 536 | T | 30.9 | Very low | 33.2 | Very low | 127 Ų | 127 | 153.4 Ų | 153.4 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | | | trans | -145 | 118.2 | 149 | -3.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 537 | R | 33.1 | Very low | 34.1 | Very low | 244 Ų | 244 | 153.9 Ų | 153.9 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -124.5 | 123.7 | 155.5 | -83.2 | -171 | 175.5 | -177 | 0.2 | 107.8 | | |
| 538 | L | 37.5 | Very low | 34.4 | Very low | 157 Ų | 157 | 158.7 Ų | 158.7 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -91.4 | 120.6 | -176 | -83.5 | 161.3 | 0 | 0 | 0 | 111.8 | | |
| 539 | S | 30.4 | Very low | 34.8 | Very low | 106 Ų | 106 | 155.8 Ų | 155.8 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | -77.1 | 139.5 | 158.6 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 540 | K | 40.1 | Very low | 35.2 | Very low | 207 Ų | 207 | 158.1 Ų | 158.1 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | | | trans | -119 | 135 | 164.4 | -86 | -173.4 | 175.2 | 178.1 | 0 | 111.3 | | |
| 541 | V | 35.3 | Very low | 35.9 | Very low | 142 Ų | 142 | 160.7 Ų | 160.7 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | | | trans | -86.7 | 150.2 | -175.8 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 542 | K | 33.8 | Very low | 36.2 | Very low | 170 Ų | 170 | 160.2 Ų | 160.2 | 74% | 0.739 | 84% | 0.836 | S | S | * | * | | | trans | -80.5 | 134.5 | -178.8 | -169.4 | 175.6 | -171.7 | 175.4 | 0 | 111.1 | F544 | K542-F544 HydrophobicContact CD-CE2 3.96Å; K542-F544 VanDerWaalsContact CE-CE2 3.49Å; K542-F544 HydrophobicContact CG-CD2 4.46Å; K542-F544 HydrophobicContact CG-CE2 4.33Å |
| 543 | A | 36 | Very low | 36.6 | Very low | 95 Ų | 95 | 162.4 Ų | 162.4 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | | | trans | -124.2 | 127.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 544 | F | 31.2 | Very low | 37 | Very low | 172 Ų | 172 | 160.4 Ų | 160.4 | 75% | 0.754 | 84% | 0.841 | S | S | * | * | | | trans | -96.4 | 140.4 | 174.6 | -84.4 | -93.2 | 0 | 0 | 0 | 110.3 | K542 | K542-F544 HydrophobicContact CD-CE2 3.96Å; K542-F544 VanDerWaalsContact CE-CE2 3.49Å; K542-F544 HydrophobicContact CG-CD2 4.46Å; K542-F544 HydrophobicContact CG-CE2 4.33Å |
| 545 | H | 36.6 | Very low | 36.6 | Very low | 192 Ų | 192 | 163.1 Ų | 163.1 | 89% | 0.889 | 85% | 0.846 | S | S | * | * | | | trans | -123.5 | 133.4 | 159.4 | -90.2 | -73.2 | 0 | 0 | 0 | 109.8 | | |
| 546 | H | 36.8 | Very low | 36.7 | Very low | 185 Ų | 185 | 165.5 Ų | 165.5 | 86% | 0.856 | 85% | 0.852 | S | S | * | * | | | trans | -89.4 | 159.3 | 173.4 | -126.2 | -8.3 | 0 | 0 | 0 | 110.1 | | |
| 547 | P | 47.8 | Very low | 37.1 | Very low | 106 Ų | 106 | 168.1 Ų | 168.1 | 69% | 0.688 | 86% | 0.857 | S | S | * | * | | | trans | -81.7 | 163.5 | -166.6 | 35.1 | -36.9 | 0 | 0 | 0 | 113.2 | | |
| 548 | R | 38.3 | Very low | 37.3 | Very low | 254 Ų | 254 | 162.6 Ų | 162.6 | 96% | 0.958 | 85% | 0.852 | S | S | * | * | | | trans | -121.6 | 141.4 | 158.5 | -83.5 | -172.6 | 170.1 | 173.6 | -2.3 | 110.6 | | |
| 549 | C | 37.1 | Very low | 37.3 | Very low | 112 Ų | 112 | 163.1 Ų | 163.1 | 76% | 0.757 | 85% | 0.854 | S | S | * | * | | | trans | -80 | 160.5 | -178.8 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 550 | L | 37.4 | Very low | 37.9 | Very low | 166 Ų | 166 | 167.8 Ų | 167.8 | 87% | 0.869 | 86% | 0.864 | S | S | * | * | | | trans | 51.8 | 112 | 145.1 | -64.6 | 162.4 | 0 | 0 | 0 | 118.3 | | |
| 551 | T | 44.6 | Very low | 37.7 | Very low | 213 Ų | 213 | 164.3 Ų | 164.3 | 100% | 1.307 | 86% | 0.86 | S | S | * | * | | | | -155.3 | 0 | 89.6 | 40.4 | 0 | 0 | 0 | 0 | 109.8 | | |