| 1 | M | 39.7 | Very low | 34.4 | Very low | 212 Ų | 212 | 105.1 Ų | 105.1 | 100% | 1.044 | 56% | 0.562 | S | S | * | * | | | | 0 | 114.4 | 0 | -160 | 159.6 | 124.6 | 0 | 0 | 106.9 | | |
| 2 | V | 31.5 | Very low | 34.7 | Very low | 106 Ų | 106 | 107.8 Ų | 107.8 | 64% | 0.642 | 57% | 0.568 | S | S | * | * | | | trans | -96.5 | 128 | -174.2 | -178.8 | 0 | 0 | 0 | 0 | 109 | T121 | V2-T121 HydrophobicContact CG1-CG2 4.41Š|
| 3 | P | 33.4 | Very low | 34.7 | Very low | 63 Ų | 63 | 114.1 Ų | 114.1 | 41% | 0.409 | 59% | 0.588 | S | S | . | * | | | trans | -70.5 | 133.8 | 175.5 | 25 | -29.7 | 0 | 0 | 0 | 111.8 | M88 P122 | P3-M88 HydrophobicContact CB-CE 3.72Å; P3-M88 HydrophobicContact CB-CG 3.84Å; P3-M88 HydrophobicContact CB-SD 3.24Å; P3-M88 WeakPolarHBondContact CB-SD 3.48Å; P3-M88 HydrophobicContact CG-SD 4.08Å; P3-P122 WeakPolarHBondContact O-CD 3.16Å |
| 4 | I | 31.8 | Very low | 34.7 | Very low | 80 Ų | 80 | 120 Ų | 120 | 41% | 0.41 | 61% | 0.607 | S | S | . | * | | | trans | -106.8 | 128.6 | 171.4 | -59.5 | 175.6 | 0 | 0 | 0 | 108.1 | V6 A119 | I4-V6 HydrophobicContact CG2-CG2 4.26Å; I4-A119 HydrophobicContact CG2-CB 3.71Å |
| 5 | A | 33.4 | Very low | 34.9 | Very low | 15 Ų | 15 | 117.5 Ų | 117.5 | 12% | 0.124 | 61% | 0.613 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | V86 | A5-V86 HydrophobicContact CB-CG1 3.47Å; A5-V86 VanDerWaalsContact CB-CG1 3.47Å |
| 6 | V | 34.8 | Very low | 34.7 | Very low | 35 Ų | 35 | 118.1 Ų | 118.1 | 21% | 0.212 | 62% | 0.623 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.2 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | I4 F8 A117 | I4-V6 HydrophobicContact CG2-CG2 4.26Å; V6-F8 HydrophobicContact CB-CE2 4.34Å; V6-F8 HydrophobicContact CG1-CD2 4.4Å; V6-F8 HydrophobicContact CG1-CE1 4.06Å; V6-F8 HydrophobicContact CG1-CE2 3.8Å; V6-F8 HydrophobicContact CG1-CZ 3.62Å; V6-A117 HydrophobicContact CG1-CB 3.99Å |
| 7 | N | 35.5 | Very low | 35 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 70% | 0.701 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.8 | 173.4 | -88.3 | -43.8 | 0 | 0 | 0 | 110.2 | | |
| 8 | F | 35.7 | Very low | 35.2 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 54% | 0.544 | 65% | 0.653 | S | S | . | * | | | trans | -107.1 | 119.8 | 173.4 | -64.2 | -77.3 | 0 | 0 | 0 | 110.1 | V6 L115 A117 | V6-F8 HydrophobicContact CB-CE2 4.34Å; V6-F8 HydrophobicContact CG1-CD2 4.4Å; V6-F8 HydrophobicContact CG1-CE1 4.06Å; V6-F8 HydrophobicContact CG1-CE2 3.8Å; V6-F8 HydrophobicContact CG1-CZ 3.62Å; F8-L115 HydrophobicContact CD1-CD2 3.68Å; F8-L115 HydrophobicContact CE1-CD2 3.61Å; F8-A117 HydrophobicContact CE1-CB 4.25Å |
| 9 | S | 31.9 | Very low | 35.3 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | | | trans | -104.7 | 120.7 | 171 | -71.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 10 | Y | 34.5 | Very low | 35.4 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 66% | 0.663 | 67% | 0.669 | S | S | * | * | | | trans | -92.6 | 121.4 | 175.4 | -167.1 | -85 | 0 | 0 | 0 | 110.7 | H12 | Y10-H12 AromaticContact CD1-ND1 3.33Å; Y10-H12 VanDerWaalsContact CD1-ND1 3.33Å; Y10-H12 WeakPolarHBondContact CD1-ND1 3.4Å; Y10-H12 AromaticContact CE1-CE1 3.66Å; Y10-H12 AromaticContact CE1-CG 3.98Å; Y10-H12 AromaticContact CE1-ND1 3.14Å; Y10-H12 WeakPolarHBondContact CE1-ND1 3.24Å |
| 11 | V | 36.9 | Very low | 35.2 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 70% | 0.703 | 68% | 0.675 | S | S | * | * | | | trans | -92.5 | 111.3 | 172.4 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | K13 | V11-K13 PolarHBondContact O-N 3.36Š|
| 12 | H | 37.8 | Very low | 35.1 | Very low | 137 Ų | 137 | 127 Ų | 127 | 63% | 0.634 | 67% | 0.666 | S | S | * | * | | | trans | -76.8 | 108.7 | 173.7 | -114.4 | 69.9 | 0 | 0 | 0 | 109.8 | Y10 | Y10-H12 AromaticContact CD1-ND1 3.33Å; Y10-H12 VanDerWaalsContact CD1-ND1 3.33Å; Y10-H12 WeakPolarHBondContact CD1-ND1 3.4Å; Y10-H12 AromaticContact CE1-CE1 3.66Å; Y10-H12 AromaticContact CE1-CG 3.98Å; Y10-H12 AromaticContact CE1-ND1 3.14Å; Y10-H12 WeakPolarHBondContact CE1-ND1 3.24Å |
| 13 | K | 34.3 | Very low | 35.1 | Very low | 190 Ų | 190 | 129.1 Ų | 129.1 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | | | trans | -84.5 | 121.8 | 162.5 | -81.2 | -172.4 | 175.4 | -178.6 | 0 | 108.8 | V11 A15 | V11-K13 PolarHBondContact O-N 3.36Å; K13-A15 PolarHBondContact O-N 3.25Å; K13-A15 VanDerWaalsContact O-N 3.16Å |
| 14 | K | 34.9 | Very low | 35.1 | Very low | 197 Ų | 197 | 129.5 Ų | 129.5 | 86% | 0.857 | 69% | 0.689 | S | S | * | * | | | trans | -65.8 | 108.7 | 177.4 | -172.4 | 178.5 | -177.6 | -179.5 | 0 | 109.5 | | |
| 15 | A | 37.1 | Very low | 35.3 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | | | trans | -94.4 | 107.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | K13 R17 | K13-A15 PolarHBondContact O-N 3.25Å; K13-A15 VanDerWaalsContact O-N 3.16Å; A15-R17 PolarHBondContact O-N 2.95Å |
| 16 | T | 32.8 | Very low | 35.4 | Very low | 127 Ų | 127 | 144 Ų | 144 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | | | trans | -70.8 | 100.1 | 165.1 | 37.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 17 | R | 39.9 | Very low | 35.6 | Very low | 224 Ų | 224 | 148.9 Ų | 148.9 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -108.2 | 119.9 | 166.8 | -75.3 | -169 | 177.1 | -167 | 0.6 | 109.5 | A15 L19 | A15-R17 PolarHBondContact O-N 2.95Å; R17-L19 PolarHBondContact O-N 3.26Å |
| 18 | R | 37.6 | Very low | 35.6 | Very low | 247 Ų | 247 | 145.4 Ų | 145.4 | 93% | 0.932 | 78% | 0.775 | S | S | * | * | | | trans | -61.5 | 124.5 | 177.6 | -62.1 | 171.5 | 81.2 | -178.3 | 4 | 108.5 | G20 | R18-G20 PolarHBondContact O-N 3.16Š|
| 19 | L | 37.5 | Very low | 35.8 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 95% | 0.948 | 79% | 0.786 | S | S | * | * | | | trans | -70.2 | 109.3 | 179.2 | -122.7 | 82.7 | 0 | 0 | 0 | 109.1 | R17 | R17-L19 PolarHBondContact O-N 3.26Š|
| 20 | G | 37 | Very low | 36.2 | Very low | 66 Ų | 66 | 148.5 Ų | 148.5 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | | | trans | -95.6 | 127.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | R18 | R18-G20 PolarHBondContact O-N 3.16Š|
| 21 | T | 30.6 | Very low | 36.4 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | | | trans | -50.7 | 124.6 | -174.3 | -15.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 22 | V | 37.8 | Very low | 36.3 | Very low | 142 Ų | 142 | 153.1 Ų | 153.1 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -123.5 | 118.2 | 155.8 | 177.3 | 0 | 0 | 0 | 0 | 106.5 | | |
| 23 | D | 33.2 | Very low | 36.1 | Very low | 149 Ų | 149 | 151.7 Ų | 151.7 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -54.4 | 145.6 | -172.5 | -62.2 | -62.4 | 0 | 0 | 0 | 114.3 | | |
| 24 | G | 32.1 | Very low | 36.1 | Very low | 72 Ų | 72 | 147.3 Ų | 147.3 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | 127 | -3.4 | 142.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 25 | L | 36.8 | Very low | 35.9 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | | | trans | -113 | 104.2 | -177.7 | -62.7 | 178.7 | 0 | 0 | 0 | 112.2 | | |
| 26 | R | 34.8 | Very low | 35.8 | Very low | 227 Ų | 227 | 150.6 Ų | 150.6 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | trans | -47.3 | 128.1 | 172.8 | -95.2 | -179.5 | 165.2 | -179.7 | -3.8 | 110.8 | G28 | R26-G28 PolarHBondContact O-N 3.31Å; R26-G28 VanDerWaalsContact O-N 3.1Å |
| 27 | P | 39.8 | Very low | 35.9 | Very low | 138 Ų | 138 | 155.7 Ų | 155.7 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 94.8 | 173 | 30.8 | -29.6 | 0 | 0 | 0 | 108.1 | | |
| 28 | G | 35.4 | Very low | 35.8 | Very low | 58 Ų | 58 | 150.7 Ų | 150.7 | 60% | 0.598 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.5 | -30 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | R26 | R26-G28 PolarHBondContact O-N 3.31Å; R26-G28 VanDerWaalsContact O-N 3.1Å |
| 29 | D | 40 | Very low | 35.5 | Very low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -107.9 | 4.2 | -170.5 | -67.9 | -51.2 | 0 | 0 | 0 | 114.8 | D31 | D29-D31 VanDerWaalsContact C-N 3.27Å; D29-D31 PolarHBondContact O-N 3.46Å |
| 30 | L | 38.8 | Very low | 35.5 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 19.4 | -179.2 | -148.4 | 92.9 | 0 | 0 | 0 | 113.9 | | |
| 31 | D | 38.9 | Very low | 35.3 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | -0.1 | -174.2 | -129 | 9.5 | 0 | 0 | 0 | 114.3 | D29 | D29-D31 VanDerWaalsContact C-N 3.27Å; D29-D31 PolarHBondContact O-N 3.46Å |
| 32 | R | 35.3 | Very low | 35.5 | Very low | 242 Ų | 242 | 143.9 Ų | 143.9 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -114.6 | -5.4 | 178.5 | -91.1 | -179.4 | 171.6 | 149.5 | -1.9 | 116.2 | | |
| 33 | S | 33.9 | Very low | 35.1 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -98.9 | -0.6 | -175.7 | -42.6 | 0 | 0 | 0 | 0 | 113.7 | S35 | S33-S35 PolarHBondContact O-N 2.95Š|
| 34 | S | 33.6 | Very low | 34.8 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | trans | -96.1 | 36.4 | -172 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 35 | S | 32.2 | Very low | 34.6 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | -136.6 | 19.7 | -178.1 | -162.8 | 0 | 0 | 0 | 0 | 116.2 | S33 | S33-S35 PolarHBondContact O-N 2.95Š|
| 36 | R | 33.6 | Very low | 34.4 | Very low | 245 Ų | 245 | 143.4 Ų | 143.4 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | -108.3 | 84.5 | 167.6 | -75.6 | -171.9 | -178.1 | -137.9 | 1.8 | 110.7 | P38 | R36-P38 VanDerWaalsContact O-CD 3.29Å; R36-P38 WeakPolarHBondContact O-CD 3.14Å |
| 37 | R | 35 | Very low | 34.5 | Very low | 233 Ų | 233 | 138.4 Ų | 138.4 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | | | trans | -63.1 | 115.1 | 163.2 | -73.4 | 176.8 | 165.7 | 173.4 | -2.3 | 108.8 | S39 | R37-S39 VanDerWaalsContact C-N 3.32Å; R37-S39 PolarHBondContact O-N 3.43Å; R37-S39 VanDerWaalsContact O-N 3.16Å |
| 38 | P | 38.3 | Very low | 34.1 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | trans | -84 | 85.5 | 162.4 | 26.7 | -13.5 | 0 | 0 | 0 | 107 | R36 V40 | R36-P38 VanDerWaalsContact O-CD 3.29Å; R36-P38 WeakPolarHBondContact O-CD 3.14Å; P38-V40 PolarHBondContact O-N 3.04Å |
| 39 | S | 31.3 | Very low | 34.1 | Very low | 84 Ų | 84 | 139.8 Ų | 139.8 | 59% | 0.587 | 75% | 0.75 | S | S | * | * | | | trans | -79.9 | 89.5 | 167.8 | 50 | 0 | 0 | 0 | 0 | 108.8 | R37 H41 | R37-S39 VanDerWaalsContact C-N 3.32Å; R37-S39 PolarHBondContact O-N 3.43Å; R37-S39 VanDerWaalsContact O-N 3.16Å; S39-H41 PolarHBondContact O-N 3.09Å |
| 40 | V | 37.8 | Very low | 33.6 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | trans | -78.4 | 102.7 | 169.2 | -173.7 | 0 | 0 | 0 | 0 | 107.8 | P38 V42 | P38-V40 PolarHBondContact O-N 3.04Å; V40-V42 HydrophobicContact CG1-CG2 3.98Å |
| 41 | H | 31.2 | Very low | 33.4 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 78% | 0.778 | 74% | 0.736 | S | S | * | * | | | trans | -84 | 109 | 170.1 | -74.3 | 91.8 | 0 | 0 | 0 | 108.6 | S39 | S39-H41 PolarHBondContact O-N 3.09Š|
| 42 | V | 36.1 | Very low | 33.2 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 63% | 0.63 | 74% | 0.739 | S | S | * | * | | | trans | -98.3 | 104.2 | 168.9 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | V40 | V40-V42 HydrophobicContact CG1-CG2 3.98Š|
| 43 | K | 30.1 | Very low | 33.2 | Very low | 200 Ų | 200 | 129 Ų | 129 | 87% | 0.87 | 72% | 0.715 | S | S | * | * | | | trans | -76.1 | 125.7 | 169.3 | -99 | 174.4 | 171.6 | 178.3 | 0 | 108.1 | | |
| 44 | S | 26.6 | Very low | 33.3 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 90% | 0.895 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 48.8 | 90.2 | 157.4 | 178 | 0 | 0 | 0 | 0 | 115.7 | | |
| 45 | G | 28.2 | Very low | 33.1 | Very low | 58 Ų | 58 | 131.9 Ų | 131.9 | 60% | 0.598 | 72% | 0.718 | S | S | * | * | | | trans | -178.4 | 125.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N47 | G45-N47 VanDerWaalsContact C-N 3.26Å; G45-N47 PolarHBondContact O-N 3.06Å |
| 46 | V | 31.4 | Very low | 33 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 85% | 0.848 | 69% | 0.694 | S | S | * | * | | | trans | -57.7 | 94.4 | 165 | 177.9 | 0 | 0 | 0 | 0 | 106.7 | M48 | V46-M48 PolarHBondContact O-N 3.21Å; V46-M48 VanDerWaalsContact O-N 3.15Å |
| 47 | N | 36.6 | Very low | 33.1 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 65% | 0.647 | 68% | 0.684 | S | S | * | * | | | trans | -86 | 93.3 | -178.6 | -143.3 | 15.9 | 0 | 0 | 0 | 107.2 | G45 V49 | G45-N47 VanDerWaalsContact C-N 3.26Å; G45-N47 PolarHBondContact O-N 3.06Å; N47-V49 VanDerWaalsContact C-N 3.32Å; N47-V49 PolarHBondContact O-N 3.21Å |
| 48 | M | 31.2 | Very low | 33.1 | Very low | 161 Ų | 161 | 119.5 Ų | 119.5 | 79% | 0.793 | 68% | 0.675 | S | S | * | * | | | trans | -62.6 | 97.4 | 168.3 | -76.5 | -169.9 | -61.5 | 0 | 0 | 107.9 | V46 T50 | V46-M48 PolarHBondContact O-N 3.21Å; V46-M48 VanDerWaalsContact O-N 3.15Å; M48-T50 PolarHBondContact O-N 3.47Å; M48-T50 VanDerWaalsContact O-N 3.15Å |
| 49 | V | 35.5 | Very low | 32.6 | Very low | 64 Ų | 64 | 121.8 Ų | 121.8 | 39% | 0.388 | 68% | 0.679 | S | S | . | * | | | trans | -82.9 | 93.4 | 168.1 | -173 | 0 | 0 | 0 | 0 | 107.1 | N47 A51 L54 | N47-V49 VanDerWaalsContact C-N 3.32Å; N47-V49 PolarHBondContact O-N 3.21Å; V49-A51 PolarHBondContact O-N 2.95Å; V49-L54 HydrophobicContact CB-CD1 4.3Å; V49-L54 HydrophobicContact CG1-CB 4.13Å; V49-L54 HydrophobicContact CG1-CD1 3.54Å; V49-L54 HydrophobicContact CG1-CG 3.64Å |
| 50 | T | 29.9 | Very low | 32.4 | Very low | 89 Ų | 89 | 120.2 Ų | 120.2 | 55% | 0.546 | 68% | 0.676 | S | S | . | * | | | trans | -55.2 | 128.6 | 158.9 | 35.3 | 0 | 0 | 0 | 0 | 106.9 | M48 K52 E53 | M48-T50 PolarHBondContact O-N 3.47Å; M48-T50 VanDerWaalsContact O-N 3.15Å; T50-K52 PolarHBondContact O-N 3.22Å; T50-E53 PolarHBondContact O-N 3.12Å |
| 51 | A | 35.3 | Very low | 31.8 | Very low | 85 Ų | 85 | 121 Ų | 121 | 70% | 0.702 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -4.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | V49 E53 | V49-A51 PolarHBondContact O-N 2.95Å; A51-E53 VanDerWaalsContact C-N 3.3Å |
| 52 | K | 34.9 | Very low | 31.7 | Very low | 188 Ų | 188 | 118 Ų | 118 | 82% | 0.817 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -25.6 | 165.2 | -110 | 174.6 | 175.5 | 176.8 | 0 | 113.9 | T50 A56 | T50-K52 PolarHBondContact O-N 3.22Å; K52-A56 WeakPolarHBondContact O-CB 3.33Å |
| 53 | E | 34.2 | Very low | 31.4 | Very low | 87 Ų | 87 | 121.1 Ų | 121.1 | 41% | 0.407 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.6 | -5.1 | -175.2 | -82.3 | -162.3 | 126.1 | 0 | 0 | 115.5 | T50 A51 A56 T57 R58 | T50-E53 PolarHBondContact O-N 3.12Å; A51-E53 VanDerWaalsContact C-N 3.3Å; E53-A56 CarbonylContact O-C 3.06Å; E53-A56 PolarHBondContact O-N 2.83Å; E53-T57 PolarHBondContact O-N 3.46Å; E53-T57 PolarHBondContact O-OG1 2.94Å; E53-R58 IonicContact OE1-CZ 3.9Å; E53-R58 IonicContact OE1-NH2 2.93Å; E53-R58 PolarHBondContact OE1-NH2 3.43Å |
| 54 | L | 35.6 | Very low | 31.4 | Very low | 131 Ų | 131 | 114.9 Ų | 114.9 | 69% | 0.686 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -17.4 | 170.4 | -102.7 | 164 | 0 | 0 | 0 | 113.8 | V49 A56 | V49-L54 HydrophobicContact CB-CD1 4.3Å; V49-L54 HydrophobicContact CG1-CB 4.13Å; V49-L54 HydrophobicContact CG1-CD1 3.54Å; V49-L54 HydrophobicContact CG1-CG 3.64Å; L54-A56 VanDerWaalsContact C-N 3.31Å |
| 55 | T | 31.2 | Very low | 31.7 | Very low | 134 Ų | 134 | 115.2 Ų | 115.2 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -86.6 | -11.9 | 163.1 | -43.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 56 | A | 29.5 | Very low | 31.9 | Very low | 26 Ų | 26 | 122.4 Ų | 122.4 | 22% | 0.215 | 68% | 0.681 | C | S | . | * | | | trans | -133.8 | 44.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K52 E53 L54 R58 L59 | K52-A56 WeakPolarHBondContact O-CB 3.33Å; E53-A56 CarbonylContact O-C 3.06Å; E53-A56 PolarHBondContact O-N 2.83Å; L54-A56 VanDerWaalsContact C-N 3.31Å; A56-R58 WeakPolarHBondContact O-CG 3.48Å; A56-R58 PolarHBondContact O-N 3.25Å; A56-L59 HydrophobicContact CB-CD1 4.43Å |
| 57 | T | 35.1 | Very low | 32.3 | Very low | 119 Ų | 119 | 122 Ų | 122 | 73% | 0.73 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -75.9 | 58.8 | 139.1 | -51.2 | 0 | 0 | 0 | 0 | 106.4 | E53 | E53-T57 PolarHBondContact O-N 3.46Å; E53-T57 PolarHBondContact O-OG1 2.94Å |
| 58 | R | 34.6 | Very low | 32.3 | Very low | 179 Ų | 179 | 119.1 Ų | 119.1 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | | | | 77.7 | 84.7 | 114.5 | -68.6 | -177.8 | -171.4 | -174.2 | -0.2 | 105.9 | E53 A56 G60 | E53-R58 IonicContact OE1-CZ 3.9Å; E53-R58 IonicContact OE1-NH2 2.93Å; E53-R58 PolarHBondContact OE1-NH2 3.43Å; A56-R58 WeakPolarHBondContact O-CG 3.48Å; A56-R58 PolarHBondContact O-N 3.25Å; R58-G60 PolarHBondContact O-N 3.48Å |
| 59 | L | 27.9 | Very low | 32.6 | Very low | 168 Ų | 168 | 116.3 Ų | 116.3 | 88% | 0.88 | 67% | 0.668 | S | S | * | * | | | | 36.7 | 39.2 | 79.9 | -67 | 167.1 | 0 | 0 | 0 | 111 | A56 | A56-L59 HydrophobicContact CB-CD1 4.43Š|
| 60 | G | 27.4 | Very low | 32.7 | Very low | 50 Ų | 50 | 119.3 Ų | 119.3 | 52% | 0.515 | 68% | 0.681 | S | S | . | * | | | trans | -84.4 | 105.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | R58 V62 | R58-G60 PolarHBondContact O-N 3.48Å; G60-V62 PolarHBondContact O-N 2.8Å |
| 61 | T | 25 | Very low | 33.1 | Very low | 140 Ų | 140 | 121.8 Ų | 121.8 | 86% | 0.859 | 69% | 0.691 | S | S | * | * | | | trans | -7.8 | 94.4 | 149.8 | 47.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 62 | V | 29.9 | Very low | 33 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 64% | 0.642 | 69% | 0.687 | S | S | * | * | | | trans | -141.4 | 88.7 | 156.9 | -168 | 0 | 0 | 0 | 0 | 106.5 | G60 G64 L65 | G60-V62 PolarHBondContact O-N 2.8Å; V62-G64 PolarHBondContact O-N 3.31Å; V62-G64 VanDerWaalsContact O-N 3.14Å; V62-L65 HydrophobicContact CG1-CD1 4.47Å |
| 63 | D | 28.8 | Very low | 33.1 | Very low | 169 Ų | 169 | 119.8 Ų | 119.8 | 90% | 0.904 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.1 | 118.2 | 161.1 | -67.7 | -53.2 | 0 | 0 | 0 | 108.7 | | |
| 64 | G | 31.5 | Very low | 33.2 | Very low | 70 Ų | 70 | 120.6 Ų | 120.6 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.5 | 3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | V62 | V62-G64 PolarHBondContact O-N 3.31Å; V62-G64 VanDerWaalsContact O-N 3.14Å |
| 65 | L | 31.4 | Very low | 33.2 | Very low | 135 Ų | 135 | 118.3 Ų | 118.3 | 71% | 0.707 | 68% | 0.68 | S | S | * | * | | | trans | -95.5 | 115.1 | -180 | -64.8 | 178.8 | 0 | 0 | 0 | 112.9 | V62 | V62-L65 HydrophobicContact CG1-CD1 4.47Š|
| 66 | R | 32.6 | Very low | 33.2 | Very low | 208 Ų | 208 | 120.6 Ų | 120.6 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | | | trans | -68.4 | 150.7 | -174.7 | -80.1 | 179.9 | 158.8 | -172.5 | -5.2 | 111.9 | G68 D69 | R66-G68 PolarHBondContact O-N 3.27Å; R66-D69 PolarHBondContact O-N 3.1Å |
| 67 | P | 41.1 | Very low | 33.5 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 0.8 | -179.3 | -23.1 | 32.7 | 0 | 0 | 0 | 117.1 | | |
| 68 | G | 36 | Very low | 33.4 | Very low | 60 Ų | 60 | 128.6 Ų | 128.6 | 62% | 0.619 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -16.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R66 | R66-G68 PolarHBondContact O-N 3.27Š|
| 69 | D | 37.6 | Very low | 33.3 | Very low | 102 Ų | 102 | 125 Ų | 125 | 55% | 0.545 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -87.7 | -12.2 | -175.4 | -65.8 | -46.8 | 0 | 0 | 0 | 113.5 | R66 D71 R72 A73 | R66-D69 PolarHBondContact O-N 3.1Å; D69-D71 VanDerWaalsContact C-N 3.31Å; D69-D71 PolarHBondContact O-N 2.83Å; D69-R72 PolarHBondContact O-N 3.15Å; D69-A73 PolarHBondContact O-N 2.92Å |
| 70 | L | 38.3 | Very low | 33.7 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -68.7 | -30.7 | -178.4 | -153.8 | 73.6 | 0 | 0 | 0 | 112.1 | R72 A73 T74 | L70-R72 PolarHBondContact O-N 3.31Å; L70-A73 PolarHBondContact O-N 3.15Å; L70-T74 WeakPolarHBondContact O-CG2 3.34Å; L70-T74 PolarHBondContact O-N 2.79Å; L70-T74 VanDerWaalsContact O-N 3.1Å; L70-T74 PolarHBondContact O-OG1 2.85Å |
| 71 | D | 36.4 | Very low | 33.9 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -71.1 | -19.4 | -179.8 | -118.7 | 8.5 | 0 | 0 | 0 | 113 | D69 T74 | D69-D71 VanDerWaalsContact C-N 3.31Å; D69-D71 PolarHBondContact O-N 2.83Å; D71-T74 PolarHBondContact O-OG1 2.84Å |
| 72 | R | 35.1 | Very low | 34.3 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 63% | 0.63 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -91.8 | -27.1 | 173.8 | -165.2 | 172.4 | -178.8 | 144.8 | -1.8 | 112.3 | D69 L70 | D69-R72 PolarHBondContact O-N 3.15Å; L70-R72 PolarHBondContact O-N 3.31Å |
| 73 | A | 35 | Very low | 34.3 | Very low | 65 Ų | 65 | 133 Ų | 133 | 54% | 0.537 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -74.4 | -33.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D69 L70 S75 | D69-A73 PolarHBondContact O-N 2.92Å; L70-A73 PolarHBondContact O-N 3.15Å; A73-S75 VanDerWaalsContact C-N 3.27Å; A73-S75 PolarHBondContact O-N 2.99Å |
| 74 | T | 37.2 | Very low | 34.2 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 64% | 0.638 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -19 | 174.8 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | L70 D71 | L70-T74 WeakPolarHBondContact O-CG2 3.34Å; L70-T74 PolarHBondContact O-N 2.79Å; L70-T74 VanDerWaalsContact O-N 3.1Å; L70-T74 PolarHBondContact O-OG1 2.85Å; D71-T74 PolarHBondContact O-OG1 2.84Å |
| 75 | S | 35.6 | Very low | 34.1 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 58% | 0.58 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -16.5 | 180 | -157.7 | 0 | 0 | 0 | 0 | 113.7 | A73 R77 | A73-S75 VanDerWaalsContact C-N 3.27Å; A73-S75 PolarHBondContact O-N 2.99Å; S75-R77 PolarHBondContact O-N 2.97Å |
| 76 | R | 31.6 | Very low | 34.1 | Very low | 182 Ų | 182 | 130.2 Ų | 130.2 | 69% | 0.687 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -104 | 77.7 | 178.7 | -66.7 | -171 | -179 | -147.5 | -2.3 | 110.5 | | |
| 77 | R | 36.4 | Very low | 34.2 | Very low | 198 Ų | 198 | 126 Ų | 126 | 75% | 0.747 | 68% | 0.681 | S | S | * | * | | | trans | -17.7 | 112.7 | 168 | -81.3 | 177.7 | 154.9 | 179 | -5.8 | 112.9 | S75 S79 | S75-R77 PolarHBondContact O-N 2.97Å; R77-S79 VanDerWaalsContact C-N 3.28Å; R77-S79 PolarHBondContact O-N 3.2Å |
| 78 | P | 33.1 | Very low | 33.7 | Very low | 114 Ų | 114 | 125 Ų | 125 | 74% | 0.74 | 67% | 0.666 | S | S | * | * | | | trans | -65.8 | 101.7 | 152 | 28 | -27.6 | 0 | 0 | 0 | 105.5 | V80 | P78-V80 HydrophobicContact CB-CG2 4.47Å; P78-V80 PolarHBondContact O-N 2.89Å |
| 79 | S | 32 | Very low | 33.8 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | | | trans | -68.5 | 80.3 | 173.2 | 51.8 | 0 | 0 | 0 | 0 | 108.6 | R77 R81 | R77-S79 VanDerWaalsContact C-N 3.28Å; R77-S79 PolarHBondContact O-N 3.2Å; S79-R81 PolarHBondContact O-N 3.16Å; S79-R81 VanDerWaalsContact O-N 3.09Å |
| 80 | V | 35.7 | Very low | 33.5 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | | | trans | -74.5 | 95.3 | 168.4 | -170.8 | 0 | 0 | 0 | 0 | 106.5 | P78 V82 | P78-V80 HydrophobicContact CB-CG2 4.47Å; P78-V80 PolarHBondContact O-N 2.89Å; V80-V82 VanDerWaalsContact C-N 3.32Å; V80-V82 HydrophobicContact CB-CG2 4.42Å; V80-V82 HydrophobicContact CG1-CG2 3.57Å; V80-V82 PolarHBondContact O-N 3.26Å |
| 81 | R | 31 | Very low | 33.3 | Very low | 238 Ų | 238 | 126.1 Ų | 126.1 | 90% | 0.898 | 68% | 0.681 | S | S | * | * | | | trans | -72.6 | 92.1 | 165.7 | -75.4 | -175.1 | -161.4 | -178.9 | 4.2 | 107.6 | S79 K83 | S79-R81 PolarHBondContact O-N 3.16Å; S79-R81 VanDerWaalsContact O-N 3.09Å; R81-K83 PolarHBondContact O-N 3.35Å |
| 82 | V | 34.5 | Very low | 33.2 | Very low | 82 Ų | 82 | 128 Ų | 128 | 50% | 0.497 | 68% | 0.682 | S | S | . | * | | | trans | -80.8 | 96.5 | 169.8 | -165.6 | 0 | 0 | 0 | 0 | 107.9 | V80 N84 G85 | V80-V82 VanDerWaalsContact C-N 3.32Å; V80-V82 HydrophobicContact CB-CG2 4.42Å; V80-V82 HydrophobicContact CG1-CG2 3.57Å; V80-V82 PolarHBondContact O-N 3.26Å; V82-N84 PolarHBondContact O-N 3.23Å; V82-G85 VanDerWaalsContact CG1-CA 3.49Å; V82-G85 VanDerWaalsContact CG1-N 3.34Å; V82-G85 WeakPolarHBondContact CG1-O 3.41Å |
| 83 | K | 29.7 | Very low | 33.1 | Very low | 199 Ų | 199 | 128 Ų | 128 | 87% | 0.865 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -74.5 | 102.4 | 159.8 | -100.5 | 175.8 | 169.7 | -178 | 0 | 106.2 | R81 | R81-K83 PolarHBondContact O-N 3.35Š|
| 84 | N | 27 | Very low | 33.1 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 89% | 0.893 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 73.1 | 52 | 166.7 | -53.3 | 32.4 | 0 | 0 | 0 | 117 | V82 | V82-N84 PolarHBondContact O-N 3.23Š|
| 85 | G | 28.5 | Very low | 32.8 | Very low | 45 Ų | 45 | 133.3 Ų | 133.3 | 46% | 0.464 | 71% | 0.707 | S | S | . | * | | | trans | -140.7 | 114.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | V82 N87 | V82-G85 VanDerWaalsContact CG1-CA 3.49Å; V82-G85 VanDerWaalsContact CG1-N 3.34Å; V82-G85 WeakPolarHBondContact CG1-O 3.41Å; G85-N87 PolarHBondContact O-N 3.32Å |
| 86 | V | 31.9 | Very low | 32.7 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 63% | 0.63 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 119.3 | 174.4 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | A5 M88 | A5-V86 HydrophobicContact CB-CG1 3.47Å; A5-V86 VanDerWaalsContact CB-CG1 3.47Å; V86-M88 HydrophobicContact CG1-CG 4.48Å |
| 87 | N | 35.6 | Very low | 32.7 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 64% | 0.642 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 117.7 | 170.1 | -103.4 | -7.8 | 0 | 0 | 0 | 109.2 | G85 | G85-N87 PolarHBondContact O-N 3.32Š|
| 88 | M | 30.2 | Very low | 32.5 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 54% | 0.537 | 73% | 0.729 | S | S | . | * | B | Isolated β-bridge | trans | -103.1 | 118.9 | 174.4 | -91.9 | 152 | 35.6 | 0 | 0 | 109.6 | P3 V86 | P3-M88 HydrophobicContact CB-CE 3.72Å; P3-M88 HydrophobicContact CB-CG 3.84Å; P3-M88 HydrophobicContact CB-SD 3.24Å; P3-M88 WeakPolarHBondContact CB-SD 3.48Å; P3-M88 HydrophobicContact CG-SD 4.08Å; V86-M88 HydrophobicContact CG1-CG 4.48Å |
| 89 | V | 36.8 | Very low | 32.4 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 61% | 0.606 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 116 | 170.7 | 179.2 | 0 | 0 | 0 | 0 | 108 | A91 | V89-A91 PolarHBondContact O-N 3.34Š|
| 90 | T | 31.2 | Very low | 32.3 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 68% | 0.681 | 74% | 0.735 | S | S | * | * | | | trans | -83.1 | 107.2 | 169.9 | 37.7 | 0 | 0 | 0 | 0 | 109.2 | K92 | T90-K92 VanDerWaalsContact C-N 3.3Å; T90-K92 PolarHBondContact O-N 3.43Å |
| 91 | A | 34.4 | Very low | 32 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | | | trans | -72.8 | 84.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V89 | V89-A91 PolarHBondContact O-N 3.34Š|
| 92 | K | 34.4 | Very low | 32.1 | Very low | 180 Ų | 180 | 128.6 Ų | 128.6 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | | | trans | -127.7 | 119.5 | 162.4 | -101 | 178.4 | 172.1 | -177.6 | 0 | 107.1 | T90 | T90-K92 VanDerWaalsContact C-N 3.3Å; T90-K92 PolarHBondContact O-N 3.43Å |
| 93 | E | 32.7 | Very low | 32 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | | | trans | 66.2 | 81.8 | 178.5 | -74.5 | -171.5 | 95.6 | 0 | 0 | 117.2 | T95 | E93-T95 WeakPolarHBondContact CB-OG1 3.43Å; E93-T95 WeakPolarHBondContact CG-OG1 3.49Å; E93-T95 PolarHBondContact O-N 3.39Å; E93-T95 VanDerWaalsContact O-N 3.12Å; E93-T95 PolarHBondContact OE1-OG1 2.9Å |
| 94 | L | 36.9 | Very low | 32 | Very low | 188 Ų | 188 | 130.9 Ų | 130.9 | 98% | 0.984 | 75% | 0.751 | S | S | * | * | | | trans | -76.7 | 64.4 | 142.7 | -88.4 | 161.3 | 0 | 0 | 0 | 108.3 | A96 | L94-A96 PolarHBondContact O-N 3.38Š|
| 95 | T | 29.6 | Very low | 32.2 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 56% | 0.558 | 75% | 0.745 | S | S | * | * | | | trans | -82.1 | 99.7 | 171.1 | -51.6 | 0 | 0 | 0 | 0 | 106.5 | E93 T97 | E93-T95 WeakPolarHBondContact CB-OG1 3.43Å; E93-T95 WeakPolarHBondContact CG-OG1 3.49Å; E93-T95 PolarHBondContact O-N 3.39Å; E93-T95 VanDerWaalsContact O-N 3.12Å; E93-T95 PolarHBondContact OE1-OG1 2.9Å; T95-T97 PolarHBondContact O-N 3.28Å |
| 96 | A | 33.4 | Very low | 32.3 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -48.2 | 106.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L94 R98 | L94-A96 PolarHBondContact O-N 3.38Å; A96-R98 PolarHBondContact O-N 3.43Å |
| 97 | T | 32.8 | Very low | 32.1 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | -70.3 | 86.6 | 167.8 | 23.5 | 0 | 0 | 0 | 0 | 108.5 | T95 S99 | T95-T97 PolarHBondContact O-N 3.28Å; T97-S99 PolarHBondContact O-N 3.42Å |
| 98 | R | 30.8 | Very low | 31.9 | Very low | 238 Ų | 238 | 133.6 Ų | 133.6 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | | | trans | -41.4 | 105.4 | 157 | -105.2 | 178.2 | 163.7 | -163.9 | -2.6 | 108.5 | A96 P100 | A96-R98 PolarHBondContact O-N 3.43Å; R98-P100 WeakPolarHBondContact O-CD 3.42Å |
| 99 | S | 32 | Very low | 31.7 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | -66.8 | 120.4 | 165.9 | -38.3 | 0 | 0 | 0 | 0 | 107.6 | T97 G101 | T97-S99 PolarHBondContact O-N 3.42Å; S99-G101 PolarHBondContact O-N 2.8Å |
| 100 | P | 30.4 | Very low | 31.4 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 115.1 | 173.1 | 29.7 | -28.1 | 0 | 0 | 0 | 107 | R98 | R98-P100 WeakPolarHBondContact O-CD 3.42Š|
| 101 | G | 28.9 | Very low | 31.6 | Very low | 72 Ų | 72 | 142.3 Ų | 142.3 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.2 | -8.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118 | S99 | S99-G101 PolarHBondContact O-N 2.8Š|
| 102 | L | 32.5 | Very low | 31.7 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -121.4 | 115.7 | 179.5 | -62.6 | 175.9 | 0 | 0 | 0 | 110 | | |
| 103 | K | 33 | Very low | 31.6 | Very low | 201 Ų | 201 | 138.8 Ų | 138.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -49.7 | 125.6 | 178 | -66.9 | 176.3 | 178.5 | 175.2 | 0 | 109.1 | S105 | K103-S105 PolarHBondContact O-N 2.86Š|
| 104 | P | 30.2 | Very low | 31.7 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | -69.4 | 97.6 | 177.1 | 27.1 | -30.2 | 0 | 0 | 0 | 108.1 | T106 | P104-T106 PolarHBondContact O-N 3.02Š|
| 105 | S | 30 | Very low | 31.7 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -86.8 | 107.7 | 171.5 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | K103 V107 | K103-S105 PolarHBondContact O-N 2.86Å; S105-V107 PolarHBondContact O-N 2.93Å |
| 106 | T | 30.1 | Very low | 31.9 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -29 | 89.1 | 165.5 | -50.7 | 0 | 0 | 0 | 0 | 115.5 | P104 | P104-T106 PolarHBondContact O-N 3.02Š|
| 107 | V | 29 | Very low | 32.1 | Very low | 121 Ų | 121 | 133 Ų | 133 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | trans | -163.6 | 129.6 | 144.1 | -137 | 0 | 0 | 0 | 0 | 110.2 | S105 | S105-V107 PolarHBondContact O-N 2.93Š|
| 108 | P | 30.8 | Very low | 32.2 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | trans | -95.6 | 106.2 | -178.3 | 34.4 | -26.5 | 0 | 0 | 0 | 110.7 | | |
| 109 | S | 25.6 | Very low | 32.6 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | | | trans | -171.6 | 92.4 | 163.5 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 110 | L | 31.9 | Very low | 33.1 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 88% | 0.88 | 73% | 0.734 | S | S | * | * | | | trans | -122.8 | 86 | 146.8 | -75.7 | 175.9 | 0 | 0 | 0 | 107.8 | V112 | L110-V112 VanDerWaalsContact C-N 3.3Å; L110-V112 PolarHBondContact O-N 3.1Å |
| 111 | R | 34.7 | Very low | 33.7 | Very low | 240 Ų | 240 | 119.5 Ų | 119.5 | 91% | 0.906 | 72% | 0.722 | S | S | * | * | | | trans | -60.5 | 96.2 | 160.5 | -69.3 | -176.3 | -177.8 | -175.8 | 1 | 107.1 | A113 | R111-A113 PolarHBondContact O-N 3.33Š|
| 112 | V | 35.8 | Very low | 34 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 66% | 0.655 | 71% | 0.713 | S | S | * | * | | | trans | -74.5 | 86.9 | 163.9 | -178.5 | 0 | 0 | 0 | 0 | 106.9 | L110 G114 L115 | L110-V112 VanDerWaalsContact C-N 3.3Å; L110-V112 PolarHBondContact O-N 3.1Å; V112-G114 PolarHBondContact O-N 3.14Å; V112-L115 HydrophobicContact CG1-CD1 3.65Å |
| 113 | A | 32.7 | Very low | 34.1 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 108.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108 | R111 | R111-A113 PolarHBondContact O-N 3.33Š|
| 114 | G | 34.9 | Very low | 34.2 | Very low | 55 Ų | 55 | 110.2 Ų | 110.2 | 57% | 0.567 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.1 | 1.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | V112 | V112-G114 PolarHBondContact O-N 3.14Š|
| 115 | L | 36.9 | Very low | 34.5 | Very low | 123 Ų | 123 | 111.5 Ų | 111.5 | 64% | 0.644 | 71% | 0.706 | S | S | * | * | | | trans | -105.3 | 94.5 | 172.6 | -83.2 | 118.5 | 0 | 0 | 0 | 110.6 | F8 V112 | F8-L115 HydrophobicContact CD1-CD2 3.68Å; F8-L115 HydrophobicContact CE1-CD2 3.61Å; V112-L115 HydrophobicContact CG1-CD1 3.65Å |
| 116 | Q | 34.7 | Very low | 34.7 | Very low | 172 Ų | 172 | 117.4 Ų | 117.4 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | | | trans | -96.3 | 108.5 | 160.8 | -167.9 | -179.3 | -13.4 | 0 | 0 | 107.1 | | |
| 117 | A | 36 | Very low | 34.9 | Very low | 66 Ų | 66 | 117.4 Ų | 117.4 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | | | trans | -87.5 | 124.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | V6 F8 | V6-A117 HydrophobicContact CG1-CB 3.99Å; F8-A117 HydrophobicContact CE1-CB 4.25Å |
| 118 | S | 36.3 | Very low | 35 | Very low | 76 Ų | 76 | 114.8 Ų | 114.8 | 53% | 0.531 | 71% | 0.713 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 119.2 | 167 | -157.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 119 | A | 37.4 | Very low | 35.2 | Very low | 69 Ų | 69 | 117.8 Ų | 117.8 | 57% | 0.57 | 72% | 0.716 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | I4 | I4-A119 HydrophobicContact CG2-CB 3.71Å |
| 120 | T | 42.8 | Very low | 35.7 | Very low | 81 Ų | 81 | 121.6 Ų | 121.6 | 50% | 0.497 | 73% | 0.727 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.6 | 168.5 | 53.6 | 0 | 0 | 0 | 0 | 108 | P122 | T120-P122 WeakPolarHBondContact O-CD 3.29Å |
| 121 | T | 42.7 | Very low | 35.8 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 63% | 0.626 | 72% | 0.716 | S | S | * | * | | | trans | -71.8 | 122.8 | 172.1 | 14.3 | 0 | 0 | 0 | 0 | 109.4 | V2 G123 | V2-T121 HydrophobicContact CG1-CG2 4.41Å; T121-G123 PolarHBondContact O-N 2.94Å |
| 122 | P | 36 | Very low | 35.7 | Very low | 84 Ų | 84 | 114.3 Ų | 114.3 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | | | trans | -84.9 | 102.8 | 172 | 31.1 | -25.4 | 0 | 0 | 0 | 108.6 | P3 T120 | P3-P122 WeakPolarHBondContact O-CD 3.16Å; T120-P122 WeakPolarHBondContact O-CD 3.29Å |
| 123 | G | 33.7 | Very low | 35.5 | Very low | 76 Ų | 76 | 118.1 Ų | 118.1 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | | | trans | 155.1 | 109.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T121 | T121-G123 PolarHBondContact O-N 2.94Š|
| 124 | G | 36.9 | Very low | 35.7 | Very low | 77 Ų | 77 | 118.9 Ų | 118.9 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | | | trans | 143.4 | 93.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 125 | D | 35.7 | Very low | 35.6 | Very low | 155 Ų | 155 | 121.1 Ų | 121.1 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | | | trans | -49.2 | 140.7 | 169.9 | -70.8 | -63.3 | 0 | 0 | 0 | 112.9 | | |
| 126 | R | 33.9 | Very low | 35.4 | Very low | 233 Ų | 233 | 122.1 Ų | 122.1 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | | | trans | 64.9 | 104.7 | 161.6 | -54.5 | -179.5 | -152.8 | -161.9 | 6.5 | 117.7 | | |
| 127 | C | 34 | Very low | 35.3 | Very low | 136 Ų | 136 | 120.5 Ų | 120.5 | 92% | 0.919 | 74% | 0.736 | S | S | * | * | | | trans | 162.3 | 105.5 | 138.3 | -94.8 | 0 | 0 | 0 | 0 | 105.7 | | |
| 128 | G | 32.5 | Very low | 35.2 | Very low | 65 Ų | 65 | 125.5 Ų | 125.5 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | | | | 101.5 | 108.9 | 87.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 129 | Q | 33.8 | Very low | 35.3 | Very low | 190 Ų | 190 | 127 Ų | 127 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | | | trans | 42.1 | 99.9 | 157 | -63.9 | 172.1 | 6.4 | 0 | 0 | 117.5 | | |
| 130 | I | 36.4 | Very low | 35.2 | Very low | 176 Ų | 176 | 129.4 Ų | 129.4 | 90% | 0.903 | 78% | 0.776 | S | S | * | * | | | trans | -120.9 | 65.7 | 146.6 | -39.1 | 178.5 | 0 | 0 | 0 | 107.2 | | |
| 131 | A | 33.4 | Very low | 35 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 65% | 0.645 | 79% | 0.791 | S | S | * | * | | | trans | -72.2 | 135.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 132 | Q | 33.3 | Very low | 34.7 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | 44.1 | 114.9 | 161.8 | -75.1 | 171.8 | -42.6 | 0 | 0 | 117.3 | | |
| 133 | M | 32.6 | Very low | 34.8 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | | | trans | -141.5 | 132.9 | 130.2 | -83 | -137.9 | 139.9 | 0 | 0 | 112.5 | | |
| 134 | P | 36.1 | Very low | 35.4 | Very low | 117 Ų | 117 | 155 Ų | 155 | 76% | 0.76 | 84% | 0.839 | S | S | * | * | | | trans | -76.6 | 165.9 | 176.1 | 33.7 | -33.4 | 0 | 0 | 0 | 111.7 | | |
| 135 | S | 32.3 | Very low | 35.3 | Very low | 102 Ų | 102 | 159 Ų | 159 | 71% | 0.713 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -49.4 | 135.3 | -172.6 | 52.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 136 | L | 32.4 | Very low | 35.3 | Very low | 145 Ų | 145 | 159.2 Ų | 159.2 | 76% | 0.759 | 84% | 0.842 | S | S | * | * | | | trans | 68.5 | 114 | 140 | -60.1 | 170.4 | 0 | 0 | 0 | 119 | | |
| 137 | T | 33.2 | Very low | 35.3 | Very low | 137 Ų | 137 | 155.1 Ų | 155.1 | 84% | 0.84 | 84% | 0.839 | S | S | * | * | | | trans | -146.8 | 113.8 | 132.2 | -38.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 138 | L | 33.8 | Very low | 35.4 | Very low | 172 Ų | 172 | 156.2 Ų | 156.2 | 90% | 0.901 | 84% | 0.835 | S | S | * | * | | | trans | -98.1 | 111.8 | 171.2 | -111.8 | 119.9 | 0 | 0 | 0 | 107.3 | | |
| 139 | S | 39.4 | Very low | 35.6 | Very low | 106 Ų | 106 | 161.9 Ų | 161.9 | 74% | 0.741 | 85% | 0.845 | S | S | * | * | | | trans | -122.2 | 131 | 170 | 29.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 140 | S | 33.9 | Very low | 35.7 | Very low | 121 Ų | 121 | 160 Ų | 160 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | | | trans | -59.7 | 150.7 | -164 | -50.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 141 | I | 40 | Very low | 35.7 | Very low | 158 Ų | 158 | 158.9 Ų | 158.9 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | | | trans | -131.5 | 123.5 | 150.2 | -59.5 | 179.7 | 0 | 0 | 0 | 109.1 | | |
| 142 | R | 35.2 | Very low | 35.9 | Very low | 223 Ų | 223 | 165.1 Ų | 165.1 | 84% | 0.842 | 85% | 0.853 | S | S | * | * | | | trans | -68.9 | 140.4 | 175.7 | 170.4 | -172.7 | -92.3 | 171.1 | -9.6 | 109.8 | | |
| 143 | W | 37.6 | Very low | 36.1 | Very low | 243 Ų | 243 | 164 Ų | 164 | 92% | 0.92 | 86% | 0.855 | S | S | * | * | | | trans | -111.4 | 131 | 158.5 | -77.5 | 89.7 | 0 | 0 | 0 | 107.9 | | |
| 144 | E | 46.5 | Very low | 36.4 | Very low | 257 Ų | 257 | 161.9 Ų | 161.9 | 100% | 1.201 | 85% | 0.849 | S | S | * | * | | | trans | -60.7 | 0 | 176.5 | -66.4 | -173.8 | 122.4 | 0 | 0 | 113.1 | | |