| 1 | M | 43.2 | Very low | 50.9 | Low | 247 Ų | 247 | 148.8 Ų | 148.8 | 100% | 1.217 | 81% | 0.814 | S | S | * | * | | | | 0 | 133.5 | 0 | -75.3 | -160 | -88.1 | 0 | 0 | 107 | | |
| 2 | E | 46.7 | Very low | 51.7 | Low | 197 Ų | 197 | 153.7 Ų | 153.7 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | | | trans | -66.3 | 156.4 | -170.5 | -66.8 | -177.4 | 154.8 | 0 | 0 | 113.5 | | |
| 3 | E | 52.8 | Low | 52 | Low | 168 Ų | 168 | 154.9 Ų | 154.9 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | | | trans | -54.6 | 165.3 | 175.2 | -118.8 | 176.8 | 165.4 | 0 | 0 | 113.7 | | |
| 4 | P | 60.7 | Low | 52.6 | Low | 127 Ų | 127 | 158.7 Ų | 158.7 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | | | | -132 | 141.7 | 127.1 | 31.8 | -18.1 | 0 | 0 | 0 | 114 | | |
| 5 | T | 50.3 | Low | 52.9 | Low | 115 Ų | 115 | 154.6 Ų | 154.6 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | | | trans | -75.1 | 147.9 | -176.9 | 31.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 6 | S | 49.4 | Very low | 53.4 | Low | 107 Ų | 107 | 152.8 Ų | 152.8 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | | | trans | 50.8 | 112.1 | 132.8 | -158.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 7 | S | 59.4 | Low | 53.3 | Low | 88 Ų | 88 | 150.9 Ų | 150.9 | 62% | 0.615 | 82% | 0.818 | S | S | * | * | | | | 50.5 | 130.6 | 124.8 | 130.4 | 0 | 0 | 0 | 0 | 121 | | |
| 8 | T | 46.6 | Very low | 53.3 | Low | 140 Ų | 140 | 153.2 Ų | 153.2 | 86% | 0.859 | 82% | 0.822 | S | S | * | * | | | | -153.4 | 128 | 121.9 | -70.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 9 | N | 52.1 | Low | 53.5 | Low | 135 Ų | 135 | 151.5 Ų | 151.5 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | | | trans | -75.9 | 169.8 | 178.9 | -63.4 | -55.5 | 0 | 0 | 0 | 112 | | |
| 10 | E | 44.5 | Very low | 53.6 | Low | 180 Ų | 180 | 151.1 Ų | 151.1 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | | | trans | 97.7 | 114.3 | 145.4 | -81.9 | 177.7 | -174.1 | 0 | 0 | 120.9 | | |
| 11 | N | 53.9 | Low | 53.8 | Low | 133 Ų | 133 | 153.1 Ų | 153.1 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | | | trans | 93.7 | 88.2 | 132.7 | -119.3 | -13.5 | 0 | 0 | 0 | 118.8 | M13 | N11-M13 PolarHBondContact O-N 3.42Š|
| 12 | K | 60.9 | Low | 54.1 | Low | 207 Ų | 207 | 152.7 Ų | 152.7 | 90% | 0.9 | 81% | 0.806 | S | S | * | * | | | trans | -71.3 | 108.3 | 149.8 | -68.8 | -178.3 | 178.2 | 178.9 | 0 | 108.8 | | |
| 13 | M | 55.3 | Low | 54.5 | Low | 170 Ų | 170 | 152.3 Ų | 152.3 | 84% | 0.837 | 80% | 0.802 | S | S | * | * | | | trans | -138.6 | 117.6 | 151.9 | -100.6 | 166.1 | 86.9 | 0 | 0 | 110.3 | N11 | N11-M13 PolarHBondContact O-N 3.42Š|
| 14 | K | 60.3 | Low | 54.7 | Low | 208 Ų | 208 | 150.2 Ų | 150.2 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | | | trans | -74.3 | 137.7 | 173.3 | -66.7 | 176.4 | 175.7 | -176.2 | 0 | 109.4 | | |
| 15 | S | 57.6 | Low | 54.5 | Low | 97 Ų | 97 | 150.1 Ų | 150.1 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | | -179.5 | 146 | 113.6 | 51.2 | 0 | 0 | 0 | 0 | 111 | | |
| 16 | P | 61.3 | Low | 54.7 | Low | 126 Ų | 126 | 153.5 Ų | 153.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -87.2 | 122.7 | 169 | 33.6 | -24.8 | 0 | 0 | 0 | 108 | | |
| 17 | C | 50.6 | Low | 54.9 | Low | 120 Ų | 120 | 157 Ų | 157 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -118.9 | 113.5 | 170.3 | -90.3 | 0 | 0 | 0 | 0 | 110.4 | S19 | C17-S19 PolarHBondContact O-N 3.45Š|
| 18 | E | 53.5 | Low | 54.3 | Low | 192 Ų | 192 | 161.1 Ų | 161.1 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -34.6 | 118.5 | 175.1 | -79.6 | 167.7 | 116.2 | 0 | 0 | 114.2 | N20 | E18-N20 PolarHBondContact O-N 2.99Š|
| 19 | S | 57.9 | Low | 54.5 | Low | 121 Ų | 121 | 161.1 Ų | 161.1 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -81.1 | 104.4 | 157.1 | 55.3 | 0 | 0 | 0 | 0 | 108.8 | C17 K21 | C17-S19 PolarHBondContact O-N 3.45Å; S19-K21 PolarHBondContact O-N 3.21Å |
| 20 | N | 55.6 | Low | 54.1 | Low | 143 Ų | 143 | 160.8 Ų | 160.8 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | | | trans | -77.5 | 117.4 | 177.2 | 49.1 | 0 | 0 | 0 | 0 | 111.7 | E18 | E18-N20 PolarHBondContact O-N 2.99Š|
| 21 | K | 57.4 | Low | 54.7 | Low | 194 Ų | 194 | 160.6 Ų | 160.6 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | 39.7 | 100.3 | 149.3 | -58.1 | -170.9 | -177.1 | -167.7 | 0 | 117.8 | S19 | S19-K21 PolarHBondContact O-N 3.21Š|
| 22 | R | 50 | Low | 54.4 | Low | 238 Ų | 238 | 164.6 Ų | 164.6 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | | -140.4 | 106.8 | 127.9 | -66.5 | -169.8 | -167.5 | 172.5 | 5.1 | 109.2 | V24 | R22-V24 PolarHBondContact O-N 3.29Š|
| 23 | K | 55 | Low | 54.1 | Low | 189 Ų | 189 | 159.1 Ų | 159.1 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -65.4 | 102.1 | 160.3 | -66.7 | -165 | 177.4 | -167 | 0 | 106.7 | D25 | K23-D25 PolarHBondContact O-N 3.33Å; K23-D25 VanDerWaalsContact O-N 3.16Å |
| 24 | V | 56.4 | Low | 54.2 | Low | 125 Ų | 125 | 155.7 Ų | 155.7 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | | | trans | -85.4 | 68.9 | 159.7 | -177.4 | 0 | 0 | 0 | 0 | 106.4 | R22 K26 | R22-V24 PolarHBondContact O-N 3.29Å; V24-K26 HydrophobicContact CG1-CB 4.19Å; V24-K26 PolarHBondContact O-N 3.4Å |
| 25 | D | 56.9 | Low | 54.3 | Low | 125 Ų | 125 | 149.3 Ų | 149.3 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | | | trans | -74.4 | 76.7 | 155.9 | -99.4 | -48.5 | 0 | 0 | 0 | 106.6 | K23 | K23-D25 PolarHBondContact O-N 3.33Å; K23-D25 VanDerWaalsContact O-N 3.16Å |
| 26 | K | 53.5 | Low | 53.9 | Low | 186 Ų | 186 | 150.1 Ų | 150.1 | 81% | 0.809 | 78% | 0.778 | S | S | * | * | | | trans | -113 | 70.1 | 157.7 | -133.6 | 173 | -175.3 | 175.7 | 0 | 106.4 | V24 K28 | V24-K26 HydrophobicContact CG1-CB 4.19Å; V24-K26 PolarHBondContact O-N 3.4Å; K26-K28 PolarHBondContact O-N 3.4Å |
| 27 | K | 53.5 | Low | 53.5 | Low | 179 Ų | 179 | 152.4 Ų | 152.4 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | | | trans | -51.8 | 98.4 | 151.7 | -99 | 175.6 | 175.9 | 171.3 | 0 | 105.6 | N29 | K27-N29 PolarHBondContact O-N 2.94Š|
| 28 | K | 48.3 | Very low | 53.7 | Low | 175 Ų | 175 | 155.3 Ų | 155.3 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | | | trans | -57.6 | 99.4 | 163.9 | -174.6 | 178.9 | -178 | 180 | 0 | 104 | K26 L30 | K26-K28 PolarHBondContact O-N 3.4Å; K28-L30 PolarHBondContact O-N 3.39Å |
| 29 | N | 49.8 | Very low | 53.9 | Low | 140 Ų | 140 | 150.5 Ų | 150.5 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | trans | -61.9 | 81.4 | 158.6 | -82.9 | -36.3 | 0 | 0 | 0 | 104.9 | K27 H31 | K27-N29 PolarHBondContact O-N 2.94Å; N29-H31 PolarHBondContact O-N 3.19Å |
| 30 | L | 44.5 | Very low | 53.7 | Low | 128 Ų | 128 | 152.4 Ų | 152.4 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | | | trans | -59.8 | 97 | 154.7 | -165.6 | 83.4 | 0 | 0 | 0 | 101.7 | K28 R32 | K28-L30 PolarHBondContact O-N 3.39Å; L30-R32 PolarHBondContact O-N 3.12Å |
| 31 | H | 56.4 | Low | 53.7 | Low | 177 Ų | 177 | 153.7 Ų | 153.7 | 82% | 0.819 | 77% | 0.765 | S | S | * | * | | | trans | -58.8 | 81.5 | 156.3 | -92.2 | -86.5 | 0 | 0 | 0 | 104.4 | N29 A33 | N29-H31 PolarHBondContact O-N 3.19Å; H31-A33 PolarHBondContact O-N 2.71Å |
| 32 | R | 47 | Very low | 53.8 | Low | 217 Ų | 217 | 153.7 Ų | 153.7 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | | | trans | -55.6 | 100.7 | 153.2 | -174.3 | 178.6 | -161.1 | -169 | 4.1 | 100.6 | L30 S34 | L30-R32 PolarHBondContact O-N 3.12Å; R32-S34 PolarHBondContact O-N 2.88Å |
| 33 | A | 55.9 | Low | 53.9 | Low | 91 Ų | 91 | 148.4 Ų | 148.4 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | trans | -51 | 99.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 103.7 | H31 A35 | H31-A33 PolarHBondContact O-N 2.71Å; A33-A35 PolarHBondContact O-N 3.16Å |
| 34 | S | 56.1 | Low | 54.1 | Low | 98 Ų | 98 | 148.1 Ų | 148.1 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | trans | -65.2 | 105.5 | 174.9 | -169.3 | 0 | 0 | 0 | 0 | 101.2 | R32 | R32-S34 PolarHBondContact O-N 2.88Š|
| 35 | A | 63.5 | Low | 54.1 | Low | 75 Ų | 75 | 150.7 Ų | 150.7 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | | | trans | -44.2 | 137.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | A33 E37 | A33-A35 PolarHBondContact O-N 3.16Å; A35-E37 PolarHBondContact O-N 3.04Å |
| 36 | P | 48.9 | Very low | 54.1 | Low | 114 Ų | 114 | 148.4 Ų | 148.4 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | | | trans | -50 | 117.9 | -178 | -20.5 | 29.4 | 0 | 0 | 0 | 106.5 | Q38 | P36-Q38 PolarHBondContact O-N 2.88Š|
| 37 | E | 52.1 | Low | 54.2 | Low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | | | trans | -57.4 | 99 | 165.2 | -88.7 | -179.6 | 132.4 | 0 | 0 | 103.7 | A35 S39 | A35-E37 PolarHBondContact O-N 3.04Å; E37-S39 PolarHBondContact O-N 3.47Å |
| 38 | Q | 55.5 | Low | 54.2 | Low | 181 Ų | 181 | 145.9 Ų | 145.9 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | trans | -65.7 | 83.5 | 164.6 | -66.8 | -170.2 | -57.8 | 0 | 0 | 103.3 | P36 L40 | P36-Q38 PolarHBondContact O-N 2.88Å; Q38-L40 PolarHBondContact O-N 2.68Å |
| 39 | S | 57.8 | Low | 54.5 | Low | 92 Ų | 92 | 141.5 Ų | 141.5 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | | | trans | -57.9 | 91.7 | 160.6 | 48.9 | 0 | 0 | 0 | 0 | 104.1 | E37 K41 | E37-S39 PolarHBondContact O-N 3.47Å; S39-K41 PolarHBondContact O-N 2.86Å |
| 40 | L | 53.1 | Low | 54.8 | Low | 160 Ų | 160 | 140 Ų | 140 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | | | trans | -57.2 | 86.9 | 157.9 | -98.3 | 152.2 | 0 | 0 | 0 | 103.2 | Q38 E42 | Q38-L40 PolarHBondContact O-N 2.68Å; L40-E42 VanDerWaalsContact C-N 3.31Å; L40-E42 PolarHBondContact O-N 2.66Å |
| 41 | K | 55.2 | Low | 55.5 | Low | 171 Ų | 171 | 139.6 Ų | 139.6 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | trans | -51.4 | 110.1 | 165.2 | -64.5 | -172.3 | 180 | -171 | 0 | 103 | S39 T43 | S39-K41 PolarHBondContact O-N 2.86Å; K41-T43 PolarHBondContact O-N 2.87Å; K41-T43 PolarHBondContact O-OG1 2.71Å |
| 42 | E | 59.3 | Low | 55.3 | Low | 194 Ų | 194 | 135.6 Ų | 135.6 | 91% | 0.907 | 72% | 0.721 | S | S | * | * | | | trans | -53 | 99.2 | 174.3 | -80.8 | -170.7 | 125.9 | 0 | 0 | 105.5 | L40 E44 | L40-E42 VanDerWaalsContact C-N 3.31Å; L40-E42 PolarHBondContact O-N 2.66Å; E42-E44 PolarHBondContact O-N 2.87Å |
| 43 | T | 52.7 | Low | 55.7 | Low | 127 Ų | 127 | 131.7 Ų | 131.7 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | | | trans | -71 | 109.9 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 102.5 | K41 K45 | K41-T43 PolarHBondContact O-N 2.87Å; K41-T43 PolarHBondContact O-OG1 2.71Å; T43-K45 PolarHBondContact O-N 2.81Å; T43-K45 VanDerWaalsContact O-N 3.09Å |
| 44 | E | 59.1 | Low | 55.7 | Low | 182 Ų | 182 | 132.1 Ų | 132.1 | 85% | 0.85 | 69% | 0.693 | S | S | * | * | | | trans | -34.6 | 120.5 | 175.1 | -174.1 | -177.2 | 177.1 | 0 | 0 | 108 | E42 A46 | E42-E44 PolarHBondContact O-N 2.87Å; E44-A46 VanDerWaalsContact C-N 3.33Å; E44-A46 PolarHBondContact O-N 2.99Å |
| 45 | K | 57.5 | Low | 55.7 | Low | 179 Ų | 179 | 130.6 Ų | 130.6 | 78% | 0.778 | 68% | 0.681 | S | S | * | * | | | trans | -57.4 | 102.4 | -171.2 | -61.2 | -150.7 | 179.5 | -166.5 | 0 | 107.6 | T43 K47 | T43-K45 PolarHBondContact O-N 2.81Å; T43-K45 VanDerWaalsContact O-N 3.09Å; K45-K47 HydrophobicContact CB-CG 4.26Å; K45-K47 PolarHBondContact O-N 3Å |
| 46 | A | 56.1 | Low | 55.3 | Low | 78 Ų | 78 | 137 Ų | 137 | 65% | 0.645 | 69% | 0.689 | S | S | * | * | | | trans | -65.9 | 74.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | E44 Y48 | E44-A46 VanDerWaalsContact C-N 3.33Å; E44-A46 PolarHBondContact O-N 2.99Å; A46-Y48 PolarHBondContact O-N 3.34Å |
| 47 | K | 56.8 | Low | 55.8 | Low | 156 Ų | 156 | 138.8 Ų | 138.8 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | | | trans | -65.9 | 86.9 | 175.9 | -111.7 | -163.6 | 170.4 | 176.7 | 0 | 105.2 | K45 P49 | K45-K47 HydrophobicContact CB-CG 4.26Å; K45-K47 PolarHBondContact O-N 3Å; K47-P49 VanDerWaalsContact C-CD 3.47Å |
| 48 | Y | 53.4 | Low | 55.9 | Low | 155 Ų | 155 | 134.7 Ų | 134.7 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 78.8 | 26.4 | 157.3 | -46.1 | -79.3 | 0 | 0 | 0 | 120.9 | A46 L51 V52 | A46-Y48 PolarHBondContact O-N 3.34Å; Y48-L51 HydrophobicContact CD1-CD1 4.33Å; Y48-V52 VanDerWaalsContact O-CG2 3.31Å; Y48-V52 WeakPolarHBondContact O-CG2 3.48Å |
| 49 | P | 54.7 | Low | 55.9 | Low | 83 Ų | 83 | 134.4 Ų | 134.4 | 54% | 0.539 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -78.3 | -45.3 | 164.9 | -7.5 | 23.4 | 0 | 0 | 0 | 111.9 | K47 F53 | K47-P49 VanDerWaalsContact C-CD 3.47Å; P49-F53 PolarHBondContact O-N 3.19Å |
| 50 | T | 54.8 | Low | 56 | Low | 110 Ų | 110 | 139 Ų | 139 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72.9 | -38.5 | -167.5 | -45.7 | 0 | 0 | 0 | 0 | 113.1 | F53 Y54 | T50-F53 PolarHBondContact O-N 3.48Å; T50-Y54 PolarHBondContact O-N 3.43Å |
| 51 | L | 58.8 | Low | 56 | Low | 118 Ų | 118 | 142.5 Ų | 142.5 | 62% | 0.618 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.5 | -40.9 | 179.2 | -74.4 | 166.9 | 0 | 0 | 0 | 112.2 | Y48 F53 Y54 C55 | Y48-L51 HydrophobicContact CD1-CD1 4.33Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-F53 PolarHBondContact O-N 3.01Å; L51-Y54 PolarHBondContact O-N 3.47Å; L51-C55 PolarHBondContact O-N 3.01Å |
| 52 | V | 53.4 | Low | 55.9 | Low | 93 Ų | 93 | 140.6 Ų | 140.6 | 56% | 0.564 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.3 | -37.2 | 178.9 | 177 | 0 | 0 | 0 | 0 | 110.9 | Y48 R56 | Y48-V52 VanDerWaalsContact O-CG2 3.31Å; Y48-V52 WeakPolarHBondContact O-CG2 3.48Å; V52-R56 WeakPolarHBondContact O-CB 3.33Å; V52-R56 PolarHBondContact O-N 2.87Å; V52-R56 VanDerWaalsContact O-N 3.11Å |
| 53 | F | 55.1 | Low | 55.3 | Low | 135 Ų | 135 | 135.7 Ų | 135.7 | 59% | 0.592 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.1 | -40.6 | 179.7 | -165.7 | -97.5 | 0 | 0 | 0 | 112.7 | P49 T50 L51 R56 K57 | P49-F53 PolarHBondContact O-N 3.19Å; T50-F53 PolarHBondContact O-N 3.48Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-F53 PolarHBondContact O-N 3.01Å; F53-R56 PolarHBondContact O-N 2.72Å; F53-K57 HydrophobicContact CD1-CG 4.33Å; F53-K57 HydrophobicContact CE1-CD 4.44Å; F53-K57 HydrophobicContact CE1-CG 4.1Å; F53-K57 WeakPolarHBondContact O-CG 3.42Å; F53-K57 PolarHBondContact O-N 2.71Å; F53-K57 VanDerWaalsContact O-N 3.12Å |
| 54 | Y | 55.2 | Low | 55.5 | Low | 101 Ų | 101 | 136.6 Ų | 136.6 | 40% | 0.396 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -70.6 | -44.8 | -179.6 | -169.1 | -104.4 | 0 | 0 | 0 | 112.2 | T50 L51 R56 K57 N58 | T50-Y54 PolarHBondContact O-N 3.43Å; L51-Y54 PolarHBondContact O-N 3.47Å; Y54-R56 VanDerWaalsContact C-N 3.29Å; Y54-R56 PolarHBondContact O-N 2.71Å; Y54-K57 PolarHBondContact O-N 3.36Å; Y54-N58 WeakPolarHBondContact CE1-ND2 3.49Å; Y54-N58 PolarHBondContact O-N 3.36Å; Y54-N58 PolarHBondContact OH-ND2 3.05Å |
| 55 | C | 56.4 | Low | 55.1 | Low | 65 Ų | 65 | 135.6 Ų | 135.6 | 44% | 0.439 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -60.7 | -39 | 174.9 | -68.1 | 0 | 0 | 0 | 0 | 112 | L51 K57 N58 K59 | L51-C55 PolarHBondContact O-N 3.01Å; C55-K57 PolarHBondContact O-N 3.42Å; C55-N58 PolarHBondContact O-N 3.22Å; C55-K59 PolarHBondContact O-N 2.68Å |
| 56 | R | 55.3 | Low | 54.6 | Low | 210 Ų | 210 | 134.3 Ų | 134.3 | 79% | 0.792 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.4 | -34 | 177.9 | -164.7 | 176.7 | -173.3 | -168.3 | 2.4 | 112.8 | V52 F53 Y54 | V52-R56 WeakPolarHBondContact O-CB 3.33Å; V52-R56 PolarHBondContact O-N 2.87Å; V52-R56 VanDerWaalsContact O-N 3.11Å; F53-R56 PolarHBondContact O-N 2.72Å; Y54-R56 VanDerWaalsContact C-N 3.29Å; Y54-R56 PolarHBondContact O-N 2.71Å |
| 57 | K | 58.8 | Low | 54 | Low | 151 Ų | 151 | 137.6 Ų | 137.6 | 66% | 0.657 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.8 | -32.6 | 176 | -79.3 | -102.5 | 178 | 172 | 0 | 112.7 | F53 Y54 C55 | F53-K57 HydrophobicContact CD1-CG 4.33Å; F53-K57 HydrophobicContact CE1-CD 4.44Å; F53-K57 HydrophobicContact CE1-CG 4.1Å; F53-K57 WeakPolarHBondContact O-CG 3.42Å; F53-K57 PolarHBondContact O-N 2.71Å; F53-K57 VanDerWaalsContact O-N 3.12Å; Y54-K57 PolarHBondContact O-N 3.36Å; C55-K57 PolarHBondContact O-N 3.42Å |
| 58 | N | 55.4 | Low | 53.7 | Low | 87 Ų | 87 | 136.9 Ų | 136.9 | 47% | 0.465 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -97.5 | -1.2 | -175.5 | -65.2 | -7.2 | 0 | 0 | 0 | 114.2 | Y54 C55 K60 | Y54-N58 WeakPolarHBondContact CE1-ND2 3.49Å; Y54-N58 PolarHBondContact O-N 3.36Å; Y54-N58 PolarHBondContact OH-ND2 3.05Å; C55-N58 PolarHBondContact O-N 3.22Å; N58-K60 PolarHBondContact O-N 2.65Å |
| 59 | K | 55.3 | Low | 53.4 | Low | 176 Ų | 176 | 135 Ų | 135 | 77% | 0.765 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -66.4 | 90.4 | 165.9 | -168.2 | 170.3 | -178.6 | 172.8 | 0 | 108.1 | C55 R61 | C55-K59 PolarHBondContact O-N 2.68Å; K59-R61 PolarHBondContact O-N 2.94Å; K59-R61 VanDerWaalsContact O-N 3.11Å |
| 60 | K | 58.8 | Low | 53.1 | Low | 188 Ų | 188 | 138.1 Ų | 138.1 | 82% | 0.817 | 67% | 0.67 | S | S | * | * | | | trans | -38.6 | 115.8 | 168.9 | -177.1 | 179.2 | -179.2 | -177.4 | 0 | 108.3 | N58 N62 | N58-K60 PolarHBondContact O-N 2.65Å; K60-N62 PolarHBondContact O-N 2.91Å |
| 61 | R | 54.8 | Low | 52.9 | Low | 233 Ų | 233 | 138.5 Ų | 138.5 | 88% | 0.879 | 68% | 0.675 | S | S | * | * | | | trans | -60.2 | 108.1 | 165.5 | -73 | -172.4 | 178.3 | 92.8 | -3.1 | 105.5 | K59 S63 | K59-R61 PolarHBondContact O-N 2.94Å; K59-R61 VanDerWaalsContact O-N 3.11Å; R61-S63 VanDerWaalsContact C-N 3.27Å; R61-S63 PolarHBondContact O-N 2.97Å |
| 62 | N | 51.5 | Low | 52.3 | Low | 131 Ų | 131 | 137.9 Ų | 137.9 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | | | trans | -61.5 | 101.1 | 163 | 47.7 | 2.7 | 0 | 0 | 0 | 105.8 | K60 N64 | K60-N62 PolarHBondContact O-N 2.91Å; N62-N64 PolarHBondContact O-N 3.15Å |
| 63 | S | 48.3 | Very low | 51.8 | Low | 91 Ų | 91 | 141.6 Ų | 141.6 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | | | trans | -67.2 | 104.6 | 171.7 | -174 | 0 | 0 | 0 | 0 | 106.1 | R61 Q65 | R61-S63 VanDerWaalsContact C-N 3.27Å; R61-S63 PolarHBondContact O-N 2.97Å; S63-Q65 PolarHBondContact O-N 3.47Å |
| 64 | N | 55.9 | Low | 51.1 | Low | 146 Ų | 146 | 141 Ų | 141 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | | | trans | -64.7 | 86.4 | 166.2 | -58.7 | -22 | 0 | 0 | 0 | 107.1 | N62 | N62-N64 PolarHBondContact O-N 3.15Š|
| 65 | Q | 50.2 | Low | 50.6 | Low | 161 Ų | 161 | 141.6 Ų | 141.6 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | | | trans | -107.7 | 74.6 | 158.1 | -70.2 | -153.8 | 86.1 | 0 | 0 | 106.4 | S63 E67 | S63-Q65 PolarHBondContact O-N 3.47Å; Q65-E67 PolarHBondContact O-N 3.35Å; Q65-E67 VanDerWaalsContact O-N 3.11Å |
| 66 | L | 48.2 | Very low | 50 | Low | 152 Ų | 152 | 144.5 Ų | 144.5 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | | | trans | -76.1 | 84.7 | 157.7 | -161.2 | 96 | 0 | 0 | 0 | 105.1 | N68 | L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 3.37Å |
| 67 | E | 43 | Very low | 49.5 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | | | trans | -66.5 | 99.6 | 171 | -139.9 | -176.3 | 145.6 | 0 | 0 | 106.5 | Q65 N69 | Q65-E67 PolarHBondContact O-N 3.35Å; Q65-E67 VanDerWaalsContact O-N 3.11Å; E67-N69 PolarHBondContact O-N 2.88Å; E67-N69 PolarHBondContact OE1-ND2 2.97Å |
| 68 | N | 50.5 | Low | 49.1 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | trans | -79 | 69.7 | -178.8 | -141.2 | 30 | 0 | 0 | 0 | 108.2 | L66 Q70 | L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 3.37Å; N68-Q70 PolarHBondContact O-N 3.29Å |
| 69 | N | 46.7 | Very low | 48.2 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | | | trans | -91.8 | 95.6 | 168.3 | -69.1 | -41.2 | 0 | 0 | 0 | 107.5 | E67 P71 | E67-N69 PolarHBondContact O-N 2.88Å; E67-N69 PolarHBondContact OE1-ND2 2.97Å; N69-P71 WeakPolarHBondContact O-CD 3.44Å |
| 70 | Q | 47.8 | Very low | 47.9 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | | | trans | -43 | 143.4 | 156.4 | -87.3 | -105.8 | 10.4 | 0 | 0 | 110.1 | N68 T72 | N68-Q70 PolarHBondContact O-N 3.29Å; Q70-T72 PolarHBondContact OE1-OG1 3.45Å; Q70-T72 VanDerWaalsContact OE1-OG1 3.14Å |
| 71 | P | 51.3 | Low | 47 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | | -120.5 | 121.6 | 126.1 | 32.2 | -24.9 | 0 | 0 | 0 | 109.4 | N69 | N69-P71 WeakPolarHBondContact O-CD 3.44Š|
| 72 | T | 47.5 | Very low | 46.6 | Very low | 104 Ų | 104 | 141 Ų | 141 | 64% | 0.638 | 75% | 0.754 | S | S | * | * | | | trans | -63.7 | 141.3 | 161.2 | -48.2 | 0 | 0 | 0 | 0 | 108.4 | Q70 | Q70-T72 PolarHBondContact OE1-OG1 3.45Å; Q70-T72 VanDerWaalsContact OE1-OG1 3.14Å |
| 73 | E | 41.3 | Very low | 45.7 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | 112.6 | 106.8 | 151.9 | -53 | -168.1 | 178.8 | 0 | 0 | 119.2 | | |
| 74 | S | 42 | Very low | 45.7 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | 82.6 | 109.6 | 145.6 | 75.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 75 | S | 44.1 | Very low | 45.3 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | | -174 | 100.7 | 123.3 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 76 | T | 43.6 | Very low | 45.2 | Very low | 126 Ų | 126 | 141 Ų | 141 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | 27.6 | 109.9 | 143.2 | -43.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 77 | D | 43.7 | Very low | 45 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | -66 | 133 | 152.3 | -111.1 | -27 | 0 | 0 | 0 | 108.8 | | |
| 78 | P | 50.8 | Low | 45.3 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | | | | -152.4 | 156.9 | 84.6 | 36.5 | -17.4 | 0 | 0 | 0 | 115.1 | | |
| 79 | I | 37.9 | Very low | 44.8 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 80% | 0.795 | 78% | 0.778 | S | S | * | * | | | | 173.6 | 120.6 | 119.2 | -82.4 | 150.1 | 0 | 0 | 0 | 108.7 | E81 | I79-E81 PolarHBondContact O-N 2.74Š|
| 80 | K | 48.6 | Very low | 44.2 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | | | trans | -73.9 | 104.3 | 169 | -71.7 | 179.2 | 175.1 | -178.4 | 0 | 109.9 | | |
| 81 | E | 39 | Very low | 44 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | | | trans | -96.4 | 98.7 | 157.9 | -164.2 | 173.7 | -175.6 | 0 | 0 | 109.8 | I79 G83 | I79-E81 PolarHBondContact O-N 2.74Å; E81-G83 PolarHBondContact O-N 3.08Å; E81-G83 VanDerWaalsContact O-N 3.12Å |
| 82 | K | 46 | Very low | 43.8 | Very low | 187 Ų | 187 | 133.6 Ų | 133.6 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | -44.7 | 100.9 | 158.5 | 46 | -153.9 | 162.2 | -75.9 | 0 | 112 | | |
| 83 | G | 33.1 | Very low | 43.5 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | -113.5 | 87.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | E81 L85 | E81-G83 PolarHBondContact O-N 3.08Å; E81-G83 VanDerWaalsContact O-N 3.12Å; G83-L85 PolarHBondContact O-N 2.68Å |
| 84 | D | 49.3 | Very low | 43.8 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | | | trans | -69.8 | 105.3 | 166 | -177.9 | 23.6 | 0 | 0 | 0 | 107.6 | | |
| 85 | L | 45.8 | Very low | 44.1 | Very low | 171 Ų | 171 | 133 Ų | 133 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | | | trans | -144.3 | 67 | 170.6 | -133.6 | 109.6 | 0 | 0 | 0 | 108.8 | G83 | G83-L85 PolarHBondContact O-N 2.68Š|
| 86 | D | 48.4 | Very low | 44.2 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | -76.8 | 124.3 | 173.3 | -114.6 | -15.7 | 0 | 0 | 0 | 110.6 | | |
| 87 | I | 43.8 | Very low | 44.6 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | | | trans | 61.9 | 110 | 153.9 | 44.5 | 173.2 | 0 | 0 | 0 | 121.3 | | |
| 88 | S | 49.9 | Very low | 44.9 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | | | | 144.2 | 100.9 | 102.3 | 179.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 89 | A | 39.9 | Very low | 45 | Very low | 100 Ų | 100 | 137.8 Ų | 137.8 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -161.5 | 103.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 90 | G | 34.1 | Very low | 45.8 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | 46.2 | 111.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | P92 | G90-P92 WeakPolarHBondContact O-CD 3.41Š|
| 91 | S | 43.6 | Very low | 46.3 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | trans | -45.3 | 122.1 | 152.3 | -166.4 | 0 | 0 | 0 | 0 | 109.2 | Q93 | S91-Q93 PolarHBondContact O-N 3.35Š|
| 92 | P | 47.8 | Very low | 47.3 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | trans | -67.5 | 112.8 | 161.5 | 28 | -26.6 | 0 | 0 | 0 | 104.9 | G90 D94 | G90-P92 WeakPolarHBondContact O-CD 3.41Å; P92-D94 PolarHBondContact O-N 2.79Å; P92-D94 VanDerWaalsContact O-N 3.15Å |
| 93 | Q | 40.5 | Very low | 48.1 | Very low | 176 Ų | 176 | 126.4 Ų | 126.4 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | | | trans | -56.1 | 115.1 | 173 | -172.4 | 172.1 | 3.4 | 0 | 0 | 107.5 | S91 G95 | S91-Q93 PolarHBondContact O-N 3.35Å; Q93-G95 PolarHBondContact O-N 2.72Å; Q93-G95 VanDerWaalsContact O-N 3.15Å |
| 94 | D | 47.3 | Very low | 49.7 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -43.7 | 118.2 | 169.4 | -67.2 | -62.7 | 0 | 0 | 0 | 109.7 | P92 | P92-D94 PolarHBondContact O-N 2.79Å; P92-D94 VanDerWaalsContact O-N 3.15Å |
| 95 | G | 49.8 | Very low | 50.5 | Low | 55 Ų | 55 | 123 Ų | 123 | 57% | 0.567 | 70% | 0.699 | S | S | * | * | | | trans | 176.7 | -7.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | Q93 | Q93-G95 PolarHBondContact O-N 2.72Å; Q93-G95 VanDerWaalsContact O-N 3.15Å |
| 96 | E | 46 | Very low | 51.5 | Low | 147 Ų | 147 | 117.4 Ų | 117.4 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -131.9 | -18.4 | -169.7 | 48.2 | -162.4 | -168.3 | 0 | 0 | 116.2 | E98 K99 | E96-E98 PolarHBondContact O-N 3.09Å; E96-K99 PolarHBondContact O-N 3.49Å |
| 97 | E | 50.7 | Low | 52.5 | Low | 141 Ų | 141 | 118.8 Ų | 118.8 | 66% | 0.659 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71.7 | -30.7 | -176.8 | -42.5 | -175.4 | -137.4 | 0 | 0 | 113.3 | K99 D100 L101 | E97-K99 VanDerWaalsContact C-N 3.3Å; E97-K99 PolarHBondContact O-N 3.2Å; E97-D100 PolarHBondContact O-N 3.12Å; E97-L101 PolarHBondContact O-N 3.04Å |
| 98 | E | 51 | Low | 53.6 | Low | 159 Ų | 159 | 114.4 Ų | 114.4 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.2 | -29.7 | -177.2 | -168 | 177.8 | -171.8 | 0 | 0 | 112.1 | E96 V102 | E96-E98 PolarHBondContact O-N 3.09Å; E98-V102 WeakPolarHBondContact O-CG2 3.48Å; E98-V102 PolarHBondContact O-N 3.37Å |
| 99 | K | 52.4 | Low | 54.6 | Low | 149 Ų | 149 | 110.9 Ų | 110.9 | 65% | 0.648 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.3 | -36.4 | -179.8 | -64.7 | 174.2 | -173.2 | 160.8 | 0 | 111.2 | E96 E97 V102 F103 | E96-K99 PolarHBondContact O-N 3.49Å; E97-K99 VanDerWaalsContact C-N 3.3Å; E97-K99 PolarHBondContact O-N 3.2Å; K99-V102 PolarHBondContact O-N 3.5Å; K99-F103 WeakPolarHBondContact O-CB 3.31Å; K99-F103 PolarHBondContact O-N 3.22Å |
| 100 | D | 54.1 | Low | 56.2 | Low | 107 Ų | 107 | 111.1 Ų | 111.1 | 57% | 0.572 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.1 | -44 | -179.1 | -75.7 | -4.2 | 0 | 0 | 0 | 111.4 | E97 V102 F103 L104 | E97-D100 PolarHBondContact O-N 3.12Å; D100-V102 VanDerWaalsContact C-N 3.35Å; D100-V102 PolarHBondContact O-N 3.11Å; D100-F103 PolarHBondContact O-N 3.38Å; D100-L104 WeakPolarHBondContact O-CB 3.34Å; D100-L104 WeakPolarHBondContact O-CD1 3.47Å; D100-L104 WeakPolarHBondContact O-CG 3Å; D100-L104 PolarHBondContact O-N 3.37Å |
| 101 | L | 59.1 | Low | 57.8 | Low | 126 Ų | 126 | 112.4 Ų | 112.4 | 66% | 0.66 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.7 | -39.3 | 175.5 | -78.2 | 151 | 0 | 0 | 0 | 112.5 | E97 G105 | E97-L101 PolarHBondContact O-N 3.04Å; L101-G105 PolarHBondContact O-N 3.41Å |
| 102 | V | 60.2 | Low | 59 | Low | 98 Ų | 98 | 110.8 Ų | 110.8 | 59% | 0.594 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.3 | -39.4 | 175.1 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | E98 K99 D100 G105 A106 | E98-V102 WeakPolarHBondContact O-CG2 3.48Å; E98-V102 PolarHBondContact O-N 3.37Å; K99-V102 PolarHBondContact O-N 3.5Å; D100-V102 VanDerWaalsContact C-N 3.35Å; D100-V102 PolarHBondContact O-N 3.11Å; V102-G105 PolarHBondContact O-N 3.45Å; V102-A106 WeakPolarHBondContact O-CB 3.4Å; V102-A106 PolarHBondContact O-N 3.36Å |
| 103 | F | 63.5 | Low | 60.1 | Low | 148 Ų | 148 | 111.5 Ų | 111.5 | 65% | 0.649 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.1 | -44.1 | 177.8 | -171.4 | -99.6 | 0 | 0 | 0 | 112.4 | K99 D100 G105 A106 R107 | K99-F103 WeakPolarHBondContact O-CB 3.31Å; K99-F103 PolarHBondContact O-N 3.22Å; D100-F103 PolarHBondContact O-N 3.38Å; F103-G105 VanDerWaalsContact C-N 3.34Å; F103-G105 PolarHBondContact O-N 2.92Å; F103-A106 PolarHBondContact O-N 3.04Å; F103-R107 PolarHBondContact O-N 3.42Å |
| 104 | L | 67.1 | Low | 61.7 | Low | 111 Ų | 111 | 107.2 Ų | 107.2 | 58% | 0.581 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60 | -43.1 | 173.1 | -82 | 149.7 | 0 | 0 | 0 | 111.5 | D100 R107 A108 | D100-L104 WeakPolarHBondContact O-CB 3.34Å; D100-L104 WeakPolarHBondContact O-CD1 3.47Å; D100-L104 WeakPolarHBondContact O-CG 3Å; D100-L104 PolarHBondContact O-N 3.37Å; L104-R107 PolarHBondContact O-N 2.96Å; L104-A108 PolarHBondContact O-N 2.95Å; L104-A108 VanDerWaalsContact O-N 3.16Å |
| 105 | G | 65.3 | Low | 62.7 | Low | 35 Ų | 35 | 107.9 Ų | 107.9 | 36% | 0.361 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.3 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L101 V102 F103 R107 A108 C109 | L101-G105 PolarHBondContact O-N 3.41Å; V102-G105 PolarHBondContact O-N 3.45Å; F103-G105 VanDerWaalsContact C-N 3.34Å; F103-G105 PolarHBondContact O-N 2.92Å; G105-R107 VanDerWaalsContact C-N 3.34Å; G105-A108 PolarHBondContact O-N 3.11Å; G105-C109 PolarHBondContact O-N 2.82Å; G105-C109 VanDerWaalsContact O-N 3.17Å; G105-C109 PolarHBondContact O-SG 3.04Å |
| 106 | A | 67.1 | Low | 63.4 | Low | 54 Ų | 54 | 111.5 Ų | 111.5 | 45% | 0.446 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.3 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V102 F103 C109 L110 | V102-A106 WeakPolarHBondContact O-CB 3.4Å; V102-A106 PolarHBondContact O-N 3.36Å; F103-A106 PolarHBondContact O-N 3.04Å; A106-C109 PolarHBondContact O-N 3.15Å; A106-L110 WeakPolarHBondContact O-CB 3.32Å; A106-L110 PolarHBondContact O-N 2.97Å |
| 107 | R | 68.7 | Low | 64.1 | Low | 169 Ų | 169 | 106.9 Ų | 106.9 | 64% | 0.638 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | 176.7 | -173 | 177.8 | 174 | -177.2 | -1.2 | 111.9 | F103 L104 G105 C109 L110 E111 | F103-R107 PolarHBondContact O-N 3.42Å; L104-R107 PolarHBondContact O-N 2.96Å; G105-R107 VanDerWaalsContact C-N 3.34Å; R107-C109 PolarHBondContact O-N 3.15Å; R107-L110 PolarHBondContact O-N 3.22Å; R107-E111 PolarHBondContact O-N 3.43Å |
| 108 | A | 67.3 | Low | 64.4 | Low | 62 Ų | 62 | 104.6 Ų | 104.6 | 51% | 0.512 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L104 G105 E111 E112 | L104-A108 PolarHBondContact O-N 2.95Å; L104-A108 VanDerWaalsContact O-N 3.16Å; G105-A108 PolarHBondContact O-N 3.11Å; A108-E111 PolarHBondContact O-N 3.28Å; A108-E112 PolarHBondContact O-N 3.04Å; A108-E112 VanDerWaalsContact O-N 3.15Å |
| 109 | C | 70.7 | Confident | 64.8 | Low | 46 Ų | 46 | 103.2 Ų | 103.2 | 31% | 0.311 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 177.4 | -65.9 | 0 | 0 | 0 | 0 | 112.5 | G105 A106 R107 H113 | G105-C109 PolarHBondContact O-N 2.82Å; G105-C109 VanDerWaalsContact O-N 3.17Å; G105-C109 PolarHBondContact O-SG 3.04Å; A106-C109 PolarHBondContact O-N 3.15Å; R107-C109 PolarHBondContact O-N 3.15Å; C109-H113 WeakPolarHBondContact O-CB 3.41Å; C109-H113 PolarHBondContact O-N 3Å; C109-H113 VanDerWaalsContact O-N 3.15Å |
| 110 | L | 74.3 | Confident | 64.4 | Low | 105 Ų | 105 | 105.5 Ų | 105.5 | 55% | 0.55 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.7 | -41.6 | 178.2 | -177.2 | 61.1 | 0 | 0 | 0 | 111.9 | A106 R107 H113 I114 | A106-L110 WeakPolarHBondContact O-CB 3.32Å; A106-L110 PolarHBondContact O-N 2.97Å; R107-L110 PolarHBondContact O-N 3.22Å; L110-H113 PolarHBondContact O-N 3.31Å; L110-I114 HydrophobicContact CD1-CD1 4.27Å; L110-I114 HydrophobicContact CD1-CG1 4.47Å; L110-I114 HydrophobicContact CG-CD1 4.01Å; L110-I114 VanDerWaalsContact O-CG1 3.32Å; L110-I114 WeakPolarHBondContact O-CG1 3.3Å; L110-I114 PolarHBondContact O-N 3.17Å |
| 111 | E | 67.9 | Low | 64.1 | Low | 96 Ų | 96 | 105.2 Ų | 105.2 | 45% | 0.449 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 178.6 | -169.5 | 177.6 | 161.3 | 0 | 0 | 112 | R107 A108 I114 R115 | R107-E111 PolarHBondContact O-N 3.43Å; A108-E111 PolarHBondContact O-N 3.28Å; E111-I114 PolarHBondContact O-N 3.45Å; E111-R115 WeakPolarHBondContact O-CB 3.44Å; E111-R115 WeakPolarHBondContact O-CG 3.21Å; E111-R115 PolarHBondContact O-N 2.9Å; E111-R115 IonicContact OE1-NH2 3.91Å |
| 112 | E | 67.9 | Low | 63.4 | Low | 78 Ų | 78 | 102 Ų | 102 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 174.5 | -164.4 | -162.6 | -163 | 0 | 0 | 111.8 | A108 R115 R116 | A108-E112 PolarHBondContact O-N 3.04Å; A108-E112 VanDerWaalsContact O-N 3.15Å; E112-R115 PolarHBondContact O-N 3.47Å; E112-R116 VanDerWaalsContact CD-CZ 3.45Å; E112-R116 WeakPolarHBondContact O-CG 3.34Å; E112-R116 PolarHBondContact O-N 3.11Å; E112-R116 IonicContact OE1-CZ 3.03Å; E112-R116 IonicContact OE1-NH1 2.97Å; E112-R116 PolarHBondContact OE1-NH1 3.16Å; E112-R116 IonicContact OE1-NH2 2.65Å; E112-R116 PolarHBondContact OE1-NH2 3.45Å; E112-R116 IonicContact OE2-CZ 3.8Å; E112-R116 IonicContact OE2-NH1 2.94Å; E112-R116 PolarHBondContact OE2-NH1 3.01Å |
| 113 | H | 72.1 | Confident | 62.7 | Low | 126 Ų | 126 | 102.6 Ų | 102.6 | 58% | 0.583 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.2 | -45 | 177 | -175.9 | 73.8 | 0 | 0 | 0 | 112 | C109 L110 R116 S117 | C109-H113 WeakPolarHBondContact O-CB 3.41Å; C109-H113 PolarHBondContact O-N 3Å; C109-H113 VanDerWaalsContact O-N 3.15Å; L110-H113 PolarHBondContact O-N 3.31Å; H113-R116 PolarHBondContact O-N 2.83Å; H113-S117 WeakPolarHBondContact O-CB 3.49Å; H113-S117 PolarHBondContact O-N 2.97Å; H113-S117 PolarHBondContact O-OG 3.43Å |
| 114 | I | 72.9 | Confident | 62 | Low | 87 Ų | 87 | 99 Ų | 99 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 175.7 | -68 | 166.5 | 0 | 0 | 0 | 109.9 | L110 E111 R116 S117 V118 | L110-I114 HydrophobicContact CD1-CD1 4.27Å; L110-I114 HydrophobicContact CD1-CG1 4.47Å; L110-I114 HydrophobicContact CG-CD1 4.01Å; L110-I114 VanDerWaalsContact O-CG1 3.32Å; L110-I114 WeakPolarHBondContact O-CG1 3.3Å; L110-I114 PolarHBondContact O-N 3.17Å; E111-I114 PolarHBondContact O-N 3.45Å; I114-R116 PolarHBondContact O-N 3.47Å; I114-S117 WeakPolarHBondContact CA-OG 3.38Å; I114-S117 PolarHBondContact O-N 3.49Å; I114-S117 VanDerWaalsContact O-N 3.15Å; I114-S117 PolarHBondContact O-OG 2.94Å; I114-V118 HydrophobicContact CG2-CG2 4.22Å; I114-V118 VanDerWaalsContact O-CG2 3.3Å; I114-V118 WeakPolarHBondContact O-CG2 3.47Å; I114-V118 PolarHBondContact O-N 3.45Å |
| 115 | R | 69.2 | Low | 61 | Low | 166 Ų | 166 | 101 Ų | 101 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57 | -45.3 | 177.2 | -78.7 | 179.7 | 166.3 | -168.2 | -1.9 | 112.9 | E111 E112 V118 L119 | E111-R115 WeakPolarHBondContact O-CB 3.44Å; E111-R115 WeakPolarHBondContact O-CG 3.21Å; E111-R115 PolarHBondContact O-N 2.9Å; E111-R115 IonicContact OE1-NH2 3.91Å; E112-R115 PolarHBondContact O-N 3.47Å; R115-V118 PolarHBondContact O-N 3.49Å; R115-L119 PolarHBondContact O-N 2.97Å; R115-L119 VanDerWaalsContact O-N 3.08Å |
| 116 | R | 64.8 | Low | 60.2 | Low | 132 Ų | 132 | 104.2 Ų | 104.2 | 50% | 0.498 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 176.2 | -77 | -176.3 | 174.7 | 126.4 | 6.8 | 112.5 | E112 H113 I114 L119 Y120 | E112-R116 VanDerWaalsContact CD-CZ 3.45Å; E112-R116 WeakPolarHBondContact O-CG 3.34Å; E112-R116 PolarHBondContact O-N 3.11Å; E112-R116 IonicContact OE1-CZ 3.03Å; E112-R116 IonicContact OE1-NH1 2.97Å; E112-R116 PolarHBondContact OE1-NH1 3.16Å; E112-R116 IonicContact OE1-NH2 2.65Å; E112-R116 PolarHBondContact OE1-NH2 3.45Å; E112-R116 IonicContact OE2-CZ 3.8Å; E112-R116 IonicContact OE2-NH1 2.94Å; E112-R116 PolarHBondContact OE2-NH1 3.01Å; H113-R116 PolarHBondContact O-N 2.83Å; I114-R116 PolarHBondContact O-N 3.47Å; R116-L119 PolarHBondContact O-N 3.49Å; R116-Y120 WeakPolarHBondContact O-CB 3.32Å; R116-Y120 PolarHBondContact O-N 3.21Å |
| 117 | S | 59.8 | Low | 59.1 | Low | 49 Ų | 49 | 107.5 Ų | 107.5 | 34% | 0.343 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.6 | -37.2 | 178.3 | 68.3 | 0 | 0 | 0 | 0 | 112.5 | H113 I114 Y120 V121 | H113-S117 WeakPolarHBondContact O-CB 3.49Å; H113-S117 PolarHBondContact O-N 2.97Å; H113-S117 PolarHBondContact O-OG 3.43Å; I114-S117 WeakPolarHBondContact CA-OG 3.38Å; I114-S117 PolarHBondContact O-N 3.49Å; I114-S117 VanDerWaalsContact O-N 3.15Å; I114-S117 PolarHBondContact O-OG 2.94Å; S117-Y120 PolarHBondContact O-N 3.01Å; S117-V121 WeakPolarHBondContact O-CG2 3.45Å; S117-V121 PolarHBondContact O-N 3.31Å |
| 118 | V | 58.1 | Low | 58 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68 | -38.6 | 176.4 | 172.9 | 0 | 0 | 0 | 0 | 111 | I114 R115 Y120 V121 G122 | I114-V118 HydrophobicContact CG2-CG2 4.22Å; I114-V118 VanDerWaalsContact O-CG2 3.3Å; I114-V118 WeakPolarHBondContact O-CG2 3.47Å; I114-V118 PolarHBondContact O-N 3.45Å; R115-V118 PolarHBondContact O-N 3.49Å; V118-Y120 VanDerWaalsContact C-N 3.31Å; V118-Y120 PolarHBondContact O-N 3.38Å; V118-V121 PolarHBondContact O-N 2.86Å; V118-G122 PolarHBondContact O-N 3.22Å |
| 119 | L | 57.4 | Low | 56.9 | Low | 129 Ų | 129 | 110.4 Ų | 110.4 | 68% | 0.675 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.7 | -35.3 | 170.7 | -78.6 | 157.9 | 0 | 0 | 0 | 112.3 | R115 R116 G122 | R115-L119 PolarHBondContact O-N 2.97Å; R115-L119 VanDerWaalsContact O-N 3.08Å; R116-L119 PolarHBondContact O-N 3.49Å; L119-G122 PolarHBondContact O-N 2.95Å |
| 120 | Y | 44.1 | Very low | 55.7 | Low | 197 Ų | 197 | 115.7 Ų | 115.7 | 77% | 0.773 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.6 | -27.8 | 177.1 | -172.1 | -100.4 | 0 | 0 | 0 | 113.4 | R116 S117 V118 | R116-Y120 WeakPolarHBondContact O-CB 3.32Å; R116-Y120 PolarHBondContact O-N 3.21Å; S117-Y120 PolarHBondContact O-N 3.01Å; V118-Y120 VanDerWaalsContact C-N 3.31Å; V118-Y120 PolarHBondContact O-N 3.38Å |
| 121 | V | 47.7 | Very low | 54.4 | Low | 102 Ų | 102 | 119.9 Ų | 119.9 | 62% | 0.618 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -85.5 | -19.4 | 176.2 | 175.7 | 0 | 0 | 0 | 0 | 112 | S117 V118 D123 S124 | S117-V121 WeakPolarHBondContact O-CG2 3.45Å; S117-V121 PolarHBondContact O-N 3.31Å; V118-V121 PolarHBondContact O-N 2.86Å; V121-D123 PolarHBondContact O-N 3.42Å; V121-S124 PolarHBondContact O-OG 3.49Å |
| 122 | G | 45 | Very low | 53.5 | Low | 59 Ų | 59 | 122 Ų | 122 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -15.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | V118 L119 | V118-G122 PolarHBondContact O-N 3.22Å; L119-G122 PolarHBondContact O-N 2.95Å |
| 123 | D | 44.8 | Very low | 52.4 | Low | 110 Ų | 110 | 123.4 Ų | 123.4 | 59% | 0.588 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 12.3 | -173.3 | -73.1 | -28.3 | 0 | 0 | 0 | 114.3 | V121 D125 T126 | V121-D123 PolarHBondContact O-N 3.42Å; D123-D125 PolarHBondContact O-N 3.4Å; D123-D125 VanDerWaalsContact O-N 3.12Å; D123-T126 PolarHBondContact O-N 3.39Å; D123-T126 PolarHBondContact O-OG1 3.4Å |
| 124 | S | 49.6 | Very low | 51 | Low | 73 Ų | 73 | 126.6 Ų | 126.6 | 51% | 0.51 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.3 | -12.9 | -177.5 | 49.2 | 0 | 0 | 0 | 0 | 114.7 | V121 T126 | V121-S124 PolarHBondContact O-OG 3.49Å; S124-T126 VanDerWaalsContact C-N 3.31Å |
| 125 | D | 46.2 | Very low | 49.5 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -14.1 | 176.3 | -74.2 | -21.6 | 0 | 0 | 0 | 113.5 | D123 | D123-D125 PolarHBondContact O-N 3.4Å; D123-D125 VanDerWaalsContact O-N 3.12Å |
| 126 | T | 48.5 | Very low | 48.2 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -18.8 | 178 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | D123 S124 | D123-T126 PolarHBondContact O-N 3.39Å; D123-T126 PolarHBondContact O-OG1 3.4Å; S124-T126 VanDerWaalsContact C-N 3.31Å |
| 127 | L | 44.1 | Very low | 47.1 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -86.8 | -8 | -176.5 | -116.3 | 139.5 | 0 | 0 | 0 | 114.3 | K129 | L127-K129 VanDerWaalsContact C-N 3.26Å; L127-K129 PolarHBondContact O-N 3.14Å |
| 128 | S | 45.2 | Very low | 46.6 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -72 | -17.7 | 176.9 | -167.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 129 | K | 45.4 | Very low | 46.1 | Very low | 193 Ų | 193 | 127.4 Ų | 127.4 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -85.4 | -5.7 | -179.3 | -69.4 | -172.7 | 178.7 | -178.8 | 0 | 115.2 | L127 | L127-K129 VanDerWaalsContact C-N 3.26Å; L127-K129 PolarHBondContact O-N 3.14Å |
| 130 | M | 43.9 | Very low | 45.2 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -98.6 | 4.3 | 179.8 | -79.6 | -176.7 | 145.2 | 0 | 0 | 114.5 | T132 | M130-T132 PolarHBondContact O-N 3.43Š|
| 131 | K | 47.3 | Very low | 45.5 | Very low | 194 Ų | 194 | 127.4 Ų | 127.4 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | | | trans | -100.2 | 50.9 | 178.7 | -92.9 | -178.2 | 173.1 | 179.2 | 0 | 113 | | |
| 132 | T | 48.4 | Very low | 45.3 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | | | trans | -141.6 | 58.9 | 159 | -25.8 | 0 | 0 | 0 | 0 | 109.5 | M130 | M130-T132 PolarHBondContact O-N 3.43Š|
| 133 | S | 45.2 | Very low | 45.3 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -137.5 | 130 | 158.1 | 68.1 | 0 | 0 | 0 | 0 | 109 | | |
| 134 | E | 43 | Very low | 45.5 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -37.4 | 152.8 | -169.2 | -60.2 | 171.9 | 165.6 | 0 | 0 | 117.6 | | |
| 135 | S | 40.9 | Very low | 44.8 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 156 | 175.3 | 52.4 | 0 | 0 | 0 | 0 | 115 | | |
| 136 | P | 43.5 | Very low | 44.7 | Very low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 150.6 | -170.4 | 35 | -33.6 | 0 | 0 | 0 | 113 | S138 | P136-S138 PolarHBondContact O-N 3.15Š|
| 137 | P | 40.6 | Very low | 44.1 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 120.9 | 158.4 | 29.3 | -28.2 | 0 | 0 | 0 | 110.1 | | |
| 138 | S | 49.7 | Very low | 43.9 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | -19.7 | 132.9 | 159.1 | 179.9 | 0 | 0 | 0 | 0 | 116.7 | P136 | P136-S138 PolarHBondContact O-N 3.15Š|
| 139 | G | 47.2 | Very low | 43.6 | Very low | 66 Ų | 66 | 138.8 Ų | 138.8 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | | | trans | 112.3 | 79.9 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 140 | H | 39.1 | Very low | 43.3 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | | -175.1 | 119.5 | 127.6 | -131.1 | -69.9 | 0 | 0 | 0 | 109.9 | | |
| 141 | I | 51 | Low | 43.4 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | | | trans | -86.7 | 120.1 | 162.7 | -58.7 | 172.6 | 0 | 0 | 0 | 105.7 | Q143 | I141-Q143 PolarHBondContact O-N 3.15Š|
| 142 | P | 42.7 | Very low | 43 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | -79.6 | 102 | 164.4 | 16.5 | -4.3 | 0 | 0 | 0 | 107.7 | | |
| 143 | Q | 43.9 | Very low | 42.7 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -56.6 | 141.2 | 163.1 | -70.9 | -177.3 | -25.7 | 0 | 0 | 109.2 | I141 G145 | I141-Q143 PolarHBondContact O-N 3.15Å; Q143-G145 PolarHBondContact O-N 3.05Å |
| 144 | S | 49.4 | Very low | 42.7 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | | | trans | -49.1 | 106.1 | 170.4 | 52.3 | 0 | 0 | 0 | 0 | 111 | | |
| 145 | G | 36.1 | Very low | 42.5 | Very low | 59 Ų | 59 | 127.6 Ų | 127.6 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | | | trans | -112.2 | 122.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q143 F147 | Q143-G145 PolarHBondContact O-N 3.05Å; G145-F147 PolarHBondContact O-N 3.3Å |
| 146 | V | 42.8 | Very low | 42.7 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | | | trans | -55.8 | 120 | 177.1 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | C148 | V146-C148 PolarHBondContact O-N 3.12Š|
| 147 | F | 37 | Very low | 42.6 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | | | trans | -83.3 | 96.5 | 166.9 | -93.5 | -88 | 0 | 0 | 0 | 109.3 | G145 | G145-F147 PolarHBondContact O-N 3.3Š|
| 148 | C | 39.6 | Very low | 42.8 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | | | trans | -75.3 | 114 | 157.4 | -64.7 | 0 | 0 | 0 | 0 | 107.9 | V146 | V146-C148 PolarHBondContact O-N 3.12Š|
| 149 | N | 38.9 | Very low | 42.4 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | | | trans | -96.1 | 107.8 | 165.2 | -73 | -39.3 | 0 | 0 | 0 | 108.3 | | |
| 150 | S | 38 | Very low | 42.1 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 152.5 | 163.2 | -84.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 151 | P | 47.6 | Very low | 42.3 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 137.4 | -172 | 31.7 | -32.6 | 0 | 0 | 0 | 111.9 | A153 | P151-A153 PolarHBondContact O-N 3.27Š|
| 152 | N | 38.1 | Very low | 41.7 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 121.2 | 173.3 | -79.8 | -39.1 | 0 | 0 | 0 | 111 | | |
| 153 | A | 43.4 | Very low | 41.6 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 124.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | P151 | P151-A153 PolarHBondContact O-N 3.27Š|
| 154 | V | 43.7 | Very low | 41.4 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 84% | 0.842 | 83% | 0.831 | S | S | * | * | | | trans | -109.6 | 117.7 | 164 | 168.8 | 0 | 0 | 0 | 0 | 106.5 | | |
| 155 | S | 39.3 | Very low | 40.8 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | | | trans | -125.2 | 127.4 | 164.8 | -162.5 | 0 | 0 | 0 | 0 | 106.4 | | |
| 156 | N | 44.9 | Very low | 41.2 | Very low | 231 Ų | 231 | 141.7 Ų | 141.7 | 100% | 1.235 | 85% | 0.846 | S | S | * | * | | | trans | -125.1 | 0 | 155.5 | -91.7 | -15.5 | 0 | 0 | 0 | 106.7 | | |