| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43 | Very low | 46.3 | Very low | 232 Ų | 232 | 149 Ų | 149 | 100% | 1.143 | 84% | 0.841 | S | S | * | * | 0 | 164.1 | 0 | -74.6 | 173.9 | 168.9 | 0 | 0 | 108.3 | |||||
| 2 | T | 46.6 | Very low | 46.3 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 91% | 0.908 | 84% | 0.837 | S | S | * | * | trans | 51.6 | 110.5 | 174.5 | 44.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 3 | A | 43.4 | Very low | 46.3 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | trans | -96.7 | 152.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 4 | E | 49.5 | Very low | 45.8 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -108.4 | 123.1 | -179.1 | 175.8 | -170.3 | 107.4 | 0 | 0 | 110.2 | ||||
| 5 | V | 48.1 | Very low | 45.4 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | trans | -152.2 | 104.4 | 164.2 | -176 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 6 | Q | 43.2 | Very low | 45.1 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 77% | 0.766 | 84% | 0.838 | S | S | * | * | 84 | 127.1 | 72.1 | -154.1 | 69.3 | 1.3 | 0 | 0 | 114.9 | |||||
| 7 | Q | 41.5 | Very low | 44.9 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -83 | -170.9 | 176.1 | -114.5 | -176.5 | 13 | 0 | 0 | 111.5 | ||||
| 8 | P | 55.8 | Low | 45.5 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | cis | -129.4 | -115.2 | -3.5 | 23.2 | 4.9 | 0 | 0 | 0 | 116.3 | ||||
| 9 | P | 57.3 | Low | 45 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | -133.3 | 166.7 | -110.2 | 42.6 | -25.6 | 0 | 0 | 0 | 119.5 | |||||
| 10 | A | 41 | Very low | 44.7 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -161.8 | 119 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 11 | Q | 40.4 | Very low | 44.5 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | 76.5 | 103.4 | 79 | -71.1 | -166.6 | 25.5 | 0 | 0 | 117.1 | |||||
| 12 | T | 46.1 | Very low | 44.8 | Very low | 128 Ų | 128 | 133 Ų | 133 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | 26.3 | 137.8 | 147.1 | 50.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 13 | P | 46.1 | Very low | 44.3 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | -145.2 | 143.6 | 102.4 | 38 | -25 | 0 | 0 | 0 | 116.2 | |||||
| 14 | A | 38.9 | Very low | 44.1 | Very low | 99 Ų | 99 | 139 Ų | 139 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 177 | 129 | 144.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 15 | Q | 39.8 | Very low | 44.1 | Very low | 205 Ų | 205 | 136.6 Ų | 136.6 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | trans | -143.8 | 158.2 | 157.8 | -79.2 | -166.9 | -15.4 | 0 | 0 | 108.8 | ||||
| 16 | S | 41.3 | Very low | 43.8 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -142.3 | 155.5 | -166 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 17 | S | 41.8 | Very low | 43.3 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | 71.4 | 161.4 | 161.4 | -63.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 18 | P | 55.6 | Low | 43 | Very low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | cis | -139.6 | -177.3 | -29.7 | 32.9 | -12.9 | 0 | 0 | 0 | 115.3 | ||||
| 19 | M | 36.2 | Very low | 42 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 83% | 0.833 | 82% | 0.816 | S | S | * | * | trans | 94.6 | 147.1 | 133.8 | -109.4 | 165.7 | 65.3 | 0 | 0 | 123.7 | ||||
| 20 | S | 37.7 | Very low | 41 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | 82.6 | 131.4 | 151 | -61.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 21 | A | 41.1 | Very low | 41 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -118.9 | 164.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 22 | P | 50.2 | Low | 41.2 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | -129.7 | -174.5 | 158 | 36.3 | -21.4 | 0 | 0 | 0 | 113.8 | ||||
| 23 | E | 35.3 | Very low | 40.9 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -101.4 | -177.2 | -153.7 | -61.3 | 174.1 | 80.7 | 0 | 0 | 116.6 | ||||
| 24 | K | 40.1 | Very low | 40.3 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -80.3 | 159.3 | 168.5 | -57.1 | 174.1 | 180 | 175.2 | 0 | 111.8 | ||||
| 25 | P | 49 | Very low | 40.4 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -114.3 | 157.4 | 144.3 | 35.5 | -28.2 | 0 | 0 | 0 | 112.9 | ||||
| 26 | H | 40.7 | Very low | 40.3 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -102.7 | 153.2 | 162.7 | -87.6 | 91.9 | 0 | 0 | 0 | 109.7 | ||||
| 27 | G | 34.1 | Very low | 40.1 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -161.1 | 132.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 28 | Q | 35.6 | Very low | 40.1 | Very low | 192 Ų | 192 | 137.6 Ų | 137.6 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -87.5 | 160.3 | 177.1 | -63.6 | 172.1 | -20.9 | 0 | 0 | 111.2 | ||||
| 29 | T | 33.1 | Very low | 39.5 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | trans | -163.7 | 127.9 | 144.5 | -79.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 30 | T | 37.8 | Very low | 39.8 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 54.5 | 124.4 | 157.7 | -54.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 31 | V | 40.4 | Very low | 39.9 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -95.2 | 151.8 | 161.3 | -71.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 32 | M | 44.2 | Very low | 40.1 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 93% | 0.931 | 81% | 0.813 | S | S | * | * | trans | -152.6 | 140.1 | 154 | -111.2 | 174.2 | -170.8 | 0 | 0 | 111.9 | ||||
| 33 | E | 39.1 | Very low | 40 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -71.4 | 172 | 169.8 | -90.1 | -164 | 67.5 | 0 | 0 | 112.4 | ||||
| 34 | T | 34.4 | Very low | 40.5 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | cis | -158.2 | 149.4 | -8.8 | -116.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 35 | A | 40.3 | Very low | 40.8 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | 174.1 | 91.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S37 | A35-S37 PolarHBondContact O-N 3.33Š| ||
| 36 | S | 39.2 | Very low | 40.8 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -74.2 | 113 | 169.8 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 37 | S | 35.8 | Very low | 41.3 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | -119.5 | 95.7 | 167 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | A35 T39 | A35-S37 PolarHBondContact O-N 3.33Å; S37-T39 VanDerWaalsContact C-N 3.27Å; S37-T39 PolarHBondContact O-N 3.5Å | ||
| 38 | T | 43.3 | Very low | 42.5 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -74.8 | 73 | -177.1 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | K40 | T38-K40 PolarHBondContact O-N 3.2Š| ||
| 39 | T | 41.4 | Very low | 43.9 | Very low | 115 Ų | 115 | 137 Ų | 137 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -71.2 | 125.9 | 161 | 56 | 0 | 0 | 0 | 0 | 108.6 | S37 T41 | S37-T39 VanDerWaalsContact C-N 3.27Å; S37-T39 PolarHBondContact O-N 3.5Å; T39-T41 VanDerWaalsContact C-N 3.34Å; T39-T41 PolarHBondContact O-N 3Å | ||
| 40 | K | 43.4 | Very low | 45.5 | Very low | 208 Ų | 208 | 141.8 Ų | 141.8 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | trans | -72 | 89.4 | -179.1 | -71.7 | -179.8 | 179.7 | 175.7 | 0 | 109.3 | T38 K42 | T38-K40 PolarHBondContact O-N 3.2Å; K40-K42 PolarHBondContact O-N 3.08Å | ||
| 41 | T | 40.3 | Very low | 47.5 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -62.7 | 86.6 | 174.3 | -45.8 | 0 | 0 | 0 | 0 | 109.6 | T39 K43 | T39-T41 VanDerWaalsContact C-N 3.34Å; T39-T41 PolarHBondContact O-N 3Å; T41-K43 VanDerWaalsContact C-N 3.34Å; T41-K43 PolarHBondContact O-N 3.48Å | ||
| 42 | K | 44.7 | Very low | 49.6 | Very low | 182 Ų | 182 | 140.9 Ų | 140.9 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -58.4 | 100.6 | 172.1 | -174.7 | 174.8 | -175.7 | 173.7 | 0 | 106.4 | K40 T44 | K40-K42 PolarHBondContact O-N 3.08Å; K42-T44 HydrophobicContact CD-CG2 4.46Å; K42-T44 HydrophobicContact CG-CG2 4.14Å; K42-T44 PolarHBondContact O-N 3.31Å | ||
| 43 | K | 47.8 | Very low | 51.7 | Low | 200 Ų | 200 | 137.8 Ų | 137.8 | 87% | 0.87 | 73% | 0.732 | S | S | * | * | trans | -69.6 | 65.4 | -176.9 | -168.5 | 176 | -179 | 177.3 | 0 | 109.7 | T41 N45 | T41-K43 VanDerWaalsContact C-N 3.34Å; T41-K43 PolarHBondContact O-N 3.48Å; K43-N45 PolarHBondContact O-N 3.43Å | ||
| 44 | T | 46.6 | Very low | 54.1 | Low | 90 Ų | 90 | 130 Ų | 130 | 55% | 0.552 | 70% | 0.697 | S | S | * | * | trans | -57.5 | 125.8 | 172.7 | 63.1 | 0 | 0 | 0 | 0 | 106.6 | K42 A46 | K42-T44 HydrophobicContact CD-CG2 4.46Å; K42-T44 HydrophobicContact CG-CG2 4.14Å; K42-T44 PolarHBondContact O-N 3.31Å; T44-A46 VanDerWaalsContact C-N 3.26Å; T44-A46 PolarHBondContact O-N 3.25Å | ||
| 45 | N | 46.7 | Very low | 56.7 | Low | 154 Ų | 154 | 129.3 Ų | 129.3 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | trans | -68.9 | 89.9 | -177.8 | -173.7 | -4.3 | 0 | 0 | 0 | 108.4 | K43 G47 | K43-N45 PolarHBondContact O-N 3.43Å; N45-G47 PolarHBondContact O-N 3.03Å; N45-G47 PolarHBondContact OD1-N 3.17Å | ||
| 46 | A | 47.8 | Very low | 59.2 | Low | 77 Ų | 77 | 128.7 Ų | 128.7 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | trans | -75.8 | 32.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T44 I48 | T44-A46 VanDerWaalsContact C-N 3.26Å; T44-A46 PolarHBondContact O-N 3.25Å; A46-I48 PolarHBondContact O-N 2.71Å | ||
| 47 | G | 50.4 | Low | 61.9 | Low | 42 Ų | 42 | 124.7 Ų | 124.7 | 43% | 0.433 | 65% | 0.646 | S | S | . | * | trans | -56.6 | 106.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | N45 R49 | N45-G47 PolarHBondContact O-N 3.03Å; N45-G47 PolarHBondContact OD1-N 3.17Å; G47-R49 PolarHBondContact O-N 3.05Å; G47-R49 VanDerWaalsContact O-N 3.09Å | ||
| 48 | I | 60.7 | Low | 64.8 | Low | 156 Ų | 156 | 122.1 Ų | 122.1 | 80% | 0.8 | 62% | 0.621 | S | S | * | * | trans | 23.3 | 73.2 | 171.1 | -50.2 | 83.6 | 0 | 0 | 0 | 112.3 | A46 R50 | A46-I48 PolarHBondContact O-N 2.71Å; I48-R50 PolarHBondContact O-N 2.92Å | ||
| 49 | R | 63.6 | Low | 67.3 | Low | 209 Ų | 209 | 117.4 Ų | 117.4 | 79% | 0.789 | 59% | 0.59 | S | S | * | * | trans | -55.4 | 114.4 | 172.4 | -74.1 | -168 | -179.3 | -175.2 | 3.4 | 107.5 | G47 | G47-R49 PolarHBondContact O-N 3.05Å; G47-R49 VanDerWaalsContact O-N 3.09Å | ||
| 50 | R | 68.1 | Low | 69.8 | Low | 231 Ų | 231 | 112 Ų | 112 | 87% | 0.872 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 127.1 | -178.8 | -65.3 | -172.8 | -176.4 | 108.8 | -1.3 | 107.8 | I48 E52 | I48-R50 PolarHBondContact O-N 2.92Å; R50-E52 PolarHBondContact O-N 3.21Å |
| 51 | P | 79.1 | Confident | 72.4 | Confident | 63 Ų | 63 | 102.3 Ų | 102.3 | 41% | 0.409 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 131.5 | -176.7 | 19.8 | -32.5 | 0 | 0 | 0 | 110 | P88 F89 | P51-P88 HydrophobicContact CB-CB 3.86Å; P51-P88 HydrophobicContact CG-CB 4.38Å; P51-F89 WeakPolarHBondContact O-CD2 3.37Å |
| 52 | E | 84.4 | Confident | 75.1 | Confident | 179 Ų | 179 | 96.4 Ų | 96.4 | 84% | 0.836 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 145.1 | -172.1 | -165.7 | 173.9 | 162.3 | 0 | 0 | 111.4 | R50 P54 | R50-E52 PolarHBondContact O-N 3.21Å; E52-P54 WeakPolarHBondContact O-CD 3.37Å |
| 53 | K | 87.6 | Confident | 77.6 | Confident | 124 Ų | 124 | 87.8 Ų | 87.8 | 54% | 0.539 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -68 | 123.7 | 178.7 | -177.8 | 177.8 | 177.6 | 179.8 | 0 | 109.4 | F89 | K53-F89 HydrophobicContact CB-CD2 4.12Å; K53-F89 HydrophobicContact CB-CE1 4.49Å; K53-F89 HydrophobicContact CB-CE2 3.87Å; K53-F89 HydrophobicContact CB-CZ 4.07Å; K53-F89 HydrophobicContact CD-CZ 4.2Å; K53-F89 HydrophobicContact CG-CD1 4.44Å; K53-F89 HydrophobicContact CG-CE1 4.02Å; K53-F89 HydrophobicContact CG-CE2 4.23Å; K53-F89 HydrophobicContact CG-CZ 3.91Å |
| 54 | P | 90.1 | Very high | 79.9 | Confident | 15 Ų | 15 | 79.8 Ų | 79.8 | 10% | 0.097 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 143.7 | -178.3 | -26.3 | 34.4 | 0 | 0 | 0 | 112.8 | E52 Y56 F87 F90 | E52-P54 WeakPolarHBondContact O-CD 3.37Å; P54-Y56 HydrophobicContact CB-CD2 3.72Å; P54-Y56 HydrophobicContact CB-CE2 4.33Å; P54-Y56 PolarHBondContact O-N 2.81Å; P54-F87 HydrophobicContact CB-CD1 3.93Å; P54-F87 HydrophobicContact CB-CE1 4.1Å; P54-F87 HydrophobicContact CB-CG 4.46Å; P54-F87 HydrophobicContact CG-CB 3.82Å; P54-F87 HydrophobicContact CG-CD1 3.53Å; P54-F87 HydrophobicContact CG-CE1 4.19Å; P54-F87 HydrophobicContact CG-CG 3.71Å; P54-F90 HydrophobicContact CG-CE2 4.35Å |
| 55 | P | 90.3 | Very high | 82.3 | Confident | 103 Ų | 103 | 75.5 Ų | 75.5 | 67% | 0.669 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -75.5 | 31.7 | -173.9 | 32.4 | -37.9 | 0 | 0 | 0 | 114.4 | ||
| 56 | Y | 92.8 | Very high | 84.7 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 30% | 0.298 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -116.9 | 154.4 | -173 | -57.2 | -66.5 | 0 | 0 | 0 | 111.3 | P54 L61 M64 F87 F142 | P54-Y56 HydrophobicContact CB-CD2 3.72Å; P54-Y56 HydrophobicContact CB-CE2 4.33Å; P54-Y56 PolarHBondContact O-N 2.81Å; Y56-L61 HydrophobicContact CD2-CD2 4.18Å; Y56-L61 HydrophobicContact CG-CD2 4.47Å; Y56-M64 HydrophobicContact CD1-CE 4.06Å; Y56-M64 HydrophobicContact CD2-CE 3.86Å; Y56-M64 HydrophobicContact CE1-CE 4.37Å; Y56-M64 HydrophobicContact CE2-CE 4.19Å; Y56-M64 HydrophobicContact CG-CE 3.8Å; Y56-F87 HydrophobicContact CD2-CE1 4.26Å; Y56-F87 HydrophobicContact CD2-CZ 4.26Å; Y56-F87 HydrophobicContact CE2-CE1 4.02Å; Y56-F87 HydrophobicContact CE2-CZ 4.24Å; Y56-F142 HydrophobicContact CD1-CB 3.84Å; Y56-F142 HydrophobicContact CE1-CB 3.85Å |
| 57 | S | 94.6 | Very high | 87 | Confident | 35 Ų | 35 | 66.6 Ų | 66.6 | 25% | 0.245 | 32% | 0.322 | C | S | . | . | trans | -76.1 | 159.4 | 167.2 | 62.1 | 0 | 0 | 0 | 0 | 110.6 | I59 A60 L61 | S57-I59 PolarHBondContact O-N 2.77Å; S57-A60 PolarHBondContact O-N 3.21Å; S57-A60 VanDerWaalsContact O-N 3.15Å; S57-A60 WeakPolarHBondContact OG-CB 3.37Å; S57-A60 PolarHBondContact OG-N 3.05Å; S57-A60 VanDerWaalsContact OG-N 3.07Å; S57-L61 WeakPolarHBondContact O-CB 3.26Å; S57-L61 VanDerWaalsContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.36Å; S57-L61 PolarHBondContact O-N 3.12Å | ||
| 58 | Y | 96.7 | Very high | 89.1 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 18% | 0.184 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.3 | -33.1 | 171.1 | -72.8 | -64.3 | 0 | 0 | 0 | 112.2 | L61 I62 F90 W97 S100 V101 | Y58-L61 HydrophobicContact CD1-CD1 4.1Å; Y58-L61 PolarHBondContact O-N 3.22Å; Y58-I62 WeakPolarHBondContact O-CB 3.5Å; Y58-I62 WeakPolarHBondContact O-CD1 3.48Å; Y58-I62 WeakPolarHBondContact O-CG1 3.3Å; Y58-I62 PolarHBondContact O-N 3.29Å; Y58-F90 HydrophobicContact CE1-CE1 4.35Å; Y58-W97 HydrophobicContact CE1-CB 4.43Å; Y58-S100 PolarHBondContact OH-OG 3.23Å; Y58-V101 HydrophobicContact CD1-CG2 4.18Å |
| 59 | I | 95.9 | Very high | 90.8 | Very high | 36 Ų | 36 | 60.9 Ų | 60.9 | 19% | 0.185 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.1 | -56.6 | 171.6 | -53.6 | 172 | 0 | 0 | 0 | 110.2 | S57 L61 I62 V63 N108 F111 F137 | S57-I59 PolarHBondContact O-N 2.77Å; I59-L61 VanDerWaalsContact C-N 3.28Å; I59-L61 PolarHBondContact O-N 3.5Å; I59-I62 PolarHBondContact O-N 3.42Å; I59-I62 VanDerWaalsContact O-N 3.15Å; I59-V63 HydrophobicContact CG2-CG2 4.42Å; I59-V63 WeakPolarHBondContact O-CG2 3.16Å; I59-V63 PolarHBondContact O-N 2.77Å; I59-N108 VanDerWaalsContact CD1-OD1 3.26Å; I59-N108 WeakPolarHBondContact CD1-OD1 3.2Å; I59-F111 HydrophobicContact CB-CE2 4.38Å; I59-F111 HydrophobicContact CB-CZ 4.36Å; I59-F111 HydrophobicContact CG1-CE2 4.47Å; I59-F111 HydrophobicContact CG2-CE2 3.98Å; I59-F111 HydrophobicContact CG2-CZ 3.76Å; I59-F137 HydrophobicContact CG2-CE1 4.05Å; I59-F137 HydrophobicContact CG2-CZ 3.78Å |
| 60 | A | 95.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.1 | -35.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S57 V63 M64 F142 | S57-A60 PolarHBondContact O-N 3.21Å; S57-A60 VanDerWaalsContact O-N 3.15Å; S57-A60 WeakPolarHBondContact OG-CB 3.37Å; S57-A60 PolarHBondContact OG-N 3.05Å; S57-A60 VanDerWaalsContact OG-N 3.07Å; A60-V63 PolarHBondContact O-N 3.44Å; A60-M64 WeakPolarHBondContact O-CB 3.4Å; A60-M64 WeakPolarHBondContact O-CE 3.13Å; A60-M64 WeakPolarHBondContact O-CG 3.27Å; A60-M64 PolarHBondContact O-N 3.13Å; A60-F142 HydrophobicContact CB-CB 4.18Å; A60-F142 HydrophobicContact CB-CD1 4.3Å; A60-F142 WeakPolarHBondContact CB-O 3.49Å |
| 61 | L | 96.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 175 | -72.9 | 169.2 | 0 | 0 | 0 | 112.8 | Y56 S57 Y58 I59 M64 A65 L83 F87 F90 | Y56-L61 HydrophobicContact CD2-CD2 4.18Å; Y56-L61 HydrophobicContact CG-CD2 4.47Å; S57-L61 WeakPolarHBondContact O-CB 3.26Å; S57-L61 VanDerWaalsContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.36Å; S57-L61 PolarHBondContact O-N 3.12Å; Y58-L61 HydrophobicContact CD1-CD1 4.1Å; Y58-L61 PolarHBondContact O-N 3.22Å; I59-L61 VanDerWaalsContact C-N 3.28Å; I59-L61 PolarHBondContact O-N 3.5Å; L61-M64 HydrophobicContact CD2-CE 3.99Å; L61-A65 PolarHBondContact O-N 2.84Å; L61-L83 HydrophobicContact CB-CD2 3.82Å; L61-L83 HydrophobicContact CD2-CD2 4.02Å; L61-L83 HydrophobicContact CG-CD2 4.42Å; L61-F87 HydrophobicContact CD2-CD2 4.02Å; L61-F87 HydrophobicContact CD2-CE2 3.48Å; L61-F87 VanDerWaalsContact CD2-CE2 3.48Å; L61-F87 HydrophobicContact CD2-CZ 3.83Å; L61-F90 HydrophobicContact CD1-CE2 4.22Å; L61-F90 HydrophobicContact CD1-CZ 3.75Å; L61-F90 HydrophobicContact CD2-CE2 4.37Å |
| 62 | I | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.4 | -43.3 | 175.6 | -67 | 159.7 | 0 | 0 | 0 | 110.5 | Y58 I59 M64 A65 I66 I79 V101 N104 L105 F111 | Y58-I62 WeakPolarHBondContact O-CB 3.5Å; Y58-I62 WeakPolarHBondContact O-CD1 3.48Å; Y58-I62 WeakPolarHBondContact O-CG1 3.3Å; Y58-I62 PolarHBondContact O-N 3.29Å; I59-I62 PolarHBondContact O-N 3.42Å; I59-I62 VanDerWaalsContact O-N 3.15Å; I62-M64 PolarHBondContact O-N 2.57Å; I62-A65 WeakPolarHBondContact O-CB 3.41Å; I62-A65 PolarHBondContact O-N 3.01Å; I62-A65 VanDerWaalsContact O-N 3.15Å; I62-I66 HydrophobicContact CG2-CD1 3.75Å; I62-I66 HydrophobicContact CG2-CG1 4.36Å; I62-I66 WeakPolarHBondContact O-CG1 3.13Å; I62-I66 PolarHBondContact O-N 2.84Å; I62-I79 HydrophobicContact CG1-CG2 4.27Å; I62-I79 HydrophobicContact CG2-CD1 4.33Å; I62-V101 HydrophobicContact CD1-CG1 4.26Å; I62-V101 HydrophobicContact CG1-CG1 4.3Å; I62-N104 HydrophobicContact CD1-CB 3.94Å; I62-L105 HydrophobicContact CD1-CD2 4.15Å; I62-L105 HydrophobicContact CD1-CG 4.03Å; I62-L105 HydrophobicContact CG2-CD2 3.71Å; I62-F111 HydrophobicContact CB-CE1 3.99Å; I62-F111 HydrophobicContact CB-CE2 4.27Å; I62-F111 HydrophobicContact CB-CZ 3.64Å; I62-F111 HydrophobicContact CD1-CE2 4.04Å; I62-F111 HydrophobicContact CD1-CZ 4.28Å; I62-F111 HydrophobicContact CG2-CD1 3.88Å; I62-F111 HydrophobicContact CG2-CE1 3.38Å; I62-F111 HydrophobicContact CG2-CE2 4.14Å; I62-F111 HydrophobicContact CG2-CG 4.45Å; I62-F111 HydrophobicContact CG2-CZ 3.52Å |
| 63 | V | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.4 | -50 | 176.6 | 168.2 | 0 | 0 | 0 | 0 | 111 | I59 A60 A65 I66 Q67 F111 I129 F137 F142 | I59-V63 HydrophobicContact CG2-CG2 4.42Å; I59-V63 WeakPolarHBondContact O-CG2 3.16Å; I59-V63 PolarHBondContact O-N 2.77Å; A60-V63 PolarHBondContact O-N 3.44Å; V63-A65 PolarHBondContact O-N 2.9Å; V63-I66 PolarHBondContact O-N 3.04Å; V63-I66 VanDerWaalsContact O-N 3.16Å; V63-Q67 HydrophobicContact CG1-CG 4.05Å; V63-Q67 WeakPolarHBondContact O-CB 3.34Å; V63-Q67 WeakPolarHBondContact O-CG 3.35Å; V63-Q67 PolarHBondContact O-N 3.39Å; V63-F111 HydrophobicContact CG2-CE1 3.77Å; V63-F111 HydrophobicContact CG2-CZ 3.95Å; V63-I129 HydrophobicContact CB-CD1 4.35Å; V63-I129 HydrophobicContact CG1-CD1 3.87Å; V63-I129 HydrophobicContact CG2-CD1 4.31Å; V63-I129 HydrophobicContact CG2-CG1 4.29Å; V63-F137 HydrophobicContact CB-CD1 4.4Å; V63-F137 HydrophobicContact CB-CG 4.41Å; V63-F137 HydrophobicContact CG1-CB 3.68Å; V63-F137 HydrophobicContact CG1-CD1 4.06Å; V63-F137 HydrophobicContact CG1-CD2 4.15Å; V63-F137 HydrophobicContact CG1-CG 3.7Å; V63-F137 HydrophobicContact CG2-CD1 4.05Å; V63-F137 HydrophobicContact CG2-CD2 3.98Å; V63-F137 HydrophobicContact CG2-CE1 3.99Å; V63-F137 HydrophobicContact CG2-CE2 3.92Å; V63-F137 HydrophobicContact CG2-CG 4.05Å; V63-F137 HydrophobicContact CG2-CZ 3.92Å; V63-F142 HydrophobicContact CG1-CE1 3.98Å |
| 64 | M | 96.1 | Very high | 95.5 | Very high | 33 Ų | 33 | 43.3 Ų | 43.3 | 16% | 0.163 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.3 | -36.1 | 177 | -75.5 | -175 | -72.9 | 0 | 0 | 112.4 | Y56 A60 L61 I62 S68 F82 F87 F142 | Y56-M64 HydrophobicContact CD1-CE 4.06Å; Y56-M64 HydrophobicContact CD2-CE 3.86Å; Y56-M64 HydrophobicContact CE1-CE 4.37Å; Y56-M64 HydrophobicContact CE2-CE 4.19Å; Y56-M64 HydrophobicContact CG-CE 3.8Å; A60-M64 WeakPolarHBondContact O-CB 3.4Å; A60-M64 WeakPolarHBondContact O-CE 3.13Å; A60-M64 WeakPolarHBondContact O-CG 3.27Å; A60-M64 PolarHBondContact O-N 3.13Å; L61-M64 HydrophobicContact CD2-CE 3.99Å; I62-M64 PolarHBondContact O-N 2.57Å; M64-S68 WeakPolarHBondContact O-CB 3.23Å; M64-S68 PolarHBondContact O-N 3.49Å; M64-S68 PolarHBondContact O-OG 2.84Å; M64-F82 HydrophobicContact CB-CE1 4.27Å; M64-F82 HydrophobicContact CB-CZ 4.38Å; M64-F87 HydrophobicContact CE-CZ 4.09Å; M64-F142 HydrophobicContact CG-CD1 3.81Å; M64-F142 HydrophobicContact CG-CE1 3.73Å; M64-F142 HydrophobicContact CG-CG 4.3Å; M64-F142 HydrophobicContact CG-CZ 4.14Å; M64-F142 HydrophobicContact SD-CD1 4.39Å; M64-F142 HydrophobicContact SD-CG 4.31Å |
| 65 | A | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.3 | -52.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L61 I62 V63 S68 S69 L74 I79 F82 | L61-A65 PolarHBondContact O-N 2.84Å; I62-A65 WeakPolarHBondContact O-CB 3.41Å; I62-A65 PolarHBondContact O-N 3.01Å; I62-A65 VanDerWaalsContact O-N 3.15Å; V63-A65 PolarHBondContact O-N 2.9Å; A65-S68 PolarHBondContact O-N 3.36Å; A65-S68 PolarHBondContact O-OG 3.26Å; A65-S69 PolarHBondContact O-N 3.43Å; A65-L74 HydrophobicContact CB-CD1 3.94Å; A65-L74 WeakPolarHBondContact O-CD1 3.46Å; A65-I79 HydrophobicContact CB-CG1 4.48Å; A65-F82 HydrophobicContact CB-CB 4.04Å; A65-F82 HydrophobicContact CB-CD1 3.33Å; A65-F82 HydrophobicContact CB-CD2 4.44Å; A65-F82 HydrophobicContact CB-CE1 3.83Å; A65-F82 HydrophobicContact CB-CG 3.68Å |
| 66 | I | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -46 | -177.8 | -66 | 173.5 | 0 | 0 | 0 | 111.1 | I62 V63 S68 S69 K72 F111 W127 I129 | I62-I66 HydrophobicContact CG2-CD1 3.75Å; I62-I66 HydrophobicContact CG2-CG1 4.36Å; I62-I66 WeakPolarHBondContact O-CG1 3.13Å; I62-I66 PolarHBondContact O-N 2.84Å; V63-I66 PolarHBondContact O-N 3.04Å; V63-I66 VanDerWaalsContact O-N 3.16Å; I66-S68 VanDerWaalsContact C-N 3.26Å; I66-S68 PolarHBondContact O-N 3.48Å; I66-S69 WeakPolarHBondContact O-CB 3.42Å; I66-S69 PolarHBondContact O-N 3.45Å; I66-S69 VanDerWaalsContact O-N 3.08Å; I66-S69 PolarHBondContact O-OG 2.73Å; I66-K72 WeakPolarHBondContact CG2-O 3.42Å; I66-F111 HydrophobicContact CD1-CD1 4.08Å; I66-F111 HydrophobicContact CD1-CE1 4.27Å; I66-W127 HydrophobicContact CD1-CB 4.48Å; I66-I129 HydrophobicContact CB-CD1 4.18Å; I66-I129 HydrophobicContact CB-CG1 4.29Å; I66-I129 HydrophobicContact CD1-CG1 4.31Å; I66-I129 HydrophobicContact CG2-CD1 3.96Å; I66-I129 HydrophobicContact CG2-CG1 3.99Å |
| 67 | Q | 95.3 | Very high | 96.4 | Very high | 43 Ų | 43 | 40.2 Ų | 40.2 | 20% | 0.201 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -30.5 | 178.6 | -75.7 | 179.5 | -30.8 | 0 | 0 | 113.3 | V63 S69 K72 I129 | V63-Q67 HydrophobicContact CG1-CG 4.05Å; V63-Q67 WeakPolarHBondContact O-CB 3.34Å; V63-Q67 WeakPolarHBondContact O-CG 3.35Å; V63-Q67 PolarHBondContact O-N 3.39Å; Q67-S69 VanDerWaalsContact C-N 3.3Å; Q67-K72 PolarHBondContact O-NZ 3.31Å; Q67-I129 HydrophobicContact CG-CD1 3.74Å |
| 68 | S | 95.6 | Very high | 96.6 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 49% | 0.49 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -73.7 | -17.9 | 176.4 | 77.4 | 0 | 0 | 0 | 0 | 114 | M64 A65 I66 F82 | M64-S68 WeakPolarHBondContact O-CB 3.23Å; M64-S68 PolarHBondContact O-N 3.49Å; M64-S68 PolarHBondContact O-OG 2.84Å; A65-S68 PolarHBondContact O-N 3.36Å; A65-S68 PolarHBondContact O-OG 3.26Å; I66-S68 VanDerWaalsContact C-N 3.26Å; I66-S68 PolarHBondContact O-N 3.48Å; S68-F82 WeakPolarHBondContact OG-CD2 3.46Å; S68-F82 WeakPolarHBondContact OG-CE2 3.42Å |
| 69 | S | 96.2 | Very high | 96.6 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 6% | 0.056 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -79.1 | 134.7 | 175.5 | 74.2 | 0 | 0 | 0 | 0 | 110.6 | A65 I66 Q67 T71 K72 R73 | A65-S69 PolarHBondContact O-N 3.43Å; I66-S69 WeakPolarHBondContact O-CB 3.42Å; I66-S69 PolarHBondContact O-N 3.45Å; I66-S69 VanDerWaalsContact O-N 3.08Å; I66-S69 PolarHBondContact O-OG 2.73Å; Q67-S69 VanDerWaalsContact C-N 3.3Å; S69-T71 PolarHBondContact O-N 3.16Å; S69-K72 PolarHBondContact O-N 3.15Å; S69-K72 WeakPolarHBondContact OG-CA 3.5Å; S69-K72 PolarHBondContact OG-N 2.69Å; S69-R73 PolarHBondContact OG-N 3.5Å; S69-R73 PolarHBondContact OG-O 2.96Å |
| 70 | P | 96.2 | Very high | 96.7 | Very high | 133 Ų | 133 | 39.6 Ų | 39.6 | 86% | 0.864 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -25.8 | 178.2 | 26.6 | -34.4 | 0 | 0 | 0 | 111.9 | K72 | P70-K72 VanDerWaalsContact C-N 3.31Š|
| 71 | T | 95.8 | Very high | 96.8 | Very high | 81 Ų | 81 | 44.9 Ų | 44.9 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 1.5 | 176 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | S69 R73 | S69-T71 PolarHBondContact O-N 3.16Å; T71-R73 WeakPolarHBondContact O-CG 3.11Å; T71-R73 PolarHBondContact O-N 2.96Å; T71-R73 PolarHBondContact OG1-O 3.26Å |
| 72 | K | 96.6 | Very high | 96.9 | Very high | 99 Ų | 99 | 46.5 Ų | 46.5 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 47.4 | 28.2 | -175.3 | -60.4 | -65.5 | -176.8 | 178.2 | 0 | 114.6 | I66 Q67 S69 P70 T128 | I66-K72 WeakPolarHBondContact CG2-O 3.42Å; Q67-K72 PolarHBondContact O-NZ 3.31Å; S69-K72 PolarHBondContact O-N 3.15Å; S69-K72 WeakPolarHBondContact OG-CA 3.5Å; S69-K72 PolarHBondContact OG-N 2.69Å; P70-K72 VanDerWaalsContact C-N 3.31Å; K72-T128 PolarHBondContact O-OG1 3.26Å |
| 73 | R | 96.4 | Very high | 96.9 | Very high | 107 Ų | 107 | 46.5 Ų | 46.5 | 40% | 0.404 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 140.5 | -179.3 | 72.3 | -166.1 | 175.9 | -172.3 | -5.8 | 110.1 | S69 T71 Y126 W127 | S69-R73 PolarHBondContact OG-N 3.5Å; S69-R73 PolarHBondContact OG-O 2.96Å; T71-R73 WeakPolarHBondContact O-CG 3.11Å; T71-R73 PolarHBondContact O-N 2.96Å; T71-R73 PolarHBondContact OG1-O 3.26Å; R73-Y126 HydrophobicContact CG-CD1 4.19Å; R73-Y126 HydrophobicContact CG-CG 4.35Å; R73-W127 CarbonylContact C-O 3.57Å; R73-W127 VanDerWaalsContact CA-O 3.23Å; R73-W127 WeakPolarHBondContact CA-O 3.37Å |
| 74 | L | 97.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 151.4 | 179.8 | -71.4 | -176.6 | 0 | 0 | 0 | 111.3 | A65 E78 I79 W127 | A65-L74 HydrophobicContact CB-CD1 3.94Å; A65-L74 WeakPolarHBondContact O-CD1 3.46Å; L74-E78 HydrophobicContact CB-CB 4.21Å; L74-E78 HydrophobicContact CD1-CB 4.37Å; L74-E78 HydrophobicContact CD2-CB 3.84Å; L74-E78 HydrophobicContact CD2-CG 4.48Å; L74-E78 HydrophobicContact CG-CB 4.38Å; L74-I79 HydrophobicContact CB-CD1 4.4Å; L74-I79 HydrophobicContact CB-CG1 3.86Å; L74-I79 HydrophobicContact CD1-CG1 4.13Å; L74-W127 PolarHBondContact N-O 2.98Å; L74-W127 PolarHBondContact O-N 3.21Å |
| 75 | T | 97.2 | Very high | 96.9 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 10% | 0.104 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 162.7 | 164.6 | 71.3 | 0 | 0 | 0 | 0 | 111.1 | S77 E78 I79 H125 Y126 | T75-S77 PolarHBondContact O-N 2.85Å; T75-S77 VanDerWaalsContact O-N 3.12Å; T75-S77 PolarHBondContact OG1-N 3.3Å; T75-E78 WeakPolarHBondContact CA-OE2 3.38Å; T75-E78 WeakPolarHBondContact CB-OE2 3.41Å; T75-E78 VanDerWaalsContact CG2-OE2 3.27Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.46Å; T75-E78 PolarHBondContact N-OE2 2.82Å; T75-E78 PolarHBondContact O-N 2.82Å; T75-E78 VanDerWaalsContact O-N 3.12Å; T75-E78 PolarHBondContact OG1-N 3.17Å; T75-E78 PolarHBondContact OG1-OE2 2.83Å; T75-I79 WeakPolarHBondContact O-CG1 3.3Å; T75-I79 PolarHBondContact O-N 3.15Å; T75-H125 WeakPolarHBondContact CA-O 3.3Å; T75-Y126 HydrophobicContact CG2-CD1 3.73Å; T75-Y126 HydrophobicContact CG2-CE1 3.73Å |
| 76 | L | 97.4 | Very high | 96.8 | Very high | 48 Ų | 48 | 60 Ų | 60 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.5 | -31 | 173.3 | -178.3 | 63.5 | 0 | 0 | 0 | 113.4 | Y80 V101 R102 L105 | L76-Y80 HydrophobicContact CD1-CD1 4.38Å; L76-Y80 HydrophobicContact CD1-CE1 3.62Å; L76-Y80 HydrophobicContact CD1-CE2 4.38Å; L76-Y80 HydrophobicContact CD2-CE2 4.43Å; L76-Y80 HydrophobicContact CG-CE1 4.1Å; L76-Y80 HydrophobicContact CG-CE2 3.94Å; L76-Y80 WeakPolarHBondContact O-CD2 3.44Å; L76-Y80 VanDerWaalsContact O-CG 3.25Å; L76-Y80 PolarHBondContact O-N 3.02Å; L76-V101 HydrophobicContact CD1-CG1 4.1Å; L76-R102 HydrophobicContact CD1-CG 3.97Å; L76-R102 HydrophobicContact CD2-CG 3.84Å; L76-L105 HydrophobicContact CD1-CD1 3.7Å |
| 77 | S | 97.1 | Very high | 96.7 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.5 | -43.4 | 178.6 | -168.2 | 0 | 0 | 0 | 0 | 111.9 | T75 Y80 Q81 | T75-S77 PolarHBondContact O-N 2.85Å; T75-S77 VanDerWaalsContact O-N 3.12Å; T75-S77 PolarHBondContact OG1-N 3.3Å; S77-Y80 WeakPolarHBondContact O-CB 3.45Å; S77-Y80 PolarHBondContact O-N 2.87Å; S77-Q81 WeakPolarHBondContact O-CG 3.48Å; S77-Q81 PolarHBondContact O-N 3.49Å; S77-Q81 PolarHBondContact O-NE2 2.79Å; S77-Q81 PolarHBondContact OG-NE2 3.29Å |
| 78 | E | 97.3 | Very high | 96.7 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 35% | 0.346 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.8 | -36.2 | 179.5 | -67.5 | 148.3 | 130.9 | 0 | 0 | 111.1 | L74 T75 Y80 Q81 F82 | L74-E78 HydrophobicContact CB-CB 4.21Å; L74-E78 HydrophobicContact CD1-CB 4.37Å; L74-E78 HydrophobicContact CD2-CB 3.84Å; L74-E78 HydrophobicContact CD2-CG 4.48Å; L74-E78 HydrophobicContact CG-CB 4.38Å; T75-E78 WeakPolarHBondContact CA-OE2 3.38Å; T75-E78 WeakPolarHBondContact CB-OE2 3.41Å; T75-E78 VanDerWaalsContact CG2-OE2 3.27Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.46Å; T75-E78 PolarHBondContact N-OE2 2.82Å; T75-E78 PolarHBondContact O-N 2.82Å; T75-E78 VanDerWaalsContact O-N 3.12Å; T75-E78 PolarHBondContact OG1-N 3.17Å; T75-E78 PolarHBondContact OG1-OE2 2.83Å; E78-Y80 VanDerWaalsContact C-N 3.34Å; E78-Y80 PolarHBondContact O-N 3.1Å; E78-Q81 PolarHBondContact O-N 3.04Å; E78-Q81 VanDerWaalsContact O-N 3.13Å; E78-F82 WeakPolarHBondContact O-CB 3.15Å; E78-F82 PolarHBondContact O-N 3.49Å |
| 79 | I | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59 | -44.8 | 171.4 | -64.6 | 165.8 | 0 | 0 | 0 | 110.6 | I62 A65 L74 T75 Q81 L83 V101 L105 W127 | I62-I79 HydrophobicContact CG1-CG2 4.27Å; I62-I79 HydrophobicContact CG2-CD1 4.33Å; A65-I79 HydrophobicContact CB-CG1 4.48Å; L74-I79 HydrophobicContact CB-CD1 4.4Å; L74-I79 HydrophobicContact CB-CG1 3.86Å; L74-I79 HydrophobicContact CD1-CG1 4.13Å; T75-I79 WeakPolarHBondContact O-CG1 3.3Å; T75-I79 PolarHBondContact O-N 3.15Å; I79-Q81 VanDerWaalsContact C-N 3.32Å; I79-Q81 PolarHBondContact O-N 3.17Å; I79-L83 HydrophobicContact CG2-CD1 4.2Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.37Å; I79-L83 PolarHBondContact O-N 3.15Å; I79-L83 VanDerWaalsContact O-N 3.12Å; I79-V101 HydrophobicContact CG2-CG1 3.97Å; I79-L105 HydrophobicContact CD1-CD1 4.24Å; I79-L105 HydrophobicContact CD1-CD2 4.28Å; I79-W127 HydrophobicContact CD1-CB 4.5Å |
| 80 | Y | 97.8 | Very high | 96.5 | Very high | 31 Ų | 31 | 61.9 Ų | 61.9 | 12% | 0.122 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.8 | -40 | 174.7 | -62.6 | -25.2 | 0 | 0 | 0 | 112.2 | L76 S77 E78 Q84 W97 K98 V101 R102 | L76-Y80 HydrophobicContact CD1-CD1 4.38Å; L76-Y80 HydrophobicContact CD1-CE1 3.62Å; L76-Y80 HydrophobicContact CD1-CE2 4.38Å; L76-Y80 HydrophobicContact CD2-CE2 4.43Å; L76-Y80 HydrophobicContact CG-CE1 4.1Å; L76-Y80 HydrophobicContact CG-CE2 3.94Å; L76-Y80 WeakPolarHBondContact O-CD2 3.44Å; L76-Y80 VanDerWaalsContact O-CG 3.25Å; L76-Y80 PolarHBondContact O-N 3.02Å; S77-Y80 WeakPolarHBondContact O-CB 3.45Å; S77-Y80 PolarHBondContact O-N 2.87Å; E78-Y80 VanDerWaalsContact C-N 3.34Å; E78-Y80 PolarHBondContact O-N 3.1Å; Y80-Q84 WeakPolarHBondContact O-CG 3.34Å; Y80-Q84 PolarHBondContact O-N 3.23Å; Y80-Q84 VanDerWaalsContact O-N 3.15Å; Y80-Q84 PolarHBondContact O-NE2 3.13Å; Y80-W97 HydrophobicContact CD1-CH2 4.23Å; Y80-W97 AromaticContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CE1-CZ3 4.49Å; Y80-W97 HydrophobicContact CG-CH2 4.37Å; Y80-W97 HydrophobicContact CG-CZ3 4.35Å; Y80-K98 HydrophobicContact CD1-CB 4.45Å; Y80-K98 HydrophobicContact CD1-CD 4.38Å; Y80-K98 HydrophobicContact CD1-CG 3.89Å; Y80-K98 HydrophobicContact CD2-CD 4.05Å; Y80-K98 HydrophobicContact CD2-CG 4.43Å; Y80-K98 HydrophobicContact CE1-CB 3.74Å; Y80-K98 HydrophobicContact CE1-CD 4.27Å; Y80-K98 HydrophobicContact CE1-CG 3.67Å; Y80-K98 HydrophobicContact CE2-CD 3.95Å; Y80-K98 HydrophobicContact CE2-CG 4.26Å; Y80-K98 HydrophobicContact CG-CD 4.26Å; Y80-K98 HydrophobicContact CG-CG 4.26Å; Y80-V101 HydrophobicContact CD1-CG1 4.35Å; Y80-V101 HydrophobicContact CE1-CB 4.21Å; Y80-V101 HydrophobicContact CE1-CG1 4Å; Y80-R102 PolarHBondContact OH-NH1 3.12Å; Y80-R102 VanDerWaalsContact OH-NH1 3.16Å |
| 81 | Q | 97.9 | Very high | 96.4 | Very high | 111 Ų | 111 | 62.8 Ų | 62.8 | 52% | 0.519 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.1 | -45.3 | -179.7 | -71.6 | 169.2 | 66.9 | 0 | 0 | 111.8 | S77 E78 I79 L83 Q84 S85 | S77-Q81 WeakPolarHBondContact O-CG 3.48Å; S77-Q81 PolarHBondContact O-N 3.49Å; S77-Q81 PolarHBondContact O-NE2 2.79Å; S77-Q81 PolarHBondContact OG-NE2 3.29Å; E78-Q81 PolarHBondContact O-N 3.04Å; E78-Q81 VanDerWaalsContact O-N 3.13Å; I79-Q81 VanDerWaalsContact C-N 3.32Å; I79-Q81 PolarHBondContact O-N 3.17Å; Q81-L83 VanDerWaalsContact C-N 3.35Å; Q81-L83 PolarHBondContact O-N 3.12Å; Q81-Q84 PolarHBondContact O-N 3.06Å; Q81-S85 PolarHBondContact O-N 2.83Å; Q81-S85 PolarHBondContact O-OG 3.48Å |
| 82 | F | 97.9 | Very high | 96.2 | Very high | 40 Ų | 40 | 60.8 Ų | 60.8 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 175 | 176.3 | -88.5 | 0 | 0 | 0 | 112.3 | M64 A65 S68 E78 Q84 S85 R86 | M64-F82 HydrophobicContact CB-CE1 4.27Å; M64-F82 HydrophobicContact CB-CZ 4.38Å; A65-F82 HydrophobicContact CB-CB 4.04Å; A65-F82 HydrophobicContact CB-CD1 3.33Å; A65-F82 HydrophobicContact CB-CD2 4.44Å; A65-F82 HydrophobicContact CB-CE1 3.83Å; A65-F82 HydrophobicContact CB-CG 3.68Å; S68-F82 WeakPolarHBondContact OG-CD2 3.46Å; S68-F82 WeakPolarHBondContact OG-CE2 3.42Å; E78-F82 WeakPolarHBondContact O-CB 3.15Å; E78-F82 PolarHBondContact O-N 3.49Å; F82-Q84 PolarHBondContact O-N 2.96Å; F82-S85 PolarHBondContact O-N 2.95Å; F82-S85 PolarHBondContact O-OG 2.88Å; F82-S85 VanDerWaalsContact O-OG 3.04Å; F82-R86 HydrophobicContact CE1-CB 4.34Å; F82-R86 HydrophobicContact CZ-CB 4.41Å; F82-R86 HydrophobicContact CZ-CG 4.4Å; F82-R86 VanDerWaalsContact O-CB 3.3Å; F82-R86 WeakPolarHBondContact O-CB 3.45Å; F82-R86 PolarHBondContact O-N 3.04Å |
| 83 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 179.2 | -68.2 | 178.2 | 0 | 0 | 0 | 111.8 | L61 I79 Q81 F87 F90 W97 V101 | L61-L83 HydrophobicContact CB-CD2 3.82Å; L61-L83 HydrophobicContact CD2-CD2 4.02Å; L61-L83 HydrophobicContact CG-CD2 4.42Å; I79-L83 HydrophobicContact CG2-CD1 4.2Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.37Å; I79-L83 PolarHBondContact O-N 3.15Å; I79-L83 VanDerWaalsContact O-N 3.12Å; Q81-L83 VanDerWaalsContact C-N 3.35Å; Q81-L83 PolarHBondContact O-N 3.12Å; L83-F87 HydrophobicContact CD2-CD2 4.21Å; L83-F87 HydrophobicContact CD2-CE2 4.2Å; L83-F87 PolarHBondContact O-N 2.77Å; L83-F90 HydrophobicContact CB-CB 4.46Å; L83-F90 HydrophobicContact CB-CD2 3.72Å; L83-F90 HydrophobicContact CB-CE2 4.21Å; L83-F90 HydrophobicContact CB-CG 4.14Å; L83-F90 HydrophobicContact CD2-CE2 4.23Å; L83-F90 WeakPolarHBondContact O-CD2 3.41Å; L83-W97 HydrophobicContact CB-CZ3 4.47Å; L83-W97 HydrophobicContact CD1-CZ3 4.25Å; L83-V101 HydrophobicContact CD1-CG2 3.96Å |
| 84 | Q | 96.7 | Very high | 95.8 | Very high | 59 Ų | 59 | 64.7 Ų | 64.7 | 28% | 0.276 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 174.7 | -74.8 | 167 | 106.3 | 0 | 0 | 112.4 | Y80 Q81 F82 F90 R91 W97 | Y80-Q84 WeakPolarHBondContact O-CG 3.34Å; Y80-Q84 PolarHBondContact O-N 3.23Å; Y80-Q84 VanDerWaalsContact O-N 3.15Å; Y80-Q84 PolarHBondContact O-NE2 3.13Å; Q81-Q84 PolarHBondContact O-N 3.06Å; F82-Q84 PolarHBondContact O-N 2.96Å; Q84-F90 HydrophobicContact CG-CB 4.09Å; Q84-F90 WeakPolarHBondContact CG-O 3.47Å; Q84-R91 HydrophobicContact CB-CG 4.38Å; Q84-R91 VanDerWaalsContact O-CG 3.26Å; Q84-R91 WeakPolarHBondContact O-CG 3.33Å; Q84-R91 PolarHBondContact O-NE 2.72Å; Q84-W97 HydrophobicContact CG-CH2 4.03Å; Q84-W97 HydrophobicContact CG-CZ2 4.02Å |
| 85 | S | 96.8 | Very high | 95.7 | Very high | 77 Ų | 77 | 67.6 Ų | 67.6 | 54% | 0.538 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.3 | -47.4 | 178.3 | 68.1 | 0 | 0 | 0 | 0 | 111.2 | Q81 F82 R91 | Q81-S85 PolarHBondContact O-N 2.83Å; Q81-S85 PolarHBondContact O-OG 3.48Å; F82-S85 PolarHBondContact O-N 2.95Å; F82-S85 PolarHBondContact O-OG 2.88Å; F82-S85 VanDerWaalsContact O-OG 3.04Å; S85-R91 PolarHBondContact O-NH2 2.81Å |
| 86 | R | 95.3 | Very high | 95.6 | Very high | 179 Ų | 179 | 68 Ų | 68 | 68% | 0.675 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -77.2 | -34.2 | -174.2 | -167.6 | 60.2 | 171.4 | -179.5 | -0.9 | 114.7 | F82 | F82-R86 HydrophobicContact CE1-CB 4.34Å; F82-R86 HydrophobicContact CZ-CB 4.41Å; F82-R86 HydrophobicContact CZ-CG 4.4Å; F82-R86 VanDerWaalsContact O-CB 3.3Å; F82-R86 WeakPolarHBondContact O-CB 3.45Å; F82-R86 PolarHBondContact O-N 3.04Å |
| 87 | F | 94.8 | Very high | 95.6 | Very high | 29 Ų | 29 | 65.9 Ų | 65.9 | 13% | 0.127 | 34% | 0.337 | C | S | . | . | trans | -128.4 | 116.5 | -176 | -50.7 | -81.4 | 0 | 0 | 0 | 112.2 | P54 Y56 L61 M64 L83 F89 F90 | P54-F87 HydrophobicContact CB-CD1 3.93Å; P54-F87 HydrophobicContact CB-CE1 4.1Å; P54-F87 HydrophobicContact CB-CG 4.46Å; P54-F87 HydrophobicContact CG-CB 3.82Å; P54-F87 HydrophobicContact CG-CD1 3.53Å; P54-F87 HydrophobicContact CG-CE1 4.19Å; P54-F87 HydrophobicContact CG-CG 3.71Å; Y56-F87 HydrophobicContact CD2-CE1 4.26Å; Y56-F87 HydrophobicContact CD2-CZ 4.26Å; Y56-F87 HydrophobicContact CE2-CE1 4.02Å; Y56-F87 HydrophobicContact CE2-CZ 4.24Å; L61-F87 HydrophobicContact CD2-CD2 4.02Å; L61-F87 HydrophobicContact CD2-CE2 3.48Å; L61-F87 VanDerWaalsContact CD2-CE2 3.48Å; L61-F87 HydrophobicContact CD2-CZ 3.83Å; M64-F87 HydrophobicContact CE-CZ 4.09Å; L83-F87 HydrophobicContact CD2-CD2 4.21Å; L83-F87 HydrophobicContact CD2-CE2 4.2Å; L83-F87 PolarHBondContact O-N 2.77Å; F87-F89 PolarHBondContact O-N 3.37Å; F87-F90 HydrophobicContact CB-CD2 3.85Å; F87-F90 HydrophobicContact CB-CE2 4.06Å; F87-F90 HydrophobicContact CD2-CD2 4.29Å; F87-F90 HydrophobicContact CD2-CE2 4.05Å; F87-F90 HydrophobicContact CG-CD2 4.49Å; F87-F90 HydrophobicContact CG-CE2 4.33Å; F87-F90 PolarHBondContact O-N 3.09Å | ||
| 88 | P | 94.1 | Very high | 95.6 | Very high | 69 Ų | 69 | 64.9 Ų | 64.9 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -54.9 | -27 | 179.3 | -29.8 | 37 | 0 | 0 | 0 | 115.3 | P51 F90 R91 | P51-P88 HydrophobicContact CB-CB 3.86Å; P51-P88 HydrophobicContact CG-CB 4.38Å; P88-F90 PolarHBondContact O-N 3.14Å; P88-R91 WeakPolarHBondContact O-CB 3.43Å; P88-R91 PolarHBondContact O-N 3.32Å; P88-R91 VanDerWaalsContact O-N 3.1Å |
| 89 | F | 93.7 | Very high | 95.6 | Very high | 61 Ų | 61 | 66 Ų | 66 | 27% | 0.268 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -51.7 | -35.2 | 176.2 | 176.9 | -103.6 | 0 | 0 | 0 | 114.1 | P51 K53 F87 | P51-F89 WeakPolarHBondContact O-CD2 3.37Å; K53-F89 HydrophobicContact CB-CD2 4.12Å; K53-F89 HydrophobicContact CB-CE1 4.49Å; K53-F89 HydrophobicContact CB-CE2 3.87Å; K53-F89 HydrophobicContact CB-CZ 4.07Å; K53-F89 HydrophobicContact CD-CZ 4.2Å; K53-F89 HydrophobicContact CG-CD1 4.44Å; K53-F89 HydrophobicContact CG-CE1 4.02Å; K53-F89 HydrophobicContact CG-CE2 4.23Å; K53-F89 HydrophobicContact CG-CZ 3.91Å; F87-F89 PolarHBondContact O-N 3.37Å |
| 90 | F | 95.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -87.7 | -6.5 | -177 | -59.9 | -64.4 | 0 | 0 | 0 | 114.2 | P54 Y58 L61 L83 Q84 F87 P88 G92 W97 | P54-F90 HydrophobicContact CG-CE2 4.35Å; Y58-F90 HydrophobicContact CE1-CE1 4.35Å; L61-F90 HydrophobicContact CD1-CE2 4.22Å; L61-F90 HydrophobicContact CD1-CZ 3.75Å; L61-F90 HydrophobicContact CD2-CE2 4.37Å; L83-F90 HydrophobicContact CB-CB 4.46Å; L83-F90 HydrophobicContact CB-CD2 3.72Å; L83-F90 HydrophobicContact CB-CE2 4.21Å; L83-F90 HydrophobicContact CB-CG 4.14Å; L83-F90 HydrophobicContact CD2-CE2 4.23Å; L83-F90 WeakPolarHBondContact O-CD2 3.41Å; Q84-F90 HydrophobicContact CG-CB 4.09Å; Q84-F90 WeakPolarHBondContact CG-O 3.47Å; F87-F90 HydrophobicContact CB-CD2 3.85Å; F87-F90 HydrophobicContact CB-CE2 4.06Å; F87-F90 HydrophobicContact CD2-CD2 4.29Å; F87-F90 HydrophobicContact CD2-CE2 4.05Å; F87-F90 HydrophobicContact CG-CD2 4.49Å; F87-F90 HydrophobicContact CG-CE2 4.33Å; F87-F90 PolarHBondContact O-N 3.09Å; P88-F90 PolarHBondContact O-N 3.14Å; F90-G92 VanDerWaalsContact C-N 3.35Å; F90-W97 HydrophobicContact CB-CD2 4.34Å; F90-W97 HydrophobicContact CB-CH2 4.15Å; F90-W97 HydrophobicContact CB-CZ2 3.85Å; F90-W97 HydrophobicContact CD1-CB 4Å; F90-W97 AromaticContact CD1-CD2 3.47Å; F90-W97 HydrophobicContact CD1-CD2 3.47Å; F90-W97 VanDerWaalsContact CD1-CD2 3.47Å; F90-W97 AromaticContact CD1-CE2 3.9Å; F90-W97 AromaticContact CD1-CE3 3.74Å; F90-W97 HydrophobicContact CD1-CE3 3.74Å; F90-W97 AromaticContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CZ3 4.35Å; F90-W97 HydrophobicContact CE1-CB 3.98Å; F90-W97 HydrophobicContact CE1-CD2 4.2Å; F90-W97 HydrophobicContact CE1-CE3 4.27Å; F90-W97 HydrophobicContact CE1-CG 4.09Å; F90-W97 HydrophobicContact CG-CD2 4.27Å; F90-W97 HydrophobicContact CG-CE3 4.38Å; F90-W97 VanDerWaalsContact O-CZ2 3.3Å; F90-W97 WeakPolarHBondContact O-CZ2 3.38Å |
| 91 | R | 94.1 | Very high | 95.6 | Very high | 152 Ų | 152 | 66.2 Ų | 66.2 | 57% | 0.574 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -79.9 | -11.5 | -177 | -58.2 | -178.8 | -173.3 | 175.9 | 0.7 | 114.3 | Q84 S85 P88 | Q84-R91 HydrophobicContact CB-CG 4.38Å; Q84-R91 VanDerWaalsContact O-CG 3.26Å; Q84-R91 WeakPolarHBondContact O-CG 3.33Å; Q84-R91 PolarHBondContact O-NE 2.72Å; S85-R91 PolarHBondContact O-NH2 2.81Å; P88-R91 WeakPolarHBondContact O-CB 3.43Å; P88-R91 PolarHBondContact O-N 3.32Å; P88-R91 VanDerWaalsContact O-N 3.1Å |
| 92 | G | 90.4 | Very high | 95.7 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -72.6 | 169 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F90 Y94 Q95 | F90-G92 VanDerWaalsContact C-N 3.35Å; G92-Y94 PolarHBondContact O-N 3.19Å; G92-Q95 PolarHBondContact O-NE2 3.19Å |
| 93 | S | 91.8 | Very high | 95.7 | Very high | 119 Ų | 119 | 68.7 Ų | 68.7 | 83% | 0.832 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -60 | -31.2 | 177 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | Q95 | S93-Q95 WeakPolarHBondContact O-CG 3.37Å; S93-Q95 PolarHBondContact O-N 2.97Å; S93-Q95 PolarHBondContact O-NE2 3.16Å |
| 94 | Y | 93.3 | Very high | 95.7 | Very high | 168 Ų | 168 | 69.9 Ų | 69.9 | 66% | 0.659 | 35% | 0.353 | S | S | * | . | trans | -64.4 | 113.4 | 177.3 | 176.5 | -105.3 | 0 | 0 | 0 | 112.5 | G92 W97 | G92-Y94 PolarHBondContact O-N 3.19Å; Y94-W97 PolarHBondContact O-NE1 2.98Å | ||
| 95 | Q | 95.1 | Very high | 95.7 | Very high | 78 Ų | 78 | 67.3 Ų | 67.3 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | trans | -98.8 | 0.8 | -177.7 | -58.1 | -50.8 | -57.9 | 0 | 0 | 114.9 | G92 S93 W97 K98 | G92-Q95 PolarHBondContact O-NE2 3.19Å; S93-Q95 WeakPolarHBondContact O-CG 3.37Å; S93-Q95 PolarHBondContact O-N 2.97Å; S93-Q95 PolarHBondContact O-NE2 3.16Å; Q95-W97 PolarHBondContact O-N 3.04Å; Q95-W97 VanDerWaalsContact O-N 3.1Å; Q95-K98 HydrophobicContact CB-CD 4.48Å; Q95-K98 VanDerWaalsContact O-CB 3.31Å; Q95-K98 WeakPolarHBondContact O-CB 3.31Å; Q95-K98 PolarHBondContact O-N 2.97Å | ||
| 96 | G | 96.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 68.1 Ų | 68.1 | 27% | 0.268 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.2 | -28.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K98 N99 S100 | G96-K98 PolarHBondContact O-N 3.28Å; G96-N99 WeakPolarHBondContact O-CB 3.42Å; G96-N99 PolarHBondContact O-N 3Å; G96-S100 PolarHBondContact O-N 3Å |
| 97 | W | 96.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 1% | 0.011 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.9 | -30.5 | 172.6 | 62.7 | -95.6 | 0 | 0 | 0 | 113.4 | Y58 Y80 L83 Q84 F90 Y94 Q95 N99 S100 V101 | Y58-W97 HydrophobicContact CE1-CB 4.43Å; Y80-W97 HydrophobicContact CD1-CH2 4.23Å; Y80-W97 AromaticContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CD1-CZ3 3.76Å; Y80-W97 HydrophobicContact CE1-CZ3 4.49Å; Y80-W97 HydrophobicContact CG-CH2 4.37Å; Y80-W97 HydrophobicContact CG-CZ3 4.35Å; L83-W97 HydrophobicContact CB-CZ3 4.47Å; L83-W97 HydrophobicContact CD1-CZ3 4.25Å; Q84-W97 HydrophobicContact CG-CH2 4.03Å; Q84-W97 HydrophobicContact CG-CZ2 4.02Å; F90-W97 HydrophobicContact CB-CD2 4.34Å; F90-W97 HydrophobicContact CB-CH2 4.15Å; F90-W97 HydrophobicContact CB-CZ2 3.85Å; F90-W97 HydrophobicContact CD1-CB 4Å; F90-W97 AromaticContact CD1-CD2 3.47Å; F90-W97 HydrophobicContact CD1-CD2 3.47Å; F90-W97 VanDerWaalsContact CD1-CD2 3.47Å; F90-W97 AromaticContact CD1-CE2 3.9Å; F90-W97 AromaticContact CD1-CE3 3.74Å; F90-W97 HydrophobicContact CD1-CE3 3.74Å; F90-W97 AromaticContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CG 3.59Å; F90-W97 HydrophobicContact CD1-CZ3 4.35Å; F90-W97 HydrophobicContact CE1-CB 3.98Å; F90-W97 HydrophobicContact CE1-CD2 4.2Å; F90-W97 HydrophobicContact CE1-CE3 4.27Å; F90-W97 HydrophobicContact CE1-CG 4.09Å; F90-W97 HydrophobicContact CG-CD2 4.27Å; F90-W97 HydrophobicContact CG-CE3 4.38Å; F90-W97 VanDerWaalsContact O-CZ2 3.3Å; F90-W97 WeakPolarHBondContact O-CZ2 3.38Å; Y94-W97 PolarHBondContact O-NE1 2.98Å; Q95-W97 PolarHBondContact O-N 3.04Å; Q95-W97 VanDerWaalsContact O-N 3.1Å; W97-N99 PolarHBondContact O-N 2.94Å; W97-S100 WeakPolarHBondContact O-CB 3.44Å; W97-S100 PolarHBondContact O-N 3.22Å; W97-S100 VanDerWaalsContact O-N 3.13Å; W97-V101 HydrophobicContact CE3-CG2 4.16Å; W97-V101 WeakPolarHBondContact O-CG2 3.49Å; W97-V101 PolarHBondContact O-N 2.96Å |
| 98 | K | 97.5 | Very high | 95.9 | Very high | 45 Ų | 45 | 64.7 Ų | 64.7 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.9 | -29.5 | 175 | -69.2 | -177.5 | 169.1 | 157.1 | 0 | 111.7 | Y80 Q95 G96 R102 | Y80-K98 HydrophobicContact CD1-CB 4.45Å; Y80-K98 HydrophobicContact CD1-CD 4.38Å; Y80-K98 HydrophobicContact CD1-CG 3.89Å; Y80-K98 HydrophobicContact CD2-CD 4.05Å; Y80-K98 HydrophobicContact CD2-CG 4.43Å; Y80-K98 HydrophobicContact CE1-CB 3.74Å; Y80-K98 HydrophobicContact CE1-CD 4.27Å; Y80-K98 HydrophobicContact CE1-CG 3.67Å; Y80-K98 HydrophobicContact CE2-CD 3.95Å; Y80-K98 HydrophobicContact CE2-CG 4.26Å; Y80-K98 HydrophobicContact CG-CD 4.26Å; Y80-K98 HydrophobicContact CG-CG 4.26Å; Q95-K98 HydrophobicContact CB-CD 4.48Å; Q95-K98 VanDerWaalsContact O-CB 3.31Å; Q95-K98 WeakPolarHBondContact O-CB 3.31Å; Q95-K98 PolarHBondContact O-N 2.97Å; G96-K98 PolarHBondContact O-N 3.28Å; K98-R102 WeakPolarHBondContact O-CG 3.46Å; K98-R102 PolarHBondContact O-N 3.19Å; K98-R102 PolarHBondContact O-NH1 3.41Å |
| 99 | N | 97.9 | Very high | 95.9 | Very high | 96 Ų | 96 | 67.8 Ų | 67.8 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -71.1 | -43.8 | 173.4 | -159.2 | 40.3 | 0 | 0 | 0 | 111.2 | G96 W97 V101 R102 H103 | G96-N99 WeakPolarHBondContact O-CB 3.42Å; G96-N99 PolarHBondContact O-N 3Å; W97-N99 PolarHBondContact O-N 2.94Å; N99-V101 VanDerWaalsContact C-N 3.3Å; N99-V101 PolarHBondContact O-N 2.78Å; N99-R102 PolarHBondContact O-N 3.24Å; N99-R102 PolarHBondContact OD1-NH2 3.06Å; N99-H103 WeakPolarHBondContact O-CB 3.21Å; N99-H103 PolarHBondContact O-N 2.96Å |
| 100 | S | 97.8 | Very high | 95.9 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.9 | -38.9 | 175 | -50.3 | 0 | 0 | 0 | 0 | 112.6 | Y58 G96 W97 N104 | Y58-S100 PolarHBondContact OH-OG 3.23Å; G96-S100 PolarHBondContact O-N 3Å; W97-S100 WeakPolarHBondContact O-CB 3.44Å; W97-S100 PolarHBondContact O-N 3.22Å; W97-S100 VanDerWaalsContact O-N 3.13Å; S100-N104 WeakPolarHBondContact O-CB 3.4Å; S100-N104 PolarHBondContact O-N 2.69Å; S100-N104 PolarHBondContact O-ND2 2.74Å |
| 101 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.9 | -51.3 | 174.7 | 170 | 0 | 0 | 0 | 0 | 111.2 | Y58 I62 L76 I79 Y80 L83 W97 N99 H103 N104 L105 | Y58-V101 HydrophobicContact CD1-CG2 4.18Å; I62-V101 HydrophobicContact CD1-CG1 4.26Å; I62-V101 HydrophobicContact CG1-CG1 4.3Å; L76-V101 HydrophobicContact CD1-CG1 4.1Å; I79-V101 HydrophobicContact CG2-CG1 3.97Å; Y80-V101 HydrophobicContact CD1-CG1 4.35Å; Y80-V101 HydrophobicContact CE1-CB 4.21Å; Y80-V101 HydrophobicContact CE1-CG1 4Å; L83-V101 HydrophobicContact CD1-CG2 3.96Å; W97-V101 HydrophobicContact CE3-CG2 4.16Å; W97-V101 WeakPolarHBondContact O-CG2 3.49Å; W97-V101 PolarHBondContact O-N 2.96Å; N99-V101 VanDerWaalsContact C-N 3.3Å; N99-V101 PolarHBondContact O-N 2.78Å; V101-H103 VanDerWaalsContact C-N 3.35Å; V101-H103 PolarHBondContact O-N 3.09Å; V101-N104 PolarHBondContact O-N 2.96Å; V101-L105 HydrophobicContact CG1-CD1 4.19Å; V101-L105 WeakPolarHBondContact O-CG 3.43Å; V101-L105 PolarHBondContact O-N 3.03Å |
| 102 | R | 98.2 | Very high | 96.2 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.3 | -48.2 | 176.8 | -71.2 | -174 | -56.7 | -96.4 | 13.2 | 112.2 | L76 Y80 K98 N99 N104 L105 S106 | L76-R102 HydrophobicContact CD1-CG 3.97Å; L76-R102 HydrophobicContact CD2-CG 3.84Å; Y80-R102 PolarHBondContact OH-NH1 3.12Å; Y80-R102 VanDerWaalsContact OH-NH1 3.16Å; K98-R102 WeakPolarHBondContact O-CG 3.46Å; K98-R102 PolarHBondContact O-N 3.19Å; K98-R102 PolarHBondContact O-NH1 3.41Å; N99-R102 PolarHBondContact O-N 3.24Å; N99-R102 PolarHBondContact OD1-NH2 3.06Å; R102-N104 VanDerWaalsContact C-N 3.33Å; R102-N104 PolarHBondContact O-N 2.91Å; R102-L105 PolarHBondContact O-N 3.16Å; R102-S106 PolarHBondContact O-N 3.28Å; R102-S106 VanDerWaalsContact O-N 3.16Å; R102-S106 PolarHBondContact O-OG 3.21Å |
| 103 | H | 98.2 | Very high | 96.5 | Very high | 99 Ų | 99 | 65.6 Ų | 65.6 | 46% | 0.458 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 178.8 | 169.9 | 73.2 | 0 | 0 | 0 | 112.5 | N99 V101 S106 L107 | N99-H103 WeakPolarHBondContact O-CB 3.21Å; N99-H103 PolarHBondContact O-N 2.96Å; V101-H103 VanDerWaalsContact C-N 3.35Å; V101-H103 PolarHBondContact O-N 3.09Å; H103-S106 PolarHBondContact O-N 3.3Å; H103-S106 PolarHBondContact O-OG 3.07Å; H103-S106 VanDerWaalsContact O-OG 3.09Å; H103-L107 VanDerWaalsContact CE1-CD1 3.41Å; H103-L107 WeakPolarHBondContact CE1-CD1 3.48Å; H103-L107 WeakPolarHBondContact O-CB 3.3Å; H103-L107 PolarHBondContact O-N 3.15Å |
| 104 | N | 98.1 | Very high | 96.7 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.6 | -34 | 177.7 | -84.2 | -105.2 | 0 | 0 | 0 | 112.7 | I62 S100 V101 R102 S106 N108 | I62-N104 HydrophobicContact CD1-CB 3.94Å; S100-N104 WeakPolarHBondContact O-CB 3.4Å; S100-N104 PolarHBondContact O-N 2.69Å; S100-N104 PolarHBondContact O-ND2 2.74Å; V101-N104 PolarHBondContact O-N 2.96Å; R102-N104 VanDerWaalsContact C-N 3.33Å; R102-N104 PolarHBondContact O-N 2.91Å; N104-S106 VanDerWaalsContact C-N 3.34Å; N104-N108 PolarHBondContact O-N 2.82Å; N104-N108 PolarHBondContact O-ND2 3.42Å; N104-N108 PolarHBondContact OD1-ND2 2.92Å |
| 105 | L | 97.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.5 | -35.7 | 173.1 | -71.3 | 167.2 | 0 | 0 | 0 | 112.4 | I62 L76 I79 V101 R102 F111 W127 | I62-L105 HydrophobicContact CD1-CD2 4.15Å; I62-L105 HydrophobicContact CD1-CG 4.03Å; I62-L105 HydrophobicContact CG2-CD2 3.71Å; L76-L105 HydrophobicContact CD1-CD1 3.7Å; I79-L105 HydrophobicContact CD1-CD1 4.24Å; I79-L105 HydrophobicContact CD1-CD2 4.28Å; V101-L105 HydrophobicContact CG1-CD1 4.19Å; V101-L105 WeakPolarHBondContact O-CG 3.43Å; V101-L105 PolarHBondContact O-N 3.03Å; R102-L105 PolarHBondContact O-N 3.16Å; L105-F111 HydrophobicContact CD2-CB 4.08Å; L105-F111 HydrophobicContact CD2-CD1 4.42Å; L105-F111 HydrophobicContact CD2-CD2 4.17Å; L105-F111 HydrophobicContact CD2-CG 3.96Å; L105-W127 HydrophobicContact CB-CD2 4.22Å; L105-W127 HydrophobicContact CB-CE3 4.15Å; L105-W127 HydrophobicContact CB-CH2 3.99Å; L105-W127 HydrophobicContact CB-CZ2 4.08Å; L105-W127 HydrophobicContact CB-CZ3 4.03Å; L105-W127 HydrophobicContact CD1-CD2 4.33Å; L105-W127 HydrophobicContact CD1-CG 4.38Å; L105-W127 HydrophobicContact CD2-CB 4.15Å; L105-W127 HydrophobicContact CD2-CD2 3.88Å; L105-W127 HydrophobicContact CD2-CE3 4.02Å; L105-W127 HydrophobicContact CD2-CG 3.94Å; L105-W127 HydrophobicContact CG-CD2 4.38Å; L105-W127 WeakPolarHBondContact O-CZ3 3.33Å |
| 106 | S | 97.2 | Very high | 96.3 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 66% | 0.657 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -87.8 | -22.1 | 179.4 | 57.3 | 0 | 0 | 0 | 0 | 115 | R102 H103 N104 | R102-S106 PolarHBondContact O-N 3.28Å; R102-S106 VanDerWaalsContact O-N 3.16Å; R102-S106 PolarHBondContact O-OG 3.21Å; H103-S106 PolarHBondContact O-N 3.3Å; H103-S106 PolarHBondContact O-OG 3.07Å; H103-S106 VanDerWaalsContact O-OG 3.09Å; N104-S106 VanDerWaalsContact C-N 3.34Å |
| 107 | L | 96.3 | Very high | 95.6 | Very high | 105 Ų | 105 | 59.1 Ų | 59.1 | 55% | 0.55 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -92 | -30.1 | -175.1 | -179.5 | 146.9 | 0 | 0 | 0 | 113.7 | H103 | H103-L107 VanDerWaalsContact CE1-CD1 3.41Å; H103-L107 WeakPolarHBondContact CE1-CD1 3.48Å; H103-L107 WeakPolarHBondContact O-CB 3.3Å; H103-L107 PolarHBondContact O-N 3.15Å |
| 108 | N | 95.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 67.8 Ų | 67.8 | 17% | 0.171 | 36% | 0.364 | C | S | . | . | trans | -103.8 | 123.3 | -172.3 | -59.1 | -88.2 | 0 | 0 | 0 | 111.1 | I59 N104 C110 F111 | I59-N108 VanDerWaalsContact CD1-OD1 3.26Å; I59-N108 WeakPolarHBondContact CD1-OD1 3.2Å; N104-N108 PolarHBondContact O-N 2.82Å; N104-N108 PolarHBondContact O-ND2 3.42Å; N104-N108 PolarHBondContact OD1-ND2 2.92Å; N108-C110 PolarHBondContact O-N 3.07Å; N108-F111 HydrophobicContact CB-CD2 4.26Å; N108-F111 HydrophobicContact CB-CE2 4.48Å; N108-F111 PolarHBondContact O-N 2.99Å; N108-F111 VanDerWaalsContact O-N 3.07Å | ||
| 109 | E | 94.3 | Very high | 93.3 | Very high | 134 Ų | 134 | 69.1 Ų | 69.1 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -28.3 | 175 | -57.5 | 159.2 | 128.7 | 0 | 0 | 112.9 | F111 R150 | E109-F111 PolarHBondContact O-N 3Å; E109-R150 IonicContact OE2-CZ 3.61Å; E109-R150 IonicContact OE2-NH1 3.95Å; E109-R150 PolarHBondContact OE2-NH1 3.27Å; E109-R150 VanDerWaalsContact OE2-NH1 3.14Å; E109-R150 IonicContact OE2-NH2 3.02Å; E109-R150 PolarHBondContact OE2-NH2 3.48Å |
| 110 | C | 95.1 | Very high | 92.2 | Very high | 10 Ų | 10 | 73.8 Ų | 73.8 | 7% | 0.068 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -10.4 | 177.1 | -51.9 | 0 | 0 | 0 | 0 | 115.2 | N108 I129 D130 S133 | N108-C110 PolarHBondContact O-N 3.07Å; C110-I129 WeakPolarHBondContact O-CA 3.31Å; C110-D130 PolarHBondContact O-N 2.99Å; C110-S133 WeakPolarHBondContact CA-OG 3.44Å |
| 111 | F | 97.4 | Very high | 91 | Very high | 9 Ų | 9 | 78.7 Ų | 78.7 | 4% | 0.039 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 116.7 | 178 | -55.6 | -58 | 0 | 0 | 0 | 111.3 | I59 I62 V63 I66 L105 N108 E109 W127 T128 I129 | I59-F111 HydrophobicContact CB-CE2 4.38Å; I59-F111 HydrophobicContact CB-CZ 4.36Å; I59-F111 HydrophobicContact CG1-CE2 4.47Å; I59-F111 HydrophobicContact CG2-CE2 3.98Å; I59-F111 HydrophobicContact CG2-CZ 3.76Å; I62-F111 HydrophobicContact CB-CE1 3.99Å; I62-F111 HydrophobicContact CB-CE2 4.27Å; I62-F111 HydrophobicContact CB-CZ 3.64Å; I62-F111 HydrophobicContact CD1-CE2 4.04Å; I62-F111 HydrophobicContact CD1-CZ 4.28Å; I62-F111 HydrophobicContact CG2-CD1 3.88Å; I62-F111 HydrophobicContact CG2-CE1 3.38Å; I62-F111 HydrophobicContact CG2-CE2 4.14Å; I62-F111 HydrophobicContact CG2-CG 4.45Å; I62-F111 HydrophobicContact CG2-CZ 3.52Å; V63-F111 HydrophobicContact CG2-CE1 3.77Å; V63-F111 HydrophobicContact CG2-CZ 3.95Å; I66-F111 HydrophobicContact CD1-CD1 4.08Å; I66-F111 HydrophobicContact CD1-CE1 4.27Å; L105-F111 HydrophobicContact CD2-CB 4.08Å; L105-F111 HydrophobicContact CD2-CD1 4.42Å; L105-F111 HydrophobicContact CD2-CD2 4.17Å; L105-F111 HydrophobicContact CD2-CG 3.96Å; N108-F111 HydrophobicContact CB-CD2 4.26Å; N108-F111 HydrophobicContact CB-CE2 4.48Å; N108-F111 PolarHBondContact O-N 2.99Å; N108-F111 VanDerWaalsContact O-N 3.07Å; E109-F111 PolarHBondContact O-N 3Å; F111-W127 HydrophobicContact CB-CE3 4.12Å; F111-W127 HydrophobicContact CB-CZ3 4.48Å; F111-T128 WeakPolarHBondContact CA-O 3.43Å; F111-I129 HydrophobicContact CE1-CG1 4.49Å |
| 112 | I | 97.1 | Very high | 90.1 | Very high | 69 Ų | 69 | 81 Ų | 81 | 35% | 0.354 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 140.1 | 177.1 | 60.7 | 176.1 | 0 | 0 | 0 | 111.4 | W127 T128 D130 | I112-W127 WeakPolarHBondContact O-CA 3.46Å; I112-T128 HydrophobicContact CD1-CG2 3.79Å; I112-T128 HydrophobicContact CG1-CG2 3.37Å; I112-T128 PolarHBondContact N-O 3.31Å; I112-T128 PolarHBondContact O-N 3.26Å; I112-T128 VanDerWaalsContact O-N 3.13Å; I112-D130 HydrophobicContact CG2-CB 4.17Å |
| 113 | K | 97.3 | Very high | 89.4 | Confident | 121 Ų | 121 | 85.8 Ų | 85.8 | 53% | 0.526 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 108.4 | -176.2 | 178 | -167.3 | 165.9 | -162.2 | 0 | 109.6 | H125 W127 | K113-H125 WeakPolarHBondContact CE-CD2 3.19Å; K113-H125 VanDerWaalsContact CE-CG 3.4Å; K113-H125 WeakPolarHBondContact CE-NE2 3.49Å; K113-H125 HydrophobicContact CG-CB 3.97Å; K113-W127 HydrophobicContact CB-CE3 4.11Å; K113-W127 HydrophobicContact CB-CH2 3.95Å; K113-W127 HydrophobicContact CB-CZ2 4.36Å; K113-W127 HydrophobicContact CB-CZ3 3.81Å; K113-W127 HydrophobicContact CG-CH2 4.38Å; K113-W127 HydrophobicContact CG-CZ2 4.37Å |
| 114 | L | 95.3 | Very high | 89 | Confident | 52 Ų | 52 | 83.3 Ų | 83.3 | 27% | 0.272 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 141.1 | 177.7 | -60.9 | 178.6 | 0 | 0 | 0 | 111.7 | Y126 T128 | L114-Y126 PolarHBondContact N-O 2.81Å; L114-Y126 PolarHBondContact O-N 2.99Å; L114-T128 HydrophobicContact CD1-CG2 3.66Å; L114-T128 HydrophobicContact CD2-CG2 4.25Å; L114-T128 HydrophobicContact CG-CG2 3.87Å |
| 115 | P | 93.1 | Very high | 88.8 | Confident | 104 Ų | 104 | 85.9 Ų | 85.9 | 68% | 0.675 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 154.9 | 171.2 | 29.3 | -34.8 | 0 | 0 | 0 | 111.1 | ||
| 116 | K | 87.4 | Confident | 88.8 | Confident | 44 Ų | 44 | 88.4 Ų | 88.4 | 19% | 0.191 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -95.1 | 134.5 | 167.1 | -63.6 | -177.6 | 70 | -177.6 | 0 | 108.2 | L118 G122 G124 Y126 | K116-L118 PolarHBondContact O-N 3.34Å; K116-G122 VanDerWaalsContact NZ-C 3.31Å; K116-G122 PolarHBondContact NZ-O 3.1Å; K116-G124 WeakPolarHBondContact CD-O 3.49Å; K116-Y126 HydrophobicContact CD-CE2 4.48Å; K116-Y126 HydrophobicContact CG-CD2 3.79Å; K116-Y126 HydrophobicContact CG-CE2 3.88Å |
| 117 | G | 82 | Confident | 88.8 | Confident | 55 Ų | 55 | 85.9 Ų | 85.9 | 57% | 0.567 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 136.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G119 R120 | G117-G119 PolarHBondContact O-N 2.89Å; G117-R120 PolarHBondContact O-N 3.16Å |
| 118 | L | 71.4 | Confident | 88.9 | Confident | 185 Ų | 185 | 82.1 Ų | 82.1 | 97% | 0.969 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -20 | -163.8 | -78.2 | 65.4 | 0 | 0 | 0 | 114.4 | K116 R120 | K116-L118 PolarHBondContact O-N 3.34Å; L118-R120 PolarHBondContact O-N 3.1Å |
| 119 | G | 73.6 | Confident | 88.9 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 74% | 0.742 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | G117 | G117-G119 PolarHBondContact O-N 2.89Š|
| 120 | R | 75.3 | Confident | 89 | Confident | 195 Ų | 195 | 76.3 Ų | 76.3 | 74% | 0.736 | 43% | 0.431 | S | S | * | . | trans | -117.7 | 95.6 | 178.8 | -65.4 | -152.1 | -176.2 | -74.4 | 1.9 | 112.9 | G117 L118 G122 | G117-R120 PolarHBondContact O-N 3.16Å; L118-R120 PolarHBondContact O-N 3.1Å; R120-G122 PolarHBondContact O-N 3.48Å | ||
| 121 | P | 71.9 | Confident | 89 | Confident | 138 Ų | 138 | 80.2 Ų | 80.2 | 90% | 0.896 | 46% | 0.456 | S | S | * | . | trans | -63.4 | 120.4 | 178.7 | 26.5 | -34 | 0 | 0 | 0 | 110.5 | ||||
| 122 | G | 79.3 | Confident | 88.6 | Confident | 49 Ų | 49 | 83.4 Ų | 83.4 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | trans | 169.3 | 142 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K116 R120 | K116-G122 VanDerWaalsContact NZ-C 3.31Å; K116-G122 PolarHBondContact NZ-O 3.1Å; R120-G122 PolarHBondContact O-N 3.48Å | ||
| 123 | K | 83.1 | Confident | 88.2 | Confident | 206 Ų | 206 | 80.2 Ų | 80.2 | 90% | 0.896 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -58.9 | 150.7 | -171.7 | -164.1 | 165.1 | -174.8 | 165.5 | 0 | 113.8 | ||
| 124 | G | 90 | Very high | 87.8 | Confident | 46 Ų | 46 | 77.8 Ų | 77.8 | 47% | 0.474 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 82.6 | -166.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K116 | K116-G124 WeakPolarHBondContact CD-O 3.49Š|
| 125 | H | 94.9 | Very high | 87.4 | Confident | 80 Ų | 80 | 81.5 Ų | 81.5 | 37% | 0.37 | 47% | 0.473 | S | S | . | . | trans | -126.8 | 163.2 | 176.9 | -69 | 73.5 | 0 | 0 | 0 | 108.9 | T75 K113 | T75-H125 WeakPolarHBondContact CA-O 3.3Å; K113-H125 WeakPolarHBondContact CE-CD2 3.19Å; K113-H125 VanDerWaalsContact CE-CG 3.4Å; K113-H125 WeakPolarHBondContact CE-NE2 3.49Å; K113-H125 HydrophobicContact CG-CB 3.97Å | ||
| 126 | Y | 96.6 | Very high | 86.9 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 22% | 0.22 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 149.6 | 167.7 | -71 | -65.1 | 0 | 0 | 0 | 110.2 | R73 T75 L114 K116 | R73-Y126 HydrophobicContact CG-CD1 4.19Å; R73-Y126 HydrophobicContact CG-CG 4.35Å; T75-Y126 HydrophobicContact CG2-CD1 3.73Å; T75-Y126 HydrophobicContact CG2-CE1 3.73Å; L114-Y126 PolarHBondContact N-O 2.81Å; L114-Y126 PolarHBondContact O-N 2.99Å; K116-Y126 HydrophobicContact CD-CE2 4.48Å; K116-Y126 HydrophobicContact CG-CD2 3.79Å; K116-Y126 HydrophobicContact CG-CE2 3.88Å |
| 127 | W | 97.9 | Very high | 86.6 | Confident | 41 Ų | 41 | 77.3 Ų | 77.3 | 16% | 0.155 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.9 | 170.6 | -64.8 | 90.2 | 0 | 0 | 0 | 108.4 | I66 R73 L74 I79 L105 F111 I112 K113 | I66-W127 HydrophobicContact CD1-CB 4.48Å; R73-W127 CarbonylContact C-O 3.57Å; R73-W127 VanDerWaalsContact CA-O 3.23Å; R73-W127 WeakPolarHBondContact CA-O 3.37Å; L74-W127 PolarHBondContact N-O 2.98Å; L74-W127 PolarHBondContact O-N 3.21Å; I79-W127 HydrophobicContact CD1-CB 4.5Å; L105-W127 HydrophobicContact CB-CD2 4.22Å; L105-W127 HydrophobicContact CB-CE3 4.15Å; L105-W127 HydrophobicContact CB-CH2 3.99Å; L105-W127 HydrophobicContact CB-CZ2 4.08Å; L105-W127 HydrophobicContact CB-CZ3 4.03Å; L105-W127 HydrophobicContact CD1-CD2 4.33Å; L105-W127 HydrophobicContact CD1-CG 4.38Å; L105-W127 HydrophobicContact CD2-CB 4.15Å; L105-W127 HydrophobicContact CD2-CD2 3.88Å; L105-W127 HydrophobicContact CD2-CE3 4.02Å; L105-W127 HydrophobicContact CD2-CG 3.94Å; L105-W127 HydrophobicContact CG-CD2 4.38Å; L105-W127 WeakPolarHBondContact O-CZ3 3.33Å; F111-W127 HydrophobicContact CB-CE3 4.12Å; F111-W127 HydrophobicContact CB-CZ3 4.48Å; I112-W127 WeakPolarHBondContact O-CA 3.46Å; K113-W127 HydrophobicContact CB-CE3 4.11Å; K113-W127 HydrophobicContact CB-CH2 3.95Å; K113-W127 HydrophobicContact CB-CZ2 4.36Å; K113-W127 HydrophobicContact CB-CZ3 3.81Å; K113-W127 HydrophobicContact CG-CH2 4.38Å; K113-W127 HydrophobicContact CG-CZ2 4.37Å |
| 128 | T | 97.7 | Very high | 86.4 | Confident | 26 Ų | 26 | 82 Ų | 82 | 16% | 0.16 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 164.5 | 169.8 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | K72 F111 I112 L114 | K72-T128 PolarHBondContact O-OG1 3.26Å; F111-T128 WeakPolarHBondContact CA-O 3.43Å; I112-T128 HydrophobicContact CD1-CG2 3.79Å; I112-T128 HydrophobicContact CG1-CG2 3.37Å; I112-T128 PolarHBondContact N-O 3.31Å; I112-T128 PolarHBondContact O-N 3.26Å; I112-T128 VanDerWaalsContact O-N 3.13Å; L114-T128 HydrophobicContact CD1-CG2 3.66Å; L114-T128 HydrophobicContact CD2-CG2 4.25Å; L114-T128 HydrophobicContact CG-CG2 3.87Å |
| 129 | I | 96.9 | Very high | 86.4 | Confident | 3 Ų | 3 | 81.3 Ų | 81.3 | 2% | 0.015 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 142.7 | 164.4 | -62.9 | 156.9 | 0 | 0 | 0 | 107.8 | V63 I66 Q67 C110 F111 E134 | V63-I129 HydrophobicContact CB-CD1 4.35Å; V63-I129 HydrophobicContact CG1-CD1 3.87Å; V63-I129 HydrophobicContact CG2-CD1 4.31Å; V63-I129 HydrophobicContact CG2-CG1 4.29Å; I66-I129 HydrophobicContact CB-CD1 4.18Å; I66-I129 HydrophobicContact CB-CG1 4.29Å; I66-I129 HydrophobicContact CD1-CG1 4.31Å; I66-I129 HydrophobicContact CG2-CD1 3.96Å; I66-I129 HydrophobicContact CG2-CG1 3.99Å; Q67-I129 HydrophobicContact CG-CD1 3.74Å; C110-I129 WeakPolarHBondContact O-CA 3.31Å; F111-I129 HydrophobicContact CE1-CG1 4.49Å; I129-E134 HydrophobicContact CG2-CB 3.98Å; I129-E134 HydrophobicContact CG2-CG 4.37Å |
| 130 | D | 96.3 | Very high | 86.2 | Confident | 41 Ų | 41 | 79.9 Ų | 79.9 | 22% | 0.219 | 43% | 0.43 | C | S | . | . | trans | -70.2 | 124.2 | 167.9 | 167.2 | 22.6 | 0 | 0 | 0 | 109.5 | C110 I112 A132 S133 E134 | C110-D130 PolarHBondContact O-N 2.99Å; I112-D130 HydrophobicContact CG2-CB 4.17Å; D130-A132 PolarHBondContact O-N 3.21Å; D130-A132 PolarHBondContact OD1-N 3.13Å; D130-S133 CarbonylContact O-C 3.58Å; D130-S133 WeakPolarHBondContact O-CA 3.34Å; D130-S133 WeakPolarHBondContact O-CB 3.46Å; D130-S133 PolarHBondContact O-N 3.48Å; D130-S133 PolarHBondContact O-OG 2.96Å; D130-E134 PolarHBondContact O-N 2.94Å; D130-E134 VanDerWaalsContact O-N 3.14Å | ||
| 131 | P | 94.1 | Very high | 86.1 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 60% | 0.604 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -52.6 | -34.9 | 175.6 | -27.9 | 36.2 | 0 | 0 | 0 | 113.8 | S133 E134 | P131-S133 PolarHBondContact O-N 3.28Å; P131-E134 PolarHBondContact O-N 2.95Å |
| 132 | A | 90.6 | Very high | 86.3 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 62% | 0.62 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -71.6 | 4.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D130 F135 | D130-A132 PolarHBondContact O-N 3.21Å; D130-A132 PolarHBondContact OD1-N 3.13Å; A132-F135 VanDerWaalsContact O-CE1 3.31Å; A132-F135 WeakPolarHBondContact O-CE1 3.15Å |
| 133 | S | 88.6 | Confident | 85.9 | Confident | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -126.8 | -11.8 | 175.6 | 80.6 | 0 | 0 | 0 | 0 | 114.5 | C110 D130 P131 F135 M136 F137 | C110-S133 WeakPolarHBondContact CA-OG 3.44Å; D130-S133 CarbonylContact O-C 3.58Å; D130-S133 WeakPolarHBondContact O-CA 3.34Å; D130-S133 WeakPolarHBondContact O-CB 3.46Å; D130-S133 PolarHBondContact O-N 3.48Å; D130-S133 PolarHBondContact O-OG 2.96Å; P131-S133 PolarHBondContact O-N 3.28Å; S133-F135 PolarHBondContact O-N 3.38Å; S133-M136 WeakPolarHBondContact O-CB 3.37Å; S133-M136 PolarHBondContact O-N 2.81Å; S133-M136 VanDerWaalsContact O-N 3.09Å; S133-F137 WeakPolarHBondContact O-CD2 3.26Å |
| 134 | E | 88.9 | Confident | 85 | Confident | 69 Ų | 69 | 74.3 Ų | 74.3 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | -169.4 | -172.9 | 153.8 | -148.7 | 0 | 0 | 112.6 | I129 D130 P131 M136 F137 | I129-E134 HydrophobicContact CG2-CB 3.98Å; I129-E134 HydrophobicContact CG2-CG 4.37Å; D130-E134 PolarHBondContact O-N 2.94Å; D130-E134 VanDerWaalsContact O-N 3.14Å; P131-E134 PolarHBondContact O-N 2.95Å; E134-M136 PolarHBondContact O-N 3.28Å; E134-F137 PolarHBondContact O-N 3.27Å |
| 135 | F | 85.7 | Confident | 83.9 | Confident | 130 Ų | 130 | 76.8 Ų | 76.8 | 57% | 0.57 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -54 | -24.8 | 175.1 | 73.3 | -95.9 | 0 | 0 | 0 | 113.8 | A132 S133 F137 | A132-F135 VanDerWaalsContact O-CE1 3.31Å; A132-F135 WeakPolarHBondContact O-CE1 3.15Å; S133-F135 PolarHBondContact O-N 3.38Å; F135-F137 PolarHBondContact O-N 3.43Å |
| 136 | M | 82.8 | Confident | 82.4 | Confident | 40 Ų | 40 | 78.2 Ų | 78.2 | 20% | 0.197 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.7 | -11.5 | 178.7 | -68.9 | -169.3 | -83.7 | 0 | 0 | 113.6 | S133 E134 R145 | S133-M136 WeakPolarHBondContact O-CB 3.37Å; S133-M136 PolarHBondContact O-N 2.81Å; S133-M136 VanDerWaalsContact O-N 3.09Å; E134-M136 PolarHBondContact O-N 3.28Å; M136-R145 PolarHBondContact O-NH2 3.16Å |
| 137 | F | 82.3 | Confident | 80.7 | Confident | 20 Ų | 20 | 87.4 Ų | 87.4 | 9% | 0.088 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -124.9 | -4.3 | -173.7 | -51.4 | -76.3 | 0 | 0 | 0 | 114.2 | I59 V63 S133 E134 F135 F142 | I59-F137 HydrophobicContact CG2-CE1 4.05Å; I59-F137 HydrophobicContact CG2-CZ 3.78Å; V63-F137 HydrophobicContact CB-CD1 4.4Å; V63-F137 HydrophobicContact CB-CG 4.41Å; V63-F137 HydrophobicContact CG1-CB 3.68Å; V63-F137 HydrophobicContact CG1-CD1 4.06Å; V63-F137 HydrophobicContact CG1-CD2 4.15Å; V63-F137 HydrophobicContact CG1-CG 3.7Å; V63-F137 HydrophobicContact CG2-CD1 4.05Å; V63-F137 HydrophobicContact CG2-CD2 3.98Å; V63-F137 HydrophobicContact CG2-CE1 3.99Å; V63-F137 HydrophobicContact CG2-CE2 3.92Å; V63-F137 HydrophobicContact CG2-CG 4.05Å; V63-F137 HydrophobicContact CG2-CZ 3.92Å; S133-F137 WeakPolarHBondContact O-CD2 3.26Å; E134-F137 PolarHBondContact O-N 3.27Å; F135-F137 PolarHBondContact O-N 3.43Å; F137-F142 HydrophobicContact CB-CE1 4.26Å |
| 138 | E | 76.9 | Confident | 78.8 | Confident | 154 Ų | 154 | 87.7 Ų | 87.7 | 72% | 0.72 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -72.2 | -43.7 | -175.7 | -167.8 | 165.3 | -161 | 0 | 0 | 112.3 | G140 | E138-G140 PolarHBondContact O-N 3.5Å |
| 139 | E | 71.5 | Confident | 76.8 | Confident | 170 Ų | 170 | 92.2 Ų | 92.2 | 79% | 0.794 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 21.2 | 177.5 | -54.8 | 179.6 | 140.3 | 0 | 0 | 114.6 | S141 | E139-S141 PolarHBondContact O-N 3.09Å; E139-S141 VanDerWaalsContact O-N 3.16Å |
| 140 | G | 69.1 | Low | 74.9 | Confident | 43 Ų | 43 | 98.4 Ų | 98.4 | 44% | 0.443 | 48% | 0.479 | S | S | . | . | S | Bend | trans | 67.2 | 13.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E138 F142 | E138-G140 PolarHBondContact O-N 3.5Å; G140-F142 WeakPolarHBondContact O-CD2 3.41Å; G140-F142 PolarHBondContact O-N 2.95Å |
| 141 | S | 72.4 | Confident | 72.9 | Confident | 34 Ų | 34 | 106 Ų | 106 | 24% | 0.238 | 50% | 0.504 | C | S | . | . | trans | -70.9 | 42.1 | -176.1 | 177.5 | 0 | 0 | 0 | 0 | 114.4 | E139 R143 R145 | E139-S141 PolarHBondContact O-N 3.09Å; E139-S141 VanDerWaalsContact O-N 3.16Å; S141-R143 PolarHBondContact O-N 3.39Å; S141-R145 PolarHBondContact OG-NE 2.86Å; S141-R145 VanDerWaalsContact OG-NE 3.16Å; S141-R145 PolarHBondContact OG-NH2 3.02Å | ||
| 142 | F | 76.9 | Confident | 70.8 | Confident | 42 Ų | 42 | 109.8 Ų | 109.8 | 18% | 0.184 | 51% | 0.511 | C | S | . | . | trans | -71.4 | -15.2 | 178.2 | -56.3 | -66.8 | 0 | 0 | 0 | 113.9 | Y56 A60 V63 M64 F137 G140 | Y56-F142 HydrophobicContact CD1-CB 3.84Å; Y56-F142 HydrophobicContact CE1-CB 3.85Å; A60-F142 HydrophobicContact CB-CB 4.18Å; A60-F142 HydrophobicContact CB-CD1 4.3Å; A60-F142 WeakPolarHBondContact CB-O 3.49Å; V63-F142 HydrophobicContact CG1-CE1 3.98Å; M64-F142 HydrophobicContact CG-CD1 3.81Å; M64-F142 HydrophobicContact CG-CE1 3.73Å; M64-F142 HydrophobicContact CG-CG 4.3Å; M64-F142 HydrophobicContact CG-CZ 4.14Å; M64-F142 HydrophobicContact SD-CD1 4.39Å; M64-F142 HydrophobicContact SD-CG 4.31Å; F137-F142 HydrophobicContact CB-CE1 4.26Å; G140-F142 WeakPolarHBondContact O-CD2 3.41Å; G140-F142 PolarHBondContact O-N 2.95Å | ||
| 143 | R | 70.1 | Confident | 69.1 | Low | 208 Ų | 208 | 110.3 Ų | 110.3 | 79% | 0.785 | 51% | 0.509 | S | S | * | . | B | Isolated β-bridge | trans | -68.2 | 145.3 | 174.7 | -63.8 | -177 | 73.5 | -143.3 | 4.8 | 110.6 | S141 R145 | S141-R143 PolarHBondContact O-N 3.39Å; R143-R145 PolarHBondContact O-N 3.31Å; R143-R145 VanDerWaalsContact O-N 3.1Å |
| 144 | R | 65.4 | Low | 67.6 | Low | 187 Ų | 187 | 116.1 Ų | 116.1 | 71% | 0.706 | 54% | 0.536 | S | S | * | . | trans | -66.2 | 109.3 | -178.4 | -63.5 | -177.9 | 66.1 | -165.2 | 0.1 | 111.3 | ||||
| 145 | R | 66.6 | Low | 65.9 | Low | 98 Ų | 98 | 116.9 Ų | 116.9 | 37% | 0.37 | 55% | 0.554 | S | S | . | * | trans | -60.6 | 137.2 | 168.5 | -62.7 | -178.4 | -174.1 | 160.8 | 2.4 | 110 | M136 S141 R143 | M136-R145 PolarHBondContact O-NH2 3.16Å; S141-R145 PolarHBondContact OG-NE 2.86Å; S141-R145 VanDerWaalsContact OG-NE 3.16Å; S141-R145 PolarHBondContact OG-NH2 3.02Å; R143-R145 PolarHBondContact O-N 3.31Å; R143-R145 VanDerWaalsContact O-N 3.1Å | ||
| 146 | P | 63.4 | Low | 64.6 | Low | 110 Ų | 110 | 118.1 Ų | 118.1 | 71% | 0.714 | 57% | 0.566 | S | S | * | * | trans | -58.4 | 148 | 174.1 | -25.6 | 35.2 | 0 | 0 | 0 | 112.5 | G148 F149 | P146-G148 PolarHBondContact O-N 3.14Å; P146-F149 PolarHBondContact O-N 3.44Å | ||
| 147 | R | 59.9 | Low | 63 | Low | 248 Ų | 248 | 124.2 Ų | 124.2 | 94% | 0.936 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -19.1 | -172 | -78.3 | -171.7 | -179.9 | -103.6 | 11.9 | 115.1 | F149 | R147-F149 PolarHBondContact O-N 3.29Š|
| 148 | G | 59.2 | Low | 61.3 | Low | 47 Ų | 47 | 128 Ų | 128 | 49% | 0.485 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.2 | -21.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | P146 R150 | P146-G148 PolarHBondContact O-N 3.14Å; G148-R150 PolarHBondContact O-N 2.94Å |
| 149 | F | 55.9 | Low | 60 | Low | 121 Ų | 121 | 128 Ų | 128 | 53% | 0.531 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68 | -38.1 | -166.1 | -167.1 | -98.2 | 0 | 0 | 0 | 114.6 | P146 R147 R151 K152 | P146-F149 PolarHBondContact O-N 3.44Å; R147-F149 PolarHBondContact O-N 3.29Å; F149-R151 PolarHBondContact O-N 3.44Å; F149-K152 PolarHBondContact O-N 3.39Å |
| 150 | R | 56.2 | Low | 59.1 | Low | 134 Ų | 134 | 129.2 Ų | 129.2 | 51% | 0.506 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.2 | -15 | -171 | -135.7 | -169.7 | -167 | -138.9 | 4.4 | 114.3 | E109 G148 K152 | E109-R150 IonicContact OE2-CZ 3.61Å; E109-R150 IonicContact OE2-NH1 3.95Å; E109-R150 PolarHBondContact OE2-NH1 3.27Å; E109-R150 VanDerWaalsContact OE2-NH1 3.14Å; E109-R150 IonicContact OE2-NH2 3.02Å; E109-R150 PolarHBondContact OE2-NH2 3.48Å; G148-R150 PolarHBondContact O-N 2.94Å; R150-K152 PolarHBondContact O-N 3.07Å |
| 151 | R | 55.2 | Low | 58.3 | Low | 200 Ų | 200 | 132.7 Ų | 132.7 | 76% | 0.755 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.7 | -29.3 | 179.4 | -72.5 | -165.5 | -68.8 | 174.8 | -2 | 113.9 | F149 | F149-R151 PolarHBondContact O-N 3.44Å |
| 152 | K | 49.6 | Very low | 57.5 | Low | 172 Ų | 172 | 138 Ų | 138 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.2 | -38.2 | -177.5 | -69.9 | -167.1 | 173.8 | -169.7 | 0 | 112.9 | F149 R150 Q154 A155 | F149-K152 PolarHBondContact O-N 3.39Å; R150-K152 PolarHBondContact O-N 3.07Å; K152-Q154 VanDerWaalsContact C-N 3.28Å; K152-Q154 PolarHBondContact O-N 3.34Å; K152-A155 PolarHBondContact O-N 3.25Å |
| 153 | C | 54.5 | Low | 56.3 | Low | 87 Ų | 87 | 144.5 Ų | 144.5 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -70 | -21.4 | -178.9 | -54.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 154 | Q | 56.1 | Low | 55.4 | Low | 125 Ų | 125 | 142.2 Ų | 142.2 | 58% | 0.584 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -83.7 | -21.1 | 178.2 | -69.9 | -179 | -31.8 | 0 | 0 | 113 | K152 L156 K157 | K152-Q154 VanDerWaalsContact C-N 3.28Å; K152-Q154 PolarHBondContact O-N 3.34Å; Q154-L156 PolarHBondContact O-N 3.34Å; Q154-K157 PolarHBondContact O-N 3.39Å |
| 155 | A | 54 | Low | 54.7 | Low | 84 Ų | 84 | 136.6 Ų | 136.6 | 69% | 0.694 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K152 | K152-A155 PolarHBondContact O-N 3.25Š|
| 156 | L | 58.7 | Low | 53.9 | Low | 156 Ų | 156 | 140.5 Ų | 140.5 | 82% | 0.817 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 6.6 | 177.1 | -70.6 | 170.6 | 0 | 0 | 0 | 113.6 | Q154 | Q154-L156 PolarHBondContact O-N 3.34Š|
| 157 | K | 48 | Very low | 52.9 | Low | 169 Ų | 169 | 139 Ų | 139 | 74% | 0.735 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -83.1 | 121.2 | 164.9 | -69.7 | -167.7 | 174.2 | -169.4 | 0 | 108.8 | Q154 | Q154-K157 PolarHBondContact O-N 3.39Š|
| 158 | P | 47 | Very low | 51.9 | Low | 98 Ų | 98 | 136.1 Ų | 136.1 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | trans | -65.1 | 141.3 | -176.3 | 23.2 | -31.5 | 0 | 0 | 0 | 112.3 | Y160 | P158-Y160 VanDerWaalsContact C-N 3.28Å; P158-Y160 HydrophobicContact CB-CD1 4.32Å; P158-Y160 HydrophobicContact CG-CD1 4.03Å; P158-Y160 HydrophobicContact CG-CE1 4.06Å; P158-Y160 WeakPolarHBondContact O-CD1 3.34Å; P158-Y160 PolarHBondContact O-N 2.92Å | ||
| 159 | M | 50 | Low | 51.1 | Low | 156 Ų | 156 | 141.9 Ų | 141.9 | 77% | 0.768 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -78.4 | 58.8 | -171.6 | -77.9 | -72 | -158.9 | 0 | 0 | 113.9 | M162 | M159-M162 HydrophobicContact CB-CE 4.1Å; M159-M162 HydrophobicContact SD-SD 4.04Å |
| 160 | Y | 53.5 | Low | 50.2 | Low | 195 Ų | 195 | 142.9 Ų | 142.9 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | -99 | -5.7 | 175.5 | 69.9 | -93.1 | 0 | 0 | 0 | 114.5 | P158 M162 | P158-Y160 VanDerWaalsContact C-N 3.28Å; P158-Y160 HydrophobicContact CB-CD1 4.32Å; P158-Y160 HydrophobicContact CG-CD1 4.03Å; P158-Y160 HydrophobicContact CG-CE1 4.06Å; P158-Y160 WeakPolarHBondContact O-CD1 3.34Å; P158-Y160 PolarHBondContact O-N 2.92Å; Y160-M162 PolarHBondContact O-N 3.44Å | ||
| 161 | S | 52.3 | Low | 49.7 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 1.8 | -173.3 | -168.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 162 | M | 54.2 | Low | 49.5 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 10.8 | -168.8 | 68.8 | -170.9 | -175 | 0 | 0 | 115.3 | M159 Y160 | M159-M162 HydrophobicContact CB-CE 4.1Å; M159-M162 HydrophobicContact SD-SD 4.04Å; Y160-M162 PolarHBondContact O-N 3.44Å |
| 163 | M | 52.8 | Low | 48.8 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -119.7 | 38.9 | -173.6 | -159.4 | 66.9 | 152.3 | 0 | 0 | 112.9 | ||
| 164 | N | 51.1 | Low | 47.9 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | -136.8 | 41.1 | -177.5 | -154.2 | 106.9 | 0 | 0 | 0 | 111.9 | ||||
| 165 | G | 50 | Low | 47 | Very low | 69 Ų | 69 | 141.6 Ų | 141.6 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | -137.8 | 19.1 | -167 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 166 | L | 50.7 | Low | 46.1 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 95% | 0.948 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -133.3 | 132.2 | 168.4 | -68.8 | 175.4 | 0 | 0 | 0 | 108.3 | ||
| 167 | G | 41.2 | Very low | 44.9 | Very low | 78 Ų | 78 | 147.5 Ų | 147.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -88.9 | 159.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 168 | F | 39.7 | Very low | 44.3 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 82% | 0.82 | 78% | 0.778 | S | S | * | * | trans | -136.1 | 99.2 | 175.4 | -148.8 | -90.8 | 0 | 0 | 0 | 110.4 | H170 | F168-H170 WeakPolarHBondContact CE1-O 3.37Š| ||
| 169 | N | 42.6 | Very low | 43.5 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | -121.2 | 68.5 | 174.1 | -87.4 | -39.6 | 0 | 0 | 0 | 109.3 | ||||
| 170 | H | 37 | Very low | 42.8 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | trans | -157.7 | 132.1 | 160.4 | -147.4 | -98.7 | 0 | 0 | 0 | 111.6 | F168 | F168-H170 WeakPolarHBondContact CE1-O 3.37Š| ||
| 171 | L | 45.2 | Very low | 41.9 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | -109.8 | 144.7 | 158.7 | -169.1 | 98.4 | 0 | 0 | 0 | 106.7 | ||||
| 172 | P | 51.1 | Low | 41 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | -139 | 128.9 | 125.9 | 31.3 | -15.8 | 0 | 0 | 0 | 113.9 | |||||
| 173 | E | 35.3 | Very low | 40.1 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 70% | 0.696 | 80% | 0.797 | S | S | * | * | trans | 9 | 137 | 143.6 | -151.4 | 53.8 | -108.5 | 0 | 0 | 121.8 | ||||
| 174 | S | 34.7 | Very low | 39.3 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 55% | 0.545 | 80% | 0.798 | S | S | . | * | trans | 63 | 143.4 | 159.8 | 70.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 175 | Y | 37.2 | Very low | 38.4 | Very low | 219 Ų | 219 | 133 Ų | 133 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | cis | -145.2 | 175.2 | 28 | -88.2 | -87.5 | 0 | 0 | 0 | 113.2 | ||||
| 176 | N | 35 | Very low | 37.7 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -67.6 | 146.8 | -175.3 | -78.6 | -68 | 0 | 0 | 0 | 116.8 | ||||
| 177 | F | 35.1 | Very low | 37.9 | Very low | 205 Ų | 205 | 131.5 Ų | 131.5 | 90% | 0.899 | 79% | 0.791 | S | S | * | * | trans | -147.1 | 145 | 133.5 | -158.9 | -102.1 | 0 | 0 | 0 | 114.3 | ||||
| 178 | Q | 34.2 | Very low | 38.1 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | -56.6 | 152.1 | -174.2 | -151.9 | 92.7 | -27.1 | 0 | 0 | 116.7 | ||||
| 179 | G | 30.8 | Very low | 37.9 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | 144.4 | 93.1 | 141.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 180 | S | 36.2 | Very low | 37.3 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 95% | 0.951 | 78% | 0.783 | S | S | * | * | trans | 35.2 | 137.2 | 147.4 | -59.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 181 | G | 33.3 | Very low | 37.5 | Very low | 83 Ų | 83 | 129.4 Ų | 129.4 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -176 | -36.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 182 | G | 34.5 | Very low | 37.1 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | 72.9 | 161.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 183 | G | 34.2 | Very low | 36.5 | Very low | 71 Ų | 71 | 131.1 Ų | 131.1 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | cis | -177 | 159.1 | -7.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 184 | L | 35.7 | Very low | 36.6 | Very low | 171 Ų | 171 | 130 Ų | 130 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | 45.5 | 98.6 | 157.8 | -53.7 | 179 | 0 | 0 | 0 | 119.8 | ||||
| 185 | S | 33.1 | Very low | 36.6 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | 169.9 | 160.8 | 117.7 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 186 | C | 34.8 | Very low | 36.5 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -162.2 | 177.5 | -176.6 | 62.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 187 | P | 54.5 | Low | 36.7 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 64% | 0.643 | 82% | 0.823 | S | S | * | * | cis | -115.5 | -154.9 | -31 | 38 | -23.1 | 0 | 0 | 0 | 109.9 | ||||
| 188 | P | 45.5 | Very low | 36.6 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | -130.8 | 148.9 | 116.6 | 37.1 | -31.4 | 0 | 0 | 0 | 114.7 | |||||
| 189 | N | 35.8 | Very low | 37.1 | Very low | 150 Ų | 150 | 119 Ų | 119 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -49 | 135.2 | -172.8 | -52.1 | -24.8 | 0 | 0 | 0 | 115.7 | ||||
| 190 | G | 31.1 | Very low | 37.5 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | -93.3 | 154.1 | 146 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 191 | L | 39.3 | Very low | 37.5 | Very low | 180 Ų | 180 | 124.8 Ų | 124.8 | 94% | 0.942 | 81% | 0.812 | S | S | * | * | trans | -119.4 | 138.2 | 163 | -73.9 | 176 | 0 | 0 | 0 | 108.4 | ||||
| 192 | S | 36.9 | Very low | 37.4 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -125.3 | 137.1 | -179.4 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 193 | L | 38.8 | Very low | 37.6 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -157.9 | 97.8 | 166.6 | -157.5 | 75.6 | 0 | 0 | 0 | 104.4 | ||||
| 194 | D | 38.3 | Very low | 37.7 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 67% | 0.674 | 81% | 0.806 | S | S | * | * | 76.9 | 147.1 | 69.4 | -172.6 | -105.5 | 0 | 0 | 0 | 114.1 | |||||
| 195 | S | 35.4 | Very low | 37.8 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | 71.7 | 129.1 | 171.4 | -72.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 196 | G | 34.5 | Very low | 37.8 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 145.9 | 90.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 197 | I | 38.8 | Very low | 37.8 | Very low | 186 Ų | 186 | 128.2 Ų | 128.2 | 95% | 0.954 | 80% | 0.795 | S | S | * | * | trans | -104.2 | 138.8 | 172.1 | -68.5 | 176.5 | 0 | 0 | 0 | 110.7 | ||||
| 198 | G | 33.3 | Very low | 37.2 | Very low | 64 Ų | 64 | 131.7 Ų | 131.7 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | trans | 132.6 | 157.5 | 168 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 199 | M | 44.1 | Very low | 36.8 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | cis | -150.4 | 132.6 | 5.5 | -80.1 | -173 | -82.3 | 0 | 0 | 112.3 | ||||
| 200 | M | 40.3 | Very low | 36.7 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 18.9 | 115.2 | 149.2 | 46.7 | 175.3 | 169.6 | 0 | 0 | 121.7 | ||||
| 201 | N | 36 | Very low | 37 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | -174.2 | 147.5 | 112.5 | -114.5 | -9 | 0 | 0 | 0 | 110.9 | |||||
| 202 | G | 31.3 | Very low | 36.7 | Very low | 55 Ų | 55 | 130.1 Ų | 130.1 | 57% | 0.567 | 80% | 0.8 | S | S | * | * | cis | 128.2 | 84.2 | -7.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 203 | H | 38.8 | Very low | 36.6 | Very low | 200 Ų | 200 | 132.7 Ų | 132.7 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | trans | -166 | 163.7 | 141 | -118.4 | -85 | 0 | 0 | 0 | 111.4 | ||||
| 204 | L | 34.5 | Very low | 36.4 | Very low | 163 Ų | 163 | 130 Ų | 130 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -141.8 | 171.4 | -160.9 | -155.3 | 91.6 | 0 | 0 | 0 | 112.5 | ||||
| 205 | A | 38.8 | Very low | 36 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | 79.1 | 149.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 206 | G | 33.5 | Very low | 36.2 | Very low | 79 Ų | 79 | 131.7 Ų | 131.7 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | cis | -164 | 149 | 2.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 207 | N | 34.8 | Very low | 36.2 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | trans | -46.5 | 146.5 | 173.4 | -177.3 | 86.4 | 0 | 0 | 0 | 118.3 | E209 | N207-E209 PolarHBondContact ND2-OE1 3.01Š| ||
| 208 | M | 42.2 | Very low | 36 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -159.3 | 146.6 | 144 | -174.7 | 169.5 | 167.5 | 0 | 0 | 111.2 | ||||
| 209 | E | 37.2 | Very low | 35.8 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 66% | 0.659 | 82% | 0.822 | S | S | * | * | trans | -87.7 | 162.2 | -176.6 | -53.9 | 76.8 | -169.4 | 0 | 0 | 113.1 | N207 | N207-E209 PolarHBondContact ND2-OE1 3.01Š| ||
| 210 | G | 32.4 | Very low | 35.5 | Very low | 73 Ų | 73 | 136.3 Ų | 136.3 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | cis | 163.9 | 176.7 | -7.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 211 | M | 37.2 | Very low | 35.6 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 100% | 1 | 82% | 0.823 | S | S | * | * | trans | 68.1 | 113.9 | 161.1 | -147.2 | 168.7 | -66 | 0 | 0 | 119.7 | ||||
| 212 | G | 32.7 | Very low | 35.4 | Very low | 80 Ų | 80 | 133.6 Ų | 133.6 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -178.3 | 88.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 213 | L | 35.3 | Very low | 35.7 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -40.9 | 147.6 | -170.9 | -64.4 | 167.2 | 0 | 0 | 0 | 120.2 | ||||
| 214 | A | 34 | Very low | 35.6 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | 66.5 | 130 | 146.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 215 | G | 31.1 | Very low | 35.7 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | 155.6 | 94.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 216 | H | 38.9 | Very low | 35.5 | Very low | 201 Ų | 201 | 129 Ų | 129 | 93% | 0.931 | 81% | 0.812 | S | S | * | * | trans | -79 | 133.1 | 177.4 | -45.3 | -80.7 | 0 | 0 | 0 | 110.9 | ||||
| 217 | S | 34.8 | Very low | 35.8 | Very low | 120 Ų | 120 | 134 Ų | 134 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -144 | 131.7 | 165.5 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 218 | M | 34 | Very low | 35.9 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -123.9 | 139.8 | 170.1 | -103.5 | -71.3 | -174.1 | 0 | 0 | 107.6 | H220 | M218-H220 PolarHBondContact O-N 3.37Š| ||
| 219 | S | 30.6 | Very low | 35.6 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 122.2 | -172.4 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 220 | H | 36.6 | Very low | 35.7 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 116.6 | -179.7 | 179.2 | -98.9 | 0 | 0 | 0 | 111.7 | M218 | M218-H220 PolarHBondContact O-N 3.37Š|
| 221 | L | 43.6 | Very low | 35.8 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 137.7 | 161.9 | -74 | 76.3 | 0 | 0 | 0 | 108.9 | ||
| 222 | S | 30.6 | Very low | 35.9 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | -156.8 | 175.3 | 152.2 | -160.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 223 | A | 38.2 | Very low | 36 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | trans | -118.2 | 159 | -157.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 224 | N | 36.1 | Very low | 36.1 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | trans | 19.9 | 117 | 139.5 | 179 | 57.6 | 0 | 0 | 0 | 119.5 | ||||
| 225 | S | 37.4 | Very low | 36.1 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | 164.1 | 150.1 | 124.3 | -73.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 226 | G | 34.2 | Very low | 36.4 | Very low | 77 Ų | 77 | 132.8 Ų | 132.8 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 125.2 | 123.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 227 | H | 40.3 | Very low | 36.3 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -91.4 | 159.9 | 179.7 | -56.7 | -107.8 | 0 | 0 | 0 | 113.1 | ||||
| 228 | S | 35.7 | Very low | 36.2 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | 172.4 | 160.9 | 116.8 | -78.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 229 | Y | 37.5 | Very low | 36.1 | Very low | 201 Ų | 201 | 122.7 Ų | 122.7 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | 84.5 | 98.2 | 149.2 | -179.9 | -95.7 | 0 | 0 | 0 | 122.1 | ||||
| 230 | M | 39 | Very low | 36.1 | Very low | 157 Ų | 157 | 126.4 Ų | 126.4 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 59.8 | 141.4 | 132.6 | -58.3 | -165.9 | 79.8 | 0 | 0 | 125.5 | ||||
| 231 | G | 34.4 | Very low | 36.1 | Very low | 75 Ų | 75 | 129.4 Ų | 129.4 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 166 | 118.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 232 | S | 39.1 | Very low | 36.6 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -131.8 | 141.6 | -170.6 | -52.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 233 | C | 34.5 | Very low | 37 | Very low | 132 Ų | 132 | 129 Ų | 129 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | -160.1 | 156.8 | 151.1 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 234 | T | 37.8 | Very low | 37 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -72.4 | 170.1 | -177.1 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 235 | G | 34.7 | Very low | 36.9 | Very low | 66 Ų | 66 | 132.4 Ų | 132.4 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | cis | 155.9 | -176.7 | 2.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 236 | S | 36.1 | Very low | 36.8 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 78.1 | 110.6 | 175.2 | -53.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 237 | T | 37 | Very low | 37 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | 76.4 | 136.2 | 68.2 | 63.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 238 | G | 33.3 | Very low | 36.6 | Very low | 77 Ų | 77 | 130.2 Ų | 130.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | cis | 171.2 | 173.8 | -2.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 239 | G | 31.4 | Very low | 36.9 | Very low | 73 Ų | 73 | 130.3 Ų | 130.3 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 79 | 161.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 240 | E | 31.4 | Very low | 37.5 | Very low | 196 Ų | 196 | 126.5 Ų | 126.5 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | cis | -159.9 | 172.3 | -22.4 | -135.4 | 164.6 | 125.1 | 0 | 0 | 110.1 | ||||
| 241 | Y | 36.5 | Very low | 37.3 | Very low | 229 Ų | 229 | 126 Ų | 126 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -86.6 | 178.9 | -175.7 | -73.2 | -85.3 | 0 | 0 | 0 | 112.8 | ||||
| 242 | P | 52.6 | Low | 37.5 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | cis | -142.4 | -177.7 | 8.9 | 46.1 | -27.6 | 0 | 0 | 0 | 118.4 | ||||
| 243 | H | 40.5 | Very low | 37.2 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | trans | 43.7 | 129.2 | 148.1 | -119.1 | -84 | 0 | 0 | 0 | 123 | D245 | H243-D245 IonicContact CE1-OD2 3.37Å; H243-D245 PolarHBondContact CE1-OD2 3.26Å; H243-D245 IonicContact ND1-OD2 3.53Å | ||
| 244 | H | 38 | Very low | 37.3 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | -175.2 | 158.2 | 112.5 | -106.8 | -73.3 | 0 | 0 | 0 | 114.2 | |||||
| 245 | D | 33.2 | Very low | 37 | Very low | 124 Ų | 124 | 127 Ų | 127 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | trans | -95.3 | 168.1 | -174.3 | -58.2 | -100.8 | 0 | 0 | 0 | 115.3 | H243 | H243-D245 IonicContact CE1-OD2 3.37Å; H243-D245 PolarHBondContact CE1-OD2 3.26Å; H243-D245 IonicContact ND1-OD2 3.53Å | ||
| 246 | N | 35.5 | Very low | 36.9 | Very low | 146 Ų | 146 | 127.5 Ų | 127.5 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | 91.9 | 124.1 | 140.9 | -160.2 | 41.2 | 0 | 0 | 0 | 121.2 | ||||
| 247 | S | 39.2 | Very low | 37.1 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 26.1 | 136.7 | 151.9 | 72.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 248 | G | 32.2 | Very low | 37.2 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 143.9 | 111.8 | 135.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 249 | S | 41.3 | Very low | 37.4 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -85.7 | 148.5 | 150.3 | -48.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 250 | P | 49.3 | Very low | 38.2 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | -151 | 151 | 91.3 | 38.2 | -20.5 | 0 | 0 | 0 | 117.8 | |||||
| 251 | L | 35.6 | Very low | 38.4 | Very low | 146 Ų | 146 | 133 Ų | 133 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | 18.1 | 126.9 | 140.5 | -62.2 | 174.9 | 0 | 0 | 0 | 122.7 | ||||
| 252 | L | 37.8 | Very low | 38.8 | Very low | 156 Ų | 156 | 128 Ų | 128 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | 67 | 130 | 131.6 | -58.9 | 170.4 | 0 | 0 | 0 | 121.3 | ||||
| 253 | T | 33.6 | Very low | 37.8 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 178.5 | 168.6 | 98.4 | -164.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 254 | S | 35.8 | Very low | 37.5 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 66.6 | 143.8 | 177.4 | 74.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 255 | G | 31.4 | Very low | 37.2 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | cis | 175.9 | 142.5 | -9.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 256 | G | 33.5 | Very low | 37.2 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 176.8 | 142.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 257 | V | 39.5 | Very low | 37.4 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -131.7 | 132.3 | -167.3 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 258 | M | 40.3 | Very low | 37.1 | Very low | 183 Ų | 183 | 125.6 Ų | 125.6 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | 166.4 | 136.1 | 128 | 56.8 | -149.8 | 148.6 | 0 | 0 | 114.6 | |||||
| 259 | E | 37.2 | Very low | 37.4 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | -60.9 | 158 | 168.5 | -160.5 | 45.4 | -139.2 | 0 | 0 | 109.9 | H261 | E259-H261 PolarHBondContact OE1-N 3.32Å; E259-H261 IonicContact OE1-ND1 3.14Å | ||
| 260 | P | 48.1 | Very low | 37.1 | Very low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | cis | -151.5 | 162.3 | 44.2 | 42.7 | -21.2 | 0 | 0 | 0 | 122 | ||||
| 261 | H | 35.2 | Very low | 36.5 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 54.5 | 116.5 | 145.1 | -63 | -28.8 | 0 | 0 | 0 | 121 | E259 | E259-H261 PolarHBondContact OE1-N 3.32Å; E259-H261 IonicContact OE1-ND1 3.14Å | ||
| 262 | P | 45.5 | Very low | 36.4 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -97.2 | 144.3 | 169.3 | 36.4 | -31.8 | 0 | 0 | 0 | 114.1 | ||||
| 263 | V | 32 | Very low | 37.1 | Very low | 137 Ų | 137 | 132 Ų | 132 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -138.2 | 142.4 | 167.2 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 264 | Y | 33.3 | Very low | 37.1 | Very low | 207 Ų | 207 | 131.8 Ų | 131.8 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | 80.1 | 90.2 | 167 | -124.6 | -99.4 | 0 | 0 | 0 | 121.3 | ||||
| 265 | S | 32.1 | Very low | 37 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | 31.5 | 113.8 | 121.6 | -52 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 266 | S | 33.1 | Very low | 37.1 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | 168.5 | 154.3 | 124.8 | 46.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 267 | S | 38.9 | Very low | 37.2 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | cis | -157.5 | 128.9 | -27.8 | 51.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 268 | A | 34 | Very low | 37.1 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | -117.2 | 123.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 269 | W | 38.1 | Very low | 36.9 | Very low | 231 Ų | 231 | 134.5 Ų | 134.5 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | trans | -114.7 | 100.1 | -175.4 | 35.1 | -75.6 | 0 | 0 | 0 | 111.3 | ||||
| 270 | A | 35.5 | Very low | 36.6 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -111.2 | 138.9 | 168 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 271 | Q | 35 | Very low | 36 | Very low | 193 Ų | 193 | 129.1 Ų | 129.1 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -116.8 | 123.7 | 180 | -65.9 | -175.5 | 7.9 | 0 | 0 | 111.6 | ||||
| 272 | A | 34.2 | Very low | 36.1 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -151.6 | 146.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 273 | P | 52 | Low | 35.7 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | trans | -97.4 | 159.8 | -163 | 37.2 | -36.6 | 0 | 0 | 0 | 114.8 | ||||
| 274 | S | 34 | Very low | 36.2 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -140.6 | 162.9 | 161 | 59 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 275 | S | 34.2 | Very low | 36.4 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -120.2 | 156.5 | -169.3 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 276 | S | 33.3 | Very low | 36.7 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | 155.3 | 149.7 | 121.8 | 59.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 277 | L | 34.8 | Very low | 37.2 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 60.2 | 118.3 | 151.7 | -64.1 | 158.7 | 0 | 0 | 0 | 119.6 | ||||
| 278 | N | 37.3 | Very low | 37.7 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | 98.7 | 146.9 | 73.9 | -143.1 | 18.4 | 0 | 0 | 0 | 110.6 | |||||
| 279 | N | 36.3 | Very low | 37.9 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | cis | -157.5 | 168.5 | 18.5 | -174.2 | 22.2 | 0 | 0 | 0 | 112.6 | ||||
| 280 | G | 31.3 | Very low | 38 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | 121.4 | 129.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 281 | G | 35.5 | Very low | 39.1 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | cis | 115.6 | 127.2 | 16.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 282 | S | 36.7 | Very low | 38.9 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | -164.4 | 148.6 | 3.9 | -60.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 283 | Y | 37.2 | Very low | 39.1 | Very low | 238 Ų | 238 | 135.1 Ų | 135.1 | 93% | 0.933 | 79% | 0.786 | S | S | * | * | trans | -167.2 | 165.9 | 138.5 | 59.6 | -99.6 | 0 | 0 | 0 | 114.8 | ||||
| 284 | I | 42.2 | Very low | 39.3 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -96.8 | 141.9 | -154.5 | -70.7 | 143.2 | 0 | 0 | 0 | 114.2 | ||||
| 285 | K | 38.1 | Very low | 39.2 | Very low | 209 Ų | 209 | 132.2 Ų | 132.2 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | -157.2 | 148.3 | 125.4 | -148.9 | 164 | -179.2 | 177.1 | 0 | 115.1 | |||||
| 286 | Q | 38.6 | Very low | 39.3 | Very low | 163 Ų | 163 | 132 Ų | 132 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -86.1 | 173.1 | -179.4 | -86 | 179.3 | 4.6 | 0 | 0 | 112.6 | ||||
| 287 | Q | 42.9 | Very low | 39.5 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -159.1 | -161.7 | 9.4 | -116.9 | -69.8 | 37.6 | 0 | 0 | 108.7 | ||||
| 288 | P | 51.4 | Low | 40.6 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 58% | 0.578 | 78% | 0.784 | S | S | * | * | trans | -125.3 | -179.1 | -130.1 | 49.3 | -36.6 | 0 | 0 | 0 | 119.9 | ||||
| 289 | L | 36.4 | Very low | 40.4 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 23.5 | 149.3 | 136.1 | -54.4 | 165.5 | 0 | 0 | 0 | 121.3 | ||||
| 290 | S | 40.7 | Very low | 40.6 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | cis | -156 | -116.7 | -14.8 | -84.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 291 | P | 58.7 | Low | 41.6 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -130.5 | 153.3 | -135.9 | 39.4 | -19 | 0 | 0 | 0 | 118.7 | ||||
| 292 | C | 31.3 | Very low | 41.5 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 91% | 0.905 | 79% | 0.792 | S | S | * | * | trans | -159.4 | 148.5 | 160.4 | 59.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 293 | N | 37.5 | Very low | 41.8 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -164.2 | 164.6 | 164.7 | -152.4 | 29.3 | 0 | 0 | 0 | 104.8 | ||||
| 294 | P | 56.8 | Low | 42.7 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | cis | -129 | -172.3 | 2.4 | 43.2 | -26.3 | 0 | 0 | 0 | 114.5 | ||||
| 295 | G | 32.3 | Very low | 42.4 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -166.7 | 141.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 296 | A | 35 | Very low | 42.2 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -81.9 | 164.1 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 297 | N | 38.3 | Very low | 42 | Very low | 156 Ų | 156 | 127 Ų | 127 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -68 | 178.8 | 160.5 | -104.8 | -46.3 | 0 | 0 | 0 | 112.2 | ||||
| 298 | P | 57.2 | Low | 41.9 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | cis | -131.6 | -177.1 | -5.2 | 38.6 | -21.2 | 0 | 0 | 0 | 114.6 | ||||
| 299 | L | 34.9 | Very low | 41.2 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | 179.6 | 152.9 | 121.9 | -96.3 | 166.5 | 0 | 0 | 0 | 114.4 | |||||
| 300 | Q | 39.1 | Very low | 41.2 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | -110.9 | 177.5 | 168 | -88.6 | -93.6 | -39.2 | 0 | 0 | 107.6 | ||||
| 301 | P | 52.1 | Low | 40.9 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | cis | -144.8 | -178.6 | 21.5 | 44 | -25 | 0 | 0 | 0 | 117.2 | ||||
| 302 | S | 33.5 | Very low | 39.6 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | 172.2 | 152 | 124.7 | 42.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 303 | L | 44.1 | Very low | 39.7 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | trans | -133.8 | -171.5 | 177.7 | -84.9 | 176.2 | 0 | 0 | 0 | 107.3 | ||||
| 304 | P | 55.2 | Low | 39.7 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | cis | -120 | -140.6 | 1.9 | 22.9 | 4.8 | 0 | 0 | 0 | 111.9 | ||||
| 305 | T | 35.5 | Very low | 38.6 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 66% | 0.656 | 74% | 0.735 | S | S | * | * | cis | -164.5 | 172.7 | 13.1 | -28.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 306 | H | 33.8 | Very low | 38.6 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | 77.6 | 144.1 | 162.5 | -76.4 | -87 | 0 | 0 | 0 | 120.3 | ||||
| 307 | S | 35.3 | Very low | 38.4 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 58% | 0.58 | 73% | 0.729 | S | S | * | * | cis | -173.2 | 140.4 | -34.6 | -168.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 308 | L | 41.3 | Very low | 38.3 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 90% | 0.895 | 73% | 0.733 | S | S | * | * | -163.1 | 141.7 | 127.5 | -150.5 | 72.6 | 0 | 0 | 0 | 112.9 | |||||
| 309 | D | 37.2 | Very low | 37.1 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 61% | 0.61 | 74% | 0.74 | S | S | * | * | trans | -76.7 | 175.2 | 173.6 | -76.8 | -78.8 | 0 | 0 | 0 | 114.3 | ||||
| 310 | Q | 36.3 | Very low | 37.1 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 61% | 0.607 | 74% | 0.737 | S | S | * | * | cis | -178.8 | -173.1 | -25.8 | -169.7 | -175.1 | 110.3 | 0 | 0 | 107.3 | ||||
| 311 | Y | 32.5 | Very low | 36.8 | Very low | 188 Ų | 188 | 133.4 Ų | 133.4 | 74% | 0.737 | 73% | 0.734 | S | S | * | * | trans | 88.2 | 111.2 | 171.6 | -74.6 | -104.9 | 0 | 0 | 0 | 115.9 | ||||
| 312 | N | 31.4 | Very low | 36 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 58% | 0.578 | 74% | 0.736 | S | S | * | * | 84.8 | 139.3 | 60.9 | -72.2 | -37.9 | 0 | 0 | 0 | 111.5 | |||||
| 313 | L | 35.3 | Very low | 36.3 | Very low | 139 Ų | 139 | 136 Ų | 136 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | cis | -154.5 | 165.5 | 12.1 | -154.1 | 69.7 | 0 | 0 | 0 | 112.9 | ||||
| 314 | H | 37 | Very low | 35.9 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 72% | 0.718 | 73% | 0.733 | S | S | * | * | trans | -23 | 164.5 | 152.7 | -59.5 | 104 | 0 | 0 | 0 | 119 | ||||
| 315 | Q | 34.3 | Very low | 34.9 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 65% | 0.654 | 74% | 0.739 | S | S | * | * | cis | -170.4 | 168 | 3.7 | -113.7 | -81.6 | 51.5 | 0 | 0 | 112.1 | ||||
| 316 | N | 30.7 | Very low | 35 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | 38.3 | 146.9 | 150.1 | -81.5 | -22 | 0 | 0 | 0 | 124.8 | ||||
| 317 | G | 32.3 | Very low | 35.6 | Very low | 75 Ų | 75 | 135.9 Ų | 135.9 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | 153.6 | 119.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 318 | H | 36.2 | Very low | 35.5 | Very low | 197 Ų | 197 | 142.3 Ų | 142.3 | 91% | 0.912 | 76% | 0.757 | S | S | * | * | trans | -76.3 | 165.1 | 166.8 | -51.7 | -67 | 0 | 0 | 0 | 110.7 | ||||
| 319 | S | 31.7 | Very low | 35.2 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | cis | -166.7 | -170.5 | 37.1 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 320 | N | 33.6 | Very low | 35.3 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -61.3 | 167.2 | 167.3 | -73.9 | -48.4 | 0 | 0 | 0 | 112.5 | ||||
| 321 | T | 34.6 | Very low | 35.1 | Very low | 118 Ų | 118 | 145 Ų | 145 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | cis | -156.5 | 162.8 | 29.4 | -33.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 322 | D | 34.5 | Very low | 35.1 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 96 | 153 | 142.2 | -105.3 | -51.6 | 0 | 0 | 0 | 124.7 | ||||
| 323 | L | 39 | Very low | 35.3 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 71% | 0.707 | 78% | 0.783 | S | S | * | * | trans | 65.6 | 101.2 | 169 | -96.2 | 66.8 | 0 | 0 | 0 | 123.2 | ||||
| 324 | Q | 36.9 | Very low | 35.6 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | 59 | 118 | 129 | -63.7 | 179.3 | 1 | 0 | 0 | 122.1 | |||||
| 325 | G | 33.3 | Very low | 35.7 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 176.9 | 74.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 326 | I | 37.4 | Very low | 35.9 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | 18.9 | 134 | 160.6 | -64.4 | -179.1 | 0 | 0 | 0 | 120.2 | ||||
| 327 | P | 46.4 | Very low | 36.2 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 166.3 | -156.1 | 36.9 | -39.8 | 0 | 0 | 0 | 118.3 | ||
| 328 | R | 34.5 | Very low | 36.5 | Very low | 218 Ų | 218 | 146 Ų | 146 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 149.7 | 163.2 | -82.4 | -178.7 | 163.4 | 118 | -6.4 | 113.1 | ||
| 329 | Y | 34.6 | Very low | 36.6 | Very low | 216 Ų | 216 | 148.1 Ų | 148.1 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 137.4 | 146.3 | -89.2 | -89.3 | 0 | 0 | 0 | 111.6 | ||
| 330 | H | 39.8 | Very low | 36.9 | Very low | 156 Ų | 156 | 150.3 Ų | 150.3 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -147.7 | 113.3 | 171.6 | -118.4 | 55.3 | 0 | 0 | 0 | 107.7 | ||||
| 331 | S | 30.7 | Very low | 37.2 | Very low | 101 Ų | 101 | 149.8 Ų | 149.8 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -149.9 | 107.3 | 177.5 | -48.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 332 | Q | 32.6 | Very low | 37.2 | Very low | 186 Ų | 186 | 153.5 Ų | 153.5 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | 50.7 | 121.1 | 51.3 | -69.5 | -160.3 | 4.9 | 0 | 0 | 113.3 | |||||
| 333 | S | 35.3 | Very low | 37.5 | Very low | 116 Ų | 116 | 152.5 Ų | 152.5 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 142.6 | -174 | 40.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 334 | P | 42.8 | Very low | 37.6 | Very low | 116 Ų | 116 | 155 Ų | 155 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 130.8 | -179.3 | 32.1 | -33.3 | 0 | 0 | 0 | 112.1 | ||
| 335 | S | 39.3 | Very low | 37.3 | Very low | 116 Ų | 116 | 151.2 Ų | 151.2 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84 | 134.5 | 158.7 | 51.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 336 | M | 37.6 | Very low | 37.5 | Very low | 172 Ų | 172 | 157.1 Ų | 157.1 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -132.2 | 116.2 | 176.8 | -67 | -70.6 | -97.4 | 0 | 0 | 109.5 | ||||
| 337 | C | 37.3 | Very low | 37.3 | Very low | 123 Ų | 123 | 156.6 Ų | 156.6 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -111.2 | 158.4 | 164.3 | -71.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 338 | D | 38.1 | Very low | 36.7 | Very low | 140 Ų | 140 | 155.3 Ų | 155.3 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | 57.3 | 95 | 170.1 | -96 | -77.3 | 0 | 0 | 0 | 118.9 | ||||
| 339 | R | 38.8 | Very low | 36.7 | Very low | 242 Ų | 242 | 153.5 Ų | 153.5 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | -146.2 | 141.2 | 120.1 | -144.9 | 144 | -63.9 | -177.7 | 1.6 | 114.8 | |||||
| 340 | K | 37.1 | Very low | 36.7 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -55.8 | 170.2 | 173.2 | -87.5 | -179.6 | 164 | -174.9 | 0 | 116.3 | ||||
| 341 | E | 40.5 | Very low | 36.5 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | 56.8 | 98.3 | 160.2 | -55 | -28.6 | 121 | 0 | 0 | 118.3 | ||||
| 342 | F | 33.9 | Very low | 36.6 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -143 | 84 | 143.2 | -88.2 | -68 | 0 | 0 | 0 | 110.7 | F344 | F342-F344 HydrophobicContact CD1-CD2 4.28Š| ||
| 343 | V | 42.4 | Very low | 36.7 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | trans | -93 | 121 | 155.2 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 344 | F | 39.6 | Very low | 36.9 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | -132.9 | 118.7 | 164 | -104 | -81.3 | 0 | 0 | 0 | 110.9 | F342 | F342-F344 HydrophobicContact CD1-CD2 4.28Š| ||
| 345 | S | 32.1 | Very low | 36.5 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -71.5 | 141.3 | 177.5 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 346 | F | 36 | Very low | 36.3 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -105.2 | 103.3 | 172.8 | -163.5 | -85.7 | 0 | 0 | 0 | 110 | ||||
| 347 | N | 34.5 | Very low | 36.9 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -167.7 | 158.7 | 164.6 | -111.1 | -30 | 0 | 0 | 0 | 112.7 | ||||
| 348 | A | 33.4 | Very low | 36.7 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | 69.9 | 101.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 349 | M | 35 | Very low | 36.6 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | 172.5 | 113 | 125 | -91.1 | -176.6 | -64.5 | 0 | 0 | 106.1 | |||||
| 350 | T | 34 | Very low | 36.3 | Very low | 120 Ų | 120 | 135 Ų | 135 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | cis | 97.7 | 123.5 | 33.2 | -152.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 351 | S | 34.5 | Very low | 36.2 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 68.6 | 149.3 | 167.6 | -39.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 352 | S | 33.2 | Very low | 36 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | cis | -145 | 134 | 9.2 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 353 | T | 35.5 | Very low | 36.3 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | 24.6 | 126.9 | 127.5 | -47.1 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 354 | M | 39.1 | Very low | 36.1 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | -159.7 | 170 | 124.3 | -96.6 | -44.9 | 157.7 | 0 | 0 | 112.7 | |||||
| 355 | H | 35.2 | Very low | 36 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -129.6 | 169.3 | -162.2 | -73.8 | -79 | 0 | 0 | 0 | 111.6 | ||||
| 356 | S | 35.2 | Very low | 36 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | cis | 176.3 | 179.6 | -20.5 | -83.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 357 | P | 50 | Low | 36.1 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | cis | -117.1 | -123.3 | -5.6 | 27 | -0.8 | 0 | 0 | 0 | 109.2 | ||||
| 358 | S | 32.4 | Very low | 36.3 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | cis | -168.3 | 130 | -11 | 30.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 359 | S | 35.3 | Very low | 36.6 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 92% | 0.923 | 76% | 0.756 | S | S | * | * | trans | -175.5 | 148.3 | 139.3 | -87.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 360 | S | 32.7 | Very low | 36.8 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | trans | -85.4 | 143.9 | -168.8 | -176.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 361 | S | 35.1 | Very low | 37 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -158.3 | 128.7 | 138.3 | -82 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 362 | Y | 36.3 | Very low | 37.5 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | trans | -82.4 | 149 | 171.4 | -76.4 | -111.6 | 0 | 0 | 0 | 110.1 | ||||
| 363 | Y | 40.8 | Very low | 38.2 | Very low | 240 Ų | 240 | 144.4 Ų | 144.4 | 94% | 0.941 | 76% | 0.76 | S | S | * | * | -163.3 | 163.3 | 116.3 | -101.3 | -64.5 | 0 | 0 | 0 | 110.8 | |||||
| 364 | H | 38.4 | Very low | 38.8 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | trans | -92.5 | 141.5 | -154 | -147.4 | -80.8 | 0 | 0 | 0 | 113.8 | ||||
| 365 | H | 36.5 | Very low | 39.6 | Very low | 140 Ų | 140 | 145 Ų | 145 | 65% | 0.648 | 76% | 0.761 | S | S | * | * | trans | -81.8 | 135.2 | 166.9 | -177.1 | 48.4 | 0 | 0 | 0 | 109.6 | Q367 | H365-Q367 WeakPolarHBondContact NE2-CG 3.37Å; H365-Q367 PolarHBondContact NE2-NE2 3.37Å | ||
| 366 | Q | 33.9 | Very low | 40.1 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | trans | -135.5 | 112.2 | 170.2 | -175.5 | 62.6 | 62.9 | 0 | 0 | 109.2 | V368 | Q366-V368 HydrophobicContact CG-CG2 4.28Š| ||
| 367 | Q | 37 | Very low | 40.8 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -81 | 143.8 | 166.2 | -62.4 | -178.7 | -4.8 | 0 | 0 | 109 | H365 | H365-Q367 WeakPolarHBondContact NE2-CG 3.37Å; H365-Q367 PolarHBondContact NE2-NE2 3.37Å | ||
| 368 | V | 39.2 | Very low | 41 | Very low | 124 Ų | 124 | 152.4 Ų | 152.4 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -133.4 | 130.2 | 166.5 | -176 | 0 | 0 | 0 | 0 | 107.1 | Q366 | Q366-V368 HydrophobicContact CG-CG2 4.28Š| ||
| 369 | A | 39.8 | Very low | 41.4 | Very low | 90 Ų | 90 | 155.2 Ų | 155.2 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | -76.4 | 141.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 370 | Y | 39.1 | Very low | 41.7 | Very low | 233 Ų | 233 | 156.4 Ų | 156.4 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | trans | -72.8 | 132.6 | 163.7 | -88.9 | -98.7 | 0 | 0 | 0 | 109.6 | ||||
| 371 | Q | 38.3 | Very low | 42.2 | Very low | 167 Ų | 167 | 159.9 Ų | 159.9 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | -112.9 | 148 | 168 | -84.9 | -73.7 | 22.6 | 0 | 0 | 110.4 | ||||
| 372 | D | 43.6 | Very low | 42.6 | Very low | 128 Ų | 128 | 162.1 Ų | 162.1 | 68% | 0.684 | 81% | 0.806 | S | S | * | * | trans | -74.3 | 122.1 | -179.5 | -174.4 | -23.2 | 0 | 0 | 0 | 110.4 | ||||
| 373 | I | 49.3 | Very low | 43 | Very low | 155 Ų | 155 | 159.7 Ų | 159.7 | 80% | 0.795 | 81% | 0.807 | S | S | * | * | trans | -128.6 | 109.5 | 173.4 | -58.8 | 179.5 | 0 | 0 | 0 | 108.2 | ||||
| 374 | K | 47.3 | Very low | 43.2 | Very low | 166 Ų | 166 | 154.3 Ų | 154.3 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 141.4 | 177.1 | -62.3 | 170.5 | -175 | 171.5 | 0 | 110.3 | C376 | K374-C376 PolarHBondContact O-N 2.76Š|
| 375 | P | 56.7 | Low | 43.5 | Very low | 125 Ų | 125 | 153.3 Ų | 153.3 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 119.9 | 176 | 28.8 | -33.3 | 0 | 0 | 0 | 110.7 | ||
| 376 | C | 45.9 | Very low | 44.1 | Very low | 127 Ų | 127 | 154.3 Ų | 154.3 | 86% | 0.858 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 141.2 | 163.2 | -70.2 | 0 | 0 | 0 | 0 | 109.9 | K374 | K374-C376 PolarHBondContact O-N 2.76Š|
| 377 | V | 49.7 | Very low | 44.9 | Very low | 138 Ų | 138 | 154.8 Ų | 154.8 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 139.7 | 174.7 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 378 | M | 53.2 | Low | 45.6 | Very low | 256 Ų | 256 | 155.4 Ų | 155.4 | 100% | 1.261 | 83% | 0.833 | S | S | * | * | trans | -135.8 | 0 | 154.2 | -70.3 | -171.5 | -179.5 | 0 | 0 | 107.9 |
Retrieved 378 of 378 residues in 181.9 ms
(Link to these results)