| 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 | 38.2 | Very low | 48.6 | Very low | 244 Ų | 244 | 172.2 Ų | 172.2 | 100% | 1.202 | 85% | 0.846 | S | S | * | * | 0 | 94.8 | 0 | -60.2 | -166.4 | -152.5 | 0 | 0 | 106.8 | |||||
| 2 | E | 39.7 | Very low | 48.4 | Very low | 185 Ų | 185 | 166.3 Ų | 166.3 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | trans | -112.1 | 105.9 | 178.7 | -113.3 | 177.3 | 167.6 | 0 | 0 | 108.2 | V4 | E2-V4 PolarHBondContact O-N 3.34Å; E2-V4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | N | 43.4 | Very low | 48.7 | Very low | 165 Ų | 165 | 162.2 Ų | 162.2 | 88% | 0.882 | 83% | 0.831 | S | S | * | * | trans | -69.6 | 101 | 172.1 | -75.4 | -23.1 | 0 | 0 | 0 | 107.5 | G5 | N3-G5 PolarHBondContact O-N 3.37Š| ||
| 4 | V | 50.6 | Low | 48.6 | Very low | 122 Ų | 122 | 156.2 Ų | 156.2 | 74% | 0.739 | 82% | 0.818 | S | S | * | * | trans | -71.9 | 83 | 173.2 | -167.3 | 0 | 0 | 0 | 0 | 107.6 | E2 Y6 | E2-V4 PolarHBondContact O-N 3.34Å; E2-V4 VanDerWaalsContact O-N 3.09Å; V4-Y6 PolarHBondContact O-N 3.39Å | ||
| 5 | G | 45.2 | Very low | 48 | Very low | 63 Ų | 63 | 153.9 Ų | 153.9 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | trans | -65.8 | 114.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | N3 K7 | N3-G5 PolarHBondContact O-N 3.37Å; G5-K7 PolarHBondContact O-N 3.35Å; G5-K7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | Y | 54.9 | Low | 47.6 | Very low | 224 Ų | 224 | 158.1 Ų | 158.1 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | -64.6 | 110.3 | 170.4 | -70.2 | -85.1 | 0 | 0 | 0 | 108.7 | V4 K8 | V4-Y6 PolarHBondContact O-N 3.39Å; Y6-K8 PolarHBondContact O-N 3.24Å | ||
| 7 | K | 47.7 | Very low | 47.3 | Very low | 189 Ų | 189 | 155.8 Ų | 155.8 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -61.3 | 122.7 | 172.5 | -81 | 179.6 | 172.8 | 175.7 | 0 | 108.6 | G5 E9 | G5-K7 PolarHBondContact O-N 3.35Å; G5-K7 VanDerWaalsContact O-N 3.1Å; K7-E9 VanDerWaalsContact C-N 3.31Å; K7-E9 PolarHBondContact O-N 3.11Å | ||
| 8 | K | 55.8 | Low | 47.2 | Very low | 195 Ų | 195 | 152.5 Ų | 152.5 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -64.7 | 93.7 | 166.2 | -84.4 | -178.6 | 173.8 | 178.5 | 0 | 108 | Y6 N10 | Y6-K8 PolarHBondContact O-N 3.24Å; K8-N10 PolarHBondContact O-N 3.45Å | ||
| 9 | E | 59.9 | Low | 47.1 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 72% | 0.72 | 83% | 0.826 | S | S | * | * | trans | -71.3 | 111.8 | 167.5 | -67.9 | -174.2 | 177.8 | 0 | 0 | 107.4 | K7 F11 | K7-E9 VanDerWaalsContact C-N 3.31Å; K7-E9 PolarHBondContact O-N 3.11Å; E9-F11 WeakPolarHBondContact O-CD2 3.47Å; E9-F11 PolarHBondContact O-N 3.18Å | ||
| 10 | N | 54.7 | Low | 46.9 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -63.4 | 104 | 176.1 | -66.4 | -33.7 | 0 | 0 | 0 | 107.7 | K8 S12 | K8-N10 PolarHBondContact O-N 3.45Å; N10-S12 PolarHBondContact O-N 3.47Å | ||
| 11 | F | 43.9 | Very low | 46.8 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -63 | 87.3 | 171.7 | -70.8 | -83 | 0 | 0 | 0 | 109.1 | E9 S13 | E9-F11 WeakPolarHBondContact O-CD2 3.47Å; E9-F11 PolarHBondContact O-N 3.18Å; F11-S13 PolarHBondContact O-N 3.32Å; F11-S13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | S | 46.7 | Very low | 47.2 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -66.9 | 108.1 | 164.6 | -175.3 | 0 | 0 | 0 | 0 | 107.1 | N10 A14 | N10-S12 PolarHBondContact O-N 3.47Å; S12-A14 PolarHBondContact O-N 2.86Å | ||
| 13 | S | 51.8 | Low | 47.4 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 16.7 | -175.3 | 49.8 | 0 | 0 | 0 | 0 | 114.5 | F11 | F11-S13 PolarHBondContact O-N 3.32Å; F11-S13 VanDerWaalsContact O-N 3.13Å |
| 14 | A | 47.2 | Very low | 47.7 | Very low | 79 Ų | 79 | 142.6 Ų | 142.6 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -4.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S12 R16 | S12-A14 PolarHBondContact O-N 2.86Å; A14-R16 PolarHBondContact O-N 2.78Å |
| 15 | S | 40.6 | Very low | 47.3 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -105.5 | 63.6 | 176.3 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 16 | R | 41.1 | Very low | 47.1 | Very low | 221 Ų | 221 | 149.9 Ų | 149.9 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -62.2 | 150 | 159.3 | -61.1 | 171.3 | 98 | 176.4 | 5 | 107.9 | A14 | A14-R16 PolarHBondContact O-N 2.78Š| ||
| 17 | S | 42.9 | Very low | 46.7 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 69.4 | 87.4 | 169.7 | 64.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 18 | A | 45.3 | Very low | 46.3 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -156.8 | 88.3 | 133.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S20 | A18-S20 PolarHBondContact O-N 2.83Š| ||
| 19 | L | 45.2 | Very low | 45.8 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 93% | 0.927 | 79% | 0.79 | S | S | * | * | trans | -59.7 | 88.7 | 162.7 | -81.3 | 151.6 | 0 | 0 | 0 | 107.5 | K21 | L19-K21 PolarHBondContact O-N 2.85Š| ||
| 20 | S | 43.7 | Very low | 45 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 58% | 0.58 | 80% | 0.799 | S | S | * | * | trans | -62.3 | 114.3 | 172.5 | 173.2 | 0 | 0 | 0 | 0 | 107.9 | A18 H22 | A18-S20 PolarHBondContact O-N 2.83Å; S20-H22 PolarHBondContact O-N 3.43Å; S20-H22 PolarHBondContact OG-CD2 3.43Å | ||
| 21 | K | 45.2 | Very low | 44.3 | Very low | 205 Ų | 205 | 136.8 Ų | 136.8 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -69.6 | 13.2 | 176.7 | -66.6 | -172.6 | 178.3 | -179 | 0 | 113.3 | L19 S23 | L19-K21 PolarHBondContact O-N 2.85Å; K21-S23 PolarHBondContact O-N 3.22Å | ||
| 22 | H | 45.3 | Very low | 44.4 | Very low | 162 Ų | 162 | 139 Ų | 139 | 75% | 0.75 | 79% | 0.794 | S | S | * | * | trans | -78.5 | 95 | 176 | -63.2 | -44.4 | 0 | 0 | 0 | 109.2 | S20 | S20-H22 PolarHBondContact O-N 3.43Å; S20-H22 PolarHBondContact OG-CD2 3.43Å | ||
| 23 | S | 45 | Very low | 44.4 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | trans | -44.8 | 136.4 | 167 | 58.8 | 0 | 0 | 0 | 0 | 110.2 | K21 T25 | K21-S23 PolarHBondContact O-N 3.22Å; S23-T25 PolarHBondContact O-N 3.31Å | ||
| 24 | P | 48.3 | Very low | 44.3 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -59 | 112.2 | -178.2 | 23.6 | -31.3 | 0 | 0 | 0 | 109 | K26 | P24-K26 PolarHBondContact O-N 3.39Š| ||
| 25 | T | 43.2 | Very low | 44.3 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | trans | -54.6 | 124 | 167.5 | 32.3 | 0 | 0 | 0 | 0 | 107.5 | S23 T27 | S23-T25 PolarHBondContact O-N 3.31Å; T25-T27 PolarHBondContact O-N 2.99Å | ||
| 26 | K | 40.1 | Very low | 44.7 | Very low | 213 Ų | 213 | 153 Ų | 153 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | trans | -39.3 | 94.4 | 178.3 | -67.1 | 171.3 | 176.9 | 176.7 | 0 | 111.7 | P24 G28 | P24-K26 PolarHBondContact O-N 3.39Å; K26-G28 PolarHBondContact O-N 3.5Å | ||
| 27 | T | 47.4 | Very low | 45.2 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -80.5 | 100.8 | 159.9 | 47.2 | 0 | 0 | 0 | 0 | 106.3 | T25 S29 | T25-T27 PolarHBondContact O-N 2.99Å; T27-S29 PolarHBondContact O-N 3.06Å | ||
| 28 | G | 38.5 | Very low | 45.4 | Very low | 88 Ų | 88 | 149.2 Ų | 149.2 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -68.6 | 49.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K26 | K26-G28 PolarHBondContact O-N 3.5Š| ||
| 29 | S | 46.2 | Very low | 45.6 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -97.6 | 100.6 | 171.8 | -170.6 | 0 | 0 | 0 | 0 | 109.1 | T27 A31 | T27-S29 PolarHBondContact O-N 3.06Å; S29-A31 PolarHBondContact O-N 2.98Å | ||
| 30 | R | 42 | Very low | 45.8 | Very low | 239 Ų | 239 | 145.7 Ų | 145.7 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -3.9 | 103.4 | 161.6 | -165.5 | 172.8 | -170.4 | 156.7 | 0.1 | 113.3 | R32 | R30-R32 PolarHBondContact O-N 3.34Š| ||
| 31 | A | 41.2 | Very low | 45.5 | Very low | 80 Ų | 80 | 149.2 Ų | 149.2 | 66% | 0.661 | 80% | 0.804 | S | S | * | * | trans | -34 | 109.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S29 R33 | S29-A31 PolarHBondContact O-N 2.98Å; A31-R33 HydrophobicContact CB-CG 4.17Å; A31-R33 PolarHBondContact O-N 3Å | ||
| 32 | R | 44.8 | Very low | 45.4 | Very low | 246 Ų | 246 | 147.5 Ų | 147.5 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | trans | -64.7 | 86.5 | 138.1 | -76.1 | -177.1 | 164.4 | -179.7 | -5.1 | 105.6 | R30 G34 | R30-R32 PolarHBondContact O-N 3.34Å; R32-G34 PolarHBondContact O-N 3.22Å | ||
| 33 | R | 46.6 | Very low | 45.2 | Very low | 242 Ų | 242 | 144.6 Ų | 144.6 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | 109.1 | 163.9 | -77.8 | -179.1 | 174.9 | 179 | -1.8 | 105.7 | A31 | A31-R33 HydrophobicContact CB-CG 4.17Å; A31-R33 PolarHBondContact O-N 3Å |
| 34 | G | 49.6 | Very low | 44.7 | Very low | 64 Ų | 64 | 143.4 Ų | 143.4 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 177.8 | -55.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R32 | R32-G34 PolarHBondContact O-N 3.22Š|
| 35 | L | 48.5 | Very low | 44.1 | Very low | 169 Ų | 169 | 143 Ų | 143 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -137.7 | 105.2 | -166.5 | -64.2 | 169.9 | 0 | 0 | 0 | 110.7 | P37 | L35-P37 WeakPolarHBondContact O-CD 3.46Š| ||
| 36 | R | 48.9 | Very low | 43.8 | Very low | 235 Ų | 235 | 142.1 Ų | 142.1 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -73.1 | 123.6 | 162.5 | -77.3 | -177.9 | 178.3 | 175 | -0 | 107 | V38 | R36-V38 PolarHBondContact O-N 2.88Š| ||
| 37 | P | 51.1 | Low | 43.9 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -67.4 | 105.8 | 167.8 | 25.4 | -29.3 | 0 | 0 | 0 | 108.1 | L35 S39 | L35-P37 WeakPolarHBondContact O-CD 3.46Å; P37-S39 PolarHBondContact O-N 3.03Å | ||
| 38 | V | 48.2 | Very low | 43.6 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | -79.3 | 104.2 | 171.1 | -176.3 | 0 | 0 | 0 | 0 | 106.4 | R36 C40 | R36-V38 PolarHBondContact O-N 2.88Å; V38-C40 PolarHBondContact O-N 3.27Å; V38-C40 VanDerWaalsContact O-N 3.14Å | ||
| 39 | S | 49.5 | Very low | 43.9 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | -63.6 | 108.8 | 171.2 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | P37 N41 | P37-S39 PolarHBondContact O-N 3.03Å; S39-N41 PolarHBondContact O-N 3.4Å | ||
| 40 | C | 48.1 | Very low | 43.9 | Very low | 103 Ų | 103 | 144 Ų | 144 | 70% | 0.696 | 80% | 0.797 | S | S | * | * | trans | -72.5 | 108.4 | 167.9 | 44.1 | 0 | 0 | 0 | 0 | 108.7 | V38 L42 | V38-C40 PolarHBondContact O-N 3.27Å; V38-C40 VanDerWaalsContact O-N 3.14Å; C40-L42 VanDerWaalsContact C-N 3.32Å; C40-L42 PolarHBondContact O-N 3.4Å | ||
| 41 | N | 37.5 | Very low | 44.2 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -70 | 94.4 | 168.3 | -76 | -31.3 | 0 | 0 | 0 | 108.2 | S39 A43 | S39-N41 PolarHBondContact O-N 3.4Å; N41-A43 PolarHBondContact O-N 2.81Å | ||
| 42 | L | 43.7 | Very low | 44.4 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -62.6 | 91.5 | 168.7 | -76.9 | 144.8 | 0 | 0 | 0 | 110.2 | C40 | C40-L42 VanDerWaalsContact C-N 3.32Å; C40-L42 PolarHBondContact O-N 3.4Å | ||
| 43 | A | 40 | Very low | 44.5 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -142.7 | 92.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | N41 | N41-A43 PolarHBondContact O-N 2.81Š| ||
| 44 | G | 35.1 | Very low | 44.4 | Very low | 70 Ų | 70 | 140.2 Ų | 140.2 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 136.8 | 70.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 45 | S | 36.9 | Very low | 44.6 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | 68.1 | 94.5 | 103.5 | 64 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 46 | S | 35 | Very low | 44.6 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | 18.5 | 147 | 117.7 | -164.7 | 0 | 0 | 0 | 0 | 118 | |||||
| 47 | P | 44.2 | Very low | 44.5 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | -149.8 | 155.3 | 33.9 | 31.7 | -6.9 | 0 | 0 | 0 | 119.1 | ||||
| 48 | V | 40.9 | Very low | 44.5 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | trans | 9 | 123.5 | 135.6 | -172 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 49 | S | 44.5 | Very low | 44.8 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | 115.9 | 112 | 153.5 | -168.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 50 | R | 46 | Very low | 45 | Very low | 229 Ų | 229 | 138.1 Ų | 138.1 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | 177.6 | -1.1 | 119.4 | -98.1 | 178.4 | -72.3 | 178.2 | -1.7 | 118.2 | R52 | R50-R52 PolarHBondContact O-N 3.37Å; R50-R52 VanDerWaalsContact O-N 3.15Å | |||
| 51 | R | 47.5 | Very low | 45.2 | Very low | 247 Ų | 247 | 137.9 Ų | 137.9 | 93% | 0.932 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -85.2 | 97.6 | 170.2 | -66.5 | -171.6 | -167.8 | 165.5 | 5.2 | 108.5 | A53 | R51-A53 PolarHBondContact O-N 2.72Š|
| 52 | R | 46.3 | Very low | 45.7 | Very low | 205 Ų | 205 | 136 Ų | 136 | 77% | 0.774 | 73% | 0.727 | S | S | * | * | trans | -43.3 | 104.8 | 169.8 | -75.1 | 176 | 167.1 | -176.6 | -5.3 | 107.8 | R50 Y54 | R50-R52 PolarHBondContact O-N 3.37Å; R50-R52 VanDerWaalsContact O-N 3.15Å; R52-Y54 VanDerWaalsContact C-N 3.33Å; R52-Y54 HydrophobicContact CB-CE2 4.31Å; R52-Y54 WeakPolarHBondContact O-CD2 3.49Å; R52-Y54 PolarHBondContact O-N 3.19Å | ||
| 53 | A | 47.6 | Very low | 46.2 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -67.1 | 101.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | R51 T55 | R51-A53 PolarHBondContact O-N 2.72Å; A53-T55 VanDerWaalsContact C-N 3.27Å; A53-T55 PolarHBondContact O-N 2.81Å | ||
| 54 | Y | 42.7 | Very low | 46.7 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 74% | 0.737 | 72% | 0.719 | S | S | * | * | trans | -66.2 | 101.4 | 161 | -59.1 | -86.1 | 0 | 0 | 0 | 104.7 | R52 I56 | R52-Y54 VanDerWaalsContact C-N 3.33Å; R52-Y54 HydrophobicContact CB-CE2 4.31Å; R52-Y54 WeakPolarHBondContact O-CD2 3.49Å; R52-Y54 PolarHBondContact O-N 3.19Å; Y54-I56 PolarHBondContact O-N 2.93Å | ||
| 55 | T | 54.3 | Low | 47.1 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | trans | -62.4 | 95.3 | 165.7 | 44.4 | 0 | 0 | 0 | 0 | 105.8 | A53 N57 | A53-T55 VanDerWaalsContact C-N 3.27Å; A53-T55 PolarHBondContact O-N 2.81Å; T55-N57 PolarHBondContact O-N 2.81Å | ||
| 56 | I | 49.6 | Very low | 47.5 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 56% | 0.559 | 72% | 0.717 | S | S | * | * | trans | -67.8 | 102.5 | 170.2 | -62.7 | 169.8 | 0 | 0 | 0 | 104.8 | Y54 H58 | Y54-I56 PolarHBondContact O-N 2.93Å; I56-H58 VanDerWaalsContact C-N 3.28Å; I56-H58 PolarHBondContact O-N 3.15Å | ||
| 57 | N | 47.1 | Very low | 48.1 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 51% | 0.513 | 72% | 0.716 | S | S | . | * | trans | -63.5 | 95.7 | 168.8 | -79 | -13 | 0 | 0 | 0 | 106.8 | T55 E59 E60 | T55-N57 PolarHBondContact O-N 2.81Å; N57-E59 PolarHBondContact O-N 2.77Å; N57-E60 PolarHBondContact O-N 2.82Å | ||
| 58 | H | 49.7 | Very low | 48.1 | Very low | 149 Ų | 149 | 149.6 Ų | 149.6 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -15.3 | -178.3 | -86.1 | -74.4 | 0 | 0 | 0 | 113.7 | I56 | I56-H58 VanDerWaalsContact C-N 3.28Å; I56-H58 PolarHBondContact O-N 3.15Å |
| 59 | E | 54 | Low | 48.3 | Very low | 176 Ų | 176 | 149 Ų | 149 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -34.4 | -179.9 | -68 | 177.9 | 178.3 | 0 | 0 | 113.1 | N57 | N57-E59 PolarHBondContact O-N 2.77Š|
| 60 | E | 53.7 | Low | 48.6 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -74.2 | -27.3 | 179 | -69.4 | 174.5 | -171.1 | 0 | 0 | 112.2 | N57 M62 | N57-E60 PolarHBondContact O-N 2.82Å; E60-M62 VanDerWaalsContact C-N 3.31Å; E60-M62 PolarHBondContact O-N 3.32Å |
| 61 | N | 52.3 | Low | 48.6 | Very low | 97 Ų | 97 | 146 Ų | 146 | 52% | 0.519 | 72% | 0.716 | S | S | . | * | G | 310 helix | trans | -77.7 | -11 | -179.1 | -93.4 | 12.8 | 0 | 0 | 0 | 114.4 | E63 | N61-E63 VanDerWaalsContact C-N 3.27Å; N61-E63 PolarHBondContact O-N 3.34Å |
| 62 | M | 48.3 | Very low | 48.8 | Very low | 118 Ų | 118 | 140 Ų | 140 | 58% | 0.581 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -78.1 | -13 | 176.9 | -65.4 | -61.8 | -70.3 | 0 | 0 | 112.7 | E60 F64 | E60-M62 VanDerWaalsContact C-N 3.31Å; E60-M62 PolarHBondContact O-N 3.32Å; M62-F64 VanDerWaalsContact C-N 3.28Å; M62-F64 PolarHBondContact O-N 3.35Å |
| 63 | E | 54.5 | Low | 49.3 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 77% | 0.771 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -74 | -18.6 | 175.5 | -66.7 | -173.3 | 173.2 | 0 | 0 | 112.8 | N61 | N61-E63 VanDerWaalsContact C-N 3.27Å; N61-E63 PolarHBondContact O-N 3.34Å |
| 64 | F | 50.2 | Low | 49.4 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 77% | 0.772 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -80 | -17 | -179.2 | -101.2 | -85.2 | 0 | 0 | 0 | 114.8 | M62 | M62-F64 VanDerWaalsContact C-N 3.28Å; M62-F64 PolarHBondContact O-N 3.35Å |
| 65 | F | 45 | Very low | 50.4 | Low | 169 Ų | 169 | 133.4 Ų | 133.4 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -97.1 | 3.1 | -173.9 | -78.2 | -74.9 | 0 | 0 | 0 | 115.1 | ||
| 66 | F | 43.4 | Very low | 51 | Low | 170 Ų | 170 | 133.9 Ų | 133.9 | 75% | 0.746 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -115.4 | 18.2 | 175.7 | -67.2 | -71.9 | 0 | 0 | 0 | 114.5 | K68 | F66-K68 PolarHBondContact O-N 3.49Š|
| 67 | A | 48.5 | Very low | 52.2 | Low | 88 Ų | 88 | 133.5 Ų | 133.5 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -70.9 | 101.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||
| 68 | K | 43.4 | Very low | 53.2 | Low | 185 Ų | 185 | 133 Ų | 133 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -34.1 | 144.2 | 170.2 | -66.5 | 169 | 174.1 | 178.2 | 0 | 111.2 | F66 A70 | F66-K68 PolarHBondContact O-N 3.49Å; K68-A70 PolarHBondContact O-N 3Å | ||
| 69 | P | 46.2 | Very low | 54.1 | Low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 67% | 0.666 | S | S | * | * | trans | -57.9 | 107.3 | 166.3 | 26.1 | -30.8 | 0 | 0 | 0 | 106.3 | E71 | P69-E71 PolarHBondContact O-N 3.23Å; P69-E71 VanDerWaalsContact O-N 3.15Å | ||
| 70 | A | 50.8 | Low | 55.1 | Low | 66 Ų | 66 | 127.2 Ų | 127.2 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | trans | -61 | 120.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 104.5 | K68 D72 | K68-A70 PolarHBondContact O-N 3Å; A70-D72 HydrophobicContact CB-CB 4.22Å; A70-D72 WeakPolarHBondContact CB-OD2 3.37Å; A70-D72 PolarHBondContact O-N 3.03Å | ||
| 71 | E | 46.1 | Very low | 56 | Low | 196 Ų | 196 | 124.5 Ų | 124.5 | 92% | 0.916 | 65% | 0.648 | S | S | * | * | trans | -65.1 | 53.3 | 160.7 | -63.8 | 177.7 | 167.8 | 0 | 0 | 108.5 | P69 S73 | P69-E71 PolarHBondContact O-N 3.23Å; P69-E71 VanDerWaalsContact O-N 3.15Å; E71-S73 PolarHBondContact O-N 3.15Å | ||
| 72 | D | 50.5 | Low | 56.7 | Low | 123 Ų | 123 | 126.5 Ų | 126.5 | 66% | 0.658 | 65% | 0.653 | S | S | * | * | trans | -84.2 | 98.5 | 171.4 | -72.6 | -16.8 | 0 | 0 | 0 | 103.6 | A70 I74 | A70-D72 HydrophobicContact CB-CB 4.22Å; A70-D72 WeakPolarHBondContact CB-OD2 3.37Å; A70-D72 PolarHBondContact O-N 3.03Å; D72-I74 VanDerWaalsContact C-N 3.28Å; D72-I74 PolarHBondContact O-N 2.91Å | ||
| 73 | S | 56.6 | Low | 57.9 | Low | 93 Ų | 93 | 125.5 Ų | 125.5 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | trans | -39.3 | 105 | 154.8 | 49.5 | 0 | 0 | 0 | 0 | 106.6 | E71 E75 | E71-S73 PolarHBondContact O-N 3.15Å; S73-E75 PolarHBondContact O-N 3Å | ||
| 74 | I | 51.7 | Low | 58.8 | Low | 119 Ų | 119 | 119.1 Ų | 119.1 | 61% | 0.61 | 63% | 0.627 | S | S | * | * | trans | -58.5 | 97.7 | 174 | -68.7 | 166.4 | 0 | 0 | 0 | 104.4 | D72 N76 V79 | D72-I74 VanDerWaalsContact C-N 3.28Å; D72-I74 PolarHBondContact O-N 2.91Å; I74-N76 PolarHBondContact O-N 2.91Å; I74-V79 HydrophobicContact CG2-CG2 3.24Å | ||
| 75 | E | 61.9 | Low | 59.8 | Low | 129 Ų | 129 | 116.6 Ų | 116.6 | 60% | 0.603 | 62% | 0.616 | S | S | * | * | trans | -63.1 | 133.3 | 171.9 | -68.7 | -175.3 | 173.3 | 0 | 0 | 104.7 | S73 D77 D78 | S73-E75 PolarHBondContact O-N 3Å; E75-D77 PolarHBondContact O-N 3.5Å; E75-D78 PolarHBondContact O-N 3.04Å | ||
| 76 | N | 68 | Low | 60.5 | Low | 129 Ų | 129 | 113.2 Ų | 113.2 | 69% | 0.69 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -53.5 | -15.4 | -174.7 | -70.3 | -40.4 | 0 | 0 | 0 | 113.6 | I74 K80 | I74-N76 PolarHBondContact O-N 2.91Å; N76-K80 WeakPolarHBondContact O-CG 3.44Å; N76-K80 PolarHBondContact O-N 3.01Å |
| 77 | D | 73.6 | Confident | 61.7 | Low | 101 Ų | 101 | 112.2 Ų | 112.2 | 54% | 0.54 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -72.1 | -33.6 | 175.5 | -68 | -17.2 | 0 | 0 | 0 | 112.8 | E75 K80 T81 | E75-D77 PolarHBondContact O-N 3.5Å; D77-K80 PolarHBondContact O-N 3.47Å; D77-K80 IonicContact OD1-NZ 3.98Å; D77-T81 WeakPolarHBondContact O-CG2 3.47Å; D77-T81 PolarHBondContact O-N 3.39Å; D77-T81 VanDerWaalsContact O-N 3.11Å |
| 78 | D | 68.1 | Low | 62.4 | Low | 86 Ų | 86 | 113.3 Ų | 113.3 | 46% | 0.46 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.2 | -41.6 | 176.8 | -72.1 | -24.4 | 0 | 0 | 0 | 111.4 | E75 K80 T81 F82 | E75-D78 PolarHBondContact O-N 3.04Å; D78-K80 VanDerWaalsContact C-N 3.3Å; D78-K80 PolarHBondContact O-N 3.05Å; D78-T81 PolarHBondContact O-N 2.77Å; D78-T81 PolarHBondContact O-OG1 3.01Å; D78-F82 PolarHBondContact O-N 2.9Å |
| 79 | V | 70 | Confident | 63.1 | Low | 65 Ų | 65 | 110.2 Ų | 110.2 | 39% | 0.394 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.5 | -42 | 175.7 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | I74 T81 F82 L83 | I74-V79 HydrophobicContact CG2-CG2 3.24Å; V79-T81 VanDerWaalsContact C-N 3.34Å; V79-T81 PolarHBondContact O-N 3.43Å; V79-F82 PolarHBondContact O-N 3.44Å; V79-L83 HydrophobicContact CG1-CD1 3.96Å; V79-L83 HydrophobicContact CG1-CG 4.34Å; V79-L83 WeakPolarHBondContact O-CB 3.38Å; V79-L83 WeakPolarHBondContact O-CG 3.38Å; V79-L83 PolarHBondContact O-N 3.12Å |
| 80 | K | 73.4 | Confident | 63.9 | Low | 137 Ų | 137 | 111.2 Ų | 111.2 | 60% | 0.596 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.1 | -39.5 | 177.1 | -74.2 | 175.1 | -173.4 | 166.7 | 0 | 112.1 | N76 D77 D78 L83 G84 | N76-K80 WeakPolarHBondContact O-CG 3.44Å; N76-K80 PolarHBondContact O-N 3.01Å; D77-K80 PolarHBondContact O-N 3.47Å; D77-K80 IonicContact OD1-NZ 3.98Å; D78-K80 VanDerWaalsContact C-N 3.3Å; D78-K80 PolarHBondContact O-N 3.05Å; K80-L83 PolarHBondContact O-N 3.3Å; K80-G84 PolarHBondContact O-N 3.38Å |
| 81 | T | 74 | Confident | 64.7 | Low | 78 Ų | 78 | 115.1 Ų | 115.1 | 48% | 0.479 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.1 | -33.8 | 177 | 65 | 0 | 0 | 0 | 0 | 112.7 | D77 D78 V79 K85 | D77-T81 WeakPolarHBondContact O-CG2 3.47Å; D77-T81 PolarHBondContact O-N 3.39Å; D77-T81 VanDerWaalsContact O-N 3.11Å; D78-T81 PolarHBondContact O-N 2.77Å; D78-T81 PolarHBondContact O-OG1 3.01Å; V79-T81 VanDerWaalsContact C-N 3.34Å; V79-T81 PolarHBondContact O-N 3.43Å; T81-K85 WeakPolarHBondContact O-CG 3.44Å; T81-K85 PolarHBondContact O-N 2.85Å |
| 82 | F | 66.9 | Low | 65.3 | Low | 139 Ų | 139 | 111.5 Ų | 111.5 | 61% | 0.61 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70 | -42.1 | 173.2 | -95 | -81.8 | 0 | 0 | 0 | 112.6 | D78 V79 G84 K85 L86 | D78-F82 PolarHBondContact O-N 2.9Å; V79-F82 PolarHBondContact O-N 3.44Å; F82-G84 VanDerWaalsContact C-N 3.34Å; F82-G84 PolarHBondContact O-N 3.02Å; F82-K85 PolarHBondContact O-N 3.16Å; F82-L86 PolarHBondContact O-N 2.9Å |
| 83 | L | 73.4 | Confident | 65.9 | Low | 97 Ų | 97 | 111.5 Ų | 111.5 | 51% | 0.508 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.3 | -40.9 | 175.2 | -74.5 | 170.6 | 0 | 0 | 0 | 111.8 | V79 K80 K85 L86 E87 | V79-L83 HydrophobicContact CG1-CD1 3.96Å; V79-L83 HydrophobicContact CG1-CG 4.34Å; V79-L83 WeakPolarHBondContact O-CB 3.38Å; V79-L83 WeakPolarHBondContact O-CG 3.38Å; V79-L83 PolarHBondContact O-N 3.12Å; K80-L83 PolarHBondContact O-N 3.3Å; L83-K85 VanDerWaalsContact C-N 3.3Å; L83-K85 PolarHBondContact O-N 2.89Å; L83-L86 HydrophobicContact CD2-CD1 4.42Å; L83-L86 WeakPolarHBondContact O-CB 3.36Å; L83-L86 PolarHBondContact O-N 3.39Å; L83-E87 PolarHBondContact O-N 3.33Å |
| 84 | G | 73.7 | Confident | 66.2 | Low | 30 Ų | 30 | 115.7 Ų | 115.7 | 31% | 0.309 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -58.9 | -38.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K80 F82 L86 E87 D88 | K80-G84 PolarHBondContact O-N 3.38Å; F82-G84 VanDerWaalsContact C-N 3.34Å; F82-G84 PolarHBondContact O-N 3.02Å; G84-L86 VanDerWaalsContact C-N 3.27Å; G84-L86 PolarHBondContact O-N 3.04Å; G84-E87 PolarHBondContact O-N 3.38Å; G84-D88 PolarHBondContact O-N 3.02Å |
| 85 | K | 71.3 | Confident | 66.5 | Low | 124 Ų | 124 | 119.2 Ų | 119.2 | 54% | 0.539 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.8 | -21.7 | 174.9 | -67.2 | 175 | -173 | 172.3 | 0 | 113.6 | T81 F82 L83 | T81-K85 WeakPolarHBondContact O-CG 3.44Å; T81-K85 PolarHBondContact O-N 2.85Å; F82-K85 PolarHBondContact O-N 3.16Å; L83-K85 VanDerWaalsContact C-N 3.3Å; L83-K85 PolarHBondContact O-N 2.89Å |
| 86 | L | 59.1 | Low | 66.3 | Low | 98 Ų | 98 | 115.4 Ų | 115.4 | 51% | 0.513 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -81.2 | -34.2 | 175.3 | -74.5 | 166.1 | 0 | 0 | 0 | 111.5 | F82 L83 G84 D88 L89 | F82-L86 PolarHBondContact O-N 2.9Å; L83-L86 HydrophobicContact CD2-CD1 4.42Å; L83-L86 WeakPolarHBondContact O-CB 3.36Å; L83-L86 PolarHBondContact O-N 3.39Å; G84-L86 VanDerWaalsContact C-N 3.27Å; G84-L86 PolarHBondContact O-N 3.04Å; L86-D88 PolarHBondContact O-N 2.85Å; L86-L89 HydrophobicContact CD2-CD1 3.73Å; L86-L89 WeakPolarHBondContact O-CB 3.42Å; L86-L89 PolarHBondContact O-N 2.97Å |
| 87 | E | 67.8 | Low | 66.2 | Low | 148 Ų | 148 | 115 Ų | 115 | 69% | 0.692 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.9 | -35.1 | 170.3 | -69.1 | -178.7 | 178.7 | 0 | 0 | 111.3 | L83 G84 L89 D90 | L83-E87 PolarHBondContact O-N 3.33Å; G84-E87 PolarHBondContact O-N 3.38Å; E87-L89 PolarHBondContact O-N 3.22Å; E87-D90 PolarHBondContact O-N 3.44Å |
| 88 | D | 63.6 | Low | 65.8 | Low | 112 Ų | 112 | 116 Ų | 116 | 60% | 0.599 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -66.6 | -21 | 172.9 | -64.6 | -24.6 | 0 | 0 | 0 | 113.1 | G84 L86 D90 E91 | G84-D88 PolarHBondContact O-N 3.02Å; L86-D88 PolarHBondContact O-N 2.85Å; D88-D90 VanDerWaalsContact C-N 3.33Å; D88-E91 PolarHBondContact O-N 2.98Å |
| 89 | L | 59.3 | Low | 65.4 | Low | 120 Ų | 120 | 116.1 Ų | 116.1 | 63% | 0.628 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -82.2 | -9.9 | 176.8 | -74.5 | 166.5 | 0 | 0 | 0 | 113.3 | L86 E87 E91 | L86-L89 HydrophobicContact CD2-CD1 3.73Å; L86-L89 WeakPolarHBondContact O-CB 3.42Å; L86-L89 PolarHBondContact O-N 2.97Å; E87-L89 PolarHBondContact O-N 3.22Å; L89-E91 PolarHBondContact O-N 3.43Å |
| 90 | D | 62.6 | Low | 64.7 | Low | 145 Ų | 145 | 116 Ų | 116 | 78% | 0.775 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -75.5 | -4.7 | 168.2 | -82.6 | -18.4 | 0 | 0 | 0 | 112.3 | E87 D88 | E87-D90 PolarHBondContact O-N 3.44Å; D88-D90 VanDerWaalsContact C-N 3.33Å |
| 91 | E | 67 | Low | 63.7 | Low | 149 Ų | 149 | 111.1 Ų | 111.1 | 70% | 0.696 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -58.5 | 123.4 | 162.5 | -73 | -166.8 | 170.5 | 0 | 0 | 108.3 | D88 L89 V93 | D88-E91 PolarHBondContact O-N 2.98Å; L89-E91 PolarHBondContact O-N 3.43Å; E91-V93 PolarHBondContact O-N 3.43Å |
| 92 | P | 59.2 | Low | 63.2 | Low | 120 Ų | 120 | 112.2 Ų | 112.2 | 78% | 0.779 | 63% | 0.632 | S | S | * | * | trans | -60.2 | 110 | -176.5 | 24.6 | -33 | 0 | 0 | 0 | 107.7 | E94 | P92-E94 PolarHBondContact O-N 3.07Š| ||
| 93 | V | 63 | Low | 62.9 | Low | 123 Ų | 123 | 112.8 Ų | 112.8 | 75% | 0.745 | 64% | 0.641 | S | S | * | * | trans | -45.3 | 110.3 | 172.9 | 176.9 | 0 | 0 | 0 | 0 | 106.5 | E91 Q95 | E91-V93 PolarHBondContact O-N 3.43Å; V93-Q95 PolarHBondContact O-N 3.02Å | ||
| 94 | E | 63.6 | Low | 62 | Low | 180 Ų | 180 | 115.7 Ų | 115.7 | 84% | 0.841 | 65% | 0.65 | S | S | * | * | trans | -48.5 | 118.8 | 176.1 | -73.1 | -164 | 160 | 0 | 0 | 106 | P92 G96 | P92-E94 PolarHBondContact O-N 3.07Å; E94-G96 PolarHBondContact O-N 3.15Å | ||
| 95 | Q | 58 | Low | 61 | Low | 193 Ų | 193 | 120.4 Ų | 120.4 | 90% | 0.902 | 66% | 0.659 | S | S | * | * | trans | -44.2 | 110.7 | -174.6 | -78.1 | 176.7 | -10.6 | 0 | 0 | 107.9 | V93 | V93-Q95 PolarHBondContact O-N 3.02Š| ||
| 96 | G | 56.7 | Low | 60.2 | Low | 50 Ų | 50 | 122.7 Ų | 122.7 | 52% | 0.515 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -50.3 | 154 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | E94 | E94-G96 PolarHBondContact O-N 3.15Š|
| 97 | P | 66 | Low | 60.1 | Low | 120 Ų | 120 | 125.1 Ų | 125.1 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -49.7 | 137.2 | -170.3 | 20.8 | -32.9 | 0 | 0 | 0 | 110.2 | S99 | P97-S99 PolarHBondContact O-N 2.96Š|
| 98 | P | 64.7 | Low | 59.6 | Low | 121 Ų | 121 | 123.6 Ų | 123.6 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 131 | -169.7 | 20.6 | -32.8 | 0 | 0 | 0 | 109.8 | P100 | P98-P100 VanDerWaalsContact O-N 3.15Š|
| 99 | S | 60.8 | Low | 59.1 | Low | 89 Ų | 89 | 123.9 Ų | 123.9 | 62% | 0.622 | 68% | 0.681 | S | S | * | * | trans | -43.6 | 123.3 | 174.2 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | P97 G101 | P97-S99 PolarHBondContact O-N 2.96Å; S99-G101 PolarHBondContact O-N 3.48Å | ||
| 100 | P | 55.5 | Low | 58.9 | Low | 62 Ų | 62 | 122.2 Ų | 122.2 | 40% | 0.403 | 68% | 0.678 | S | S | . | * | trans | -60.3 | 117.9 | -179.9 | 20.6 | -28.5 | 0 | 0 | 0 | 108.8 | P98 K104 | P98-P100 VanDerWaalsContact O-N 3.15Å; P100-K104 HydrophobicContact CB-CB 3.99Å; P100-K104 HydrophobicContact CB-CD 3.55Å; P100-K104 HydrophobicContact CB-CG 4.09Å | ||
| 101 | G | 52.7 | Low | 58.3 | Low | 35 Ų | 35 | 123 Ų | 123 | 36% | 0.361 | 67% | 0.674 | S | S | . | * | trans | -55.8 | 169.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S99 D103 K104 | S99-G101 PolarHBondContact O-N 3.48Å; G101-D103 PolarHBondContact O-N 3.02Å; G101-K104 WeakPolarHBondContact O-CB 3.33Å; G101-K104 PolarHBondContact O-N 3.49Å | ||
| 102 | P | 62 | Low | 57.7 | Low | 102 Ų | 102 | 123.6 Ų | 123.6 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -55 | -32.7 | -166.9 | 19.6 | -32 | 0 | 0 | 0 | 114.1 | K104 Y105 | P102-K104 PolarHBondContact O-N 3.31Å; P102-K104 VanDerWaalsContact O-N 3.15Å; P102-Y105 WeakPolarHBondContact O-CD2 3.46Å; P102-Y105 PolarHBondContact O-N 3.5Å |
| 103 | D | 60.5 | Low | 57.6 | Low | 150 Ų | 150 | 122.8 Ų | 122.8 | 80% | 0.802 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -66.7 | -12.5 | 178.8 | -54.8 | -21.8 | 0 | 0 | 0 | 113.5 | G101 | G101-D103 PolarHBondContact O-N 3.02Š|
| 104 | K | 55.8 | Low | 57.2 | Low | 159 Ų | 159 | 122.1 Ų | 122.1 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -92.2 | -5.8 | 173 | -52.8 | -155.1 | -154.6 | 168.3 | 0 | 113.4 | P100 G101 P102 E106 | P100-K104 HydrophobicContact CB-CB 3.99Å; P100-K104 HydrophobicContact CB-CD 3.55Å; P100-K104 HydrophobicContact CB-CG 4.09Å; G101-K104 WeakPolarHBondContact O-CB 3.33Å; G101-K104 PolarHBondContact O-N 3.49Å; P102-K104 PolarHBondContact O-N 3.31Å; P102-K104 VanDerWaalsContact O-N 3.15Å; K104-E106 PolarHBondContact O-N 2.96Å; K104-E106 VanDerWaalsContact O-N 3.16Å |
| 105 | Y | 52.2 | Low | 56.6 | Low | 129 Ų | 129 | 118.3 Ų | 118.3 | 51% | 0.506 | 64% | 0.636 | S | S | . | * | trans | -86.9 | 63.2 | 168.1 | -55 | -77.3 | 0 | 0 | 0 | 109 | P102 D107 I108 | P102-Y105 WeakPolarHBondContact O-CD2 3.46Å; P102-Y105 PolarHBondContact O-N 3.5Å; Y105-D107 PolarHBondContact O-N 3.31Å; Y105-I108 HydrophobicContact CD1-CD1 4.4Å | ||
| 106 | E | 53.5 | Low | 56.6 | Low | 171 Ų | 171 | 114 Ų | 114 | 80% | 0.799 | 63% | 0.627 | S | S | * | * | trans | -59.3 | 109.7 | 165.7 | -69.9 | -178.1 | 177.2 | 0 | 0 | 107.9 | K104 I108 | K104-E106 PolarHBondContact O-N 2.96Å; K104-E106 VanDerWaalsContact O-N 3.16Å; E106-I108 PolarHBondContact O-N 3.11Å | ||
| 107 | D | 58.2 | Low | 56.7 | Low | 149 Ų | 149 | 118.5 Ų | 118.5 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | trans | 45 | 71.3 | 157.8 | -55.5 | -21.1 | 0 | 0 | 0 | 116.1 | Y105 L109 | Y105-D107 PolarHBondContact O-N 3.31Å; D107-L109 PolarHBondContact O-N 3.01Å | ||
| 108 | I | 56.4 | Low | 55.9 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 60% | 0.6 | 62% | 0.623 | S | S | * | * | trans | -59.9 | 102.1 | 162.8 | -58.8 | 171 | 0 | 0 | 0 | 107.9 | Y105 E106 | Y105-I108 HydrophobicContact CD1-CD1 4.4Å; E106-I108 PolarHBondContact O-N 3.11Å | ||
| 109 | L | 52.8 | Low | 55.4 | Low | 118 Ų | 118 | 116.2 Ų | 116.2 | 62% | 0.618 | 61% | 0.613 | S | S | * | * | trans | -56.5 | 142.9 | 174 | -76 | 174.4 | 0 | 0 | 0 | 110.9 | D107 | D107-L109 PolarHBondContact O-N 3.01Š| ||
| 110 | P | 55 | Low | 55.2 | Low | 85 Ų | 85 | 116.9 Ų | 116.9 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | trans | -54.5 | 146.1 | -179.4 | -22.7 | 31.8 | 0 | 0 | 0 | 112.2 | E112 D113 | P110-E112 PolarHBondContact O-N 3.44Å; P110-D113 PolarHBondContact O-N 3.48Å | ||
| 111 | F | 51.1 | Low | 54.9 | Low | 161 Ų | 161 | 117.4 Ų | 117.4 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -51.4 | -27.2 | -175.6 | -103.5 | -95 | 0 | 0 | 0 | 114.7 | R114 | F111-R114 WeakPolarHBondContact O-CB 3.48Å; F111-R114 PolarHBondContact O-N 2.93Å |
| 112 | E | 53.8 | Low | 54.7 | Low | 161 Ų | 161 | 117.4 Ų | 117.4 | 75% | 0.752 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -68.2 | -36.4 | -170.6 | -64 | 171.8 | -179.8 | 0 | 0 | 113.1 | P110 R114 | P110-E112 PolarHBondContact O-N 3.44Å; E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 2.87Å |
| 113 | D | 57.3 | Low | 54 | Low | 104 Ų | 104 | 115.8 Ų | 115.8 | 56% | 0.556 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -75.7 | -19.3 | -179 | -77.8 | -16.1 | 0 | 0 | 0 | 112.8 | P110 L115 S116 | P110-D113 PolarHBondContact O-N 3.48Å; D113-L115 PolarHBondContact O-N 3.5Å; D113-S116 PolarHBondContact O-N 3.42Å; D113-S116 PolarHBondContact O-OG 2.88Å |
| 114 | R | 54.4 | Low | 53.3 | Low | 108 Ų | 108 | 115.7 Ų | 115.7 | 41% | 0.408 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -67.7 | -24.6 | 179.8 | -59.3 | -177.4 | -177 | -170.4 | 0.6 | 112.6 | F111 E112 S116 F118 | F111-R114 WeakPolarHBondContact O-CB 3.48Å; F111-R114 PolarHBondContact O-N 2.93Å; E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 2.87Å; R114-S116 VanDerWaalsContact C-N 3.34Å; R114-F118 WeakPolarHBondContact O-CD2 3.24Å |
| 115 | L | 51.7 | Low | 53 | Low | 101 Ų | 101 | 115.4 Ų | 115.4 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -73.8 | -26.9 | -177.3 | -59.4 | -176.9 | 0 | 0 | 0 | 112.6 | D113 L117 F123 | D113-L115 PolarHBondContact O-N 3.5Å; L115-L117 PolarHBondContact O-N 3.36Å; L115-F123 HydrophobicContact CD2-CZ 4.14Å |
| 116 | S | 58.3 | Low | 52.7 | Low | 102 Ų | 102 | 114.1 Ų | 114.1 | 71% | 0.713 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -71.2 | -17.3 | 179.7 | 70.5 | 0 | 0 | 0 | 0 | 114.1 | D113 R114 | D113-S116 PolarHBondContact O-N 3.42Å; D113-S116 PolarHBondContact O-OG 2.88Å; R114-S116 VanDerWaalsContact C-N 3.34Å |
| 117 | L | 57.8 | Low | 52.1 | Low | 145 Ų | 145 | 112.9 Ų | 112.9 | 76% | 0.759 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -87 | -9.2 | -177.3 | -74 | 163.5 | 0 | 0 | 0 | 113.6 | L115 | L115-L117 PolarHBondContact O-N 3.36Š|
| 118 | F | 48.4 | Very low | 51.5 | Low | 107 Ų | 107 | 109.2 Ų | 109.2 | 47% | 0.469 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -76.9 | 128.1 | 174.7 | -72.9 | -86.1 | 0 | 0 | 0 | 109.4 | R114 S120 F123 | R114-F118 WeakPolarHBondContact O-CD2 3.24Å; F118-S120 PolarHBondContact O-N 3.13Å; F118-F123 HydrophobicContact CB-CD2 3.68Å; F118-F123 HydrophobicContact CB-CE2 3.83Å; F118-F123 AromaticContact CD2-CE2 3.94Å; F118-F123 HydrophobicContact CD2-CE2 3.94Å; F118-F123 HydrophobicContact CG-CD2 4.24Å; F118-F123 AromaticContact CG-CE2 3.98Å; F118-F123 HydrophobicContact CG-CE2 3.98Å |
| 119 | P | 54.5 | Low | 50.8 | Low | 86 Ų | 86 | 110.3 Ų | 110.3 | 56% | 0.558 | 57% | 0.574 | S | S | * | * | trans | -57.1 | 129.3 | 170.3 | 24 | -30.9 | 0 | 0 | 0 | 107.7 | S121 A122 | P119-S121 PolarHBondContact O-N 3.28Å; P119-A122 HydrophobicContact CG-CB 4.46Å; P119-A122 PolarHBondContact O-N 3.43Å | ||
| 120 | S | 56.3 | Low | 50.5 | Low | 102 Ų | 102 | 108.6 Ų | 108.6 | 71% | 0.713 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -51.8 | -24.6 | -172 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | F118 A122 F123 E124 | F118-S120 PolarHBondContact O-N 3.13Å; S120-A122 PolarHBondContact O-N 2.84Å; S120-F123 PolarHBondContact O-N 3.33Å; S120-E124 PolarHBondContact O-N 3.03Å |
| 121 | S | 51 | Low | 49.9 | Very low | 74 Ų | 74 | 108.1 Ų | 108.1 | 52% | 0.517 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.8 | -26.9 | 176.4 | 62 | 0 | 0 | 0 | 0 | 114.6 | P119 K125 | P119-S121 PolarHBondContact O-N 3.28Å; S121-K125 PolarHBondContact O-N 3.19Å |
| 122 | A | 48.2 | Very low | 49.6 | Very low | 34 Ų | 34 | 110.7 Ų | 110.7 | 28% | 0.281 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74.8 | -33.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P119 S120 K125 I126 | P119-A122 HydrophobicContact CG-CB 4.46Å; P119-A122 PolarHBondContact O-N 3.43Å; S120-A122 PolarHBondContact O-N 2.84Å; A122-K125 PolarHBondContact O-N 3.17Å; A122-I126 WeakPolarHBondContact O-CG1 3.45Å; A122-I126 PolarHBondContact O-N 3.32Å |
| 123 | F | 45.8 | Very low | 49.3 | Very low | 68 Ų | 68 | 105.9 Ų | 105.9 | 30% | 0.298 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.3 | -38.4 | 176.2 | -109.7 | -86.8 | 0 | 0 | 0 | 112.5 | L115 F118 S120 K125 I126 Y127 | L115-F123 HydrophobicContact CD2-CZ 4.14Å; F118-F123 HydrophobicContact CB-CD2 3.68Å; F118-F123 HydrophobicContact CB-CE2 3.83Å; F118-F123 AromaticContact CD2-CE2 3.94Å; F118-F123 HydrophobicContact CD2-CE2 3.94Å; F118-F123 HydrophobicContact CG-CD2 4.24Å; F118-F123 AromaticContact CG-CE2 3.98Å; F118-F123 HydrophobicContact CG-CE2 3.98Å; S120-F123 PolarHBondContact O-N 3.33Å; F123-K125 VanDerWaalsContact C-N 3.31Å; F123-K125 PolarHBondContact O-N 3.41Å; F123-I126 PolarHBondContact O-N 2.97Å; F123-Y127 AromaticContact CD1-CD2 3.89Å; F123-Y127 HydrophobicContact CD1-CD2 3.89Å; F123-Y127 AromaticContact CD1-CE2 3.86Å; F123-Y127 HydrophobicContact CD1-CE2 3.86Å; F123-Y127 HydrophobicContact CE1-CD2 4.42Å; F123-Y127 HydrophobicContact CE1-CE2 4Å; F123-Y127 PolarHBondContact O-N 3.36Å |
| 124 | E | 46.9 | Very low | 48.8 | Very low | 148 Ų | 148 | 107.6 Ų | 107.6 | 69% | 0.692 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.4 | -42.9 | 172 | -104.2 | 178.5 | 171.4 | 0 | 0 | 111.4 | S120 T128 | S120-E124 PolarHBondContact O-N 3.03Å; E124-T128 VanDerWaalsContact O-CG2 3.29Å; E124-T128 WeakPolarHBondContact O-CG2 3.19Å; E124-T128 PolarHBondContact O-N 3.09Å; E124-T128 PolarHBondContact O-OG1 2.95Å; E124-T128 VanDerWaalsContact O-OG1 3.12Å |
| 125 | K | 49.3 | Very low | 48.5 | Very low | 153 Ų | 153 | 110 Ų | 110 | 67% | 0.665 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.4 | -44 | 178.2 | -74.4 | -174.1 | 178.9 | -175 | 0 | 112.7 | S121 A122 F123 T128 L129 | S121-K125 PolarHBondContact O-N 3.19Å; A122-K125 PolarHBondContact O-N 3.17Å; F123-K125 VanDerWaalsContact C-N 3.31Å; F123-K125 PolarHBondContact O-N 3.41Å; K125-T128 PolarHBondContact O-N 3.41Å; K125-T128 PolarHBondContact O-OG1 3.42Å; K125-L129 PolarHBondContact O-N 3.32Å |
| 126 | I | 46.6 | Very low | 48.3 | Very low | 102 Ų | 102 | 110.4 Ų | 110.4 | 52% | 0.523 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.9 | -44 | -179.3 | -64.5 | 167.7 | 0 | 0 | 0 | 110.9 | A122 F123 T128 L129 S130 | A122-I126 WeakPolarHBondContact O-CG1 3.45Å; A122-I126 PolarHBondContact O-N 3.32Å; F123-I126 PolarHBondContact O-N 2.97Å; I126-T128 VanDerWaalsContact C-N 3.31Å; I126-T128 PolarHBondContact O-N 3.39Å; I126-L129 PolarHBondContact O-N 2.83Å; I126-S130 PolarHBondContact O-N 3.4Å; I126-S130 VanDerWaalsContact O-N 3.09Å |
| 127 | Y | 39.7 | Very low | 47.9 | Very low | 145 Ų | 145 | 112.8 Ų | 112.8 | 57% | 0.569 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.6 | -38.8 | 176.6 | -99.1 | -85.6 | 0 | 0 | 0 | 112.1 | F123 L129 S130 T131 | F123-Y127 AromaticContact CD1-CD2 3.89Å; F123-Y127 HydrophobicContact CD1-CD2 3.89Å; F123-Y127 AromaticContact CD1-CE2 3.86Å; F123-Y127 HydrophobicContact CD1-CE2 3.86Å; F123-Y127 HydrophobicContact CE1-CD2 4.42Å; F123-Y127 HydrophobicContact CE1-CE2 4Å; F123-Y127 PolarHBondContact O-N 3.36Å; Y127-L129 VanDerWaalsContact C-N 3.28Å; Y127-L129 PolarHBondContact O-N 3.21Å; Y127-S130 PolarHBondContact O-N 3.19Å; Y127-T131 HydrophobicContact CD1-CG2 4.38Å; Y127-T131 PolarHBondContact O-N 3.45Å; Y127-T131 VanDerWaalsContact O-N 3.1Å; Y127-T131 PolarHBondContact O-OG1 3.2Å; Y127-T131 VanDerWaalsContact O-OG1 3.07Å |
| 128 | T | 46.1 | Very low | 47.5 | Very low | 73 Ų | 73 | 112.1 Ų | 112.1 | 45% | 0.448 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.2 | -24.5 | 177.8 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | E124 K125 I126 R132 | E124-T128 VanDerWaalsContact O-CG2 3.29Å; E124-T128 WeakPolarHBondContact O-CG2 3.19Å; E124-T128 PolarHBondContact O-N 3.09Å; E124-T128 PolarHBondContact O-OG1 2.95Å; E124-T128 VanDerWaalsContact O-OG1 3.12Å; K125-T128 PolarHBondContact O-N 3.41Å; K125-T128 PolarHBondContact O-OG1 3.42Å; I126-T128 VanDerWaalsContact C-N 3.31Å; I126-T128 PolarHBondContact O-N 3.39Å; T128-R132 WeakPolarHBondContact O-CB 3.46Å; T128-R132 VanDerWaalsContact O-CG 3.28Å; T128-R132 WeakPolarHBondContact O-CG 3.47Å; T128-R132 PolarHBondContact O-N 3.34Å |
| 129 | L | 42.6 | Very low | 47.8 | Very low | 140 Ų | 140 | 113.6 Ų | 113.6 | 73% | 0.733 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -84 | -34.7 | 176.1 | -70.5 | 174.2 | 0 | 0 | 0 | 111.9 | K125 I126 Y127 | K125-L129 PolarHBondContact O-N 3.32Å; I126-L129 PolarHBondContact O-N 2.83Å; Y127-L129 VanDerWaalsContact C-N 3.28Å; Y127-L129 PolarHBondContact O-N 3.21Å |
| 130 | S | 46.9 | Very low | 48 | Very low | 81 Ų | 81 | 115 Ų | 115 | 57% | 0.566 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -79.9 | -26 | -179.5 | 76.7 | 0 | 0 | 0 | 0 | 114 | I126 Y127 | I126-S130 PolarHBondContact O-N 3.4Å; I126-S130 VanDerWaalsContact O-N 3.09Å; Y127-S130 PolarHBondContact O-N 3.19Å |
| 131 | T | 42.3 | Very low | 48.1 | Very low | 75 Ų | 75 | 117.4 Ų | 117.4 | 46% | 0.46 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.4 | -2.9 | 179.3 | 70.9 | 0 | 0 | 0 | 0 | 114 | Y127 | Y127-T131 HydrophobicContact CD1-CG2 4.38Å; Y127-T131 PolarHBondContact O-N 3.45Å; Y127-T131 VanDerWaalsContact O-N 3.1Å; Y127-T131 PolarHBondContact O-OG1 3.2Å; Y127-T131 VanDerWaalsContact O-OG1 3.07Å |
| 132 | R | 44.4 | Very low | 48.5 | Very low | 216 Ų | 216 | 120.9 Ų | 120.9 | 82% | 0.815 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -24.6 | 170.5 | -92.5 | -174.2 | 165.7 | -178.7 | -3.5 | 112.8 | T128 D134 | T128-R132 WeakPolarHBondContact O-CB 3.46Å; T128-R132 VanDerWaalsContact O-CG 3.28Å; T128-R132 WeakPolarHBondContact O-CG 3.47Å; T128-R132 PolarHBondContact O-N 3.34Å; R132-D134 PolarHBondContact O-N 2.98Å |
| 133 | A | 47 | Very low | 49 | Very low | 60 Ų | 60 | 125.1 Ų | 125.1 | 50% | 0.496 | 64% | 0.643 | S | S | . | * | trans | -89.3 | 59.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | E135 | A133-E135 PolarHBondContact O-N 3.4Å; A133-E135 VanDerWaalsContact O-N 3.09Å | ||
| 134 | D | 46.5 | Very low | 50 | Low | 139 Ų | 139 | 127.3 Ų | 127.3 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | trans | -70.8 | 29.5 | 147.4 | -75.9 | -24.2 | 0 | 0 | 0 | 109.7 | R132 T136 | R132-D134 PolarHBondContact O-N 2.98Å; D134-T136 PolarHBondContact O-N 3.35Å | ||
| 135 | E | 48.6 | Very low | 50.8 | Low | 158 Ų | 158 | 125.7 Ų | 125.7 | 74% | 0.738 | 65% | 0.652 | S | S | * | * | trans | -74.1 | 89.1 | 160 | -69.3 | 179.2 | -178.3 | 0 | 0 | 104.3 | A133 L137 | A133-E135 PolarHBondContact O-N 3.4Å; A133-E135 VanDerWaalsContact O-N 3.09Å; E135-L137 VanDerWaalsContact C-N 3.3Å; E135-L137 PolarHBondContact O-N 3.32Å | ||
| 136 | T | 47 | Very low | 52.2 | Low | 111 Ų | 111 | 122.1 Ų | 122.1 | 68% | 0.681 | 64% | 0.64 | S | S | * | * | trans | -48.1 | 111.5 | 148.7 | 45.9 | 0 | 0 | 0 | 0 | 104.9 | D134 D138 | D134-T136 PolarHBondContact O-N 3.35Å; T136-D138 PolarHBondContact O-N 3.37Å | ||
| 137 | L | 50.8 | Low | 53.9 | Low | 152 Ų | 152 | 123.9 Ų | 123.9 | 80% | 0.796 | 65% | 0.651 | S | S | * | * | trans | -55.8 | 101.8 | 161.3 | -72.5 | 169.2 | 0 | 0 | 0 | 103.4 | E135 I139 | E135-L137 VanDerWaalsContact C-N 3.3Å; E135-L137 PolarHBondContact O-N 3.32Å; L137-I139 PolarHBondContact O-N 3.06Å | ||
| 138 | D | 48.8 | Very low | 55.8 | Low | 131 Ų | 131 | 124.2 Ų | 124.2 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | trans | -60.5 | 90.5 | 162.4 | -70 | -24.8 | 0 | 0 | 0 | 102.8 | T136 D140 | T136-D138 PolarHBondContact O-N 3.37Å; D138-D140 PolarHBondContact O-N 3.05Å | ||
| 139 | I | 55.7 | Low | 57.4 | Low | 137 Ų | 137 | 124.2 Ų | 124.2 | 70% | 0.703 | 66% | 0.655 | S | S | * | * | trans | -59.2 | 104.5 | 162.6 | -62.1 | 169.3 | 0 | 0 | 0 | 101.1 | L137 D141 | L137-I139 PolarHBondContact O-N 3.06Å; I139-D141 VanDerWaalsContact C-N 3.34Å; I139-D141 PolarHBondContact O-N 2.84Å | ||
| 140 | D | 58.2 | Low | 59.3 | Low | 117 Ų | 117 | 120.7 Ų | 120.7 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | trans | -51.9 | 108.6 | 175.1 | -78.7 | -37.6 | 0 | 0 | 0 | 105.6 | D138 N142 L143 | D138-D140 PolarHBondContact O-N 3.05Å; D140-N142 PolarHBondContact O-N 3.2Å; D140-L143 PolarHBondContact O-N 3.12Å | ||
| 141 | D | 57.9 | Low | 60.9 | Low | 152 Ų | 152 | 123.8 Ų | 123.8 | 81% | 0.813 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -3.8 | 174.6 | -74.4 | -31.7 | 0 | 0 | 0 | 111.4 | I139 | I139-D141 VanDerWaalsContact C-N 3.34Å; I139-D141 PolarHBondContact O-N 2.84Å |
| 142 | N | 59.3 | Low | 63 | Low | 147 Ų | 147 | 122.7 Ų | 122.7 | 79% | 0.786 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -4.1 | 171.8 | -68.3 | -20.8 | 0 | 0 | 0 | 114.4 | D140 V144 | D140-N142 PolarHBondContact O-N 3.2Å; N142-V144 PolarHBondContact O-N 3.35Å |
| 143 | L | 57.7 | Low | 64.8 | Low | 123 Ų | 123 | 116.4 Ų | 116.4 | 64% | 0.644 | 63% | 0.625 | S | S | * | * | trans | -77.2 | 60.2 | 170.2 | -154.7 | 83.2 | 0 | 0 | 0 | 109.8 | D140 F145 | D140-L143 PolarHBondContact O-N 3.12Å; L143-F145 HydrophobicContact CD2-CE2 4Å; L143-F145 HydrophobicContact CD2-CZ 3.83Å; L143-F145 HydrophobicContact CG-CE2 4.45Å; L143-F145 HydrophobicContact CG-CZ 4.4Å; L143-F145 PolarHBondContact O-N 3.45Å | ||
| 144 | V | 66.8 | Low | 66.7 | Low | 114 Ų | 114 | 118 Ų | 118 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | trans | -84 | 102.5 | 163.9 | -179 | 0 | 0 | 0 | 0 | 105 | N142 D146 | N142-V144 PolarHBondContact O-N 3.35Å; V144-D146 PolarHBondContact O-N 3.41Å; V144-D146 VanDerWaalsContact O-N 3.09Å | ||
| 145 | F | 64.4 | Low | 68.6 | Low | 113 Ų | 113 | 113.6 Ų | 113.6 | 50% | 0.496 | 61% | 0.609 | S | S | . | * | trans | -54.8 | 116.9 | 165.9 | -65.1 | -81.3 | 0 | 0 | 0 | 107.3 | L143 D149 V150 L153 | L143-F145 HydrophobicContact CD2-CE2 4Å; L143-F145 HydrophobicContact CD2-CZ 3.83Å; L143-F145 HydrophobicContact CG-CE2 4.45Å; L143-F145 HydrophobicContact CG-CZ 4.4Å; L143-F145 PolarHBondContact O-N 3.45Å; F145-D149 HydrophobicContact CB-CB 4.23Å; F145-D149 HydrophobicContact CD1-CB 3.99Å; F145-V150 HydrophobicContact CB-CG2 4.21Å; F145-L153 HydrophobicContact CE1-CD1 4.46Å | ||
| 146 | D | 79.4 | Confident | 70.2 | Confident | 79 Ų | 79 | 111.7 Ų | 111.7 | 42% | 0.422 | 60% | 0.6 | S | S | . | * | trans | -75.9 | 168.9 | 170 | 60.4 | 22 | 0 | 0 | 0 | 109.8 | V144 E148 D149 V150 | V144-D146 PolarHBondContact O-N 3.41Å; V144-D146 VanDerWaalsContact O-N 3.09Å; D146-E148 PolarHBondContact O-N 3.09Å; D146-E148 PolarHBondContact OD1-N 2.84Å; D146-D149 PolarHBondContact N-OD2 3.27Å; D146-D149 PolarHBondContact O-N 2.87Å; D146-D149 PolarHBondContact OD1-N 2.89Å; D146-V150 PolarHBondContact O-N 2.96Å | ||
| 147 | D | 81.6 | Confident | 72 | Confident | 139 Ų | 139 | 111.1 Ų | 111.1 | 74% | 0.743 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.9 | -24.1 | -178.7 | -64.6 | -31.6 | 0 | 0 | 0 | 111.2 | E151 | D147-E151 WeakPolarHBondContact O-CG 3.31Å; D147-E151 PolarHBondContact O-N 3.1Å; D147-E151 VanDerWaalsContact O-N 3.13Å |
| 148 | E | 79.4 | Confident | 73.8 | Confident | 152 Ų | 152 | 108.6 Ų | 108.6 | 71% | 0.71 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.9 | -41.4 | 176.6 | -62.9 | -176.5 | -175.3 | 0 | 0 | 111.7 | D146 V150 E151 A152 | D146-E148 PolarHBondContact O-N 3.09Å; D146-E148 PolarHBondContact OD1-N 2.84Å; E148-V150 VanDerWaalsContact C-N 3.3Å; E148-V150 PolarHBondContact O-N 2.78Å; E148-E151 PolarHBondContact O-N 3.09Å; E148-A152 PolarHBondContact O-N 3.25Å |
| 149 | D | 80.2 | Confident | 75.5 | Confident | 73 Ų | 73 | 109.2 Ų | 109.2 | 39% | 0.39 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.7 | -38.1 | 174.6 | -70 | -36.7 | 0 | 0 | 0 | 112 | F145 D146 A152 L153 | F145-D149 HydrophobicContact CB-CB 4.23Å; F145-D149 HydrophobicContact CD1-CB 3.99Å; D146-D149 PolarHBondContact N-OD2 3.27Å; D146-D149 PolarHBondContact O-N 2.87Å; D146-D149 PolarHBondContact OD1-N 2.89Å; D149-A152 PolarHBondContact O-N 3.07Å; D149-L153 WeakPolarHBondContact O-CG 3.45Å; D149-L153 PolarHBondContact O-N 2.89Å; D149-L153 VanDerWaalsContact O-N 3.11Å |
| 150 | V | 82 | Confident | 77 | Confident | 66 Ų | 66 | 108 Ų | 108 | 40% | 0.4 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.8 | -42.5 | 178.6 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | F145 D146 E148 A152 L153 D154 | F145-V150 HydrophobicContact CB-CG2 4.21Å; D146-V150 PolarHBondContact O-N 2.96Å; E148-V150 VanDerWaalsContact C-N 3.3Å; E148-V150 PolarHBondContact O-N 2.78Å; V150-A152 VanDerWaalsContact C-N 3.31Å; V150-A152 PolarHBondContact O-N 3.46Å; V150-L153 PolarHBondContact O-N 3.13Å; V150-D154 PolarHBondContact O-N 2.77Å |
| 151 | E | 81.6 | Confident | 78.3 | Confident | 145 Ų | 145 | 105.9 Ų | 105.9 | 68% | 0.678 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.1 | -36.6 | 175.4 | -74.9 | -175.7 | -177.8 | 0 | 0 | 112.2 | D147 E148 D154 A155 | D147-E151 WeakPolarHBondContact O-CG 3.31Å; D147-E151 PolarHBondContact O-N 3.1Å; D147-E151 VanDerWaalsContact O-N 3.13Å; E148-E151 PolarHBondContact O-N 3.09Å; E151-D154 PolarHBondContact O-N 2.97Å; E151-A155 WeakPolarHBondContact O-CB 3.47Å; E151-A155 PolarHBondContact O-N 2.83Å |
| 152 | A | 85.2 | Confident | 79.5 | Confident | 52 Ų | 52 | 102.8 Ų | 102.8 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | E148 D149 V150 A155 E156 | E148-A152 PolarHBondContact O-N 3.25Å; D149-A152 PolarHBondContact O-N 3.07Å; V150-A152 VanDerWaalsContact C-N 3.31Å; V150-A152 PolarHBondContact O-N 3.46Å; A152-A155 PolarHBondContact O-N 2.75Å; A152-E156 PolarHBondContact O-N 3.3Å |
| 153 | L | 82.8 | Confident | 80.6 | Confident | 84 Ų | 84 | 99.8 Ų | 99.8 | 44% | 0.44 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.8 | -75.6 | 171.4 | 0 | 0 | 0 | 112.4 | F145 D149 V150 A155 E156 L157 | F145-L153 HydrophobicContact CE1-CD1 4.46Å; D149-L153 WeakPolarHBondContact O-CG 3.45Å; D149-L153 PolarHBondContact O-N 2.89Å; D149-L153 VanDerWaalsContact O-N 3.11Å; V150-L153 PolarHBondContact O-N 3.13Å; L153-A155 VanDerWaalsContact C-N 3.33Å; L153-A155 PolarHBondContact O-N 2.8Å; L153-E156 PolarHBondContact O-N 3.14Å; L153-L157 WeakPolarHBondContact O-CB 3.48Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.36Å; L153-L157 PolarHBondContact O-N 3.02Å |
| 154 | D | 86.3 | Confident | 81.6 | Confident | 93 Ų | 93 | 101.2 Ų | 101.2 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.1 | -37.4 | 176.7 | -86.1 | -11.2 | 0 | 0 | 0 | 111.6 | V150 E151 L157 I158 | V150-D154 PolarHBondContact O-N 2.77Å; E151-D154 PolarHBondContact O-N 2.97Å; D154-L157 PolarHBondContact O-N 3.02Å; D154-I158 WeakPolarHBondContact O-CD1 3.29Å; D154-I158 VanDerWaalsContact O-CG1 3.24Å; D154-I158 WeakPolarHBondContact O-CG1 3.41Å; D154-I158 PolarHBondContact O-N 3.24Å |
| 155 | A | 86.4 | Confident | 81.5 | Confident | 48 Ų | 48 | 105.9 Ų | 105.9 | 40% | 0.397 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.4 | -46.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E151 A152 L153 L157 I158 E159 | E151-A155 WeakPolarHBondContact O-CB 3.47Å; E151-A155 PolarHBondContact O-N 2.83Å; A152-A155 PolarHBondContact O-N 2.75Å; L153-A155 VanDerWaalsContact C-N 3.33Å; L153-A155 PolarHBondContact O-N 2.8Å; A155-L157 VanDerWaalsContact C-N 3.32Å; A155-L157 PolarHBondContact O-N 3.18Å; A155-I158 PolarHBondContact O-N 2.92Å; A155-E159 PolarHBondContact O-N 3.29Å |
| 156 | E | 83.6 | Confident | 82.4 | Confident | 118 Ų | 118 | 105.6 Ų | 105.6 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.4 | -40.5 | 176 | -71.9 | -174.9 | -179.4 | 0 | 0 | 111.8 | A152 L153 E159 L160 | A152-E156 PolarHBondContact O-N 3.3Å; L153-E156 PolarHBondContact O-N 3.14Å; E156-E159 PolarHBondContact O-N 3.16Å; E156-L160 WeakPolarHBondContact O-CG 3.28Å; E156-L160 PolarHBondContact O-N 2.99Å |
| 157 | L | 84.2 | Confident | 82.6 | Confident | 98 Ų | 98 | 106.9 Ų | 106.9 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.7 | -41.4 | 175.8 | -75.6 | 172.2 | 0 | 0 | 0 | 111.8 | L153 D154 A155 L160 T161 | L153-L157 WeakPolarHBondContact O-CB 3.48Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.36Å; L153-L157 PolarHBondContact O-N 3.02Å; D154-L157 PolarHBondContact O-N 3.02Å; A155-L157 VanDerWaalsContact C-N 3.32Å; A155-L157 PolarHBondContact O-N 3.18Å; L157-L160 PolarHBondContact O-N 2.78Å; L157-T161 WeakPolarHBondContact O-CG2 3.18Å; L157-T161 PolarHBondContact O-N 3.23Å; L157-T161 PolarHBondContact O-OG1 3.04Å |
| 158 | I | 88.1 | Confident | 82.6 | Confident | 99 Ų | 99 | 105.2 Ų | 105.2 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.6 | -48.3 | 176.3 | -70.7 | 163.7 | 0 | 0 | 0 | 110.3 | D154 A155 L160 T161 D162 | D154-I158 WeakPolarHBondContact O-CD1 3.29Å; D154-I158 VanDerWaalsContact O-CG1 3.24Å; D154-I158 WeakPolarHBondContact O-CG1 3.41Å; D154-I158 PolarHBondContact O-N 3.24Å; A155-I158 PolarHBondContact O-N 2.92Å; I158-L160 VanDerWaalsContact C-N 3.33Å; I158-L160 PolarHBondContact O-N 3.1Å; I158-T161 PolarHBondContact O-N 3.04Å; I158-T161 VanDerWaalsContact O-N 3.12Å; I158-T161 PolarHBondContact O-OG1 2.83Å; I158-D162 PolarHBondContact O-N 3.09Å |
| 159 | E | 84.8 | Confident | 82.8 | Confident | 144 Ų | 144 | 102.4 Ų | 102.4 | 67% | 0.673 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.4 | -44 | 178.5 | -70.8 | -174.3 | 177 | 0 | 0 | 112.2 | A155 E156 D162 A163 | A155-E159 PolarHBondContact O-N 3.29Å; E156-E159 PolarHBondContact O-N 3.16Å; E159-D162 PolarHBondContact O-N 2.97Å; E159-A163 WeakPolarHBondContact O-CB 3.43Å; E159-A163 PolarHBondContact O-N 3.02Å |
| 160 | L | 86.6 | Confident | 83 | Confident | 112 Ų | 112 | 104.3 Ų | 104.3 | 59% | 0.586 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.5 | -37.9 | 176.1 | -69.1 | 175 | 0 | 0 | 0 | 112.3 | E156 L157 I158 A163 L164 | E156-L160 WeakPolarHBondContact O-CG 3.28Å; E156-L160 PolarHBondContact O-N 2.99Å; L157-L160 PolarHBondContact O-N 2.78Å; I158-L160 VanDerWaalsContact C-N 3.33Å; I158-L160 PolarHBondContact O-N 3.1Å; L160-A163 PolarHBondContact O-N 3.23Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.82Å |
| 161 | T | 85.3 | Confident | 83 | Confident | 72 Ų | 72 | 106.8 Ų | 106.8 | 44% | 0.442 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.2 | -31.8 | 177.9 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | L157 I158 L164 | L157-T161 WeakPolarHBondContact O-CG2 3.18Å; L157-T161 PolarHBondContact O-N 3.23Å; L157-T161 PolarHBondContact O-OG1 3.04Å; I158-T161 PolarHBondContact O-N 3.04Å; I158-T161 VanDerWaalsContact O-N 3.12Å; I158-T161 PolarHBondContact O-OG1 2.83Å; T161-L164 PolarHBondContact O-N 2.93Å |
| 162 | D | 84.2 | Confident | 83.1 | Confident | 88 Ų | 88 | 104.1 Ų | 104.1 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -76.4 | -30.7 | 174.7 | -82.5 | -14.2 | 0 | 0 | 0 | 111.8 | I158 E159 L164 K165 | I158-D162 PolarHBondContact O-N 3.09Å; E159-D162 PolarHBondContact O-N 2.97Å; D162-L164 PolarHBondContact O-N 3.19Å; D162-K165 PolarHBondContact O-N 2.8Å; D162-K165 IonicContact OD1-NZ 2.77Å; D162-K165 PolarHBondContact OD1-NZ 3.24Å |
| 163 | A | 81.6 | Confident | 83 | Confident | 83 Ų | 83 | 108.1 Ų | 108.1 | 69% | 0.686 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.3 | -20.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E159 L160 | E159-A163 WeakPolarHBondContact O-CB 3.43Å; E159-A163 PolarHBondContact O-N 3.02Å; L160-A163 PolarHBondContact O-N 3.23Å |
| 164 | L | 78.7 | Confident | 83 | Confident | 153 Ų | 153 | 110.1 Ų | 110.1 | 80% | 0.801 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -10.6 | 178.4 | -76.2 | 168.1 | 0 | 0 | 0 | 114.1 | L160 T161 D162 | L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.82Å; T161-L164 PolarHBondContact O-N 2.93Å; D162-L164 PolarHBondContact O-N 3.19Å |
| 165 | K | 66.2 | Low | 82.7 | Confident | 213 Ų | 213 | 111.6 Ų | 111.6 | 93% | 0.926 | 60% | 0.596 | S | S | * | * | trans | -88.6 | 0 | 176.2 | -72.1 | 176.4 | -166.4 | 143.9 | 0 | 111.7 | D162 | D162-K165 PolarHBondContact O-N 2.8Å; D162-K165 IonicContact OD1-NZ 2.77Å; D162-K165 PolarHBondContact OD1-NZ 3.24Å |
Retrieved 165 of 165 residues in 103.7 ms
(Link to these results)