| 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 | 45.5 | Very low | 53.6 | Low | 242 Ų | 242 | 181.3 Ų | 181.3 | 100% | 1.192 | 89% | 0.887 | S | S | * | * | 0 | 110.6 | 0 | -75 | -70.6 | 177 | 0 | 0 | 107.4 | |||||
| 2 | Y | 52.1 | Low | 53.7 | Low | 241 Ų | 241 | 173.7 Ų | 173.7 | 95% | 0.945 | 88% | 0.875 | S | S | * | * | trans | -69 | 126.3 | 172.3 | -71 | -94 | 0 | 0 | 0 | 108.7 | ||||
| 3 | G | 50.4 | Low | 53.8 | Low | 77 Ų | 77 | 169.8 Ų | 169.8 | 79% | 0.794 | 87% | 0.869 | S | S | * | * | trans | -124.8 | 101.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 4 | E | 51.1 | Low | 54 | Low | 206 Ų | 206 | 173.9 Ų | 173.9 | 96% | 0.963 | 87% | 0.87 | S | S | * | * | trans | -70.8 | 127.7 | 171.5 | -66.3 | -175.6 | 132.9 | 0 | 0 | 110.2 | ||||
| 5 | G | 41.3 | Very low | 54.1 | Low | 68 Ų | 68 | 178.5 Ų | 178.5 | 70% | 0.701 | 87% | 0.873 | S | S | * | * | trans | 162.5 | 155.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 6 | P | 54.4 | Low | 53.5 | Low | 119 Ų | 119 | 170.9 Ų | 170.9 | 77% | 0.773 | 86% | 0.856 | S | S | * | * | cis | -111.7 | 147.2 | -4.6 | 27.5 | -9.8 | 0 | 0 | 0 | 112.3 | F8 | P6-F8 PolarHBondContact O-N 3.41Å; P6-F8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | R | 59.3 | Low | 53.6 | Low | 239 Ų | 239 | 175.2 Ų | 175.2 | 90% | 0.902 | 86% | 0.86 | S | S | * | * | trans | -62.3 | 111.6 | 173.3 | -67.1 | -174.3 | -176.2 | 169.1 | 2.7 | 109.9 | R9 | R7-R9 PolarHBondContact O-N 2.95Š| ||
| 8 | F | 58.8 | Low | 52.9 | Low | 200 Ų | 200 | 168.9 Ų | 168.9 | 88% | 0.877 | 85% | 0.848 | S | S | * | * | trans | -52 | 110.4 | 166.3 | -107.3 | -101.8 | 0 | 0 | 0 | 109.2 | P6 P10 | P6-F8 PolarHBondContact O-N 3.41Å; P6-F8 VanDerWaalsContact O-N 3.09Å; F8-P10 WeakPolarHBondContact O-CD 3.45Å | ||
| 9 | R | 60.1 | Low | 52.5 | Low | 233 Ų | 233 | 166.9 Ų | 166.9 | 88% | 0.879 | 85% | 0.85 | S | S | * | * | trans | -90.6 | 113.3 | 163.6 | -72.2 | -169.3 | 179.1 | -169.7 | 1 | 107.5 | R7 R11 | R7-R9 PolarHBondContact O-N 2.95Å; R9-R11 PolarHBondContact O-N 3.09Å | ||
| 10 | P | 57.5 | Low | 52.5 | Low | 123 Ų | 123 | 166.5 Ų | 166.5 | 80% | 0.799 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -61 | 133.3 | 175.7 | 21.8 | -29.6 | 0 | 0 | 0 | 110.3 | F8 A12 | F8-P10 WeakPolarHBondContact O-CD 3.45Å; P10-A12 PolarHBondContact O-N 2.95Å |
| 11 | R | 59.4 | Low | 52 | Low | 246 Ų | 246 | 167.3 Ų | 167.3 | 93% | 0.928 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -63 | 130.7 | 173.6 | -88.1 | -178.9 | 171 | -169.7 | -2.2 | 109.2 | R9 | R9-R11 PolarHBondContact O-N 3.09Š|
| 12 | A | 54.9 | Low | 52.5 | Low | 90 Ų | 90 | 161.6 Ų | 161.6 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 139.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P10 Y14 | P10-A12 PolarHBondContact O-N 2.95Å; A12-Y14 PolarHBondContact O-N 3.12Å |
| 13 | P | 54.3 | Low | 52.3 | Low | 123 Ų | 123 | 154.9 Ų | 154.9 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61 | 134.4 | -177.8 | 22.1 | -31 | 0 | 0 | 0 | 110.9 | R15 | P13-R15 PolarHBondContact O-N 3.18Å; P13-R15 VanDerWaalsContact O-N 3.07Å |
| 14 | Y | 57.3 | Low | 52.5 | Low | 227 Ų | 227 | 160.5 Ų | 160.5 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | trans | -52.1 | 110.7 | 176.7 | -158.3 | -106.4 | 0 | 0 | 0 | 109.2 | A12 G16 | A12-Y14 PolarHBondContact O-N 3.12Å; Y14-G16 PolarHBondContact O-N 3.41Å | ||
| 15 | R | 55.8 | Low | 52.6 | Low | 243 Ų | 243 | 158.6 Ų | 158.6 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -69.4 | 84.1 | 164.4 | -84.8 | -167.6 | -175.7 | -163.3 | 2.4 | 107.4 | P13 R17 | P13-R15 PolarHBondContact O-N 3.18Å; P13-R15 VanDerWaalsContact O-N 3.07Å; R15-R17 PolarHBondContact O-N 3.29Å | ||
| 16 | G | 43.6 | Very low | 52.9 | Low | 58 Ų | 58 | 158.7 Ų | 158.7 | 60% | 0.598 | 81% | 0.813 | S | S | * | * | trans | -54.9 | 106.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | Y14 G18 | Y14-G16 PolarHBondContact O-N 3.41Å; G16-G18 PolarHBondContact O-N 3.41Å | ||
| 17 | R | 55.8 | Low | 52.9 | Low | 243 Ų | 243 | 163.4 Ų | 163.4 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -69.4 | 96.3 | 151.2 | -85.4 | -174.4 | -163.7 | -123.9 | 2.8 | 104.4 | R15 C19 | R15-R17 PolarHBondContact O-N 3.29Å; R17-C19 PolarHBondContact O-N 3.06Å | ||
| 18 | G | 41.3 | Very low | 52.6 | Low | 63 Ų | 63 | 157.1 Ų | 157.1 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | trans | -47.3 | 126.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | G16 L20 | G16-G18 PolarHBondContact O-N 3.41Å; G18-L20 PolarHBondContact O-N 3.45Å | ||
| 19 | C | 44.2 | Very low | 52.6 | Low | 130 Ų | 130 | 155.7 Ų | 155.7 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | trans | -50 | 103.5 | 149.4 | -78.7 | 0 | 0 | 0 | 0 | 105.5 | R17 E21 | R17-C19 PolarHBondContact O-N 3.06Å; C19-E21 VanDerWaalsContact C-N 3.25Å; C19-E21 PolarHBondContact O-N 2.66Å | ||
| 20 | L | 53.4 | Low | 52.7 | Low | 158 Ų | 158 | 152.3 Ų | 152.3 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -56.8 | 106.2 | 155.2 | -78.1 | 161.6 | 0 | 0 | 0 | 103.9 | G18 V22 | G18-L20 PolarHBondContact O-N 3.45Å; L20-V22 VanDerWaalsContact C-N 3.25Å; L20-V22 PolarHBondContact O-N 3.19Å | ||
| 21 | E | 41.9 | Very low | 52.5 | Low | 184 Ų | 184 | 151.5 Ų | 151.5 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -50.6 | 103.3 | 157.8 | -84.2 | -145.6 | 102.8 | 0 | 0 | 106 | C19 P23 | C19-E21 VanDerWaalsContact C-N 3.25Å; C19-E21 PolarHBondContact O-N 2.66Å; E21-P23 VanDerWaalsContact O-CD 3.29Å; E21-P23 WeakPolarHBondContact O-CD 3.47Å | ||
| 22 | V | 55.6 | Low | 52.4 | Low | 122 Ų | 122 | 146.5 Ų | 146.5 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | -73.3 | 115.8 | 165.4 | -175.4 | 0 | 0 | 0 | 0 | 104 | L20 Q24 | L20-V22 VanDerWaalsContact C-N 3.25Å; L20-V22 PolarHBondContact O-N 3.19Å; V22-Q24 PolarHBondContact O-N 3.42Å | ||
| 23 | P | 48.1 | Very low | 52 | Low | 100 Ų | 100 | 145.5 Ų | 145.5 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | -56.1 | 130.4 | 177 | -20.8 | 32.3 | 0 | 0 | 0 | 108.1 | E21 M25 | E21-P23 VanDerWaalsContact O-CD 3.29Å; E21-P23 WeakPolarHBondContact O-CD 3.47Å; P23-M25 PolarHBondContact O-N 3.49Å | ||
| 24 | Q | 54.6 | Low | 52.1 | Low | 196 Ų | 196 | 148.1 Ų | 148.1 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -63.4 | 82.1 | 167.9 | -67.7 | 179 | 21.7 | 0 | 0 | 107.7 | V22 G26 | V22-Q24 PolarHBondContact O-N 3.42Å; Q24-G26 PolarHBondContact O-N 3.48Å | ||
| 25 | M | 53.5 | Low | 51.7 | Low | 165 Ų | 165 | 145.9 Ų | 145.9 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -61.8 | 105.4 | 166.4 | -87.1 | -81.8 | 178.4 | 0 | 0 | 106.2 | P23 Y27 | P23-M25 PolarHBondContact O-N 3.49Å; M25-Y27 PolarHBondContact O-N 3.1Å | ||
| 26 | G | 46.6 | Very low | 51.4 | Low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 119.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q24 | Q24-G26 PolarHBondContact O-N 3.48Š|
| 27 | Y | 55.6 | Low | 51.6 | Low | 218 Ų | 218 | 147 Ų | 147 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 126.3 | 164.4 | -66.5 | -83.8 | 0 | 0 | 0 | 107.5 | M25 I29 | M25-Y27 PolarHBondContact O-N 3.1Å; Y27-I29 PolarHBondContact O-N 3.45Å |
| 28 | P | 51.5 | Low | 51.3 | Low | 107 Ų | 107 | 138.7 Ų | 138.7 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 129.9 | 175.5 | 24.7 | -31.7 | 0 | 0 | 0 | 109 | M30 | P28-M30 VanDerWaalsContact C-N 3.33Å; P28-M30 PolarHBondContact O-N 3.21Å |
| 29 | I | 60.2 | Low | 51.7 | Low | 170 Ų | 170 | 143.3 Ų | 143.3 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -61 | 95.7 | 172.3 | -62 | 164.5 | 0 | 0 | 0 | 106.7 | Y27 | Y27-I29 PolarHBondContact O-N 3.45Š| ||
| 30 | M | 62.2 | Low | 52.4 | Low | 163 Ų | 163 | 144.2 Ų | 144.2 | 80% | 0.803 | 80% | 0.798 | S | S | * | * | trans | -76.6 | 129.6 | 174.5 | -66.3 | -142.5 | 79.5 | 0 | 0 | 109 | P28 | P28-M30 VanDerWaalsContact C-N 3.33Å; P28-M30 PolarHBondContact O-N 3.21Å | ||
| 31 | P | 53.7 | Low | 52.3 | Low | 105 Ų | 105 | 146.4 Ų | 146.4 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | trans | -66.9 | 148.6 | -175.2 | 25.5 | -33.2 | 0 | 0 | 0 | 112.3 | G33 | P31-G33 PolarHBondContact O-N 3.22Å; P31-G33 VanDerWaalsContact O-N 3.14Å | ||
| 32 | P | 57.3 | Low | 53 | Low | 142 Ų | 142 | 144.8 Ų | 144.8 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -76.9 | 100.3 | -177.1 | 30.4 | -32 | 0 | 0 | 0 | 110.1 | ||
| 33 | G | 45.9 | Very low | 53.2 | Low | 68 Ų | 68 | 148.7 Ų | 148.7 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 173 | 112.3 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | P31 | P31-G33 PolarHBondContact O-N 3.22Å; P31-G33 VanDerWaalsContact O-N 3.14Å | ||
| 34 | H | 56.6 | Low | 53.7 | Low | 178 Ų | 178 | 151.5 Ų | 151.5 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | 81.4 | 79.4 | 164 | -129.8 | 57.8 | 0 | 0 | 0 | 116.7 | P36 | H34-P36 WeakPolarHBondContact O-CD 3.25Š| ||
| 35 | M | 48.5 | Very low | 53.8 | Low | 181 Ų | 181 | 146.1 Ų | 146.1 | 89% | 0.892 | 79% | 0.786 | S | S | * | * | trans | -89.9 | 105.9 | 151.9 | -69.5 | -76.1 | -145.3 | 0 | 0 | 107.4 | F37 | M35-F37 PolarHBondContact O-N 3.17Š| ||
| 36 | P | 49.8 | Very low | 54.2 | Low | 100 Ų | 100 | 144.1 Ų | 144.1 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -67.3 | 121.1 | 169.4 | 27.5 | -30.9 | 0 | 0 | 0 | 108.4 | H34 G38 | H34-P36 WeakPolarHBondContact O-CD 3.25Å; P36-G38 PolarHBondContact O-N 3.32Å | ||
| 37 | F | 47 | Very low | 55 | Low | 224 Ų | 224 | 148.6 Ų | 148.6 | 98% | 0.982 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -58.2 | 95.8 | 166.7 | -84.1 | -97.5 | 0 | 0 | 0 | 108.4 | M35 | M35-F37 PolarHBondContact O-N 3.17Š|
| 38 | G | 49.7 | Very low | 55.1 | Low | 68 Ų | 68 | 143.7 Ų | 143.7 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 174 | 19.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | P36 | P36-G38 PolarHBondContact O-N 3.32Š| ||
| 39 | E | 50.2 | Low | 55.5 | Low | 161 Ų | 161 | 149.3 Ų | 149.3 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -148.5 | 105.9 | 164.8 | -133.7 | 167 | 130.3 | 0 | 0 | 110.8 | R41 | E39-R41 HydrophobicContact CB-CG 4.39Å; E39-R41 PolarHBondContact O-N 3.47Å | ||
| 40 | V | 58.4 | Low | 55.6 | Low | 149 Ų | 149 | 152.9 Ų | 152.9 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | trans | -69.1 | 71.6 | 168.6 | -166.5 | 0 | 0 | 0 | 0 | 106.6 | N42 | V40-N42 PolarHBondContact O-N 2.98Š| ||
| 41 | R | 52.4 | Low | 55.4 | Low | 204 Ų | 204 | 147.5 Ų | 147.5 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -62.7 | 106.8 | 173.4 | -83.2 | -174.2 | 144.5 | -158.1 | -6.4 | 106.7 | E39 F43 | E39-R41 HydrophobicContact CB-CG 4.39Å; E39-R41 PolarHBondContact O-N 3.47Å; R41-F43 PolarHBondContact O-N 3.23Å | ||
| 42 | N | 55.3 | Low | 55.8 | Low | 149 Ų | 149 | 148.8 Ų | 148.8 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -9.4 | 99.6 | 166.3 | -72 | -52.3 | 0 | 0 | 0 | 112.1 | V40 Q44 | V40-N42 PolarHBondContact O-N 2.98Å; N42-Q44 VanDerWaalsContact C-N 3.28Å; N42-Q44 PolarHBondContact O-N 2.84Å | ||
| 43 | F | 59.3 | Low | 55.7 | Low | 204 Ų | 204 | 148.1 Ų | 148.1 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | -58.3 | 98.2 | 169.5 | -128.1 | -93.3 | 0 | 0 | 0 | 106.4 | R41 P45 | R41-F43 PolarHBondContact O-N 3.23Å; F43-P45 WeakPolarHBondContact O-CD 3.48Å | ||
| 44 | Q | 58.4 | Low | 56.4 | Low | 160 Ų | 160 | 147.6 Ų | 147.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -92.1 | 96.4 | 176.9 | -147.1 | 164 | 19.6 | 0 | 0 | 105.1 | N42 | N42-Q44 VanDerWaalsContact C-N 3.28Å; N42-Q44 PolarHBondContact O-N 2.84Å | ||
| 45 | P | 57.6 | Low | 56.7 | Low | 83 Ų | 83 | 145.4 Ų | 145.4 | 54% | 0.539 | 78% | 0.779 | S | S | . | * | trans | -60.5 | 145.2 | -177.2 | 25.1 | -34.5 | 0 | 0 | 0 | 109.8 | F43 F47 | F43-P45 WeakPolarHBondContact O-CD 3.48Å; P45-F47 HydrophobicContact CB-CD2 4.35Å; P45-F47 PolarHBondContact O-N 3.07Å | ||
| 46 | P | 62.7 | Low | 57.4 | Low | 122 Ų | 122 | 148.1 Ų | 148.1 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -71.3 | 11.9 | -168.9 | 29.7 | -36.8 | 0 | 0 | 0 | 114.6 | ||
| 47 | F | 62.8 | Low | 57.7 | Low | 165 Ų | 165 | 149.5 Ų | 149.5 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -90.4 | 123.7 | 179.5 | -58.3 | -69.9 | 0 | 0 | 0 | 109.9 | P45 R49 | P45-F47 HydrophobicContact CB-CD2 4.35Å; P45-F47 PolarHBondContact O-N 3.07Å; F47-R49 PolarHBondContact O-N 3.41Å |
| 48 | P | 57.5 | Low | 58.6 | Low | 115 Ų | 115 | 150.4 Ų | 150.4 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58 | 126.1 | 175.2 | 22.3 | -30.3 | 0 | 0 | 0 | 108.7 | R50 | P48-R50 PolarHBondContact O-N 2.95Š|
| 49 | R | 61 | Low | 58.9 | Low | 225 Ų | 225 | 150.7 Ų | 150.7 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 116.2 | 175.7 | -70.6 | -176 | -178.2 | -109 | 2.1 | 107.7 | F47 G51 | F47-R49 PolarHBondContact O-N 3.41Å; R49-G51 PolarHBondContact O-N 3.03Å |
| 50 | R | 62.2 | Low | 59.3 | Low | 244 Ų | 244 | 153.3 Ų | 153.3 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -57.3 | 107.2 | 169.6 | -72 | -175.4 | -165.9 | -157 | 3.9 | 106.2 | P48 | P48-R50 PolarHBondContact O-N 2.95Š| ||
| 51 | G | 57.5 | Low | 59.2 | Low | 50 Ų | 50 | 152.1 Ų | 152.1 | 52% | 0.515 | 79% | 0.787 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 155.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R49 C53 | R49-G51 PolarHBondContact O-N 3.03Å; G51-C53 PolarHBondContact O-N 2.87Å; G51-C53 VanDerWaalsContact O-N 3.16Å |
| 52 | P | 62.7 | Low | 59.7 | Low | 133 Ų | 133 | 153.8 Ų | 153.8 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 122.3 | -177 | 23.2 | -32.4 | 0 | 0 | 0 | 110.3 | G54 | P52-G54 PolarHBondContact O-N 3.22Š|
| 53 | C | 55.1 | Low | 59.9 | Low | 127 Ų | 127 | 156.5 Ų | 156.5 | 86% | 0.858 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 122.1 | 176.8 | -36.3 | 0 | 0 | 0 | 0 | 109.1 | G51 | G51-C53 PolarHBondContact O-N 2.87Å; G51-C53 VanDerWaalsContact O-N 3.16Å |
| 54 | G | 59.1 | Low | 59.6 | Low | 58 Ų | 58 | 155.5 Ų | 155.5 | 60% | 0.598 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 152.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P52 R56 | P52-G54 PolarHBondContact O-N 3.22Å; G54-R56 PolarHBondContact O-N 2.54Å |
| 55 | P | 63.2 | Low | 59.5 | Low | 132 Ų | 132 | 156.5 Ų | 156.5 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63 | 133.4 | -172.4 | 24.1 | -32.5 | 0 | 0 | 0 | 112.1 | ||
| 56 | R | 62.6 | Low | 59.5 | Low | 238 Ų | 238 | 164.3 Ų | 164.3 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 139.7 | 177 | -69.5 | -176.5 | 171.4 | -157.5 | -1.7 | 110.8 | G54 R58 | G54-R56 PolarHBondContact O-N 2.54Å; R56-R58 PolarHBondContact O-N 2.89Å |
| 57 | P | 58.2 | Low | 59.3 | Low | 129 Ų | 129 | 167.2 Ų | 167.2 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 131.2 | -179.8 | 22.8 | -31.5 | 0 | 0 | 0 | 111.7 | G59 | P57-G59 PolarHBondContact O-N 3.06Š|
| 58 | R | 65.5 | Low | 59 | Low | 243 Ų | 243 | 164.2 Ų | 164.2 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -55 | 126.1 | 178.1 | -95.7 | 179.2 | -177.7 | -175.5 | 1 | 110.5 | R56 | R56-R58 PolarHBondContact O-N 2.89Š|
| 59 | G | 54.5 | Low | 59.1 | Low | 73 Ų | 73 | 161.8 Ų | 161.8 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 134.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P57 | P57-G59 PolarHBondContact O-N 3.06Š|
| 60 | Y | 60.2 | Low | 58.7 | Low | 217 Ų | 217 | 157.2 Ų | 157.2 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 139.6 | 170.6 | -71.6 | -92.1 | 0 | 0 | 0 | 110.7 | R62 | Y60-R62 PolarHBondContact O-N 2.7Š|
| 61 | P | 56.5 | Low | 58.8 | Low | 123 Ų | 123 | 151 Ų | 151 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 125.4 | -179.2 | 26.3 | -32.3 | 0 | 0 | 0 | 111.1 | R63 | P61-R63 PolarHBondContact O-N 3.02Š|
| 62 | R | 62.8 | Low | 59 | Low | 240 Ų | 240 | 158.1 Ų | 158.1 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 121.2 | 174 | -75.7 | -172.4 | 172.7 | -149.5 | -0.4 | 109.8 | Y60 M64 | Y60-R62 PolarHBondContact O-N 2.7Å; R62-M64 PolarHBondContact O-N 3.38Å |
| 63 | R | 59.3 | Low | 58.9 | Low | 205 Ų | 205 | 162.7 Ų | 162.7 | 77% | 0.774 | 82% | 0.82 | S | S | * | * | trans | -60.8 | 113 | 175.9 | -155.4 | 179.7 | -146.4 | -159.8 | 7.1 | 109.8 | P61 Y65 | P61-R63 PolarHBondContact O-N 3.02Å; R63-Y65 PolarHBondContact O-N 3.2Å; R63-Y65 VanDerWaalsContact O-N 3.09Å | ||
| 64 | M | 52.2 | Low | 59.2 | Low | 184 Ų | 184 | 161.7 Ų | 161.7 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -71.5 | 94 | 174.6 | -78.2 | -97.2 | 159.3 | 0 | 0 | 109.8 | R62 R66 | R62-M64 PolarHBondContact O-N 3.38Å; M64-R66 PolarHBondContact O-N 2.59Å | ||
| 65 | Y | 57.2 | Low | 59.1 | Low | 180 Ų | 180 | 163.7 Ų | 163.7 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -75.1 | 104.2 | 162.2 | -93.9 | -90.3 | 0 | 0 | 0 | 108.3 | R63 Q67 | R63-Y65 PolarHBondContact O-N 3.2Å; R63-Y65 VanDerWaalsContact O-N 3.09Å; Y65-Q67 PolarHBondContact O-N 3.14Å | ||
| 66 | R | 55.8 | Low | 58.8 | Low | 248 Ų | 248 | 163.4 Ų | 163.4 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | trans | -58.8 | 102.6 | 166.1 | -116 | -179.1 | -178.3 | 179.7 | 0.8 | 108 | M64 A68 | M64-R66 PolarHBondContact O-N 2.59Å; R66-A68 PolarHBondContact O-N 3.09Å | ||
| 67 | Q | 59.3 | Low | 58.2 | Low | 183 Ų | 183 | 161.6 Ų | 161.6 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -84.9 | 102.3 | 169.1 | -72.7 | 177.6 | 5.1 | 0 | 0 | 108 | Y65 G69 | Y65-Q67 PolarHBondContact O-N 3.14Å; Q67-G69 VanDerWaalsContact C-N 3.25Å; Q67-G69 PolarHBondContact O-N 2.87Å | ||
| 68 | A | 57.4 | Low | 57.9 | Low | 102 Ų | 102 | 159 Ų | 159 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -71.2 | 89 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | R66 | R66-A68 PolarHBondContact O-N 3.09Š| ||
| 69 | G | 58.2 | Low | 56.9 | Low | 64 Ų | 64 | 155.2 Ų | 155.2 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | trans | -72.6 | 130.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q67 | Q67-G69 VanDerWaalsContact C-N 3.25Å; Q67-G69 PolarHBondContact O-N 2.87Å | ||
| 70 | P | 53.8 | Low | 56.9 | Low | 128 Ų | 128 | 157 Ų | 157 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -69.4 | 138.1 | -175.9 | 25.6 | -31.2 | 0 | 0 | 0 | 112.3 | Y72 | P70-Y72 PolarHBondContact O-N 2.9Å; P70-Y72 VanDerWaalsContact O-N 3.12Å | ||
| 71 | S | 63.7 | Low | 56.4 | Low | 114 Ų | 114 | 153.1 Ų | 153.1 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -64.2 | 104.9 | 179.5 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | R73 | S71-R73 PolarHBondContact O-N 2.73Š| ||
| 72 | Y | 61.1 | Low | 55.6 | Low | 200 Ų | 200 | 156.1 Ų | 156.1 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -69.2 | 112.2 | 173.8 | -168.6 | -97.6 | 0 | 0 | 0 | 109.8 | P70 | P70-Y72 PolarHBondContact O-N 2.9Å; P70-Y72 VanDerWaalsContact O-N 3.12Å | ||
| 73 | R | 61.8 | Low | 54.6 | Low | 228 Ų | 228 | 152.1 Ų | 152.1 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 120.9 | 166.6 | -88.9 | -168.4 | 177.4 | -145.4 | 1.2 | 108.7 | S71 | S71-R73 PolarHBondContact O-N 2.73Š|
| 74 | P | 60.4 | Low | 54 | Low | 106 Ų | 106 | 146.8 Ų | 146.8 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 139.1 | 177.6 | 26.4 | -31.4 | 0 | 0 | 0 | 111.1 | ||
| 75 | P | 57.5 | Low | 53.9 | Low | 100 Ų | 100 | 145.4 Ų | 145.4 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 150.6 | -177.6 | 28.4 | -33.1 | 0 | 0 | 0 | 112.9 | ||
| 76 | P | 57.3 | Low | 53.4 | Low | 127 Ų | 127 | 145.7 Ų | 145.7 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 135.1 | -177.2 | 28.7 | -33.1 | 0 | 0 | 0 | 112.2 | G78 | P76-G78 PolarHBondContact O-N 3.14Š|
| 77 | M | 50.2 | Low | 53.1 | Low | 200 Ų | 200 | 137.1 Ų | 137.1 | 99% | 0.985 | 79% | 0.785 | S | S | * | * | trans | -66.4 | 115.6 | -178.8 | -73.1 | -167 | 170.8 | 0 | 0 | 111.8 | ||||
| 78 | G | 51.7 | Low | 52.8 | Low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -121 | 150.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P76 | P76-G78 PolarHBondContact O-N 3.14Š| ||
| 79 | N | 44.2 | Very low | 52.8 | Low | 164 Ų | 164 | 135.8 Ų | 135.8 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -59 | 157.1 | -159.8 | -125.3 | -10.7 | 0 | 0 | 0 | 118.7 | ||||
| 80 | P | 54.9 | Low | 53.2 | Low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -98.9 | 113 | -175.9 | 35.1 | -25.6 | 0 | 0 | 0 | 114.1 | ||||
| 81 | V | 49.5 | Very low | 54.3 | Low | 136 Ų | 136 | 139.4 Ų | 139.4 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | -146.8 | 111.2 | 161.3 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 82 | K | 39 | Very low | 54.6 | Low | 185 Ų | 185 | 140 Ų | 140 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 29.6 | 121.8 | 145 | -69 | 176.4 | 176.8 | 179 | 0 | 122.7 | ||||
| 83 | L | 41.5 | Very low | 55 | Low | 157 Ų | 157 | 136.2 Ų | 136.2 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | 68.8 | 160.6 | 139 | -75.4 | 155.3 | 0 | 0 | 0 | 118.8 | ||||
| 84 | P | 48.3 | Very low | 55.2 | Low | 92 Ų | 92 | 133.6 Ų | 133.6 | 60% | 0.597 | 73% | 0.73 | S | S | * | * | cis | -132.6 | -169 | -28.6 | 35.5 | -16 | 0 | 0 | 0 | 112.3 | ||||
| 85 | E | 48.1 | Very low | 55.8 | Low | 156 Ų | 156 | 132.7 Ų | 132.7 | 73% | 0.729 | 72% | 0.722 | S | S | * | * | trans | 82.8 | 109.8 | 158 | -71.4 | -174.5 | 107.3 | 0 | 0 | 119.8 | ||||
| 86 | Q | 48.5 | Very low | 55.9 | Low | 185 Ų | 185 | 137.8 Ų | 137.8 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | 44.1 | 86.3 | 128.2 | -66.2 | -179.8 | -12.5 | 0 | 0 | 116.8 | |||||
| 87 | G | 48.3 | Very low | 56 | Low | 69 Ų | 69 | 136.3 Ų | 136.3 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | trans | -164.3 | 28.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 88 | T | 52.8 | Low | 56.3 | Low | 118 Ų | 118 | 133.2 Ų | 133.2 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | trans | -102.4 | 95.1 | 171.4 | 51.3 | 0 | 0 | 0 | 0 | 107.3 | D90 | T88-D90 PolarHBondContact O-N 3.28Š| ||
| 89 | D | 58.6 | Low | 56.3 | Low | 138 Ų | 138 | 138.2 Ų | 138.2 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | trans | -27.1 | 107.5 | 163.5 | -74.6 | -91.9 | 0 | 0 | 0 | 111.4 | K91 | D89-K91 HydrophobicContact CB-CB 4.35Å; D89-K91 PolarHBondContact O-N 2.88Å | ||
| 90 | D | 67 | Low | 56.6 | Low | 131 Ų | 131 | 135.5 Ų | 135.5 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -63.3 | 25.1 | 171.2 | -74.6 | -59.3 | 0 | 0 | 0 | 112.8 | T88 Y92 H93 | T88-D90 PolarHBondContact O-N 3.28Å; D90-Y92 VanDerWaalsContact C-N 3.25Å; D90-Y92 PolarHBondContact O-N 3.18Å; D90-H93 PolarHBondContact O-ND1 2.76Å |
| 91 | K | 76.8 | Confident | 56.3 | Low | 138 Ų | 138 | 133.4 Ų | 133.4 | 60% | 0.6 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -69.8 | -23 | 175.3 | -169.2 | 177.7 | -176.1 | -164.3 | 0 | 112.6 | D89 W94 | D89-K91 HydrophobicContact CB-CB 4.35Å; D89-K91 PolarHBondContact O-N 2.88Å; K91-W94 PolarHBondContact O-NE1 3.12Å |
| 92 | Y | 69.2 | Low | 56.1 | Low | 127 Ų | 127 | 132 Ų | 132 | 50% | 0.498 | 70% | 0.695 | S | S | . | * | G | 310 helix | trans | -125.5 | 21.4 | -172.4 | -60.7 | -75.6 | 0 | 0 | 0 | 114 | D90 W94 V95 | D90-Y92 VanDerWaalsContact C-N 3.25Å; D90-Y92 PolarHBondContact O-N 3.18Å; Y92-W94 AromaticContact CD1-CZ2 3.97Å; Y92-W94 HydrophobicContact CD1-CZ2 3.97Å; Y92-W94 HydrophobicContact CE1-CZ2 4.31Å; Y92-W94 PolarHBondContact O-N 2.99Å; Y92-V95 HydrophobicContact CD1-CG2 3.81Å; Y92-V95 HydrophobicContact CG-CG2 4.28Å; Y92-V95 WeakPolarHBondContact O-CA 2.85Å; Y92-V95 VanDerWaalsContact O-CB 3.25Å; Y92-V95 WeakPolarHBondContact O-CB 3.45Å; Y92-V95 PolarHBondContact O-N 2.97Å |
| 93 | H | 69.2 | Low | 56.5 | Low | 119 Ų | 119 | 128.3 Ų | 128.3 | 55% | 0.551 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -61.5 | -27.3 | 173.9 | 71 | -89.6 | 0 | 0 | 0 | 112.1 | D90 V95 R96 T97 | D90-H93 PolarHBondContact O-ND1 2.76Å; H93-V95 PolarHBondContact O-N 2.75Å; H93-R96 CarbonylContact O-C 3.46Å; H93-R96 PolarHBondContact O-N 2.69Å; H93-T97 PolarHBondContact O-N 3.25Å; H93-T97 VanDerWaalsContact O-N 3.12Å |
| 94 | W | 66 | Low | 56.7 | Low | 174 Ų | 174 | 125.6 Ų | 125.6 | 66% | 0.659 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -65.2 | -16.9 | 170.2 | 65.6 | -93 | 0 | 0 | 0 | 114.2 | K91 Y92 | K91-W94 PolarHBondContact O-NE1 3.12Å; Y92-W94 AromaticContact CD1-CZ2 3.97Å; Y92-W94 HydrophobicContact CD1-CZ2 3.97Å; Y92-W94 HydrophobicContact CE1-CZ2 4.31Å; Y92-W94 PolarHBondContact O-N 2.99Å |
| 95 | V | 72.3 | Confident | 56.8 | Low | 87 Ų | 87 | 129.3 Ų | 129.3 | 53% | 0.527 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -83.2 | -22.6 | 172 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | Y92 H93 | Y92-V95 HydrophobicContact CD1-CG2 3.81Å; Y92-V95 HydrophobicContact CG-CG2 4.28Å; Y92-V95 WeakPolarHBondContact O-CA 2.85Å; Y92-V95 VanDerWaalsContact O-CB 3.25Å; Y92-V95 WeakPolarHBondContact O-CB 3.45Å; Y92-V95 PolarHBondContact O-N 2.97Å; H93-V95 PolarHBondContact O-N 2.75Å |
| 96 | R | 61.2 | Low | 56.6 | Low | 206 Ų | 206 | 124.8 Ų | 124.8 | 78% | 0.777 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -102.6 | -6.6 | -174.4 | -82.7 | -169.6 | -179.4 | -162.3 | 1.9 | 115.1 | H93 D98 | H93-R96 CarbonylContact O-C 3.46Å; H93-R96 PolarHBondContact O-N 2.69Å; R96-D98 PolarHBondContact O-N 3.38Å |
| 97 | T | 58.8 | Low | 56.6 | Low | 96 Ų | 96 | 124.4 Ų | 124.4 | 59% | 0.589 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -63.7 | 97.1 | 154.3 | -31.2 | 0 | 0 | 0 | 0 | 104.5 | H93 Q99 | H93-T97 PolarHBondContact O-N 3.25Å; H93-T97 VanDerWaalsContact O-N 3.12Å; T97-Q99 PolarHBondContact O-N 3.07Å |
| 98 | D | 56.9 | Low | 56.6 | Low | 135 Ų | 135 | 127.3 Ų | 127.3 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | trans | -7.7 | 86.8 | 132 | -49.7 | -66.8 | 0 | 0 | 0 | 107.9 | R96 P100 | R96-D98 PolarHBondContact O-N 3.38Å; D98-P100 VanDerWaalsContact C-CD 3.45Å; D98-P100 WeakPolarHBondContact O-CD 3.29Å; D98-P100 VanDerWaalsContact O-N 3.08Å | ||
| 99 | Q | 51 | Low | 56.6 | Low | 178 Ų | 178 | 127.8 Ų | 127.8 | 83% | 0.832 | 69% | 0.686 | S | S | * | * | trans | -58.9 | 105.6 | 140.1 | -73.9 | -178.8 | 5.8 | 0 | 0 | 99.8 | T97 A101 | T97-Q99 PolarHBondContact O-N 3.07Å; Q99-A101 PolarHBondContact O-N 3.31Å | ||
| 100 | P | 51.4 | Low | 56.3 | Low | 107 Ų | 107 | 126.7 Ų | 126.7 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | trans | -50.8 | 111.8 | 154.6 | 25.6 | -32.2 | 0 | 0 | 0 | 101.8 | D98 A102 | D98-P100 VanDerWaalsContact C-CD 3.45Å; D98-P100 WeakPolarHBondContact O-CD 3.29Å; D98-P100 VanDerWaalsContact O-N 3.08Å; P100-A102 PolarHBondContact O-N 3.15Å | ||
| 101 | A | 48.6 | Very low | 55.9 | Low | 68 Ų | 68 | 126.8 Ų | 126.8 | 56% | 0.562 | 69% | 0.685 | S | S | * | * | trans | -38.3 | 119.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 103.3 | Q99 T103 | Q99-A101 PolarHBondContact O-N 3.31Å; A101-T103 HydrophobicContact CB-CG2 4.14Å; A101-T103 WeakPolarHBondContact O-CB 3.39Å; A101-T103 PolarHBondContact O-N 3.17Å; A101-T103 PolarHBondContact O-OG1 3.4Å | ||
| 102 | A | 45.4 | Very low | 55 | Low | 107 Ų | 107 | 127.6 Ų | 127.6 | 88% | 0.884 | 70% | 0.696 | S | S | * | * | trans | -61.6 | 70.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | P100 S104 | P100-A102 PolarHBondContact O-N 3.15Å; A102-S104 PolarHBondContact O-N 2.85Å | ||
| 103 | T | 47 | Very low | 54.6 | Low | 107 Ų | 107 | 126.3 Ų | 126.3 | 66% | 0.656 | 69% | 0.694 | S | S | * | * | trans | -71.7 | 93.8 | 167.7 | 37.4 | 0 | 0 | 0 | 0 | 100.1 | A101 N105 | A101-T103 HydrophobicContact CB-CG2 4.14Å; A101-T103 WeakPolarHBondContact O-CB 3.39Å; A101-T103 PolarHBondContact O-N 3.17Å; A101-T103 PolarHBondContact O-OG1 3.4Å; T103-N105 PolarHBondContact O-N 3.07Å | ||
| 104 | S | 45.4 | Very low | 54.8 | Low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | trans | 35.4 | 92.8 | 160.8 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | A102 A106 | A102-S104 PolarHBondContact O-N 2.85Å; S104-A106 PolarHBondContact O-N 2.8Å | ||
| 105 | N | 49.3 | Very low | 55.6 | Low | 171 Ų | 171 | 121.9 Ų | 121.9 | 91% | 0.914 | 69% | 0.685 | S | S | * | * | trans | -60.6 | 77.3 | 143.9 | -76.5 | -6.7 | 0 | 0 | 0 | 106.5 | T103 | T103-N105 PolarHBondContact O-N 3.07Š| ||
| 106 | A | 45.7 | Very low | 56 | Low | 60 Ų | 60 | 121.2 Ų | 121.2 | 50% | 0.496 | 68% | 0.676 | S | S | . | * | trans | -56.3 | 147.2 | 146 | 0 | 0 | 0 | 0 | 0 | 106.5 | S104 | S104-A106 PolarHBondContact O-N 2.8Š| ||
| 107 | E | 46.6 | Very low | 57.1 | Low | 178 Ų | 178 | 112 Ų | 112 | 83% | 0.832 | 64% | 0.643 | S | S | * | * | trans | 85.7 | 94.1 | 159.2 | -55 | 168.4 | 132.1 | 0 | 0 | 115.4 | ||||
| 108 | T | 48.8 | Very low | 58.1 | Low | 130 Ų | 130 | 117.1 Ų | 117.1 | 80% | 0.798 | 65% | 0.653 | S | S | * | * | S | Bend | -157 | 115.5 | 100.6 | 24.8 | 0 | 0 | 0 | 0 | 111.6 | |||
| 109 | N | 54.3 | Low | 59.3 | Low | 128 Ų | 128 | 113.3 Ų | 113.3 | 68% | 0.684 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 61.3 | 81.9 | 146.9 | -65.8 | -45.9 | 0 | 0 | 0 | 119.8 | ||
| 110 | N | 52.2 | Low | 60.9 | Low | 115 Ų | 115 | 110 Ų | 110 | 62% | 0.615 | 62% | 0.622 | S | S | * | * | -160.1 | 73 | 129.4 | -96.6 | -55.3 | 0 | 0 | 0 | 108.6 | N112 Q113 | N110-N112 PolarHBondContact O-N 3.14Å; N110-Q113 PolarHBondContact O-N 2.86Å | |||
| 111 | V | 57.4 | Low | 62.5 | Low | 132 Ų | 132 | 111.9 Ų | 111.9 | 80% | 0.8 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -6.1 | -169.1 | 176.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 112 | N | 57.8 | Low | 64.3 | Low | 156 Ų | 156 | 109.6 Ų | 109.6 | 83% | 0.834 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | 15.7 | -176.4 | -66 | -20.2 | 0 | 0 | 0 | 115.2 | N110 | N110-N112 PolarHBondContact O-N 3.14Š|
| 113 | Q | 61.7 | Low | 66.4 | Low | 99 Ų | 99 | 110.7 Ų | 110.7 | 46% | 0.463 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -103.5 | 109.5 | 170.2 | -65.8 | -172.4 | 6.3 | 0 | 0 | 109 | N110 C115 P143 | N110-Q113 PolarHBondContact O-N 2.86Å; Q113-C115 PolarHBondContact O-N 2.88Å; Q113-P143 HydrophobicContact CB-CG 4.48Å |
| 114 | E | 73.3 | Confident | 68.6 | Low | 165 Ų | 165 | 105.7 Ų | 105.7 | 77% | 0.771 | 55% | 0.55 | S | S | * | . | trans | -41.1 | 107.4 | 177.3 | -173.1 | 62.6 | -148.2 | 0 | 0 | 110.7 | Q116 | E114-Q116 PolarHBondContact O-N 3.08Å; E114-Q116 VanDerWaalsContact O-N 3.12Å | ||
| 115 | C | 82.7 | Confident | 70.9 | Confident | 36 Ų | 36 | 104.2 Ų | 104.2 | 24% | 0.243 | 53% | 0.529 | C | S | . | . | trans | -70.3 | 110.8 | -177.6 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | Q113 C117 H145 | Q113-C115 PolarHBondContact O-N 2.88Å; C115-C117 PolarHBondContact O-N 3.14Å; C115-C117 WeakPolarHBondContact SG-CB 3.37Å; C115-C117 VanDerWaalsContact SG-SG 3.63Å; C115-H145 PolarHBondContact SG-CE1 3Å; C115-H145 PolarHBondContact SG-ND1 2.82Å; C115-H145 VanDerWaalsContact SG-ND1 3.42Å | ||
| 116 | Q | 79.6 | Confident | 73 | Confident | 73 Ų | 73 | 96.1 Ų | 96.1 | 34% | 0.341 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -81.8 | 8.5 | -178 | -48.2 | -176.2 | -19.7 | 0 | 0 | 113.5 | E114 Y118 R119 C142 | E114-Q116 PolarHBondContact O-N 3.08Å; E114-Q116 VanDerWaalsContact O-N 3.12Å; Q116-Y118 VanDerWaalsContact C-N 3.34Å; Q116-R119 HydrophobicContact CB-CG 4.15Å; Q116-R119 VanDerWaalsContact O-CG 3.25Å; Q116-R119 WeakPolarHBondContact O-CG 3.48Å; Q116-R119 PolarHBondContact O-NE 3.34Å; Q116-R119 VanDerWaalsContact O-NE 3.1Å; Q116-R119 PolarHBondContact O-NH2 2.92Å; Q116-C142 PolarHBondContact N-SG 2.88Å |
| 117 | C | 84.3 | Confident | 75.3 | Confident | 11 Ų | 11 | 96.5 Ų | 96.5 | 7% | 0.074 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -66.3 | -35.3 | 178.1 | -70 | 0 | 0 | 0 | 0 | 112.5 | C115 R137 H145 M150 | C115-C117 PolarHBondContact O-N 3.14Å; C115-C117 WeakPolarHBondContact SG-CB 3.37Å; C115-C117 VanDerWaalsContact SG-SG 3.63Å; C117-R137 PolarHBondContact O-NH1 2.94Å; C117-H145 PolarHBondContact SG-ND1 3.49Å; C117-M150 HydrophobicContact CB-CE 3.6Å; C117-M150 WeakPolarHBondContact O-CE 3.07Å |
| 118 | Y | 80.1 | Confident | 77.5 | Confident | 205 Ų | 205 | 93.4 Ų | 93.4 | 80% | 0.804 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -92.9 | 15.2 | -177 | -62.2 | -74.6 | 0 | 0 | 0 | 114 | Q116 | Q116-Y118 VanDerWaalsContact C-N 3.34Š|
| 119 | R | 82.6 | Confident | 79.7 | Confident | 54 Ų | 54 | 89 Ų | 89 | 20% | 0.204 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -49 | 147.2 | 173 | -76.4 | -179.5 | -57.1 | -122.5 | -6.2 | 111.1 | Q116 R137 | Q116-R119 HydrophobicContact CB-CG 4.15Å; Q116-R119 VanDerWaalsContact O-CG 3.25Å; Q116-R119 WeakPolarHBondContact O-CG 3.48Å; Q116-R119 PolarHBondContact O-NE 3.34Å; Q116-R119 VanDerWaalsContact O-NE 3.1Å; Q116-R119 PolarHBondContact O-NH2 2.92Å; R119-R137 PolarHBondContact O-NE 3.27Å; R119-R137 PolarHBondContact O-NH1 2.88Å; R119-R137 PolarHBondContact O-NH2 3.23Å |
| 120 | P | 84.4 | Confident | 81.5 | Confident | 109 Ų | 109 | 89.4 Ų | 89.4 | 71% | 0.708 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 158 | 177.5 | 25.9 | -33.6 | 0 | 0 | 0 | 112.6 | R137 | P120-R137 PolarHBondContact O-NE 2.94Å; P120-R137 VanDerWaalsContact O-NE 3.17Å |
| 121 | R | 86 | Confident | 83.3 | Confident | 147 Ų | 147 | 87.4 Ų | 87.4 | 56% | 0.555 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 142.2 | 169.4 | -69.5 | 178.4 | -74 | 178 | -1 | 108.7 | R137 | R121-R137 HydrophobicContact CG-CG 4.44Š|
| 122 | S | 85.3 | Confident | 84.9 | Confident | 20 Ų | 20 | 85.9 Ų | 85.9 | 14% | 0.14 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 172.4 | -178.7 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | Q136 | S122-Q136 PolarHBondContact N-O 3.43Å; S122-Q136 PolarHBondContact O-N 2.99Å |
| 123 | K | 91 | Very high | 86.4 | Confident | 129 Ų | 129 | 78.9 Ų | 78.9 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.5 | 168.6 | -69.6 | 176.6 | -177.9 | 173.8 | 0 | 108.1 | N170 | K123-N170 PolarHBondContact O-N 3.05Å |
| 124 | V | 92.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.012 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.1 | 175.5 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | T132 S133 Q136 I138 L167 R168 | V124-T132 CarbonylContact O-C 3.56Å; V124-T132 WeakPolarHBondContact O-CA 3.29Å; V124-S133 PolarHBondContact N-O 2.85Å; V124-S133 PolarHBondContact O-N 2.96Å; V124-Q136 HydrophobicContact CG2-CB 4.41Å; V124-I138 HydrophobicContact CG1-CD1 4.48Å; V124-I138 HydrophobicContact CG1-CG1 4.16Å; V124-I138 HydrophobicContact CG2-CG1 4.24Å; V124-L167 HydrophobicContact CG1-CB 3.92Å; V124-L167 HydrophobicContact CG1-CD2 4.16Å; V124-L167 HydrophobicContact CG1-CG 4.43Å; V124-R168 CarbonylContact C-O 3.59Å; V124-R168 VanDerWaalsContact CA-O 3.29Å; V124-R168 WeakPolarHBondContact CA-O 3.17Å |
| 125 | Y | 93.3 | Very high | 88.3 | Confident | 68 Ų | 68 | 73.9 Ų | 73.9 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 142.4 | 175.1 | 67.8 | -82.3 | 0 | 0 | 0 | 110.9 | M127 L167 R168 N170 | Y125-M127 HydrophobicContact CD2-CG 4.41Å; Y125-M127 HydrophobicContact CE2-CG 4.05Å; Y125-L167 WeakPolarHBondContact O-CA 3.46Å; Y125-R168 HydrophobicContact CD1-CB 3.91Å; Y125-R168 WeakPolarHBondContact CD1-O 3.27Å; Y125-R168 HydrophobicContact CD2-CB 4.33Å; Y125-R168 HydrophobicContact CE1-CB 3.29Å; Y125-R168 HydrophobicContact CE1-CG 4.46Å; Y125-R168 HydrophobicContact CE2-CB 3.8Å; Y125-R168 HydrophobicContact CE2-CG 4.3Å; Y125-R168 HydrophobicContact CG-CB 4.39Å; Y125-R168 PolarHBondContact N-O 3.39Å; Y125-R168 PolarHBondContact O-N 3.32Å; Y125-R168 WeakPolarHBondContact OH-CD 3.39Å; Y125-N170 WeakPolarHBondContact CE1-OD1 3.07Å |
| 126 | C | 94.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.007 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.3 | 177 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | Q128 C129 D130 H131 C157 C160 L167 | C126-Q128 PolarHBondContact O-N 3.41Å; C126-Q128 PolarHBondContact SG-N 2.79Å; C126-C129 VanDerWaalsContact SG-SG 3.67Å; C126-D130 WeakPolarHBondContact O-CA 3.2Å; C126-D130 PolarHBondContact O-N 3.26Å; C126-H131 PolarHBondContact N-O 3.27Å; C126-C157 HydrophobicContact CB-CB 4.29Å; C126-C157 VanDerWaalsContact SG-SG 3.67Å; C126-C160 VanDerWaalsContact SG-SG 3.69Å; C126-L167 HydrophobicContact CB-CD2 3.82Å |
| 127 | M | 93.3 | Very high | 89 | Confident | 68 Ų | 68 | 73 Ų | 73 | 34% | 0.335 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -10.6 | 177 | -60.5 | -169.8 | -58.8 | 0 | 0 | 113.9 | Y125 W166 R168 | Y125-M127 HydrophobicContact CD2-CG 4.41Å; Y125-M127 HydrophobicContact CE2-CG 4.05Å; M127-W166 HydrophobicContact CB-CE3 4.32Å; M127-W166 HydrophobicContact CE-CE3 3.94Å; M127-W166 HydrophobicContact CE-CZ3 4.48Å; M127-W166 PolarHBondContact N-O 3.12Å; M127-R168 HydrophobicContact CG-CG 4.35Å; M127-R168 HydrophobicContact SD-CG 4.15Å; M127-R168 PolarHBondContact SD-NE 3.4Å |
| 128 | Q | 93.1 | Very high | 89.2 | Confident | 113 Ų | 113 | 73.5 Ų | 73.5 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -31.6 | -176.9 | -171.1 | 63.5 | 24.4 | 0 | 0 | 113 | C126 A162 W166 | C126-Q128 PolarHBondContact O-N 3.41Å; C126-Q128 PolarHBondContact SG-N 2.79Å; Q128-A162 HydrophobicContact CB-CB 3.97Å; Q128-A162 HydrophobicContact CG-CB 4.23Å; Q128-W166 HydrophobicContact CB-CB 4.33Å; Q128-W166 HydrophobicContact CB-CG 4.45Å |
| 129 | C | 94.8 | Very high | 89.6 | Confident | 39 Ų | 39 | 66.1 Ų | 66.1 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | 8.2 | -176.2 | 67.5 | 0 | 0 | 0 | 0 | 113.7 | C126 H131 C157 C160 | C126-C129 VanDerWaalsContact SG-SG 3.67Å; C129-H131 PolarHBondContact O-N 2.94Å; C129-H131 VanDerWaalsContact SG-CB 3.55Å; C129-C157 VanDerWaalsContact SG-SG 3.64Å; C129-C160 HydrophobicContact CB-CB 3.9Å; C129-C160 PolarHBondContact SG-SG 3.47Å |
| 130 | D | 91.4 | Very high | 89.7 | Confident | 136 Ų | 136 | 68.4 Ų | 68.4 | 73% | 0.727 | 34% | 0.343 | S | S | * | . | trans | 54.5 | 17.7 | -178.4 | -55.6 | -40.1 | 0 | 0 | 0 | 114.8 | C126 T132 | C126-D130 WeakPolarHBondContact O-CA 3.2Å; C126-D130 PolarHBondContact O-N 3.26Å; D130-T132 PolarHBondContact O-N 2.81Å | ||
| 131 | H | 91 | Very high | 89.7 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 33% | 0.333 | 34% | 0.342 | S | S | . | . | trans | -74.1 | 128.3 | 175.3 | -175.7 | 69.6 | 0 | 0 | 0 | 110.4 | C126 C129 S133 N159 | C126-H131 PolarHBondContact N-O 3.27Å; C129-H131 PolarHBondContact O-N 2.94Å; C129-H131 VanDerWaalsContact SG-CB 3.55Å; H131-S133 PolarHBondContact CD2-OG 3.17Å; H131-S133 VanDerWaalsContact CD2-OG 3.25Å; H131-S133 PolarHBondContact NE2-OG 3.22Å; H131-N159 HydrophobicContact CB-CB 3.96Å | ||
| 132 | T | 91 | Very high | 89.7 | Confident | 101 Ų | 101 | 61.6 Ų | 61.6 | 62% | 0.62 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.9 | 175 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | V124 D130 | V124-T132 CarbonylContact O-C 3.56Å; V124-T132 WeakPolarHBondContact O-CA 3.29Å; D130-T132 PolarHBondContact O-N 2.81Å |
| 133 | S | 89.3 | Confident | 89.7 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 6% | 0.056 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 116.3 | 174.3 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | V124 H131 Q136 | V124-S133 PolarHBondContact N-O 2.85Å; V124-S133 PolarHBondContact O-N 2.96Å; H131-S133 PolarHBondContact CD2-OG 3.17Å; H131-S133 VanDerWaalsContact CD2-OG 3.25Å; H131-S133 PolarHBondContact NE2-OG 3.22Å; S133-Q136 VanDerWaalsContact CB-CD 3.42Å; S133-Q136 VanDerWaalsContact CB-OE1 3.3Å |
| 134 | S | 88 | Confident | 89.3 | Confident | 75 Ų | 75 | 60 Ų | 60 | 52% | 0.524 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 153.8 | 172.2 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | Q136 | S134-Q136 VanDerWaalsContact C-N 3.26Å; S134-Q136 PolarHBondContact O-N 2.86Å |
| 135 | D | 86.9 | Confident | 88.9 | Confident | 84 Ų | 84 | 63.7 Ų | 63.7 | 45% | 0.449 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 62.5 | 23.6 | 175.7 | -60.9 | -53 | 0 | 0 | 0 | 116.1 | M152 | D135-M152 WeakPolarHBondContact O-CE 3.44Å |
| 136 | Q | 89.5 | Confident | 88.4 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 21% | 0.206 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 166.5 | -179.5 | -68.5 | 178.5 | 26.1 | 0 | 0 | 111.3 | S122 V124 S133 S134 L154 | S122-Q136 PolarHBondContact N-O 3.43Å; S122-Q136 PolarHBondContact O-N 2.99Å; V124-Q136 HydrophobicContact CG2-CB 4.41Å; S133-Q136 VanDerWaalsContact CB-CD 3.42Å; S133-Q136 VanDerWaalsContact CB-OE1 3.3Å; S134-Q136 VanDerWaalsContact C-N 3.26Å; S134-Q136 PolarHBondContact O-N 2.86Å; Q136-L154 HydrophobicContact CB-CD1 4.43Å; Q136-L154 HydrophobicContact CB-CG 4.37Å; Q136-L154 VanDerWaalsContact OE1-CD2 3.27Å |
| 137 | R | 87 | Confident | 87.9 | Confident | 46 Ų | 46 | 74.9 Ų | 74.9 | 17% | 0.174 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 154.1 | 178.9 | -64.3 | 177.1 | -172.8 | 168.2 | 4.2 | 109.2 | C117 R119 P120 R121 M152 D153 L154 | C117-R137 PolarHBondContact O-NH1 2.94Å; R119-R137 PolarHBondContact O-NE 3.27Å; R119-R137 PolarHBondContact O-NH1 2.88Å; R119-R137 PolarHBondContact O-NH2 3.23Å; P120-R137 PolarHBondContact O-NE 2.94Å; P120-R137 VanDerWaalsContact O-NE 3.17Å; R121-R137 HydrophobicContact CG-CG 4.44Å; R137-M152 PolarHBondContact N-O 3.01Å; R137-D153 WeakPolarHBondContact CB-OD1 3.04Å; R137-D153 CarbonylContact O-C 3.34Å; R137-D153 WeakPolarHBondContact O-CA 3.47Å; R137-L154 PolarHBondContact O-N 2.91Å |
| 138 | I | 89.3 | Confident | 87.4 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 12% | 0.118 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 131.3 | 170.2 | -60.2 | 175.6 | 0 | 0 | 0 | 108.1 | V124 R140 R164 L167 E169 | V124-I138 HydrophobicContact CG1-CD1 4.48Å; V124-I138 HydrophobicContact CG1-CG1 4.16Å; V124-I138 HydrophobicContact CG2-CG1 4.24Å; I138-R140 PolarHBondContact O-N 2.73Å; I138-R140 VanDerWaalsContact O-N 3.14Å; I138-R164 HydrophobicContact CG2-CB 4.42Å; I138-L167 HydrophobicContact CD1-CB 4.16Å; I138-L167 HydrophobicContact CG1-CB 4.38Å; I138-E169 HydrophobicContact CD1-CB 4.14Å; I138-E169 HydrophobicContact CD1-CG 4.38Å |
| 139 | Q | 88 | Confident | 86.9 | Confident | 49 Ų | 49 | 75.9 Ų | 75.9 | 23% | 0.229 | 41% | 0.411 | C | S | . | . | trans | -59.2 | 119.2 | 176.9 | -167.4 | -167.3 | 52.1 | 0 | 0 | 110.7 | L149 D153 L154 T155 | Q139-L149 VanDerWaalsContact NE2-CD2 3.29Å; Q139-D153 HydrophobicContact CB-CB 3.92Å; Q139-D153 HydrophobicContact CG-CB 4.18Å; Q139-L154 PolarHBondContact N-O 2.98Å; Q139-L154 VanDerWaalsContact N-O 3.09Å; Q139-T155 HydrophobicContact CB-CG2 4.35Å | ||
| 140 | R | 84.9 | Confident | 86.3 | Confident | 103 Ų | 103 | 77 Ų | 77 | 39% | 0.389 | 41% | 0.413 | S | S | . | . | trans | -126.3 | 133 | 169.9 | -57 | 171.8 | 176 | -159.8 | 3 | 109 | I138 C142 E169 | I138-R140 PolarHBondContact O-N 2.73Å; I138-R140 VanDerWaalsContact O-N 3.14Å; R140-C142 PolarHBondContact O-N 3.47Å; R140-E169 IonicContact CZ-OE1 3.61Å; R140-E169 IonicContact NH2-OE1 2.59Å; R140-E169 PolarHBondContact NH2-OE1 3.04Å; R140-E169 IonicContact NH2-OE2 3.7Å | ||
| 141 | P | 84.5 | Confident | 85.9 | Confident | 105 Ų | 105 | 78.7 Ų | 78.7 | 68% | 0.682 | 42% | 0.421 | S | S | * | . | trans | -62.7 | 128.9 | 176.8 | 28 | -33.8 | 0 | 0 | 0 | 109.3 | ||||
| 142 | C | 86.4 | Confident | 85.7 | Confident | 8 Ų | 8 | 79.1 Ų | 79.1 | 5% | 0.054 | 42% | 0.424 | C | S | . | . | trans | -86.5 | 131.2 | 172.6 | -169.1 | 0 | 0 | 0 | 0 | 109.1 | Q116 R140 S144 H145 | Q116-C142 PolarHBondContact N-SG 2.88Å; R140-C142 PolarHBondContact O-N 3.47Å; C142-S144 VanDerWaalsContact C-N 3.29Å; C142-S144 PolarHBondContact O-N 2.9Å; C142-S144 PolarHBondContact SG-OG 3.23Å; C142-H145 HydrophobicContact CB-CB 4.23Å; C142-H145 CarbonylContact O-C 3.57Å; C142-H145 PolarHBondContact O-N 3.25Å | ||
| 143 | P | 83.7 | Confident | 85.6 | Confident | 73 Ų | 73 | 75.6 Ų | 75.6 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -65.9 | -32.6 | 179.7 | 26.9 | -35.1 | 0 | 0 | 0 | 112.6 | Q113 | Q113-P143 HydrophobicContact CB-CG 4.48Š|
| 144 | S | 83.6 | Confident | 85.6 | Confident | 42 Ų | 42 | 76.5 Ų | 76.5 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -77.7 | -27.9 | 177 | 65.7 | 0 | 0 | 0 | 0 | 112.9 | C142 | C142-S144 VanDerWaalsContact C-N 3.29Å; C142-S144 PolarHBondContact O-N 2.9Å; C142-S144 PolarHBondContact SG-OG 3.23Å |
| 145 | H | 83.7 | Confident | 85.8 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 37% | 0.366 | 40% | 0.401 | S | S | . | . | trans | -132.6 | 67.7 | -173.3 | -54.3 | 124.1 | 0 | 0 | 0 | 111.9 | C115 C117 C142 K147 V148 | C115-H145 PolarHBondContact SG-CE1 3Å; C115-H145 PolarHBondContact SG-ND1 2.82Å; C115-H145 VanDerWaalsContact SG-ND1 3.42Å; C117-H145 PolarHBondContact SG-ND1 3.49Å; C142-H145 HydrophobicContact CB-CB 4.23Å; C142-H145 CarbonylContact O-C 3.57Å; C142-H145 PolarHBondContact O-N 3.25Å; H145-K147 PolarHBondContact O-N 2.95Å; H145-V148 HydrophobicContact CB-CB 3.79Å; H145-V148 HydrophobicContact CB-CG2 3.72Å; H145-V148 PolarHBondContact O-N 3.18Å | ||
| 146 | P | 82.5 | Confident | 86.1 | Confident | 102 Ų | 102 | 77.6 Ų | 77.6 | 66% | 0.662 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.8 | -175.8 | 26 | -35.2 | 0 | 0 | 0 | 113.7 | ||
| 147 | K | 84.7 | Confident | 86.3 | Confident | 203 Ų | 203 | 75.6 Ų | 75.6 | 88% | 0.883 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -1.1 | -179.1 | -60.9 | -178.6 | -176.9 | 175.6 | 0 | 113.6 | H145 | H145-K147 PolarHBondContact O-N 2.95Š|
| 148 | V | 82.5 | Confident | 86.5 | Confident | 74 Ų | 74 | 77.3 Ų | 77.3 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | trans | -96.2 | 115.3 | -179.2 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | H145 M150 | H145-V148 HydrophobicContact CB-CB 3.79Å; H145-V148 HydrophobicContact CB-CG2 3.72Å; H145-V148 PolarHBondContact O-N 3.18Å; V148-M150 HydrophobicContact CG1-SD 4.5Å | ||
| 149 | L | 81.7 | Confident | 86.6 | Confident | 128 Ų | 128 | 81.2 Ų | 81.2 | 67% | 0.67 | 43% | 0.433 | S | S | * | . | trans | -103.2 | 129.9 | 170.5 | -59.6 | -175.7 | 0 | 0 | 0 | 108.4 | Q139 | Q139-L149 VanDerWaalsContact NE2-CD2 3.29Š| ||
| 150 | M | 82.4 | Confident | 86.9 | Confident | 62 Ų | 62 | 81.7 Ų | 81.7 | 31% | 0.305 | 44% | 0.441 | S | S | . | . | trans | -84.9 | 139 | 175.8 | -65.2 | -63.5 | -160.8 | 0 | 0 | 110.1 | C117 V148 M152 D153 | C117-M150 HydrophobicContact CB-CE 3.6Å; C117-M150 WeakPolarHBondContact O-CE 3.07Å; V148-M150 HydrophobicContact CG1-SD 4.5Å; M150-M152 PolarHBondContact O-N 2.92Å; M150-M152 VanDerWaalsContact O-N 3.15Å; M150-D153 HydrophobicContact CB-CB 4.45Å; M150-D153 WeakPolarHBondContact O-CB 3.34Å; M150-D153 PolarHBondContact O-N 2.75Å; M150-D153 VanDerWaalsContact O-N 3.14Å | ||
| 151 | L | 82.6 | Confident | 87.4 | Confident | 172 Ų | 172 | 78.9 Ų | 78.9 | 90% | 0.901 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.8 | -178.9 | -176.7 | 63.8 | 0 | 0 | 0 | 113.6 | ||
| 152 | M | 87 | Confident | 87.8 | Confident | 81 Ų | 81 | 74.6 Ų | 74.6 | 40% | 0.399 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 2.9 | -176.6 | -55.8 | -57.4 | -66.1 | 0 | 0 | 113.7 | D135 R137 M150 | D135-M152 WeakPolarHBondContact O-CE 3.44Å; R137-M152 PolarHBondContact N-O 3.01Å; M150-M152 PolarHBondContact O-N 2.92Å; M150-M152 VanDerWaalsContact O-N 3.15Å |
| 153 | D | 89.3 | Confident | 88.1 | Confident | 27 Ų | 27 | 77.1 Ų | 77.1 | 14% | 0.144 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124.5 | 179.3 | -75.4 | -1 | 0 | 0 | 0 | 110.5 | R137 Q139 M150 | R137-D153 WeakPolarHBondContact CB-OD1 3.04Å; R137-D153 CarbonylContact O-C 3.34Å; R137-D153 WeakPolarHBondContact O-CA 3.47Å; Q139-D153 HydrophobicContact CB-CB 3.92Å; Q139-D153 HydrophobicContact CG-CB 4.18Å; M150-D153 HydrophobicContact CB-CB 4.45Å; M150-D153 WeakPolarHBondContact O-CB 3.34Å; M150-D153 PolarHBondContact O-N 2.75Å; M150-D153 VanDerWaalsContact O-N 3.14Å |
| 154 | L | 90.2 | Very high | 88.4 | Confident | 27 Ų | 27 | 80.2 Ų | 80.2 | 14% | 0.141 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.9 | 173.2 | -69.8 | -175.3 | 0 | 0 | 0 | 112.1 | Q136 R137 Q139 L167 | Q136-L154 HydrophobicContact CB-CD1 4.43Å; Q136-L154 HydrophobicContact CB-CG 4.37Å; Q136-L154 VanDerWaalsContact OE1-CD2 3.27Å; R137-L154 PolarHBondContact O-N 2.91Å; Q139-L154 PolarHBondContact N-O 2.98Å; Q139-L154 VanDerWaalsContact N-O 3.09Å; L154-L167 HydrophobicContact CB-CD1 3.96Å; L154-L167 HydrophobicContact CD1-CD1 4.07Å |
| 155 | T | 91.4 | Very high | 88.8 | Confident | 71 Ų | 71 | 85.5 Ų | 85.5 | 44% | 0.436 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -92.9 | -27.6 | 164.1 | 46.9 | 0 | 0 | 0 | 0 | 112.5 | Q139 R164 | Q139-T155 HydrophobicContact CB-CG2 4.35Å; T155-R164 WeakPolarHBondContact O-CB 3.22Å; T155-R164 PolarHBondContact O-N 3.38Å |
| 156 | E | 93.5 | Very high | 89.2 | Confident | 111 Ų | 111 | 86.5 Ų | 86.5 | 52% | 0.519 | 46% | 0.457 | S | S | . | . | B | Isolated β-bridge | trans | -146.3 | 158.1 | -174.8 | 62.8 | -173.9 | -169.7 | 0 | 0 | 110.8 | A162 | E156-A162 CarbonylContact C-O 3.53Å; E156-A162 WeakPolarHBondContact CA-O 3.14Å; E156-A162 WeakPolarHBondContact CB-O 3.45Å |
| 157 | C | 93.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 82.2 Ų | 82.2 | 1% | 0.014 | 43% | 0.428 | C | S | . | . | trans | -69 | 126.1 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | C126 C129 N159 G161 A162 L167 | C126-C157 HydrophobicContact CB-CB 4.29Å; C126-C157 VanDerWaalsContact SG-SG 3.67Å; C129-C157 VanDerWaalsContact SG-SG 3.64Å; C157-N159 PolarHBondContact O-N 2.8Å; C157-N159 VanDerWaalsContact O-N 3.17Å; C157-G161 VanDerWaalsContact O-CA 3.27Å; C157-G161 WeakPolarHBondContact O-CA 3.25Å; C157-G161 PolarHBondContact O-N 2.89Å; C157-A162 HydrophobicContact CB-CB 4.29Å; C157-A162 PolarHBondContact N-O 3.25Å; C157-L167 HydrophobicContact CB-CD2 3.94Å | ||
| 158 | P | 90.6 | Very high | 90 | Very high | 82 Ų | 82 | 78.9 Ų | 78.9 | 53% | 0.532 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20 | 179.1 | 26.6 | -35.4 | 0 | 0 | 0 | 113.4 | ||
| 159 | N | 92.8 | Very high | 90.4 | Very high | 105 Ų | 105 | 78.6 Ų | 78.6 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -51.6 | -178.7 | -170.7 | 34.9 | 0 | 0 | 0 | 112.4 | H131 C157 | H131-N159 HydrophobicContact CB-CB 3.96Å; C157-N159 PolarHBondContact O-N 2.8Å; C157-N159 VanDerWaalsContact O-N 3.17Å |
| 160 | C | 94.3 | Very high | 90.4 | Very high | 58 Ų | 58 | 76.3 Ų | 76.3 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -3.5 | -172.7 | 69.4 | 0 | 0 | 0 | 0 | 114.7 | C126 C129 A162 | C126-C160 VanDerWaalsContact SG-SG 3.69Å; C129-C160 HydrophobicContact CB-CB 3.9Å; C129-C160 PolarHBondContact SG-SG 3.47Å; C160-A162 PolarHBondContact O-N 3.16Å; C160-A162 WeakPolarHBondContact SG-CB 3.46Å |
| 161 | G | 93.5 | Very high | 89.6 | Confident | 45 Ų | 45 | 77 Ų | 77 | 46% | 0.464 | 41% | 0.408 | S | S | . | . | trans | 65 | 17.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | C157 | C157-G161 VanDerWaalsContact O-CA 3.27Å; C157-G161 WeakPolarHBondContact O-CA 3.25Å; C157-G161 PolarHBondContact O-N 2.89Å | ||
| 162 | A | 93.1 | Very high | 88.5 | Confident | 14 Ų | 14 | 74.5 Ų | 74.5 | 12% | 0.116 | 40% | 0.399 | C | S | . | . | trans | -66.1 | 141.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q128 E156 C157 C160 W166 | Q128-A162 HydrophobicContact CB-CB 3.97Å; Q128-A162 HydrophobicContact CG-CB 4.23Å; E156-A162 CarbonylContact C-O 3.53Å; E156-A162 WeakPolarHBondContact CA-O 3.14Å; E156-A162 WeakPolarHBondContact CB-O 3.45Å; C157-A162 HydrophobicContact CB-CB 4.29Å; C157-A162 PolarHBondContact N-O 3.25Å; C160-A162 PolarHBondContact O-N 3.16Å; C160-A162 WeakPolarHBondContact SG-CB 3.46Å; A162-W166 HydrophobicContact CB-CB 4Å; A162-W166 HydrophobicContact CB-CG 4.18Å | ||
| 163 | S | 93 | Very high | 86.3 | Confident | 61 Ų | 61 | 82.8 Ų | 82.8 | 43% | 0.427 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -62.9 | 161.8 | 179.6 | 65.3 | 0 | 0 | 0 | 0 | 112.2 | F165 W166 | S163-F165 PolarHBondContact O-N 3.22Å; S163-W166 PolarHBondContact O-N 3.3Å |
| 164 | R | 90.4 | Very high | 86.2 | Confident | 138 Ų | 138 | 85.6 Ų | 85.6 | 52% | 0.521 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -47.9 | -23.2 | 174.5 | 70.7 | 175.1 | -173 | 169.9 | 1.1 | 115.4 | I138 T155 W166 L167 | I138-R164 HydrophobicContact CG2-CB 4.42Å; T155-R164 WeakPolarHBondContact O-CB 3.22Å; T155-R164 PolarHBondContact O-N 3.38Å; R164-W166 PolarHBondContact O-N 3.46Å; R164-L167 PolarHBondContact O-N 3.09Å; R164-L167 VanDerWaalsContact O-N 3.14Å |
| 165 | F | 91.1 | Very high | 86 | Confident | 154 Ų | 154 | 88.6 Ų | 88.6 | 68% | 0.675 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -61.3 | -31 | 177.2 | -177.3 | -95.6 | 0 | 0 | 0 | 112.6 | S163 | S163-F165 PolarHBondContact O-N 3.22Š|
| 166 | W | 93.1 | Very high | 85.7 | Confident | 100 Ų | 100 | 89.6 Ų | 89.6 | 38% | 0.379 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -90.5 | -4 | 178.5 | -59.7 | 99.1 | 0 | 0 | 0 | 113.1 | M127 Q128 A162 S163 R164 | M127-W166 HydrophobicContact CB-CE3 4.32Å; M127-W166 HydrophobicContact CE-CE3 3.94Å; M127-W166 HydrophobicContact CE-CZ3 4.48Å; M127-W166 PolarHBondContact N-O 3.12Å; Q128-W166 HydrophobicContact CB-CB 4.33Å; Q128-W166 HydrophobicContact CB-CG 4.45Å; A162-W166 HydrophobicContact CB-CB 4Å; A162-W166 HydrophobicContact CB-CG 4.18Å; S163-W166 PolarHBondContact O-N 3.3Å; R164-W166 PolarHBondContact O-N 3.46Å |
| 167 | L | 92.6 | Very high | 85.2 | Confident | 11 Ų | 11 | 88.4 Ų | 88.4 | 6% | 0.058 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 135.5 | 177.4 | -62.5 | 178.2 | 0 | 0 | 0 | 109.8 | V124 Y125 C126 I138 L154 C157 R164 | V124-L167 HydrophobicContact CG1-CB 3.92Å; V124-L167 HydrophobicContact CG1-CD2 4.16Å; V124-L167 HydrophobicContact CG1-CG 4.43Å; Y125-L167 WeakPolarHBondContact O-CA 3.46Å; C126-L167 HydrophobicContact CB-CD2 3.82Å; I138-L167 HydrophobicContact CD1-CB 4.16Å; I138-L167 HydrophobicContact CG1-CB 4.38Å; L154-L167 HydrophobicContact CB-CD1 3.96Å; L154-L167 HydrophobicContact CD1-CD1 4.07Å; C157-L167 HydrophobicContact CB-CD2 3.94Å; R164-L167 PolarHBondContact O-N 3.09Å; R164-L167 VanDerWaalsContact O-N 3.14Å |
| 168 | R | 92.1 | Very high | 84.7 | Confident | 133 Ų | 133 | 93.8 Ų | 93.8 | 50% | 0.502 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.3 | 174.9 | -72.4 | -169.1 | 177.8 | -149.5 | 9.2 | 110.4 | V124 Y125 M127 | V124-R168 CarbonylContact C-O 3.59Å; V124-R168 VanDerWaalsContact CA-O 3.29Å; V124-R168 WeakPolarHBondContact CA-O 3.17Å; Y125-R168 HydrophobicContact CD1-CB 3.91Å; Y125-R168 WeakPolarHBondContact CD1-O 3.27Å; Y125-R168 HydrophobicContact CD2-CB 4.33Å; Y125-R168 HydrophobicContact CE1-CB 3.29Å; Y125-R168 HydrophobicContact CE1-CG 4.46Å; Y125-R168 HydrophobicContact CE2-CB 3.8Å; Y125-R168 HydrophobicContact CE2-CG 4.3Å; Y125-R168 HydrophobicContact CG-CB 4.39Å; Y125-R168 PolarHBondContact N-O 3.39Å; Y125-R168 PolarHBondContact O-N 3.32Å; Y125-R168 WeakPolarHBondContact OH-CD 3.39Å; M127-R168 HydrophobicContact CG-CG 4.35Å; M127-R168 HydrophobicContact SD-CG 4.15Å; M127-R168 PolarHBondContact SD-NE 3.4Å |
| 169 | E | 89.9 | Confident | 84.3 | Confident | 69 Ų | 69 | 94.5 Ų | 94.5 | 32% | 0.322 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 127.3 | 173.3 | 60.8 | -169.3 | -160.7 | 0 | 0 | 109.5 | I138 R140 A171 | I138-E169 HydrophobicContact CD1-CB 4.14Å; I138-E169 HydrophobicContact CD1-CG 4.38Å; R140-E169 IonicContact CZ-OE1 3.61Å; R140-E169 IonicContact NH2-OE1 2.59Å; R140-E169 PolarHBondContact NH2-OE1 3.04Å; R140-E169 IonicContact NH2-OE2 3.7Å; E169-A171 PolarHBondContact O-N 3.4Å |
| 170 | N | 82.4 | Confident | 83.7 | Confident | 80 Ų | 80 | 93.8 Ų | 93.8 | 43% | 0.428 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 95.7 | 160.8 | -71.9 | -23.7 | 0 | 0 | 0 | 105.9 | K123 Y125 V172 | K123-N170 PolarHBondContact O-N 3.05Å; Y125-N170 WeakPolarHBondContact CE1-OD1 3.07Å; N170-V172 PolarHBondContact O-N 3.23Å; N170-V172 VanDerWaalsContact O-N 3.07Å |
| 171 | A | 64.8 | Low | 82.9 | Confident | 77 Ų | 77 | 96.5 Ų | 96.5 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | trans | -61.4 | 110.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | E169 E173 | E169-A171 PolarHBondContact O-N 3.4Å; A171-E173 PolarHBondContact O-N 3.2Å | ||
| 172 | V | 59.6 | Low | 82 | Confident | 119 Ų | 119 | 100.8 Ų | 100.8 | 72% | 0.721 | 50% | 0.498 | S | S | * | . | trans | -76.6 | 110.1 | 162.1 | -179.1 | 0 | 0 | 0 | 0 | 103.7 | N170 | N170-V172 PolarHBondContact O-N 3.23Å; N170-V172 VanDerWaalsContact O-N 3.07Å | ||
| 173 | E | 41.7 | Very low | 81 | Confident | 254 Ų | 254 | 108.7 Ų | 108.7 | 100% | 1.187 | 53% | 0.532 | S | S | * | . | trans | -59.9 | 0 | 169.3 | -71.2 | -178.6 | 148.9 | 0 | 0 | 111.2 | A171 | A171-E173 PolarHBondContact O-N 3.2Š|
Retrieved 173 of 173 residues in 125.7 ms
(Link to these results)