| 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 | 39.9 | Very low | 36.6 | Very low | 248 Ų | 248 | 150.7 Ų | 150.7 | 100% | 1.222 | 84% | 0.844 | S | S | * | * | 0 | 125.8 | 0 | -75.6 | -173.5 | 167.6 | 0 | 0 | 108 | |||||
| 2 | L | 31.7 | Very low | 37 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 96% | 0.963 | 84% | 0.842 | S | S | * | * | trans | -60.8 | 161.3 | 179 | -61.2 | 102.5 | 0 | 0 | 0 | 111.2 | ||||
| 3 | G | 31.8 | Very low | 37 | Very low | 70 Ų | 70 | 149.6 Ų | 149.6 | 72% | 0.722 | 84% | 0.842 | S | S | * | * | cis | -169.6 | 148.1 | 8.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 4 | A | 34.9 | Very low | 36.6 | Very low | 108 Ų | 108 | 152.7 Ų | 152.7 | 89% | 0.893 | 85% | 0.845 | S | S | * | * | 83.6 | 113.8 | 84 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 5 | K | 34.8 | Very low | 36.5 | Very low | 202 Ų | 202 | 149.9 Ų | 149.9 | 88% | 0.878 | 84% | 0.84 | S | S | * | * | trans | -66.3 | -171.5 | 157.6 | -87.3 | 179.3 | 174 | -178.7 | 0 | 110.7 | ||||
| 6 | P | 54.8 | Low | 37 | Very low | 93 Ų | 93 | 147.9 Ų | 147.9 | 60% | 0.604 | 84% | 0.836 | S | S | * | * | cis | -128.9 | -169.6 | -39 | 31.8 | -11.9 | 0 | 0 | 0 | 110.1 | ||||
| 7 | H | 32.3 | Very low | 36.8 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 90% | 0.903 | 84% | 0.842 | S | S | * | * | trans | -166.5 | 153 | 143.2 | -96.6 | -65.1 | 0 | 0 | 0 | 112.7 | ||||
| 8 | W | 29.2 | Very low | 36.6 | Very low | 223 Ų | 223 | 153.7 Ų | 153.7 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | trans | -100.4 | 161.9 | -165.2 | -83.4 | 81 | 0 | 0 | 0 | 114.5 | ||||
| 9 | L | 35.7 | Very low | 36.8 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 75% | 0.754 | 84% | 0.838 | S | S | * | * | trans | -25.8 | 167.6 | 162.2 | -73.3 | 162.5 | 0 | 0 | 0 | 118.5 | ||||
| 10 | P | 42.4 | Very low | 37.2 | Very low | 124 Ų | 124 | 152.1 Ų | 152.1 | 81% | 0.805 | 84% | 0.835 | S | S | * | * | cis | -148.2 | -178.6 | 38.8 | 37.2 | -12.3 | 0 | 0 | 0 | 117.9 | ||||
| 11 | G | 35.3 | Very low | 37.4 | Very low | 67 Ų | 67 | 149.2 Ų | 149.2 | 69% | 0.691 | 83% | 0.832 | S | S | * | * | trans | -79.7 | -169 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 12 | P | 41.7 | Very low | 37.5 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | -140.6 | 148.3 | 128.3 | 32.9 | -16.8 | 0 | 0 | 0 | 115.3 | |||||
| 13 | L | 36.3 | Very low | 38 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -58 | 150.1 | 155.5 | -91.4 | 75.9 | 0 | 0 | 0 | 110.4 | ||||
| 14 | H | 31.3 | Very low | 38.6 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -162.3 | 141 | 133.2 | -94.5 | 91.4 | 0 | 0 | 0 | 110.3 | ||||
| 15 | S | 35.9 | Very low | 38.9 | Very low | 110 Ų | 110 | 147.4 Ų | 147.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -81 | 177.6 | -169.5 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 16 | P | 43.6 | Very low | 39.2 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -97.1 | 161.2 | -150.7 | 38.3 | -34.1 | 0 | 0 | 0 | 114.8 | ||||
| 17 | R | 34.3 | Very low | 38.4 | Very low | 247 Ų | 247 | 146.3 Ų | 146.3 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -136.8 | 123.5 | 156.9 | -74.6 | -171.7 | 171.8 | 173.8 | -2 | 109.6 | ||||
| 18 | L | 33.8 | Very low | 38.7 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -57.1 | 159.4 | 173.5 | -81.3 | 111.5 | 0 | 0 | 0 | 112.4 | ||||
| 19 | P | 39.5 | Very low | 39.2 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | -125.8 | 149.5 | 107.3 | 30.3 | -19.1 | 0 | 0 | 0 | 113.7 | |||||
| 20 | L | 44.8 | Very low | 39.1 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -66.4 | 119.4 | -179 | -162.9 | 79.9 | 0 | 0 | 0 | 110.5 | ||||
| 21 | A | 40.8 | Very low | 38.7 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -132.6 | 104.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | V23 | A21-V23 PolarHBondContact O-N 2.93Š| ||
| 22 | L | 41.8 | Very low | 38.9 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -75.1 | 110.6 | 176.7 | -146.3 | 89 | 0 | 0 | 0 | 108 | L24 | L22-L24 HydrophobicContact CD2-CD1 4.19Š| ||
| 23 | V | 42.8 | Very low | 39 | Very low | 118 Ų | 118 | 139 Ų | 139 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | trans | -118.9 | 100.1 | 165.7 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | A21 L25 | A21-V23 PolarHBondContact O-N 2.93Å; V23-L25 HydrophobicContact CG1-CD1 3.9Å; V23-L25 HydrophobicContact CG1-CG 4.39Å; V23-L25 PolarHBondContact O-N 2.72Å | ||
| 24 | L | 44.3 | Very low | 39.7 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -78.7 | 105.6 | 168.9 | -82 | 158.3 | 0 | 0 | 0 | 108.2 | L22 | L22-L24 HydrophobicContact CD2-CD1 4.19Š| ||
| 25 | L | 41.7 | Very low | 40.4 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -126.6 | 109.8 | 164.7 | -92 | 157 | 0 | 0 | 0 | 109.3 | V23 | V23-L25 HydrophobicContact CG1-CD1 3.9Å; V23-L25 HydrophobicContact CG1-CG 4.39Å; V23-L25 PolarHBondContact O-N 2.72Å | ||
| 26 | A | 41 | Very low | 41.1 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -5.6 | 121.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | G28 | A26-G28 VanDerWaalsContact C-N 3.34Å; A26-G28 PolarHBondContact O-N 3.04Å | ||
| 27 | L | 38.8 | Very low | 41.2 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 94% | 0.942 | 79% | 0.785 | S | S | * | * | trans | -57.7 | 97.1 | 151.2 | -79.9 | 143.4 | 0 | 0 | 0 | 108.4 | A29 | L27-A29 PolarHBondContact O-N 3.29Å; L27-A29 VanDerWaalsContact O-N 3.17Å | ||
| 28 | G | 37.4 | Very low | 41.6 | Very low | 67 Ų | 67 | 130.2 Ų | 130.2 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | -62.7 | 111.7 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107 | A26 G30 | A26-G28 VanDerWaalsContact C-N 3.34Å; A26-G28 PolarHBondContact O-N 3.04Å; G28-G30 PolarHBondContact O-N 3Å | ||
| 29 | A | 39.8 | Very low | 42.4 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | -60.1 | 92.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107 | L27 W31 | L27-A29 PolarHBondContact O-N 3.29Å; L27-A29 VanDerWaalsContact O-N 3.17Å; A29-W31 PolarHBondContact O-N 2.94Å | ||
| 30 | G | 33.7 | Very low | 42.7 | Very low | 74 Ų | 74 | 129.1 Ų | 129.1 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | -62.7 | 95.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | G28 A32 | G28-G30 PolarHBondContact O-N 3Å; G30-A32 PolarHBondContact O-N 3.16Å | ||
| 31 | W | 34.2 | Very low | 42.7 | Very low | 231 Ų | 231 | 129.2 Ų | 129.2 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | trans | -55.2 | 115.4 | 164.3 | -78.1 | 24.9 | 0 | 0 | 0 | 106 | A29 Q33 | A29-W31 PolarHBondContact O-N 2.94Å; W31-Q33 PolarHBondContact O-N 3.4Å | ||
| 32 | A | 38.4 | Very low | 43.2 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | trans | -53.8 | 111.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | G30 E34 | G30-A32 PolarHBondContact O-N 3.16Å; A32-E34 PolarHBondContact O-N 3.14Å | ||
| 33 | Q | 45.8 | Very low | 43.7 | Very low | 188 Ų | 188 | 128.6 Ų | 128.6 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -69 | 89.5 | 163 | -87.4 | -148.6 | -21.8 | 0 | 0 | 106.7 | W31 G35 | W31-Q33 PolarHBondContact O-N 3.4Å; Q33-G35 PolarHBondContact O-N 3.11Å | ||
| 34 | E | 49.3 | Very low | 44.1 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -69 | 71.2 | 157.1 | -154.7 | 79.5 | -164 | 0 | 0 | 106.7 | A32 | A32-E34 PolarHBondContact O-N 3.14Š| ||
| 35 | G | 46.7 | Very low | 44.3 | Very low | 55 Ų | 55 | 130.4 Ų | 130.4 | 57% | 0.567 | 77% | 0.772 | S | S | * | * | trans | -131.6 | 49.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q33 E37 | Q33-G35 PolarHBondContact O-N 3.11Å; G35-E37 VanDerWaalsContact C-N 3.34Å; G35-E37 PolarHBondContact O-N 2.92Å | ||
| 36 | S | 51.4 | Low | 44.8 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -86.7 | 89.7 | 156.4 | 54.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 37 | E | 45.9 | Very low | 45.4 | Very low | 173 Ų | 173 | 127.8 Ų | 127.8 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | trans | -51.4 | 133 | 157.4 | -69.2 | -174.4 | 119 | 0 | 0 | 106.8 | G35 V39 | G35-E37 VanDerWaalsContact C-N 3.34Å; G35-E37 PolarHBondContact O-N 2.92Å; E37-V39 PolarHBondContact O-N 3.43Å | ||
| 38 | P | 42.5 | Very low | 46.4 | Very low | 121 Ų | 121 | 123 Ų | 123 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -57.8 | 119 | 175.5 | 24.2 | -31.4 | 0 | 0 | 0 | 106.6 | L40 | P38-L40 VanDerWaalsContact C-N 3.26Å; P38-L40 PolarHBondContact O-N 2.9Å | ||
| 39 | V | 49.5 | Very low | 46.9 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 74% | 0.739 | 73% | 0.727 | S | S | * | * | trans | -60.4 | 102.6 | 166.2 | 176.4 | 0 | 0 | 0 | 0 | 104.8 | E37 L41 | E37-V39 PolarHBondContact O-N 3.43Å; V39-L41 HydrophobicContact CG1-CD2 3.96Å; V39-L41 HydrophobicContact CG1-CG 4.3Å; V39-L41 PolarHBondContact O-N 3.29Å | ||
| 40 | L | 45.3 | Very low | 47.6 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | trans | -63.9 | 94.1 | 166.4 | -172.2 | 70.9 | 0 | 0 | 0 | 104.6 | P38 E42 | P38-L40 VanDerWaalsContact C-N 3.26Å; P38-L40 PolarHBondContact O-N 2.9Å; L40-E42 HydrophobicContact CD2-CG 3.74Å; L40-E42 HydrophobicContact CG-CG 3.94Å; L40-E42 PolarHBondContact O-N 2.86Å | ||
| 41 | L | 46.1 | Very low | 48.2 | Very low | 152 Ų | 152 | 130 Ų | 130 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | trans | -66.1 | 88.4 | 161.5 | -65.8 | 174.2 | 0 | 0 | 0 | 104.3 | V39 G43 | V39-L41 HydrophobicContact CG1-CD2 3.96Å; V39-L41 HydrophobicContact CG1-CG 4.3Å; V39-L41 PolarHBondContact O-N 3.29Å; L41-G43 PolarHBondContact O-N 3.12Å | ||
| 42 | E | 50.5 | Low | 48.8 | Very low | 162 Ų | 162 | 122.5 Ų | 122.5 | 76% | 0.757 | 72% | 0.723 | S | S | * | * | trans | -60.7 | 84.9 | 159.5 | -66.7 | -158.8 | 158.8 | 0 | 0 | 105.4 | L40 E44 | L40-E42 HydrophobicContact CD2-CG 3.74Å; L40-E42 HydrophobicContact CG-CG 3.94Å; L40-E42 PolarHBondContact O-N 2.86Å; E42-E44 PolarHBondContact O-N 2.74Å | ||
| 43 | G | 52.7 | Low | 49.3 | Very low | 60 Ų | 60 | 129.8 Ų | 129.8 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | trans | -53.3 | 126.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | L41 C45 | L41-G43 PolarHBondContact O-N 3.12Å; G43-C45 PolarHBondContact O-N 3.21Å | ||
| 44 | E | 51.2 | Low | 49.2 | Very low | 200 Ų | 200 | 125.4 Ų | 125.4 | 94% | 0.935 | 73% | 0.729 | S | S | * | * | trans | -59.8 | 91.6 | 173.7 | -66.6 | -154.4 | 148 | 0 | 0 | 107.9 | E42 L46 | E42-E44 PolarHBondContact O-N 2.74Å; E44-L46 PolarHBondContact O-N 2.7Å; E44-L46 VanDerWaalsContact O-N 3.12Å | ||
| 45 | C | 49.4 | Very low | 49.1 | Very low | 111 Ų | 111 | 122 Ų | 122 | 75% | 0.75 | 73% | 0.732 | S | S | * | * | trans | -73.5 | 105.1 | 171.6 | -149.4 | 0 | 0 | 0 | 0 | 103.8 | G43 V47 | G43-C45 PolarHBondContact O-N 3.21Å; C45-V47 PolarHBondContact O-N 2.76Å | ||
| 46 | L | 50.3 | Low | 49 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 42% | 0.419 | 74% | 0.744 | S | S | . | * | trans | -63.8 | 95.3 | 168.8 | -109.5 | 156.1 | 0 | 0 | 0 | 106.6 | E44 V48 F200 I202 | E44-L46 PolarHBondContact O-N 2.7Å; E44-L46 VanDerWaalsContact O-N 3.12Å; L46-V48 PolarHBondContact O-N 2.58Å; L46-F200 HydrophobicContact CB-CE2 4.3Å; L46-F200 HydrophobicContact CB-CZ 4.14Å; L46-F200 HydrophobicContact CD1-CE2 4.13Å; L46-F200 HydrophobicContact CD1-CZ 3.71Å; L46-I202 HydrophobicContact CD1-CD1 4.14Å; L46-I202 HydrophobicContact CD2-CD1 4.17Å; L46-I202 HydrophobicContact CD2-CG1 4.42Å; L46-I202 HydrophobicContact CD2-CG2 3.91Å | ||
| 47 | V | 53.6 | Low | 48.8 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | trans | -70.8 | 100.3 | 174.9 | -177.6 | 0 | 0 | 0 | 0 | 106.9 | C45 C49 | C45-V47 PolarHBondContact O-N 2.76Å; V47-C49 PolarHBondContact O-N 2.89Å | ||
| 48 | V | 61 | Low | 48.3 | Very low | 79 Ų | 79 | 118 Ų | 118 | 48% | 0.479 | 75% | 0.745 | S | S | . | * | trans | -78 | 99.1 | 166.6 | -178.6 | 0 | 0 | 0 | 0 | 106.7 | L46 E50 | L46-V48 PolarHBondContact O-N 2.58Å; V48-E50 PolarHBondContact O-N 2.94Å | ||
| 49 | C | 47.4 | Very low | 49.1 | Very low | 103 Ų | 103 | 119 Ų | 119 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | trans | -73 | 109.9 | 171.4 | -67.1 | 0 | 0 | 0 | 0 | 108.9 | V47 P51 | V47-C49 PolarHBondContact O-N 2.89Å; C49-P51 WeakPolarHBondContact O-CD 3.35Å | ||
| 50 | E | 54.3 | Low | 48.8 | Very low | 139 Ų | 139 | 117 Ų | 117 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | trans | -69 | 122.1 | 165.5 | -72.4 | -166.8 | 144.8 | 0 | 0 | 108.9 | V48 G52 R71 | V48-E50 PolarHBondContact O-N 2.94Å; E50-G52 PolarHBondContact O-N 2.64Å; E50-R71 IonicContact OE1-NH1 3.93Å | ||
| 51 | P | 46.4 | Very low | 48.5 | Very low | 132 Ų | 132 | 114.3 Ų | 114.3 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | trans | -70.6 | 97.3 | 169.6 | 26.7 | -29.5 | 0 | 0 | 0 | 109.4 | C49 | C49-P51 WeakPolarHBondContact O-CD 3.35Š| ||
| 52 | G | 47.4 | Very low | 48.7 | Very low | 74 Ų | 74 | 112.6 Ų | 112.6 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | 40.1 | 98.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | E50 | E50-G52 PolarHBondContact O-N 2.64Š| ||
| 53 | R | 47.9 | Very low | 48.3 | Very low | 236 Ų | 236 | 108.9 Ų | 108.9 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | trans | -99.7 | 108.1 | 154.1 | -147 | 173.7 | -172 | 176.3 | 1.5 | 108.9 | A55 | R53-A55 PolarHBondContact O-N 3.06Š| ||
| 54 | A | 43.9 | Very low | 48.3 | Very low | 96 Ų | 96 | 115 Ų | 115 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | -52.9 | 123.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | A56 | A54-A56 PolarHBondContact O-N 3.49Š| ||
| 55 | A | 47.2 | Very low | 47.6 | Very low | 110 Ų | 110 | 108.3 Ų | 108.3 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -64.8 | 104.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R53 | R53-A55 PolarHBondContact O-N 3.06Š| ||
| 56 | A | 45.9 | Very low | 47.5 | Very low | 100 Ų | 100 | 112.1 Ų | 112.1 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -105.7 | 111.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | A54 | A54-A56 PolarHBondContact O-N 3.49Š| ||
| 57 | G | 46.7 | Very low | 47.4 | Very low | 85 Ų | 85 | 109.4 Ų | 109.4 | 88% | 0.876 | 76% | 0.763 | S | S | * | * | trans | -74.1 | 159.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 58 | G | 35.8 | Very low | 47.5 | Very low | 71 Ų | 71 | 106 Ų | 106 | 73% | 0.732 | 74% | 0.743 | S | S | * | * | trans | 172.9 | 125.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 59 | P | 58.2 | Low | 47.6 | Very low | 143 Ų | 143 | 108.9 Ų | 108.9 | 93% | 0.929 | 76% | 0.763 | S | S | * | * | trans | -88.1 | 124.2 | 179.8 | 32.7 | -27.7 | 0 | 0 | 0 | 110.3 | ||||
| 60 | G | 42.8 | Very low | 48.8 | Very low | 80 Ų | 80 | 105.8 Ų | 105.8 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | 166.1 | 118 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 61 | G | 39.3 | Very low | 50.4 | Low | 76 Ų | 76 | 105.1 Ų | 105.1 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | trans | 89.7 | 94.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A63 | G61-A63 VanDerWaalsContact C-N 3.25Å; G61-A63 PolarHBondContact O-N 2.91Å | ||
| 62 | A | 50.8 | Low | 52.8 | Low | 115 Ų | 115 | 99.4 Ų | 99.4 | 95% | 0.95 | 70% | 0.703 | S | S | * | * | trans | -66.3 | 89.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 63 | A | 42.8 | Very low | 55.1 | Low | 84 Ų | 84 | 97.2 Ų | 97.2 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | trans | -82.6 | 139 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | G61 G65 | G61-A63 VanDerWaalsContact C-N 3.25Å; G61-A63 PolarHBondContact O-N 2.91Å; A63-G65 PolarHBondContact O-N 3.04Å | ||
| 64 | L | 51.7 | Low | 57.5 | Low | 190 Ų | 190 | 86.2 Ų | 86.2 | 100% | 0.995 | 64% | 0.636 | S | S | * | * | trans | -59.8 | 83.6 | 162.8 | -71.4 | 160.3 | 0 | 0 | 0 | 106.9 | ||||
| 65 | G | 37.8 | Very low | 60.1 | Low | 59 Ų | 59 | 82.7 Ų | 82.7 | 61% | 0.608 | 61% | 0.607 | S | S | * | * | trans | -86.1 | 126.7 | -163.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A63 A67 | A63-G65 PolarHBondContact O-N 3.04Å; G65-A67 PolarHBondContact O-N 3.24Å | ||
| 66 | E | 47.4 | Very low | 62.5 | Low | 190 Ų | 190 | 77.5 Ų | 77.5 | 89% | 0.888 | 56% | 0.564 | S | S | * | * | trans | -39.1 | 126.7 | 158.3 | -162.4 | 156.3 | 158.8 | 0 | 0 | 109.7 | ||||
| 67 | A | 47.7 | Very low | 64.9 | Low | 24 Ų | 24 | 74.3 Ų | 74.3 | 20% | 0.198 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 130.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | G65 R71 | G65-A67 PolarHBondContact O-N 3.24Å; A67-R71 HydrophobicContact CB-CB 4.35Å |
| 68 | P | 55.1 | Low | 67 | Low | 40 Ų | 40 | 70.6 Ų | 70.6 | 26% | 0.26 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 149.7 | 179.8 | 21.5 | -30 | 0 | 0 | 0 | 110.2 | G70 R71 | P68-G70 PolarHBondContact O-N 2.94Å; P68-G70 VanDerWaalsContact O-N 3.14Å; P68-R71 HydrophobicContact CG-CG 4.27Å; P68-R71 VanDerWaalsContact CG-NE 3.34Å; P68-R71 PolarHBondContact O-N 2.95Å; P68-R71 VanDerWaalsContact O-N 3.11Å |
| 69 | P | 62.8 | Low | 69.5 | Low | 139 Ų | 139 | 68.8 Ų | 68.8 | 90% | 0.903 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 123.1 | -171.8 | 21.1 | -32.4 | 0 | 0 | 0 | 109.8 | ||
| 70 | G | 73.3 | Confident | 70.7 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 39% | 0.392 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | 2.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | P68 L201 | P68-G70 PolarHBondContact O-N 2.94Å; P68-G70 VanDerWaalsContact O-N 3.14Å; G70-L201 WeakPolarHBondContact O-CD2 3.42Å |
| 71 | R | 88 | Confident | 72.1 | Confident | 125 Ų | 125 | 66 Ų | 66 | 47% | 0.472 | 42% | 0.423 | S | S | . | . | trans | -98.7 | 111.1 | 168.4 | -64.1 | -154.1 | -65.3 | -121 | 11.6 | 111.1 | E50 A67 P68 | E50-R71 IonicContact OE1-NH1 3.93Å; A67-R71 HydrophobicContact CB-CB 4.35Å; P68-R71 HydrophobicContact CG-CG 4.27Å; P68-R71 VanDerWaalsContact CG-NE 3.34Å; P68-R71 PolarHBondContact O-N 2.95Å; P68-R71 VanDerWaalsContact O-N 3.11Å | ||
| 72 | V | 95.6 | Very high | 73.4 | Confident | 12 Ų | 12 | 68.9 Ų | 68.9 | 7% | 0.073 | 42% | 0.416 | C | S | . | . | trans | -132.7 | 121.8 | 178.3 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | E105 F116 P119 V120 Y124 F200 L201 | V72-E105 WeakPolarHBondContact CA-O 3.34Å; V72-F116 HydrophobicContact CG1-CE2 3.79Å; V72-F116 HydrophobicContact CG1-CZ 3.75Å; V72-P119 HydrophobicContact CB-CG 4.42Å; V72-P119 HydrophobicContact CG1-CG 3.85Å; V72-P119 HydrophobicContact CG2-CG 3.64Å; V72-V120 HydrophobicContact CG2-CG2 4.22Å; V72-Y124 HydrophobicContact CB-CE1 4.29Å; V72-Y124 HydrophobicContact CG1-CE1 4.03Å; V72-F200 CarbonylContact O-C 3.43Å; V72-F200 VanDerWaalsContact O-CA 3.26Å; V72-F200 WeakPolarHBondContact O-CA 3.43Å; V72-F200 WeakPolarHBondContact O-CB 3.38Å; V72-L201 HydrophobicContact CB-CB 3.82Å; V72-L201 HydrophobicContact CB-CD2 4.48Å; V72-L201 HydrophobicContact CG2-CB 4.33Å; V72-L201 HydrophobicContact CG2-CD2 4.08Å; V72-L201 PolarHBondContact O-N 2.84Å | ||
| 73 | A | 97.1 | Very high | 73.9 | Confident | 28 Ų | 28 | 67.7 Ų | 67.7 | 23% | 0.231 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 144 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V103 N104 E105 G199 F200 | A73-V103 HydrophobicContact CB-CG1 4.24Å; A73-N104 CarbonylContact O-C 3.57Å; A73-N104 WeakPolarHBondContact O-CA 3.45Å; A73-E105 HydrophobicContact CB-CB 4.32Å; A73-E105 PolarHBondContact N-O 2.81Å; A73-E105 VanDerWaalsContact N-O 3.08Å; A73-E105 PolarHBondContact O-N 2.76Å; A73-G199 CarbonylContact C-O 3.54Å; A73-G199 WeakPolarHBondContact CA-O 3.41Å; A73-F200 HydrophobicContact CB-CB 3.83Å |
| 74 | F | 98 | Very high | 74.6 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 2% | 0.022 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 152.6 | 169.9 | 76.9 | -79.3 | 0 | 0 | 0 | 111.1 | V103 F109 F116 F126 F197 S198 G199 | F74-V103 CarbonylContact C-O 3.57Å; F74-V103 WeakPolarHBondContact CA-O 3.35Å; F74-F109 HydrophobicContact CB-CB 3.64Å; F74-F109 HydrophobicContact CB-CG 4.21Å; F74-F109 HydrophobicContact CD2-CB 3.98Å; F74-F109 HydrophobicContact CD2-CD1 4.47Å; F74-F109 AromaticContact CD2-CD2 3.28Å; F74-F109 HydrophobicContact CD2-CD2 3.28Å; F74-F109 AromaticContact CD2-CE2 3.82Å; F74-F109 HydrophobicContact CD2-CE2 3.82Å; F74-F109 AromaticContact CD2-CG 3.66Å; F74-F109 HydrophobicContact CD2-CG 3.66Å; F74-F109 AromaticContact CE2-CD2 3.5Å; F74-F109 HydrophobicContact CE2-CD2 3.5Å; F74-F109 AromaticContact CE2-CE2 3.71Å; F74-F109 HydrophobicContact CE2-CE2 3.71Å; F74-F109 HydrophobicContact CE2-CG 4.34Å; F74-F109 HydrophobicContact CG-CB 3.82Å; F74-F109 AromaticContact CG-CD2 3.92Å; F74-F109 HydrophobicContact CG-CD2 3.92Å; F74-F109 HydrophobicContact CG-CG 4.05Å; F74-F109 HydrophobicContact CZ-CD2 4.29Å; F74-F116 HydrophobicContact CD1-CB 4.34Å; F74-F116 AromaticContact CD1-CD2 3.37Å; F74-F116 HydrophobicContact CD1-CD2 3.37Å; F74-F116 AromaticContact CD1-CE2 3.85Å; F74-F116 HydrophobicContact CD1-CE2 3.85Å; F74-F116 AromaticContact CD1-CG 3.99Å; F74-F116 HydrophobicContact CD1-CG 3.99Å; F74-F116 HydrophobicContact CE1-CB 3.87Å; F74-F116 HydrophobicContact CE1-CD1 4.46Å; F74-F116 AromaticContact CE1-CD2 3.6Å; F74-F116 HydrophobicContact CE1-CD2 3.6Å; F74-F116 HydrophobicContact CE1-CE2 4.26Å; F74-F116 AromaticContact CE1-CG 3.72Å; F74-F116 HydrophobicContact CE1-CG 3.72Å; F74-F116 HydrophobicContact CG-CD2 4.15Å; F74-F116 HydrophobicContact CZ-CB 4.05Å; F74-F116 HydrophobicContact CZ-CG 4.4Å; F74-F126 AromaticContact CE1-CD1 3.99Å; F74-F126 HydrophobicContact CE1-CD1 3.99Å; F74-F126 AromaticContact CE1-CE1 3.7Å; F74-F126 HydrophobicContact CE1-CE1 3.7Å; F74-F126 HydrophobicContact CZ-CD1 4Å; F74-F126 HydrophobicContact CZ-CE1 4.05Å; F74-F197 AromaticContact CE2-CD1 3.71Å; F74-F197 HydrophobicContact CE2-CD1 3.71Å; F74-F197 HydrophobicContact CE2-CD2 4.23Å; F74-F197 AromaticContact CE2-CE1 3.75Å; F74-F197 HydrophobicContact CE2-CE1 3.75Å; F74-F197 HydrophobicContact CE2-CE2 4.27Å; F74-F197 AromaticContact CE2-CG 3.95Å; F74-F197 HydrophobicContact CE2-CG 3.95Å; F74-F197 HydrophobicContact CE2-CZ 4.03Å; F74-F197 HydrophobicContact CZ-CD1 4.16Å; F74-F197 HydrophobicContact CZ-CD2 4.21Å; F74-F197 AromaticContact CZ-CE1 3.78Å; F74-F197 HydrophobicContact CZ-CE1 3.78Å; F74-F197 AromaticContact CZ-CE2 3.83Å; F74-F197 HydrophobicContact CZ-CE2 3.83Å; F74-F197 HydrophobicContact CZ-CG 4.36Å; F74-F197 AromaticContact CZ-CZ 3.6Å; F74-F197 HydrophobicContact CZ-CZ 3.6Å; F74-S198 CarbonylContact O-C 3.5Å; F74-S198 VanDerWaalsContact O-CA 3.23Å; F74-S198 WeakPolarHBondContact O-CA 3.36Å; F74-S198 WeakPolarHBondContact O-CB 3.38Å; F74-G199 WeakPolarHBondContact CD1-O 3.18Å; F74-G199 VanDerWaalsContact CE1-N 3.29Å; F74-G199 PolarHBondContact N-O 3.21Å; F74-G199 PolarHBondContact O-N 2.94Å |
| 75 | A | 98.1 | Very high | 74.3 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 126.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | L102 V103 | A75-L102 HydrophobicContact CB-CB 4.3Å; A75-L102 PolarHBondContact O-N 2.62Å; A75-V103 HydrophobicContact CB-CB 4.06Å; A75-V103 HydrophobicContact CB-CG2 4.15Å; A75-V103 PolarHBondContact N-O 2.75Å; A75-V103 PolarHBondContact O-N 3.4Å |
| 76 | A | 96.9 | Very high | 75 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F98 Q100 V101 F109 S196 F197 | A76-F98 HydrophobicContact CB-CB 3.66Å; A76-F98 HydrophobicContact CB-CG 4Å; A76-Q100 CarbonylContact C-O 3.46Å; A76-Q100 VanDerWaalsContact CA-O 3.27Å; A76-Q100 WeakPolarHBondContact CA-O 3.48Å; A76-V101 HydrophobicContact CB-CG2 4.41Å; A76-F109 HydrophobicContact CB-CD1 4.33Å; A76-F109 HydrophobicContact CB-CE1 3.58Å; A76-F109 HydrophobicContact CB-CZ 3.69Å; A76-S196 CarbonylContact O-C 3.41Å; A76-S196 WeakPolarHBondContact O-CA 3.38Å; A76-F197 PolarHBondContact N-O 2.67Å; A76-F197 PolarHBondContact O-N 2.86Å |
| 77 | V | 96.4 | Very high | 75.1 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 20% | 0.2 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 154.1 | -177.2 | -61 | 0 | 0 | 0 | 0 | 111.4 | D99 Q100 L102 S195 | V77-D99 PolarHBondContact O-N 3.09Å; V77-Q100 HydrophobicContact CG2-CB 3.86Å; V77-Q100 HydrophobicContact CG2-CG 4.18Å; V77-Q100 PolarHBondContact N-O 3.05Å; V77-Q100 PolarHBondContact O-N 2.77Å; V77-Q100 VanDerWaalsContact O-N 3.09Å; V77-L102 HydrophobicContact CG1-CD1 3.71Å; V77-L102 HydrophobicContact CG1-CG 4.42Å; V77-L102 HydrophobicContact CG2-CD1 4.09Å; V77-L102 HydrophobicContact CG2-CD2 4.22Å; V77-L102 HydrophobicContact CG2-CG 4.12Å; V77-S195 CarbonylContact C-O 3.43Å; V77-S195 VanDerWaalsContact CA-O 3.28Å; V77-S195 WeakPolarHBondContact CA-O 3.24Å |
| 78 | R | 92.2 | Very high | 75.4 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | trans | -95.2 | 112.3 | 170.9 | -176.3 | 72.6 | -179.4 | 173.9 | -12.1 | 109 | H80 H82 Y97 F98 D99 W192 Y194 S195 | R78-H80 PolarHBondContact NE-O 3.19Å; R78-H82 PolarHBondContact NH2-O 2.78Å; R78-Y97 VanDerWaalsContact NH1-CZ 3.29Å; R78-Y97 PolarHBondContact NH1-OH 3.43Å; R78-Y97 PolarHBondContact NH2-OH 3.01Å; R78-F98 HydrophobicContact CB-CD1 4.49Å; R78-D99 WeakPolarHBondContact CA-OD1 3.18Å; R78-D99 VanDerWaalsContact CD-OD1 3.27Å; R78-D99 WeakPolarHBondContact CD-OD1 3.47Å; R78-D99 IonicContact NE-OD1 3.4Å; R78-D99 IonicContact NH1-OD1 3.87Å; R78-W192 WeakPolarHBondContact CB-O 3.34Å; R78-W192 VanDerWaalsContact CD-NE1 3.33Å; R78-W192 HydrophobicContact CG-CD2 4.43Å; R78-W192 HydrophobicContact CG-CG 4.05Å; R78-W192 VanDerWaalsContact CG-O 3.31Å; R78-W192 WeakPolarHBondContact CG-O 3.29Å; R78-Y194 PolarHBondContact O-N 2.81Å; R78-S195 PolarHBondContact N-O 2.97Å | ||
| 79 | S | 88.4 | Confident | 75 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | trans | -99.7 | -11.8 | -174.2 | -60.6 | 0 | 0 | 0 | 0 | 113.2 | D99 Q100 K193 | S79-D99 WeakPolarHBondContact CB-OD2 3.36Å; S79-D99 PolarHBondContact N-OD1 2.72Å; S79-Q100 PolarHBondContact OG-OE1 2.89Å; S79-K193 WeakPolarHBondContact O-CE 3.43Å | ||
| 80 | H | 81.7 | Confident | 74.4 | Confident | 96 Ų | 96 | 55.1 Ų | 55.1 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | trans | -119.1 | 145.3 | -175.4 | -64.5 | 88.4 | 0 | 0 | 0 | 112.5 | R78 H82 D99 | R78-H80 PolarHBondContact NE-O 3.19Å; H80-H82 HydrophobicContact CB-CB 4.39Å; H80-H82 PolarHBondContact O-N 3.08Å; H80-D99 IonicContact CE1-OD2 3.95Å; H80-D99 PolarHBondContact CE1-OD2 3.22Å; H80-D99 IonicContact CG-OD2 3.56Å; H80-D99 IonicContact ND1-OD1 2.94Å; H80-D99 IonicContact ND1-OD2 4Å; H80-D99 PolarHBondContact ND1-OD2 2.9Å | ||
| 81 | H | 72.9 | Confident | 73.3 | Confident | 69 Ų | 69 | 55.1 Ų | 55.1 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | trans | -79.7 | 0.5 | 169.2 | -80.8 | -75.9 | 0 | 0 | 0 | 113.1 | E83 K193 | H81-E83 PolarHBondContact O-N 2.87Å; H81-E83 VanDerWaalsContact O-N 3.13Å; H81-K193 WeakPolarHBondContact CD2-CD 3.4Å; H81-K193 VanDerWaalsContact NE2-CD 3.31Å; H81-K193 WeakPolarHBondContact NE2-CD 3.44Å | ||
| 82 | H | 66.9 | Low | 71.3 | Confident | 135 Ų | 135 | 52.6 Ų | 52.6 | 63% | 0.625 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 126 | -175.8 | -80 | -117.6 | 0 | 0 | 0 | 110.1 | R78 H80 | R78-H82 PolarHBondContact NH2-O 2.78Å; H80-H82 HydrophobicContact CB-CB 4.39Å; H80-H82 PolarHBondContact O-N 3.08Å |
| 83 | E | 61.2 | Low | 69.4 | Low | 91 Ų | 91 | 56.6 Ų | 56.6 | 43% | 0.425 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 141 | 166 | -65.8 | -58.3 | 144.9 | 0 | 0 | 108 | H81 A85 L189 G190 G191 | H81-E83 PolarHBondContact O-N 2.87Å; H81-E83 VanDerWaalsContact O-N 3.13Å; E83-A85 PolarHBondContact O-N 3.38Å; E83-A85 VanDerWaalsContact O-N 3.09Å; E83-L189 WeakPolarHBondContact OE2-CA 3.3Å; E83-G190 WeakPolarHBondContact OE1-CA 3.37Å; E83-G190 PolarHBondContact OE1-N 2.82Å; E83-G190 PolarHBondContact OE2-N 2.92Å; E83-G191 PolarHBondContact OE1-N 2.55Å |
| 84 | P | 57.7 | Low | 68 | Low | 15 Ų | 15 | 56.5 Ų | 56.5 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 122.8 | 175.9 | 17.1 | -18.5 | 0 | 0 | 0 | 108.5 | G86 Y97 W192 | P84-G86 VanDerWaalsContact C-N 3.25Å; P84-G86 PolarHBondContact O-N 2.8Å; P84-Y97 HydrophobicContact CB-CE1 4.34Å; P84-W192 HydrophobicContact CB-CH2 3.79Å; P84-W192 HydrophobicContact CB-CZ3 4.08Å; P84-W192 HydrophobicContact CG-CH2 4.05Å; P84-W192 HydrophobicContact CG-CZ3 3.79Å |
| 85 | A | 44.7 | Very low | 67.1 | Low | 105 Ų | 105 | 57.3 Ų | 57.3 | 87% | 0.868 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -67.8 | 91.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | E83 | E83-A85 PolarHBondContact O-N 3.38Å; E83-A85 VanDerWaalsContact O-N 3.09Å |
| 86 | G | 53.8 | Low | 66.7 | Low | 52 Ų | 52 | 56.3 Ų | 56.3 | 54% | 0.536 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 108.5 | -162.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | P84 T88 G89 | P84-G86 VanDerWaalsContact C-N 3.25Å; P84-G86 PolarHBondContact O-N 2.8Å; G86-T88 PolarHBondContact O-N 2.87Å; G86-G89 PolarHBondContact O-N 2.91Å; G86-G89 VanDerWaalsContact O-N 3.1Å |
| 87 | E | 48 | Very low | 66.2 | Low | 133 Ų | 133 | 59.2 Ų | 59.2 | 62% | 0.621 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -48.5 | -25.5 | -163.1 | -63.9 | 179.4 | 160.1 | 0 | 0 | 116.5 | G89 N90 T92 | E87-G89 PolarHBondContact O-N 3.45Å; E87-N90 PolarHBondContact O-N 2.81Å; E87-T92 CarbonylContact C-O 3.55Å; E87-T92 WeakPolarHBondContact CB-O 3.34Å; E87-T92 PolarHBondContact O-N 2.75Å; E87-T92 VanDerWaalsContact O-N 3.15Å; E87-T92 VanDerWaalsContact O-O 3.09Å; E87-T92 PolarHBondContact O-OG1 3Å |
| 88 | T | 53.9 | Low | 66 | Low | 23 Ų | 23 | 57.7 Ų | 57.7 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -65.8 | -21.5 | 179 | -30.4 | 0 | 0 | 0 | 0 | 113.2 | G86 Y97 | G86-T88 PolarHBondContact O-N 2.87Å; T88-Y97 HydrophobicContact CG2-CD1 4.43Å |
| 89 | G | 48 | Very low | 65.9 | Low | 6 Ų | 6 | 58.4 Ų | 58.4 | 6% | 0.062 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -78.9 | -21.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G86 E87 N187 L189 | G86-G89 PolarHBondContact O-N 2.91Å; G86-G89 VanDerWaalsContact O-N 3.1Å; E87-G89 PolarHBondContact O-N 3.45Å; G89-N187 VanDerWaalsContact O-CB 3.27Å; G89-N187 WeakPolarHBondContact O-CB 3.47Å; G89-L189 WeakPolarHBondContact O-CD2 3.42Å |
| 90 | N | 48.4 | Very low | 66.1 | Low | 127 Ų | 127 | 61 Ų | 61 | 68% | 0.679 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -112.7 | 23.1 | -170.8 | -129.2 | 7.6 | 0 | 0 | 0 | 111.9 | E87 T92 | E87-N90 PolarHBondContact O-N 2.81Å; N90-T92 PolarHBondContact O-N 3.11Å; N90-T92 PolarHBondContact O-OG1 2.93Å |
| 91 | G | 50.3 | Low | 66.8 | Low | 38 Ų | 38 | 58.6 Ų | 58.6 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 17.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 92 | T | 47.3 | Very low | 67.9 | Low | 72 Ų | 72 | 60 Ų | 60 | 44% | 0.442 | 36% | 0.362 | S | S | . | . | trans | -101 | 105.4 | -174.1 | -12.7 | 0 | 0 | 0 | 0 | 109.9 | E87 N90 G94 | E87-T92 CarbonylContact C-O 3.55Å; E87-T92 WeakPolarHBondContact CB-O 3.34Å; E87-T92 PolarHBondContact O-N 2.75Å; E87-T92 VanDerWaalsContact O-N 3.15Å; E87-T92 VanDerWaalsContact O-O 3.09Å; E87-T92 PolarHBondContact O-OG1 3Å; N90-T92 PolarHBondContact O-N 3.11Å; N90-T92 PolarHBondContact O-OG1 2.93Å; T92-G94 VanDerWaalsContact C-N 3.27Å; T92-G94 PolarHBondContact O-N 3.1Å | ||
| 93 | S | 56.1 | Low | 69.3 | Low | 97 Ų | 97 | 56.3 Ų | 56.3 | 68% | 0.678 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 66.2 | -31.9 | 153.2 | -161.5 | 0 | 0 | 0 | 0 | 120.5 | ||
| 94 | G | 66.6 | Low | 71 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 26% | 0.258 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -77 | 147.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | T92 | T92-G94 VanDerWaalsContact C-N 3.27Å; T92-G94 PolarHBondContact O-N 3.1Å |
| 95 | A | 80.4 | Confident | 72.8 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -62.7 | 147.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y97 S113 L181 | A95-Y97 PolarHBondContact O-N 3.27Å; A95-S113 WeakPolarHBondContact CB-O 3.42Å; A95-L181 CarbonylContact C-O 3.59Å; A95-L181 VanDerWaalsContact CA-O 3.27Å; A95-L181 WeakPolarHBondContact CA-O 3.33Å |
| 96 | I | 88.9 | Confident | 75 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 121.5 | 171 | -59.1 | 175.5 | 0 | 0 | 0 | 107.1 | F98 V130 V141 L181 L183 L188 | I96-F98 HydrophobicContact CG2-CE2 4.29Å; I96-F98 HydrophobicContact CG2-CZ 4.18Å; I96-F98 WeakPolarHBondContact O-CE2 3.44Å; I96-V130 HydrophobicContact CD1-CG1 4.29Å; I96-V130 HydrophobicContact CD1-CG2 4.08Å; I96-V141 HydrophobicContact CD1-CB 4.4Å; I96-V141 HydrophobicContact CD1-CG1 3.69Å; I96-V141 HydrophobicContact CD1-CG2 3.83Å; I96-L181 HydrophobicContact CB-CB 4.16Å; I96-L181 HydrophobicContact CD1-CB 4.23Å; I96-L181 HydrophobicContact CG1-CB 4.44Å; I96-L181 PolarHBondContact N-O 3.15Å; I96-L183 HydrophobicContact CD1-CB 4.46Å; I96-L183 HydrophobicContact CG1-CB 4.45Å; I96-L188 HydrophobicContact CD1-CD1 4.17Å; I96-L188 HydrophobicContact CG1-CD1 4.3Å; I96-L188 HydrophobicContact CG2-CD1 4.41Å |
| 97 | Y | 87.1 | Confident | 76.9 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 24% | 0.243 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -102 | 156.2 | -176 | 74.7 | -84.6 | 0 | 0 | 0 | 112.4 | R78 P84 T88 A95 W192 | R78-Y97 VanDerWaalsContact NH1-CZ 3.29Å; R78-Y97 PolarHBondContact NH1-OH 3.43Å; R78-Y97 PolarHBondContact NH2-OH 3.01Å; P84-Y97 HydrophobicContact CB-CE1 4.34Å; T88-Y97 HydrophobicContact CG2-CD1 4.43Å; A95-Y97 PolarHBondContact O-N 3.27Å; Y97-W192 HydrophobicContact CD1-CH2 4.18Å; Y97-W192 AromaticContact CD1-CZ2 3.72Å; Y97-W192 HydrophobicContact CD1-CZ2 3.72Å; Y97-W192 AromaticContact CE1-CH2 3.45Å; Y97-W192 HydrophobicContact CE1-CH2 3.45Å; Y97-W192 VanDerWaalsContact CE1-CH2 3.45Å; Y97-W192 AromaticContact CE1-CZ2 3.35Å; Y97-W192 HydrophobicContact CE1-CZ2 3.35Å; Y97-W192 HydrophobicContact CE2-CZ2 4.47Å; Y97-W192 HydrophobicContact CG-CZ2 4.39Å; Y97-W192 AromaticContact CZ-CH2 3.9Å; Y97-W192 AromaticContact CZ-CZ2 3.74Å; Y97-W192 PolarHBondContact O-NE1 3.22Å |
| 98 | F | 91 | Very high | 79 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | trans | -127.4 | 122.7 | -175.5 | -62.8 | -89.3 | 0 | 0 | 0 | 108.8 | A76 R78 I96 F109 L181 F197 | A76-F98 HydrophobicContact CB-CB 3.66Å; A76-F98 HydrophobicContact CB-CG 4Å; R78-F98 HydrophobicContact CB-CD1 4.49Å; I96-F98 HydrophobicContact CG2-CE2 4.29Å; I96-F98 HydrophobicContact CG2-CZ 4.18Å; I96-F98 WeakPolarHBondContact O-CE2 3.44Å; F98-F109 HydrophobicContact CD2-CZ 4.38Å; F98-L181 HydrophobicContact CE2-CD1 4.14Å; F98-L181 HydrophobicContact CZ-CD1 3.86Å; F98-F197 HydrophobicContact CD2-CB 4.22Å; F98-F197 HydrophobicContact CD2-CD1 4.49Å; F98-F197 HydrophobicContact CE1-CB 3.9Å; F98-F197 HydrophobicContact CE2-CB 3.55Å; F98-F197 AromaticContact CE2-CD1 3.98Å; F98-F197 HydrophobicContact CE2-CD1 3.98Å; F98-F197 HydrophobicContact CE2-CG 4.19Å; F98-F197 HydrophobicContact CZ-CB 3.38Å; F98-F197 HydrophobicContact CZ-CG 4.37Å | ||
| 99 | D | 89.6 | Confident | 81.1 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -82.9 | -17 | -173.7 | 62.7 | -76.8 | 0 | 0 | 0 | 113.1 | V77 R78 S79 H80 R111 | V77-D99 PolarHBondContact O-N 3.09Å; R78-D99 WeakPolarHBondContact CA-OD1 3.18Å; R78-D99 VanDerWaalsContact CD-OD1 3.27Å; R78-D99 WeakPolarHBondContact CD-OD1 3.47Å; R78-D99 IonicContact NE-OD1 3.4Å; R78-D99 IonicContact NH1-OD1 3.87Å; S79-D99 WeakPolarHBondContact CB-OD2 3.36Å; S79-D99 PolarHBondContact N-OD1 2.72Å; H80-D99 IonicContact CE1-OD2 3.95Å; H80-D99 PolarHBondContact CE1-OD2 3.22Å; H80-D99 IonicContact CG-OD2 3.56Å; H80-D99 IonicContact ND1-OD1 2.94Å; H80-D99 IonicContact ND1-OD2 4Å; H80-D99 PolarHBondContact ND1-OD2 2.9Å; D99-R111 PolarHBondContact O-NE 3.17Å; D99-R111 PolarHBondContact O-NH2 2.84Å |
| 100 | Q | 93.8 | Very high | 83.2 | Confident | 86 Ų | 86 | 51.9 Ų | 51.9 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.4 | 179.5 | -174.8 | 174 | 5.3 | 0 | 0 | 110.5 | A76 V77 S79 L102 | A76-Q100 CarbonylContact C-O 3.46Å; A76-Q100 VanDerWaalsContact CA-O 3.27Å; A76-Q100 WeakPolarHBondContact CA-O 3.48Å; V77-Q100 HydrophobicContact CG2-CB 3.86Å; V77-Q100 HydrophobicContact CG2-CG 4.18Å; V77-Q100 PolarHBondContact N-O 3.05Å; V77-Q100 PolarHBondContact O-N 2.77Å; V77-Q100 VanDerWaalsContact O-N 3.09Å; S79-Q100 PolarHBondContact OG-OE1 2.89Å; Q100-L102 HydrophobicContact CG-CD2 3.92Å |
| 101 | V | 96 | Very high | 85.2 | Confident | 47 Ų | 47 | 53 Ų | 53 | 29% | 0.285 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 118.4 | 173.4 | -177 | 0 | 0 | 0 | 0 | 107.6 | A76 V103 N104 F109 R111 | A76-V101 HydrophobicContact CB-CG2 4.41Å; V101-V103 WeakPolarHBondContact CG1-O 3.32Å; V101-N104 HydrophobicContact CG1-CB 3.9Å; V101-F109 HydrophobicContact CG1-CD1 4.33Å; V101-F109 HydrophobicContact CG2-CD1 3.9Å; V101-F109 HydrophobicContact CG2-CE1 3.88Å; V101-R111 HydrophobicContact CG2-CB 3.95Å; V101-R111 HydrophobicContact CG2-CG 4.02Å |
| 102 | L | 96.5 | Very high | 86.9 | Confident | 99 Ų | 99 | 55.5 Ų | 55.5 | 52% | 0.518 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -38.5 | -178.5 | -56.8 | 179 | 0 | 0 | 0 | 111.6 | A75 V77 Q100 | A75-L102 HydrophobicContact CB-CB 4.3Å; A75-L102 PolarHBondContact O-N 2.62Å; V77-L102 HydrophobicContact CG1-CD1 3.71Å; V77-L102 HydrophobicContact CG1-CG 4.42Å; V77-L102 HydrophobicContact CG2-CD1 4.09Å; V77-L102 HydrophobicContact CG2-CD2 4.22Å; V77-L102 HydrophobicContact CG2-CG 4.12Å; Q100-L102 HydrophobicContact CG-CD2 3.92Å |
| 103 | V | 96.7 | Very high | 88.8 | Confident | 57 Ų | 57 | 54 Ų | 54 | 35% | 0.345 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 138.6 | -180 | -176.8 | 0 | 0 | 0 | 0 | 108 | A73 F74 A75 V101 E105 | A73-V103 HydrophobicContact CB-CG1 4.24Å; F74-V103 CarbonylContact C-O 3.57Å; F74-V103 WeakPolarHBondContact CA-O 3.35Å; A75-V103 HydrophobicContact CB-CB 4.06Å; A75-V103 HydrophobicContact CB-CG2 4.15Å; A75-V103 PolarHBondContact N-O 2.75Å; A75-V103 PolarHBondContact O-N 3.4Å; V101-V103 WeakPolarHBondContact CG1-O 3.32Å; V103-E105 HydrophobicContact CG1-CG 3.9Å |
| 104 | N | 96.3 | Very high | 90.4 | Very high | 61 Ų | 61 | 49.4 Ų | 49.4 | 33% | 0.326 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 50.7 | 173.5 | -160.7 | 13 | 0 | 0 | 0 | 111.6 | A73 V101 G107 F109 | A73-N104 CarbonylContact O-C 3.57Å; A73-N104 WeakPolarHBondContact O-CA 3.45Å; V101-N104 HydrophobicContact CG1-CB 3.9Å; N104-G107 PolarHBondContact O-N 2.81Å; N104-G107 VanDerWaalsContact O-N 3.16Å; N104-F109 PolarHBondContact ND2-O 2.88Å; N104-F109 WeakPolarHBondContact OD1-CB 3.26Å; N104-F109 PolarHBondContact OD1-N 3.4Å |
| 105 | E | 95.8 | Very high | 91.7 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 43% | 0.425 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 131.8 | 175.9 | -62.4 | -59.6 | 135 | 0 | 0 | 110.2 | V72 A73 V103 G107 | V72-E105 WeakPolarHBondContact CA-O 3.34Å; A73-E105 HydrophobicContact CB-CB 4.32Å; A73-E105 PolarHBondContact N-O 2.81Å; A73-E105 VanDerWaalsContact N-O 3.08Å; A73-E105 PolarHBondContact O-N 2.76Å; V103-E105 HydrophobicContact CG1-CG 3.9Å; E105-G107 PolarHBondContact O-N 3.29Å |
| 106 | G | 91.2 | Very high | 92.5 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 40% | 0.402 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G108 | G106-G108 PolarHBondContact O-N 3.09Å; G106-G108 VanDerWaalsContact O-N 3.12Å |
| 107 | G | 92.4 | Very high | 93 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 58% | 0.577 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 18.7 | 170 | 0 | 0 | 0 | 0 | 0 | 115.6 | N104 E105 | N104-G107 PolarHBondContact O-N 2.81Å; N104-G107 VanDerWaalsContact O-N 3.16Å; E105-G107 PolarHBondContact O-N 3.29Å |
| 108 | G | 93.6 | Very high | 93.4 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | trans | -76.9 | -20.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G106 F116 V117 | G106-G108 PolarHBondContact O-N 3.09Å; G106-G108 VanDerWaalsContact O-N 3.12Å; G108-F116 CarbonylContact O-C 3.49Å; G108-F116 WeakPolarHBondContact O-CA 3.27Å; G108-V117 WeakPolarHBondContact CA-O 3.47Å; G108-V117 PolarHBondContact O-N 3.13Å | ||
| 109 | F | 96.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 125.3 | -178.3 | -170 | -99.5 | 0 | 0 | 0 | 112.4 | F74 A76 F98 V101 N104 F116 F197 | F74-F109 HydrophobicContact CB-CB 3.64Å; F74-F109 HydrophobicContact CB-CG 4.21Å; F74-F109 HydrophobicContact CD2-CB 3.98Å; F74-F109 HydrophobicContact CD2-CD1 4.47Å; F74-F109 AromaticContact CD2-CD2 3.28Å; F74-F109 HydrophobicContact CD2-CD2 3.28Å; F74-F109 AromaticContact CD2-CE2 3.82Å; F74-F109 HydrophobicContact CD2-CE2 3.82Å; F74-F109 AromaticContact CD2-CG 3.66Å; F74-F109 HydrophobicContact CD2-CG 3.66Å; F74-F109 AromaticContact CE2-CD2 3.5Å; F74-F109 HydrophobicContact CE2-CD2 3.5Å; F74-F109 AromaticContact CE2-CE2 3.71Å; F74-F109 HydrophobicContact CE2-CE2 3.71Å; F74-F109 HydrophobicContact CE2-CG 4.34Å; F74-F109 HydrophobicContact CG-CB 3.82Å; F74-F109 AromaticContact CG-CD2 3.92Å; F74-F109 HydrophobicContact CG-CD2 3.92Å; F74-F109 HydrophobicContact CG-CG 4.05Å; F74-F109 HydrophobicContact CZ-CD2 4.29Å; A76-F109 HydrophobicContact CB-CD1 4.33Å; A76-F109 HydrophobicContact CB-CE1 3.58Å; A76-F109 HydrophobicContact CB-CZ 3.69Å; F98-F109 HydrophobicContact CD2-CZ 4.38Å; V101-F109 HydrophobicContact CG1-CD1 4.33Å; V101-F109 HydrophobicContact CG2-CD1 3.9Å; V101-F109 HydrophobicContact CG2-CE1 3.88Å; N104-F109 PolarHBondContact ND2-O 2.88Å; N104-F109 WeakPolarHBondContact OD1-CB 3.26Å; N104-F109 PolarHBondContact OD1-N 3.4Å; F109-F116 HydrophobicContact CD2-CB 4.17Å; F109-F197 AromaticContact CE2-CD1 3.87Å; F109-F197 HydrophobicContact CE2-CD1 3.87Å; F109-F197 HydrophobicContact CE2-CE1 4Å |
| 110 | D | 92.6 | Very high | 93.9 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115.1 | 173 | 171.3 | 24.8 | 0 | 0 | 0 | 110.9 | A112 S113 G114 S115 | D110-A112 VanDerWaalsContact C-N 3.32Å; D110-A112 PolarHBondContact O-N 2.85Å; D110-A112 PolarHBondContact OD1-N 2.9Å; D110-S113 WeakPolarHBondContact CB-OG 3.43Å; D110-S113 VanDerWaalsContact CG-OG 3.25Å; D110-S113 WeakPolarHBondContact OD2-CB 3.3Å; D110-S113 PolarHBondContact OD2-N 2.97Å; D110-S113 PolarHBondContact OD2-OG 2.97Å; D110-G114 WeakPolarHBondContact O-CA 3.28Å; D110-G114 PolarHBondContact O-N 3.46Å; D110-S115 PolarHBondContact N-O 2.9Å; D110-S115 PolarHBondContact O-N 3.21Å |
| 111 | R | 89.4 | Confident | 94 | Very high | 150 Ų | 150 | 52.4 Ų | 52.4 | 57% | 0.566 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -35.1 | 178.9 | -175.9 | -177.1 | 177.1 | -157.8 | -1.5 | 112.8 | D99 V101 | D99-R111 PolarHBondContact O-NE 3.17Å; D99-R111 PolarHBondContact O-NH2 2.84Å; V101-R111 HydrophobicContact CG2-CB 3.95Å; V101-R111 HydrophobicContact CG2-CG 4.02Å |
| 112 | A | 86.9 | Confident | 94 | Very high | 91 Ų | 91 | 50.1 Ų | 50.1 | 75% | 0.752 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -43.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D110 | D110-A112 VanDerWaalsContact C-N 3.32Å; D110-A112 PolarHBondContact O-N 2.85Å; D110-A112 PolarHBondContact OD1-N 2.9Å |
| 113 | S | 86.5 | Confident | 94.1 | Very high | 42 Ų | 42 | 46.6 Ų | 46.6 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -15.9 | 176.6 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | A95 D110 S115 | A95-S113 WeakPolarHBondContact CB-O 3.42Å; D110-S113 WeakPolarHBondContact CB-OG 3.43Å; D110-S113 VanDerWaalsContact CG-OG 3.25Å; D110-S113 WeakPolarHBondContact OD2-CB 3.3Å; D110-S113 PolarHBondContact OD2-N 2.97Å; D110-S113 PolarHBondContact OD2-OG 2.97Å; S113-S115 VanDerWaalsContact C-N 3.25Å; S113-S115 PolarHBondContact O-N 3Å; S113-S115 PolarHBondContact OG-OG 2.88Å |
| 114 | G | 90.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 29 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D110 | D110-G114 WeakPolarHBondContact O-CA 3.28Å; D110-G114 PolarHBondContact O-N 3.46Å |
| 115 | S | 94.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.5 | -173.5 | 69.8 | 0 | 0 | 0 | 0 | 112.6 | D110 S113 R178 V179 | D110-S115 PolarHBondContact N-O 2.9Å; D110-S115 PolarHBondContact O-N 3.21Å; S113-S115 VanDerWaalsContact C-N 3.25Å; S113-S115 PolarHBondContact O-N 3Å; S113-S115 PolarHBondContact OG-OG 2.88Å; S115-R178 PolarHBondContact OG-NH1 2.83Å; S115-V179 CarbonylContact C-O 3.53Å; S115-V179 WeakPolarHBondContact CA-O 3.27Å |
| 116 | F | 97.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 137.4 | 171.8 | 175.3 | -99.8 | 0 | 0 | 0 | 109.5 | V72 F74 G108 F109 A118 Y124 F126 L173 R178 V179 | V72-F116 HydrophobicContact CG1-CE2 3.79Å; V72-F116 HydrophobicContact CG1-CZ 3.75Å; F74-F116 HydrophobicContact CD1-CB 4.34Å; F74-F116 AromaticContact CD1-CD2 3.37Å; F74-F116 HydrophobicContact CD1-CD2 3.37Å; F74-F116 AromaticContact CD1-CE2 3.85Å; F74-F116 HydrophobicContact CD1-CE2 3.85Å; F74-F116 AromaticContact CD1-CG 3.99Å; F74-F116 HydrophobicContact CD1-CG 3.99Å; F74-F116 HydrophobicContact CE1-CB 3.87Å; F74-F116 HydrophobicContact CE1-CD1 4.46Å; F74-F116 AromaticContact CE1-CD2 3.6Å; F74-F116 HydrophobicContact CE1-CD2 3.6Å; F74-F116 HydrophobicContact CE1-CE2 4.26Å; F74-F116 AromaticContact CE1-CG 3.72Å; F74-F116 HydrophobicContact CE1-CG 3.72Å; F74-F116 HydrophobicContact CG-CD2 4.15Å; F74-F116 HydrophobicContact CZ-CB 4.05Å; F74-F116 HydrophobicContact CZ-CG 4.4Å; G108-F116 CarbonylContact O-C 3.49Å; G108-F116 WeakPolarHBondContact O-CA 3.27Å; F109-F116 HydrophobicContact CD2-CB 4.17Å; F116-A118 HydrophobicContact CE1-CB 4.13Å; F116-Y124 HydrophobicContact CE1-CD1 4.01Å; F116-Y124 AromaticContact CE1-CE1 3.92Å; F116-Y124 HydrophobicContact CE1-CE1 3.92Å; F116-Y124 AromaticContact CZ-CD1 3.98Å; F116-Y124 HydrophobicContact CZ-CD1 3.98Å; F116-Y124 AromaticContact CZ-CE1 3.62Å; F116-Y124 HydrophobicContact CZ-CE1 3.62Å; F116-F126 HydrophobicContact CB-CE1 4.47Å; F116-F126 AromaticContact CD1-CE1 3.76Å; F116-F126 HydrophobicContact CD1-CE1 3.76Å; F116-F126 AromaticContact CD1-CZ 3.76Å; F116-F126 HydrophobicContact CD1-CZ 3.76Å; F116-F126 HydrophobicContact CE1-CE1 4.26Å; F116-F126 AromaticContact CE1-CZ 3.97Å; F116-F126 HydrophobicContact CE1-CZ 3.97Å; F116-F126 HydrophobicContact CG-CE1 4.19Å; F116-L173 HydrophobicContact CD1-CD1 4.47Å; F116-L173 HydrophobicContact CE1-CD1 4.12Å; F116-R178 CarbonylContact O-C 3.55Å; F116-R178 VanDerWaalsContact O-CA 3.27Å; F116-R178 WeakPolarHBondContact O-CA 3.29Å; F116-V179 HydrophobicContact CB-CB 4.43Å; F116-V179 HydrophobicContact CD1-CB 4.47Å; F116-V179 PolarHBondContact N-O 3.16Å; F116-V179 PolarHBondContact O-N 3.29Å |
| 117 | V | 97.6 | Very high | 94.7 | Very high | 40 Ų | 40 | 42 Ų | 42 | 24% | 0.242 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 123 | 172.3 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | G108 P119 D177 R178 | G108-V117 WeakPolarHBondContact CA-O 3.47Å; G108-V117 PolarHBondContact O-N 3.13Å; V117-P119 VanDerWaalsContact O-CD 3.24Å; V117-P119 WeakPolarHBondContact O-CD 3.49Å; V117-D177 WeakPolarHBondContact CA-O 3.4Å; V117-R178 HydrophobicContact CG2-CG 4.46Å |
| 118 | A | 97.1 | Very high | 95 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | trans | -65.2 | 118.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F116 Y124 L173 P175 G176 D177 | F116-A118 HydrophobicContact CE1-CB 4.13Å; A118-Y124 HydrophobicContact CB-CE2 4.27Å; A118-L173 HydrophobicContact CB-CB 3.83Å; A118-L173 HydrophobicContact CB-CD1 3.99Å; A118-P175 WeakPolarHBondContact O-CA 3.34Å; A118-G176 PolarHBondContact O-N 2.86Å; A118-D177 PolarHBondContact N-O 2.87Å | ||
| 119 | P | 95.6 | Very high | 95.1 | Very high | 57 Ų | 57 | 41.6 Ų | 41.6 | 37% | 0.37 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -80.6 | -26.1 | 179.4 | 31.7 | -34.7 | 0 | 0 | 0 | 112.3 | V72 V117 | V72-P119 HydrophobicContact CB-CG 4.42Å; V72-P119 HydrophobicContact CG1-CG 3.85Å; V72-P119 HydrophobicContact CG2-CG 3.64Å; V117-P119 VanDerWaalsContact O-CD 3.24Å; V117-P119 WeakPolarHBondContact O-CD 3.49Å |
| 120 | V | 94.9 | Very high | 95 | Very high | 53 Ų | 53 | 41.3 Ų | 41.3 | 32% | 0.321 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -136.4 | 155.9 | -178.8 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | V72 Y124 L201 | V72-V120 HydrophobicContact CG2-CG2 4.22Å; V120-Y124 WeakPolarHBondContact CG2-OH 3.27Å; V120-Y124 PolarHBondContact O-OH 2.82Å; V120-L201 HydrophobicContact CG2-CD2 3.65Å |
| 121 | R | 96.3 | Very high | 94.9 | Very high | 127 Ų | 127 | 39 Ų | 39 | 48% | 0.479 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -69.9 | 135 | 174.1 | -164.6 | -179.7 | -171 | -147.5 | -2.5 | 110 | L173 D174 P175 P204 L205 | R121-L173 WeakPolarHBondContact CA-O 3.27Å; R121-D174 WeakPolarHBondContact CD-OD1 3.45Å; R121-D174 WeakPolarHBondContact CG-OD1 3.45Å; R121-D174 IonicContact CZ-OD1 3.4Å; R121-D174 IonicContact NE-OD1 2.75Å; R121-D174 PolarHBondContact NE-OD1 3.44Å; R121-P175 HydrophobicContact CB-CG 4.24Å; R121-P204 VanDerWaalsContact O-CA 3.29Å; R121-P204 WeakPolarHBondContact O-CA 3.28Å; R121-L205 HydrophobicContact CG-CB 4.18Å; R121-L205 PolarHBondContact O-N 2.86Å |
| 122 | G | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.4 | -176.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y124 P172 L173 F203 | G122-Y124 WeakPolarHBondContact O-CD2 3.34Å; G122-P172 WeakPolarHBondContact O-CA 3.31Å; G122-L173 PolarHBondContact N-O 2.76Å; G122-L173 VanDerWaalsContact N-O 3.11Å; G122-L173 PolarHBondContact O-N 3.17Å; G122-F203 VanDerWaalsContact CA-O 3.3Å; G122-F203 WeakPolarHBondContact CA-O 3.4Å |
| 123 | V | 97.5 | Very high | 94.4 | Very high | 24 Ų | 24 | 27.7 Ų | 27.7 | 15% | 0.145 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.2 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | L170 I202 F203 L205 | V123-L170 HydrophobicContact CG1-CB 4.43Å; V123-I202 HydrophobicContact CG1-CD1 4.31Å; V123-I202 WeakPolarHBondContact O-CB 3.4Å; V123-I202 PolarHBondContact O-N 3.45Å; V123-F203 HydrophobicContact CB-CD2 4.41Å; V123-F203 HydrophobicContact CB-CE1 4.36Å; V123-F203 HydrophobicContact CB-CE2 3.87Å; V123-F203 HydrophobicContact CB-CZ 3.83Å; V123-F203 HydrophobicContact CG1-CZ 4.44Å; V123-F203 HydrophobicContact CG2-CD2 4.28Å; V123-F203 HydrophobicContact CG2-CE2 3.43Å; V123-F203 VanDerWaalsContact CG2-CE2 3.43Å; V123-F203 HydrophobicContact CG2-CZ 3.6Å; V123-F203 PolarHBondContact N-O 3.41Å; V123-L205 HydrophobicContact CG2-CD1 3.94Å; V123-L205 HydrophobicContact CG2-CG 4.42Å |
| 124 | Y | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 143.4 | -176.2 | -68.5 | -98.9 | 0 | 0 | 0 | 111.1 | V72 F116 A118 V120 G122 F126 L170 L171 L173 F200 L201 | V72-Y124 HydrophobicContact CB-CE1 4.29Å; V72-Y124 HydrophobicContact CG1-CE1 4.03Å; F116-Y124 HydrophobicContact CE1-CD1 4.01Å; F116-Y124 AromaticContact CE1-CE1 3.92Å; F116-Y124 HydrophobicContact CE1-CE1 3.92Å; F116-Y124 AromaticContact CZ-CD1 3.98Å; F116-Y124 HydrophobicContact CZ-CD1 3.98Å; F116-Y124 AromaticContact CZ-CE1 3.62Å; F116-Y124 HydrophobicContact CZ-CE1 3.62Å; A118-Y124 HydrophobicContact CB-CE2 4.27Å; V120-Y124 WeakPolarHBondContact CG2-OH 3.27Å; V120-Y124 PolarHBondContact O-OH 2.82Å; G122-Y124 WeakPolarHBondContact O-CD2 3.34Å; Y124-F126 VanDerWaalsContact CB-CE2 3.45Å; Y124-F126 HydrophobicContact CG-CE2 4.39Å; Y124-F126 HydrophobicContact CG-CZ 4.32Å; Y124-L170 CarbonylContact O-C 3.59Å; Y124-L170 VanDerWaalsContact O-CA 3.28Å; Y124-L170 WeakPolarHBondContact O-CA 3.38Å; Y124-L171 PolarHBondContact N-O 3.21Å; Y124-L171 PolarHBondContact O-N 2.87Å; Y124-L173 HydrophobicContact CD2-CB 3.76Å; Y124-L173 HydrophobicContact CD2-CD1 3.66Å; Y124-L173 HydrophobicContact CD2-CG 3.77Å; Y124-L173 HydrophobicContact CE2-CB 3.85Å; Y124-L173 HydrophobicContact CE2-CD1 4.16Å; Y124-L173 HydrophobicContact CE2-CG 4.33Å; Y124-L173 HydrophobicContact CG-CD1 3.91Å; Y124-L173 HydrophobicContact CG-CG 4.41Å; Y124-F200 CarbonylContact C-O 3.51Å; Y124-F200 VanDerWaalsContact CA-O 3.31Å; Y124-F200 WeakPolarHBondContact CA-O 3.46Å; Y124-L201 HydrophobicContact CD1-CB 4.01Å; Y124-L201 HydrophobicContact CD1-CD1 4.38Å; Y124-L201 HydrophobicContact CD2-CD1 4.23Å; Y124-L201 HydrophobicContact CE1-CB 3.7Å; Y124-L201 HydrophobicContact CE1-CD1 4.01Å; Y124-L201 HydrophobicContact CE1-CG 4.4Å; Y124-L201 HydrophobicContact CE2-CD1 3.86Å; Y124-L201 HydrophobicContact CG-CD1 4.48Å |
| 125 | S | 98.2 | Very high | 93 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 13% | 0.133 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132 | 168.1 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | G199 F200 | S125-G199 CarbonylContact O-C 3.57Å; S125-G199 WeakPolarHBondContact O-CA 3.4Å; S125-F200 PolarHBondContact N-O 2.95Å; S125-F200 PolarHBondContact O-N 3.17Å |
| 126 | F | 98.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.9 | 173.1 | -63.7 | -81.6 | 0 | 0 | 0 | 110.7 | F74 F116 Y124 L143 S168 V169 L171 L173 V179 F197 | F74-F126 AromaticContact CE1-CD1 3.99Å; F74-F126 HydrophobicContact CE1-CD1 3.99Å; F74-F126 AromaticContact CE1-CE1 3.7Å; F74-F126 HydrophobicContact CE1-CE1 3.7Å; F74-F126 HydrophobicContact CZ-CD1 4Å; F74-F126 HydrophobicContact CZ-CE1 4.05Å; F116-F126 HydrophobicContact CB-CE1 4.47Å; F116-F126 AromaticContact CD1-CE1 3.76Å; F116-F126 HydrophobicContact CD1-CE1 3.76Å; F116-F126 AromaticContact CD1-CZ 3.76Å; F116-F126 HydrophobicContact CD1-CZ 3.76Å; F116-F126 HydrophobicContact CE1-CE1 4.26Å; F116-F126 AromaticContact CE1-CZ 3.97Å; F116-F126 HydrophobicContact CE1-CZ 3.97Å; F116-F126 HydrophobicContact CG-CE1 4.19Å; Y124-F126 VanDerWaalsContact CB-CE2 3.45Å; Y124-F126 HydrophobicContact CG-CE2 4.39Å; Y124-F126 HydrophobicContact CG-CZ 4.32Å; F126-L143 HydrophobicContact CB-CD1 3.64Å; F126-L143 HydrophobicContact CG-CD1 4.16Å; F126-S168 CarbonylContact O-C 3.56Å; F126-S168 WeakPolarHBondContact O-CA 3.23Å; F126-S168 WeakPolarHBondContact O-CB 3.4Å; F126-V169 HydrophobicContact CB-CG1 4.42Å; F126-V169 PolarHBondContact N-O 2.92Å; F126-V169 PolarHBondContact O-N 3.44Å; F126-L171 HydrophobicContact CD2-CD1 4.33Å; F126-L171 HydrophobicContact CE2-CB 4.36Å; F126-L173 HydrophobicContact CE2-CD1 3.76Å; F126-L173 HydrophobicContact CZ-CD1 3.62Å; F126-V179 HydrophobicContact CD1-CG1 4.08Å; F126-V179 HydrophobicContact CE1-CB 4.02Å; F126-V179 HydrophobicContact CE1-CG1 3.97Å; F126-V179 HydrophobicContact CE1-CG2 4.2Å; F126-V179 HydrophobicContact CE2-CG1 4.43Å; F126-V179 HydrophobicContact CE2-CG2 3.99Å; F126-V179 HydrophobicContact CG-CG1 4.35Å; F126-V179 HydrophobicContact CZ-CB 4.03Å; F126-V179 HydrophobicContact CZ-CG1 4.17Å; F126-V179 HydrophobicContact CZ-CG2 3.68Å; F126-F197 HydrophobicContact CD1-CE2 4.06Å; F126-F197 HydrophobicContact CD1-CZ 4.21Å |
| 127 | R | 98.3 | Very high | 91.6 | Very high | 132 Ų | 132 | 46.5 Ų | 46.5 | 50% | 0.498 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 140 | 172.2 | 177.1 | 171.9 | -78.7 | -168.1 | -1.1 | 109.7 | S198 | R127-S198 PolarHBondContact N-O 2.8Å; R127-S198 PolarHBondContact O-N 2.88Å; R127-S198 VanDerWaalsContact O-O 3.1Å |
| 128 | F | 98 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 151 | 172 | 69.5 | -92.6 | 0 | 0 | 0 | 112 | V130 V141 L143 I151 A153 T166 S167 L181 S196 F197 | F128-V130 HydrophobicContact CD2-CG2 4.15Å; F128-V141 HydrophobicContact CD2-CG1 4.22Å; F128-V141 HydrophobicContact CE2-CB 4.08Å; F128-V141 HydrophobicContact CE2-CG1 3.79Å; F128-V141 HydrophobicContact CZ-CG1 4.3Å; F128-L143 HydrophobicContact CD1-CB 4.4Å; F128-L143 HydrophobicContact CD1-CD1 4.35Å; F128-L143 HydrophobicContact CE1-CB 4.02Å; F128-I151 HydrophobicContact CE1-CD1 3.87Å; F128-I151 HydrophobicContact CE1-CG1 4.35Å; F128-A153 HydrophobicContact CE2-CB 3.78Å; F128-A153 HydrophobicContact CZ-CB 3.77Å; F128-T166 WeakPolarHBondContact O-CA 3.31Å; F128-S167 PolarHBondContact N-O 2.87Å; F128-S167 PolarHBondContact O-N 3.12Å; F128-L181 HydrophobicContact CB-CD1 3.52Å; F128-L181 HydrophobicContact CB-CD2 4.02Å; F128-L181 HydrophobicContact CB-CG 4.4Å; F128-L181 HydrophobicContact CD1-CD2 3.62Å; F128-L181 HydrophobicContact CD2-CD1 4.23Å; F128-L181 HydrophobicContact CD2-CD2 4.39Å; F128-L181 HydrophobicContact CE1-CD2 4.13Å; F128-L181 HydrophobicContact CG-CD1 3.89Å; F128-L181 HydrophobicContact CG-CD2 3.76Å; F128-S196 CarbonylContact C-O 3.51Å; F128-S196 WeakPolarHBondContact CA-O 3.28Å; F128-F197 HydrophobicContact CB-CD2 4Å |
| 129 | H | 96.5 | Very high | 90.8 | Very high | 57 Ų | 57 | 46 Ų | 46 | 26% | 0.264 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 114.7 | 169.4 | -59.7 | -89.1 | 0 | 0 | 0 | 106.7 | T166 S195 S196 | H129-T166 WeakPolarHBondContact CE1-CG2 3.31Å; H129-T166 WeakPolarHBondContact ND1-CG2 2.9Å; H129-T166 PolarHBondContact ND1-OG1 2.86Å; H129-S195 CarbonylContact O-C 3.52Å; H129-S195 WeakPolarHBondContact O-CA 3.33Å; H129-S195 WeakPolarHBondContact O-CB 3.06Å; H129-S196 PolarHBondContact CD2-OG 3.05Å; H129-S196 PolarHBondContact N-O 3Å; H129-S196 PolarHBondContact O-N 2.87Å |
| 130 | V | 93.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 109.3 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | I96 F128 V141 A164 A165 L181 L188 S195 | I96-V130 HydrophobicContact CD1-CG1 4.29Å; I96-V130 HydrophobicContact CD1-CG2 4.08Å; F128-V130 HydrophobicContact CD2-CG2 4.15Å; V130-V141 HydrophobicContact CB-CG2 3.94Å; V130-V141 HydrophobicContact CG1-CG2 4Å; V130-V141 HydrophobicContact CG2-CG1 4Å; V130-V141 HydrophobicContact CG2-CG2 4.12Å; V130-A164 CarbonylContact O-C 3.44Å; V130-A164 VanDerWaalsContact O-CA 3.3Å; V130-A164 WeakPolarHBondContact O-CA 3.3Å; V130-A165 PolarHBondContact N-O 2.74Å; V130-A165 PolarHBondContact O-N 2.92Å; V130-L181 HydrophobicContact CG2-CD1 4.15Å; V130-L188 HydrophobicContact CG1-CD1 4.14Å; V130-L188 HydrophobicContact CG1-CD2 4.01Å; V130-S195 WeakPolarHBondContact CA-OG 3.22Å |
| 131 | V | 91 | Very high | 90.7 | Very high | 20 Ų | 20 | 42.8 Ų | 42.8 | 12% | 0.121 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.2 | -178.2 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | V133 E163 A164 W192 S195 | V131-V133 HydrophobicContact CG1-CG2 4.13Å; V131-E163 WeakPolarHBondContact CA-O 3.41Å; V131-A164 HydrophobicContact CG2-CB 4.13Å; V131-W192 WeakPolarHBondContact O-CA 3.44Å; V131-W192 WeakPolarHBondContact O-CB 3.29Å; V131-S195 PolarHBondContact N-OG 3.39Å |
| 132 | K | 86.1 | Confident | 90.7 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 138.3 | 165.7 | 71.1 | 174.1 | -170.2 | 167.5 | 0 | 109 | N135 Q137 V139 A155 D157 E163 L188 | K132-N135 HydrophobicContact CB-CB 4.33Å; K132-N135 HydrophobicContact CD-CB 4.3Å; K132-N135 WeakPolarHBondContact CE-O 3.28Å; K132-N135 PolarHBondContact NZ-O 2.92Å; K132-Q137 PolarHBondContact NZ-O 3.4Å; K132-Q137 VanDerWaalsContact NZ-O 3.16Å; K132-V139 HydrophobicContact CD-CG2 4.22Å; K132-A155 HydrophobicContact CD-CB 3.95Å; K132-A155 HydrophobicContact CG-CB 4.29Å; K132-D157 PolarHBondContact NZ-O 2.82Å; K132-E163 WeakPolarHBondContact CE-OE2 3.42Å; K132-E163 HydrophobicContact CG-CB 4.26Å; K132-E163 PolarHBondContact N-O 3.03Å; K132-E163 IonicContact NZ-OE2 3.88Å; K132-E163 PolarHBondContact NZ-OE2 3.21Å; K132-E163 PolarHBondContact O-N 2.83Å; K132-L188 HydrophobicContact CB-CD2 4.48Å |
| 133 | V | 80.1 | Confident | 90.8 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.5 | 178.6 | -162.9 | 0 | 0 | 0 | 0 | 108.4 | V131 N135 R162 | V131-V133 HydrophobicContact CG1-CG2 4.13Å; V133-N135 VanDerWaalsContact C-N 3.28Å; V133-N135 PolarHBondContact O-N 2.65Å; V133-R162 HydrophobicContact CG1-CG 4.22Å |
| 134 | Y | 73.9 | Confident | 90.8 | Very high | 151 Ų | 151 | 35.8 Ų | 35.8 | 59% | 0.592 | 16% | 0.155 | S | C | * | . | S | Bend | trans | 58 | 33.8 | 177.8 | -52 | -72.9 | 0 | 0 | 0 | 114.9 | V160 | Y134-V160 VanDerWaalsContact CA-CG1 3.5Å; Y134-V160 HydrophobicContact CD1-CG1 3.69Å; Y134-V160 HydrophobicContact CG-CG1 4.24Å |
| 135 | N | 74.2 | Confident | 90.8 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.053 | 16% | 0.163 | C | C | . | . | trans | -124.6 | 116.4 | -174.6 | -163.7 | -33.4 | 0 | 0 | 0 | 112.9 | K132 V133 Q137 N187 L189 | K132-N135 HydrophobicContact CB-CB 4.33Å; K132-N135 HydrophobicContact CD-CB 4.3Å; K132-N135 WeakPolarHBondContact CE-O 3.28Å; K132-N135 PolarHBondContact NZ-O 2.92Å; V133-N135 VanDerWaalsContact C-N 3.28Å; V133-N135 PolarHBondContact O-N 2.65Å; N135-Q137 VanDerWaalsContact C-N 3.34Å; N135-Q137 WeakPolarHBondContact OD1-CB 3.43Å; N135-Q137 PolarHBondContact OD1-N 3.16Å; N135-N187 PolarHBondContact ND2-O 2.77Å; N135-N187 PolarHBondContact ND2-OD1 2.92Å; N135-L189 PolarHBondContact ND2-O 2.64Å; N135-L189 VanDerWaalsContact ND2-O 3.17Å | ||
| 136 | R | 80.4 | Confident | 90.6 | Very high | 182 Ų | 182 | 39.5 Ų | 39.5 | 69% | 0.687 | 17% | 0.173 | S | C | * | . | trans | -81.3 | -10.7 | -179.6 | -61.4 | -174.5 | -179.6 | -178.8 | -2 | 113.9 | V160 | R136-V160 HydrophobicContact CG-CG2 3.87Š| ||
| 137 | Q | 82.6 | Confident | 90.3 | Very high | 98 Ų | 98 | 43.8 Ų | 43.8 | 46% | 0.458 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -79.3 | 145.7 | 179.3 | -63.1 | -167.7 | -11.5 | 0 | 0 | 110.8 | K132 N135 V139 N187 | K132-Q137 PolarHBondContact NZ-O 3.4Å; K132-Q137 VanDerWaalsContact NZ-O 3.16Å; N135-Q137 VanDerWaalsContact C-N 3.34Å; N135-Q137 WeakPolarHBondContact OD1-CB 3.43Å; N135-Q137 PolarHBondContact OD1-N 3.16Å; Q137-V139 PolarHBondContact O-N 3.39Å; Q137-N187 PolarHBondContact OE1-ND2 2.84Å |
| 138 | T | 87.3 | Confident | 90.2 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 123.3 | 167.5 | -43.7 | 0 | 0 | 0 | 0 | 109.4 | A155 N156 G186 | T138-A155 WeakPolarHBondContact CA-O 3.32Å; T138-N156 WeakPolarHBondContact CB-OD1 3.12Å; T138-N156 HydrophobicContact CG2-CB 3.95Å; T138-N156 WeakPolarHBondContact CG2-OD1 3.33Å; T138-N156 PolarHBondContact OG1-OD1 2.76Å; T138-G186 WeakPolarHBondContact O-CA 3.18Å |
| 139 | V | 89.8 | Confident | 90.1 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 133.4 | 175.4 | 162.4 | 0 | 0 | 0 | 0 | 109.1 | K132 Q137 V141 F154 A155 L183 R185 N187 L188 | K132-V139 HydrophobicContact CD-CG2 4.22Å; Q137-V139 PolarHBondContact O-N 3.39Å; V139-V141 HydrophobicContact CG1-CG2 3.8Å; V139-F154 CarbonylContact O-C 3.58Å; V139-F154 VanDerWaalsContact O-CA 3.29Å; V139-F154 WeakPolarHBondContact O-CA 3.22Å; V139-A155 HydrophobicContact CB-CB 4.36Å; V139-A155 PolarHBondContact N-O 3.2Å; V139-A155 PolarHBondContact O-N 2.96Å; V139-L183 HydrophobicContact CB-CD1 4.49Å; V139-L183 HydrophobicContact CG1-CD1 3.56Å; V139-R185 WeakPolarHBondContact CA-O 3.27Å; V139-N187 VanDerWaalsContact CG2-O 3.31Å; V139-N187 WeakPolarHBondContact CG2-O 3.22Å; V139-L188 HydrophobicContact CG1-CD2 4.2Å; V139-L188 HydrophobicContact CG2-CD2 4.27Å |
| 140 | Q | 93.3 | Very high | 90.1 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 119 | 169.2 | -178.5 | -177.1 | -1.4 | 0 | 0 | 109.4 | A153 F154 R184 R185 | Q140-A153 WeakPolarHBondContact CA-O 3.44Å; Q140-F154 HydrophobicContact CB-CD1 3.8Å; Q140-F154 HydrophobicContact CB-CE1 3.69Å; Q140-F154 HydrophobicContact CG-CD1 3.87Å; Q140-F154 HydrophobicContact CG-CE1 3.39Å; Q140-F154 HydrophobicContact CG-CZ 3.8Å; Q140-R184 HydrophobicContact CB-CB 4.38Å; Q140-R184 HydrophobicContact CG-CB 4.13Å; Q140-R184 PolarHBondContact O-N 2.98Å; Q140-R185 HydrophobicContact CB-CB 3.72Å; Q140-R185 PolarHBondContact N-O 3.4Å |
| 141 | V | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.9 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | I96 F128 V130 V139 S152 A153 A165 L181 R182 L183 | I96-V141 HydrophobicContact CD1-CB 4.4Å; I96-V141 HydrophobicContact CD1-CG1 3.69Å; I96-V141 HydrophobicContact CD1-CG2 3.83Å; F128-V141 HydrophobicContact CD2-CG1 4.22Å; F128-V141 HydrophobicContact CE2-CB 4.08Å; F128-V141 HydrophobicContact CE2-CG1 3.79Å; F128-V141 HydrophobicContact CZ-CG1 4.3Å; V130-V141 HydrophobicContact CB-CG2 3.94Å; V130-V141 HydrophobicContact CG1-CG2 4Å; V130-V141 HydrophobicContact CG2-CG1 4Å; V130-V141 HydrophobicContact CG2-CG2 4.12Å; V139-V141 HydrophobicContact CG1-CG2 3.8Å; V141-S152 CarbonylContact O-C 3.6Å; V141-S152 VanDerWaalsContact O-CA 3.26Å; V141-S152 WeakPolarHBondContact O-CA 3.11Å; V141-A153 PolarHBondContact N-O 2.86Å; V141-A153 PolarHBondContact O-N 2.81Å; V141-A165 HydrophobicContact CB-CB 4.33Å; V141-A165 HydrophobicContact CG2-CB 4.13Å; V141-L181 HydrophobicContact CG1-CB 4.21Å; V141-R182 WeakPolarHBondContact CA-O 3.44Å; V141-L183 HydrophobicContact CG2-CD1 4.22Å |
| 142 | S | 96.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.6 | 174.1 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | I151 S152 L181 R182 R184 | S142-I151 CarbonylContact C-O 3.54Å; S142-I151 VanDerWaalsContact CA-O 3.26Å; S142-I151 WeakPolarHBondContact CA-O 3.3Å; S142-S152 PolarHBondContact OG-OG 2.92Å; S142-L181 WeakPolarHBondContact O-CA 3.34Å; S142-R182 PolarHBondContact N-O 2.96Å; S142-R182 PolarHBondContact O-N 3.21Å; S142-R184 VanDerWaalsContact OG-CG 3.24Å; S142-R184 WeakPolarHBondContact OG-CG 3.26Å |
| 143 | L | 97.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 123.1 | 161.6 | -176 | 148.3 | 0 | 0 | 0 | 107.8 | F126 F128 V150 I151 V169 L171 V179 L181 F197 | F126-L143 HydrophobicContact CB-CD1 3.64Å; F126-L143 HydrophobicContact CG-CD1 4.16Å; F128-L143 HydrophobicContact CD1-CB 4.4Å; F128-L143 HydrophobicContact CD1-CD1 4.35Å; F128-L143 HydrophobicContact CE1-CB 4.02Å; L143-V150 HydrophobicContact CD2-CB 4.14Å; L143-V150 HydrophobicContact CD2-CG2 4.27Å; L143-V150 PolarHBondContact O-N 3.03Å; L143-I151 HydrophobicContact CB-CD1 4.24Å; L143-I151 HydrophobicContact CB-CG1 3.68Å; L143-I151 PolarHBondContact N-O 3.13Å; L143-V169 HydrophobicContact CD1-CG1 4.23Å; L143-V169 HydrophobicContact CD2-CG1 4.28Å; L143-L171 HydrophobicContact CD2-CD1 3.87Å; L143-V179 HydrophobicContact CD1-CG1 3.97Å; L143-V179 HydrophobicContact CD2-CG1 3.71Å; L143-V179 HydrophobicContact CG-CG1 3.77Å; L143-L181 HydrophobicContact CB-CD2 3.93Å; L143-L181 HydrophobicContact CD1-CD2 4.31Å; L143-L181 HydrophobicContact CG-CD2 4.22Å; L143-F197 HydrophobicContact CD1-CE2 4.3Å |
| 144 | M | 97.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.5 | -177.6 | -52 | -62.4 | -63.9 | 0 | 0 | 108.6 | T147 W148 P149 V179 S180 R182 | M144-T147 WeakPolarHBondContact CE-O 3.3Å; M144-W148 CarbonylContact C-O 3.54Å; M144-W148 VanDerWaalsContact CA-O 3.3Å; M144-W148 WeakPolarHBondContact CA-O 3.15Å; M144-P149 HydrophobicContact CE-CB 4.24Å; M144-P149 HydrophobicContact SD-CB 3.86Å; M144-V179 VanDerWaalsContact O-CA 3.29Å; M144-V179 WeakPolarHBondContact O-CA 3.45Å; M144-S180 PolarHBondContact N-O 2.74Å; M144-S180 PolarHBondContact O-N 3.32Å; M144-R182 HydrophobicContact CG-CB 3.74Å; M144-R182 HydrophobicContact CG-CG 3.62Å; M144-R182 HydrophobicContact SD-CB 4.14Å; M144-R182 HydrophobicContact SD-CG 4.47Å |
| 145 | L | 97.5 | Very high | 92.6 | Very high | 35 Ų | 35 | 50.6 Ų | 50.6 | 18% | 0.183 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 115.1 | 161.2 | 174.8 | 57.5 | 0 | 0 | 0 | 107.3 | T147 W148 V150 L173 D177 R178 V179 | L145-T147 PolarHBondContact O-N 3.37Å; L145-W148 PolarHBondContact N-O 2.69Å; L145-W148 PolarHBondContact O-N 3.45Å; L145-V150 HydrophobicContact CB-CG2 3.52Å; L145-L173 HydrophobicContact CD1-CD2 3.47Å; L145-L173 VanDerWaalsContact CD1-CD2 3.47Å; L145-L173 HydrophobicContact CD2-CD2 4.2Å; L145-L173 HydrophobicContact CG-CD2 4.48Å; L145-D177 HydrophobicContact CD1-CB 3.94Å; L145-R178 CarbonylContact C-O 3.55Å; L145-V179 HydrophobicContact CD1-CG2 4.09Å |
| 146 | N | 95.3 | Very high | 93.2 | Very high | 62 Ų | 62 | 54.9 Ų | 54.9 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | -109.3 | -168.1 | -59.6 | -44.5 | 0 | 0 | 0 | 109.9 | D177 R178 | N146-D177 PolarHBondContact ND2-OD1 3.3Å; N146-R178 PolarHBondContact N-O 2.88Å; N146-R178 PolarHBondContact OD1-N 2.9Å |
| 147 | T | 92.1 | Very high | 93.1 | Very high | 90 Ų | 90 | 48.2 Ų | 48.2 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -3.3 | 177.8 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | M144 L145 | M144-T147 WeakPolarHBondContact CE-O 3.3Å; L145-T147 PolarHBondContact O-N 3.37Å |
| 148 | W | 95.3 | Very high | 92.4 | Very high | 190 Ų | 190 | 48 Ų | 48 | 72% | 0.72 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.8 | -171 | -62 | 109.8 | 0 | 0 | 0 | 112 | M144 L145 | M144-W148 CarbonylContact C-O 3.54Å; M144-W148 VanDerWaalsContact CA-O 3.3Å; M144-W148 WeakPolarHBondContact CA-O 3.15Å; L145-W148 PolarHBondContact N-O 2.69Å; L145-W148 PolarHBondContact O-N 3.45Å |
| 149 | P | 96.1 | Very high | 91.5 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 38% | 0.383 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 130.3 | 174.9 | 31.4 | -34.2 | 0 | 0 | 0 | 110.3 | M144 | M144-P149 HydrophobicContact CE-CB 4.24Å; M144-P149 HydrophobicContact SD-CB 3.86Å |
| 150 | V | 97.7 | Very high | 90.3 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -58.7 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | L143 L145 V169 L171 | L143-V150 HydrophobicContact CD2-CB 4.14Å; L143-V150 HydrophobicContact CD2-CG2 4.27Å; L143-V150 PolarHBondContact O-N 3.03Å; L145-V150 HydrophobicContact CB-CG2 3.52Å; V150-V169 HydrophobicContact CG1-CG2 4.34Å; V150-L171 HydrophobicContact CB-CD1 4.5Å; V150-L171 HydrophobicContact CG1-CD1 4.12Å; V150-L171 HydrophobicContact CG1-CD2 3.79Å; V150-L171 HydrophobicContact CG1-CG 4.42Å; V150-L171 HydrophobicContact CG2-CD1 4.17Å |
| 151 | I | 98.1 | Very high | 89.3 | Confident | 34 Ų | 34 | 54.9 Ų | 54.9 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153.3 | 178.1 | 54.8 | 162.6 | 0 | 0 | 0 | 109.5 | F128 S142 L143 S167 V169 | F128-I151 HydrophobicContact CE1-CD1 3.87Å; F128-I151 HydrophobicContact CE1-CG1 4.35Å; S142-I151 CarbonylContact C-O 3.54Å; S142-I151 VanDerWaalsContact CA-O 3.26Å; S142-I151 WeakPolarHBondContact CA-O 3.3Å; L143-I151 HydrophobicContact CB-CD1 4.24Å; L143-I151 HydrophobicContact CB-CG1 3.68Å; L143-I151 PolarHBondContact N-O 3.13Å; I151-S167 WeakPolarHBondContact CD1-OG 3.31Å; I151-V169 HydrophobicContact CD1-CB 3.75Å; I151-V169 HydrophobicContact CD1-CG1 3.65Å; I151-V169 HydrophobicContact CG1-CB 4.28Å; I151-V169 HydrophobicContact CG1-CG1 4.02Å; I151-V169 HydrophobicContact CG2-CB 4.06Å; I151-V169 HydrophobicContact CG2-CG2 4.12Å |
| 152 | S | 97.3 | Very high | 88.7 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 33% | 0.329 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 148.4 | 175.6 | -60.7 | 0 | 0 | 0 | 0 | 111 | V141 S142 | V141-S152 CarbonylContact O-C 3.6Å; V141-S152 VanDerWaalsContact O-CA 3.26Å; V141-S152 WeakPolarHBondContact O-CA 3.11Å; S142-S152 PolarHBondContact OG-OG 2.92Å |
| 153 | A | 96.6 | Very high | 88.3 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 153.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F128 Q140 V141 A165 T166 | F128-A153 HydrophobicContact CE2-CB 3.78Å; F128-A153 HydrophobicContact CZ-CB 3.77Å; Q140-A153 WeakPolarHBondContact CA-O 3.44Å; V141-A153 PolarHBondContact N-O 2.86Å; V141-A153 PolarHBondContact O-N 2.81Å; A153-A165 HydrophobicContact CB-CB 3.88Å; A153-T166 WeakPolarHBondContact CB-O 3.14Å |
| 154 | F | 93.7 | Very high | 88 | Confident | 111 Ų | 111 | 66.5 Ų | 66.5 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.9 | -177.5 | -61.4 | -92.7 | 0 | 0 | 0 | 110.4 | V139 Q140 | V139-F154 CarbonylContact O-C 3.58Å; V139-F154 VanDerWaalsContact O-CA 3.29Å; V139-F154 WeakPolarHBondContact O-CA 3.22Å; Q140-F154 HydrophobicContact CB-CD1 3.8Å; Q140-F154 HydrophobicContact CB-CE1 3.69Å; Q140-F154 HydrophobicContact CG-CD1 3.87Å; Q140-F154 HydrophobicContact CG-CE1 3.39Å; Q140-F154 HydrophobicContact CG-CZ 3.8Å |
| 155 | A | 90.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 108.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | K132 T138 V139 E163 A165 | K132-A155 HydrophobicContact CD-CB 3.95Å; K132-A155 HydrophobicContact CG-CB 4.29Å; T138-A155 WeakPolarHBondContact CA-O 3.32Å; V139-A155 HydrophobicContact CB-CB 4.36Å; V139-A155 PolarHBondContact N-O 3.2Å; V139-A155 PolarHBondContact O-N 2.96Å; A155-E163 VanDerWaalsContact C-CD 3.49Å; A155-E163 WeakPolarHBondContact CA-OE1 3.21Å; A155-E163 VanDerWaalsContact CA-OE2 3.22Å; A155-E163 WeakPolarHBondContact CA-OE2 3.18Å; A155-E163 HydrophobicContact CB-CB 4.27Å; A155-E163 HydrophobicContact CB-CG 3.97Å; A155-E163 WeakPolarHBondContact CB-OE2 3.08Å; A155-A165 HydrophobicContact CB-CB 4.2Å |
| 156 | N | 86.9 | Confident | 87.8 | Confident | 99 Ų | 99 | 67.8 Ų | 67.8 | 53% | 0.529 | 36% | 0.361 | S | S | . | . | trans | -125.1 | 34.9 | -169.9 | -166.7 | 42.4 | 0 | 0 | 0 | 114.7 | T138 P158 E163 | T138-N156 WeakPolarHBondContact CB-OD1 3.12Å; T138-N156 HydrophobicContact CG2-CB 3.95Å; T138-N156 WeakPolarHBondContact CG2-OD1 3.33Å; T138-N156 PolarHBondContact OG1-OD1 2.76Å; N156-P158 VanDerWaalsContact O-CD 3.31Å; N156-P158 WeakPolarHBondContact O-CD 3.05Å; N156-E163 PolarHBondContact N-OE1 2.97Å; N156-E163 PolarHBondContact N-OE2 2.83Å | ||
| 157 | D | 79.2 | Confident | 87.9 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | trans | -75.7 | 118.6 | 172.3 | -162.6 | -30.7 | 0 | 0 | 0 | 109 | K132 D159 T161 E163 | K132-D157 PolarHBondContact NZ-O 2.82Å; D157-D159 VanDerWaalsContact C-N 3.26Å; D157-D159 WeakPolarHBondContact OD1-CB 3.37Å; D157-D159 PolarHBondContact OD1-N 2.92Å; D157-T161 PolarHBondContact OD2-OG1 2.85Å; D157-E163 HydrophobicContact CB-CB 4.22Å; D157-E163 HydrophobicContact CB-CG 4.38Å; D157-E163 VanDerWaalsContact CB-OE2 3.28Å; D157-E163 WeakPolarHBondContact CB-OE2 3.25Å; D157-E163 PolarHBondContact N-OE2 2.95Å | ||
| 158 | P | 66.6 | Low | 88.2 | Confident | 92 Ų | 92 | 65 Ų | 65 | 60% | 0.597 | 35% | 0.35 | S | S | * | . | trans | -73.7 | -18 | 177.1 | 31.4 | -35.7 | 0 | 0 | 0 | 112.8 | N156 | N156-P158 VanDerWaalsContact O-CD 3.31Å; N156-P158 WeakPolarHBondContact O-CD 3.05Å | ||
| 159 | D | 69.9 | Low | 88.3 | Confident | 106 Ų | 106 | 57.3 Ų | 57.3 | 57% | 0.567 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -84.9 | 163.6 | 177.5 | -67.4 | -38.7 | 0 | 0 | 0 | 111.4 | D157 T161 | D157-D159 VanDerWaalsContact C-N 3.26Å; D157-D159 WeakPolarHBondContact OD1-CB 3.37Å; D157-D159 PolarHBondContact OD1-N 2.92Å; D159-T161 HydrophobicContact CB-CG2 3.86Å; D159-T161 PolarHBondContact O-N 2.92Å |
| 160 | V | 63.9 | Low | 88.4 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 38% | 0.376 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -82.8 | 53.2 | -179.2 | -164.8 | 0 | 0 | 0 | 0 | 110.2 | Y134 R136 | Y134-V160 VanDerWaalsContact CA-CG1 3.5Å; Y134-V160 HydrophobicContact CD1-CG1 3.69Å; Y134-V160 HydrophobicContact CG-CG1 4.24Å; R136-V160 HydrophobicContact CG-CG2 3.87Å |
| 161 | T | 73.4 | Confident | 88.4 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -102.9 | -179.1 | -177.8 | 62.3 | 0 | 0 | 0 | 0 | 110.3 | D157 D159 | D157-T161 PolarHBondContact OD2-OG1 2.85Å; D159-T161 HydrophobicContact CB-CG2 3.86Å; D159-T161 PolarHBondContact O-N 2.92Å |
| 162 | R | 80.1 | Confident | 88.4 | Confident | 147 Ų | 147 | 59.7 Ų | 59.7 | 56% | 0.555 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 126.5 | 172 | -66.1 | -179.5 | 179.9 | 172.1 | 0.4 | 108.5 | V133 | V133-R162 HydrophobicContact CG1-CG 4.22Å |
| 163 | E | 88.9 | Confident | 88.4 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 150.6 | 178 | -166.4 | -168.6 | -175 | 0 | 0 | 109.6 | V131 K132 A155 N156 D157 | V131-E163 WeakPolarHBondContact CA-O 3.41Å; K132-E163 WeakPolarHBondContact CE-OE2 3.42Å; K132-E163 HydrophobicContact CG-CB 4.26Å; K132-E163 PolarHBondContact N-O 3.03Å; K132-E163 IonicContact NZ-OE2 3.88Å; K132-E163 PolarHBondContact NZ-OE2 3.21Å; K132-E163 PolarHBondContact O-N 2.83Å; A155-E163 VanDerWaalsContact C-CD 3.49Å; A155-E163 WeakPolarHBondContact CA-OE1 3.21Å; A155-E163 VanDerWaalsContact CA-OE2 3.22Å; A155-E163 WeakPolarHBondContact CA-OE2 3.18Å; A155-E163 HydrophobicContact CB-CB 4.27Å; A155-E163 HydrophobicContact CB-CG 3.97Å; A155-E163 WeakPolarHBondContact CB-OE2 3.08Å; N156-E163 PolarHBondContact N-OE1 2.97Å; N156-E163 PolarHBondContact N-OE2 2.83Å; D157-E163 HydrophobicContact CB-CB 4.22Å; D157-E163 HydrophobicContact CB-CG 4.38Å; D157-E163 VanDerWaalsContact CB-OE2 3.28Å; D157-E163 WeakPolarHBondContact CB-OE2 3.25Å; D157-E163 PolarHBondContact N-OE2 2.95Å |
| 164 | A | 91.3 | Very high | 88.5 | Confident | 42 Ų | 42 | 61.4 Ų | 61.4 | 35% | 0.347 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V130 V131 T166 | V130-A164 CarbonylContact O-C 3.44Å; V130-A164 VanDerWaalsContact O-CA 3.3Å; V130-A164 WeakPolarHBondContact O-CA 3.3Å; V131-A164 HydrophobicContact CG2-CB 4.13Å; A164-T166 PolarHBondContact O-N 2.67Å |
| 165 | A | 94.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 107.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | V130 V141 A153 A155 | V130-A165 PolarHBondContact N-O 2.74Å; V130-A165 PolarHBondContact O-N 2.92Å; V141-A165 HydrophobicContact CB-CB 4.33Å; V141-A165 HydrophobicContact CG2-CB 4.13Å; A153-A165 HydrophobicContact CB-CB 3.88Å; A155-A165 HydrophobicContact CB-CB 4.2Å |
| 166 | T | 96.8 | Very high | 88.9 | Confident | 67 Ų | 67 | 62.5 Ų | 62.5 | 41% | 0.411 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 133.9 | -174 | -62 | 0 | 0 | 0 | 0 | 111.2 | F128 H129 A153 A164 | F128-T166 WeakPolarHBondContact O-CA 3.31Å; H129-T166 WeakPolarHBondContact CE1-CG2 3.31Å; H129-T166 WeakPolarHBondContact ND1-CG2 2.9Å; H129-T166 PolarHBondContact ND1-OG1 2.86Å; A153-T166 WeakPolarHBondContact CB-O 3.14Å; A164-T166 PolarHBondContact O-N 2.67Å |
| 167 | S | 98 | Very high | 89.5 | Confident | 32 Ų | 32 | 59.3 Ų | 59.3 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 168.5 | 168 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | F128 I151 | F128-S167 PolarHBondContact N-O 2.87Å; F128-S167 PolarHBondContact O-N 3.12Å; I151-S167 WeakPolarHBondContact CD1-OG 3.31Å |
| 168 | S | 97.5 | Very high | 90.3 | Very high | 60 Ų | 60 | 62.3 Ų | 62.3 | 42% | 0.42 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 152.7 | 178.1 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | F126 | F126-S168 CarbonylContact O-C 3.56Å; F126-S168 WeakPolarHBondContact O-CA 3.23Å; F126-S168 WeakPolarHBondContact O-CB 3.4Å |
| 169 | V | 98.3 | Very high | 91.8 | Very high | 29 Ų | 29 | 57.9 Ų | 57.9 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 151 | -178.6 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | F126 L143 V150 I151 L171 | F126-V169 HydrophobicContact CB-CG1 4.42Å; F126-V169 PolarHBondContact N-O 2.92Å; F126-V169 PolarHBondContact O-N 3.44Å; L143-V169 HydrophobicContact CD1-CG1 4.23Å; L143-V169 HydrophobicContact CD2-CG1 4.28Å; V150-V169 HydrophobicContact CG1-CG2 4.34Å; I151-V169 HydrophobicContact CD1-CB 3.75Å; I151-V169 HydrophobicContact CD1-CG1 3.65Å; I151-V169 HydrophobicContact CG1-CB 4.28Å; I151-V169 HydrophobicContact CG1-CG1 4.02Å; I151-V169 HydrophobicContact CG2-CB 4.06Å; I151-V169 HydrophobicContact CG2-CG2 4.12Å; V169-L171 HydrophobicContact CG1-CD1 3.9Å; V169-L171 HydrophobicContact CG1-CG 3.94Å; V169-L171 HydrophobicContact CG2-CD2 4.13Å; V169-L171 HydrophobicContact CG2-CG 4.05Å |
| 170 | L | 97.9 | Very high | 93.1 | Very high | 97 Ų | 97 | 53.1 Ų | 53.1 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.4 | 165.2 | -59.1 | -173.7 | 0 | 0 | 0 | 109.5 | V123 Y124 I202 | V123-L170 HydrophobicContact CG1-CB 4.43Å; Y124-L170 CarbonylContact O-C 3.59Å; Y124-L170 VanDerWaalsContact O-CA 3.28Å; Y124-L170 WeakPolarHBondContact O-CA 3.38Å; L170-I202 HydrophobicContact CD1-CD1 4.09Å; L170-I202 HydrophobicContact CD2-CD1 3.47Å; L170-I202 VanDerWaalsContact CD2-CD1 3.47Å; L170-I202 HydrophobicContact CG-CD1 4.36Å |
| 171 | L | 96.9 | Very high | 94.6 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.8 | -177.1 | -74.1 | 176.1 | 0 | 0 | 0 | 111.5 | Y124 F126 L143 V150 V169 L173 | Y124-L171 PolarHBondContact N-O 3.21Å; Y124-L171 PolarHBondContact O-N 2.87Å; F126-L171 HydrophobicContact CD2-CD1 4.33Å; F126-L171 HydrophobicContact CE2-CB 4.36Å; L143-L171 HydrophobicContact CD2-CD1 3.87Å; V150-L171 HydrophobicContact CB-CD1 4.5Å; V150-L171 HydrophobicContact CG1-CD1 4.12Å; V150-L171 HydrophobicContact CG1-CD2 3.79Å; V150-L171 HydrophobicContact CG1-CG 4.42Å; V150-L171 HydrophobicContact CG2-CD1 4.17Å; V169-L171 HydrophobicContact CG1-CD1 3.9Å; V169-L171 HydrophobicContact CG1-CG 3.94Å; V169-L171 HydrophobicContact CG2-CD2 4.13Å; V169-L171 HydrophobicContact CG2-CG 4.05Å; L171-L173 HydrophobicContact CB-CD2 4.18Å; L171-L173 HydrophobicContact CB-CG 4.47Å |
| 172 | P | 97.8 | Very high | 95.6 | Very high | 88 Ų | 88 | 51.9 Ų | 51.9 | 57% | 0.571 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 131.3 | 161.6 | 30.8 | -31.3 | 0 | 0 | 0 | 108.6 | G122 | G122-P172 WeakPolarHBondContact O-CA 3.31Å |
| 173 | L | 98.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.2 | 176.9 | -59 | -178.4 | 0 | 0 | 0 | 110.2 | F116 A118 R121 G122 Y124 F126 L145 L171 D177 V179 | F116-L173 HydrophobicContact CD1-CD1 4.47Å; F116-L173 HydrophobicContact CE1-CD1 4.12Å; A118-L173 HydrophobicContact CB-CB 3.83Å; A118-L173 HydrophobicContact CB-CD1 3.99Å; R121-L173 WeakPolarHBondContact CA-O 3.27Å; G122-L173 PolarHBondContact N-O 2.76Å; G122-L173 VanDerWaalsContact N-O 3.11Å; G122-L173 PolarHBondContact O-N 3.17Å; Y124-L173 HydrophobicContact CD2-CB 3.76Å; Y124-L173 HydrophobicContact CD2-CD1 3.66Å; Y124-L173 HydrophobicContact CD2-CG 3.77Å; Y124-L173 HydrophobicContact CE2-CB 3.85Å; Y124-L173 HydrophobicContact CE2-CD1 4.16Å; Y124-L173 HydrophobicContact CE2-CG 4.33Å; Y124-L173 HydrophobicContact CG-CD1 3.91Å; Y124-L173 HydrophobicContact CG-CG 4.41Å; F126-L173 HydrophobicContact CE2-CD1 3.76Å; F126-L173 HydrophobicContact CZ-CD1 3.62Å; L145-L173 HydrophobicContact CD1-CD2 3.47Å; L145-L173 VanDerWaalsContact CD1-CD2 3.47Å; L145-L173 HydrophobicContact CD2-CD2 4.2Å; L145-L173 HydrophobicContact CG-CD2 4.48Å; L171-L173 HydrophobicContact CB-CD2 4.18Å; L171-L173 HydrophobicContact CB-CG 4.47Å; L173-D177 HydrophobicContact CB-CB 4.25Å; L173-D177 HydrophobicContact CD2-CB 4.13Å; L173-V179 HydrophobicContact CD1-CG2 3.82Å; L173-V179 HydrophobicContact CD2-CG2 4.12Å |
| 174 | D | 97.9 | Very high | 96.1 | Very high | 85 Ų | 85 | 49.6 Ų | 49.6 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | trans | -93.3 | 155.4 | 167.5 | -71.7 | -48.7 | 0 | 0 | 0 | 110.5 | R121 G176 D177 | R121-D174 WeakPolarHBondContact CD-OD1 3.45Å; R121-D174 WeakPolarHBondContact CG-OD1 3.45Å; R121-D174 IonicContact CZ-OD1 3.4Å; R121-D174 IonicContact NE-OD1 2.75Å; R121-D174 PolarHBondContact NE-OD1 3.44Å; D174-G176 PolarHBondContact O-N 2.87Å; D174-D177 PolarHBondContact N-OD2 3.29Å; D174-D177 WeakPolarHBondContact O-CB 3.26Å; D174-D177 PolarHBondContact O-N 2.86Å | ||
| 175 | P | 96.9 | Very high | 96 | Very high | 83 Ų | 83 | 54.9 Ų | 54.9 | 54% | 0.539 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 128.3 | 178.2 | -23.6 | 33 | 0 | 0 | 0 | 111.5 | A118 R121 | A118-P175 WeakPolarHBondContact O-CA 3.34Å; R121-P175 HydrophobicContact CB-CG 4.24Å |
| 176 | G | 96.8 | Very high | 95.6 | Very high | 51 Ų | 51 | 55.9 Ų | 55.9 | 53% | 0.526 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -10.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A118 D174 R178 | A118-G176 PolarHBondContact O-N 2.86Å; D174-G176 PolarHBondContact O-N 2.87Å; G176-R178 PolarHBondContact O-N 3.23Å |
| 177 | D | 98.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 53.5 Ų | 53.5 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | trans | -60.7 | 136.9 | 171.3 | -87.1 | -31 | 0 | 0 | 0 | 111.1 | V117 A118 L145 N146 L173 D174 | V117-D177 WeakPolarHBondContact CA-O 3.4Å; A118-D177 PolarHBondContact N-O 2.87Å; L145-D177 HydrophobicContact CD1-CB 3.94Å; N146-D177 PolarHBondContact ND2-OD1 3.3Å; L173-D177 HydrophobicContact CB-CB 4.25Å; L173-D177 HydrophobicContact CD2-CB 4.13Å; D174-D177 PolarHBondContact N-OD2 3.29Å; D174-D177 WeakPolarHBondContact O-CB 3.26Å; D174-D177 PolarHBondContact O-N 2.86Å | ||
| 178 | R | 97.6 | Very high | 94.4 | Very high | 105 Ų | 105 | 52 Ų | 52 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.9 | -176.6 | -172.9 | 178.2 | -61.4 | -85.9 | -3.3 | 111.6 | S115 F116 V117 L145 N146 G176 | S115-R178 PolarHBondContact OG-NH1 2.83Å; F116-R178 CarbonylContact O-C 3.55Å; F116-R178 VanDerWaalsContact O-CA 3.27Å; F116-R178 WeakPolarHBondContact O-CA 3.29Å; V117-R178 HydrophobicContact CG2-CG 4.46Å; L145-R178 CarbonylContact C-O 3.55Å; N146-R178 PolarHBondContact N-O 2.88Å; N146-R178 PolarHBondContact OD1-N 2.9Å; G176-R178 PolarHBondContact O-N 3.23Å |
| 179 | V | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.7 | 173 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | S115 F116 F126 L143 M144 L145 L173 F197 | S115-V179 CarbonylContact C-O 3.53Å; S115-V179 WeakPolarHBondContact CA-O 3.27Å; F116-V179 HydrophobicContact CB-CB 4.43Å; F116-V179 HydrophobicContact CD1-CB 4.47Å; F116-V179 PolarHBondContact N-O 3.16Å; F116-V179 PolarHBondContact O-N 3.29Å; F126-V179 HydrophobicContact CD1-CG1 4.08Å; F126-V179 HydrophobicContact CE1-CB 4.02Å; F126-V179 HydrophobicContact CE1-CG1 3.97Å; F126-V179 HydrophobicContact CE1-CG2 4.2Å; F126-V179 HydrophobicContact CE2-CG1 4.43Å; F126-V179 HydrophobicContact CE2-CG2 3.99Å; F126-V179 HydrophobicContact CG-CG1 4.35Å; F126-V179 HydrophobicContact CZ-CB 4.03Å; F126-V179 HydrophobicContact CZ-CG1 4.17Å; F126-V179 HydrophobicContact CZ-CG2 3.68Å; L143-V179 HydrophobicContact CD1-CG1 3.97Å; L143-V179 HydrophobicContact CD2-CG1 3.71Å; L143-V179 HydrophobicContact CG-CG1 3.77Å; M144-V179 VanDerWaalsContact O-CA 3.29Å; M144-V179 WeakPolarHBondContact O-CA 3.45Å; L145-V179 HydrophobicContact CD1-CG2 4.09Å; L173-V179 HydrophobicContact CD1-CG2 3.82Å; L173-V179 HydrophobicContact CD2-CG2 4.12Å; V179-F197 HydrophobicContact CG1-CZ 4.1Å |
| 180 | S | 96.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 164.6 | 179 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | M144 | M144-S180 PolarHBondContact N-O 2.74Å; M144-S180 PolarHBondContact O-N 3.32Å |
| 181 | L | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.5 | 171.7 | -58.4 | -178 | 0 | 0 | 0 | 109.7 | A95 I96 F98 F128 V130 V141 S142 L143 F197 | A95-L181 CarbonylContact C-O 3.59Å; A95-L181 VanDerWaalsContact CA-O 3.27Å; A95-L181 WeakPolarHBondContact CA-O 3.33Å; I96-L181 HydrophobicContact CB-CB 4.16Å; I96-L181 HydrophobicContact CD1-CB 4.23Å; I96-L181 HydrophobicContact CG1-CB 4.44Å; I96-L181 PolarHBondContact N-O 3.15Å; F98-L181 HydrophobicContact CE2-CD1 4.14Å; F98-L181 HydrophobicContact CZ-CD1 3.86Å; F128-L181 HydrophobicContact CB-CD1 3.52Å; F128-L181 HydrophobicContact CB-CD2 4.02Å; F128-L181 HydrophobicContact CB-CG 4.4Å; F128-L181 HydrophobicContact CD1-CD2 3.62Å; F128-L181 HydrophobicContact CD2-CD1 4.23Å; F128-L181 HydrophobicContact CD2-CD2 4.39Å; F128-L181 HydrophobicContact CE1-CD2 4.13Å; F128-L181 HydrophobicContact CG-CD1 3.89Å; F128-L181 HydrophobicContact CG-CD2 3.76Å; V130-L181 HydrophobicContact CG2-CD1 4.15Å; V141-L181 HydrophobicContact CG1-CB 4.21Å; S142-L181 WeakPolarHBondContact O-CA 3.34Å; L143-L181 HydrophobicContact CB-CD2 3.93Å; L143-L181 HydrophobicContact CD1-CD2 4.31Å; L143-L181 HydrophobicContact CG-CD2 4.22Å; L181-F197 HydrophobicContact CD1-CB 3.98Å; L181-F197 HydrophobicContact CD1-CD1 4.29Å; L181-F197 HydrophobicContact CD1-CD2 4.07Å; L181-F197 HydrophobicContact CD1-CG 3.87Å; L181-F197 HydrophobicContact CD2-CD2 4.36Å; L181-F197 HydrophobicContact CD2-CE2 4.23Å; L181-F197 HydrophobicContact CG-CD1 4.21Å; L181-F197 HydrophobicContact CG-CD2 4.22Å; L181-F197 HydrophobicContact CG-CE1 4.36Å; L181-F197 HydrophobicContact CG-CE2 4.37Å; L181-F197 HydrophobicContact CG-CG 4.16Å; L181-F197 HydrophobicContact CG-CZ 4.44Å |
| 182 | R | 93.1 | Very high | 91.6 | Very high | 88 Ų | 88 | 47.1 Ų | 47.1 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 140.1 | 174.3 | -75.1 | -169.5 | -178.2 | -176 | -4.7 | 111.6 | V141 S142 M144 R184 | V141-R182 WeakPolarHBondContact CA-O 3.44Å; S142-R182 PolarHBondContact N-O 2.96Å; S142-R182 PolarHBondContact O-N 3.21Å; M144-R182 HydrophobicContact CG-CB 3.74Å; M144-R182 HydrophobicContact CG-CG 3.62Å; M144-R182 HydrophobicContact SD-CB 4.14Å; M144-R182 HydrophobicContact SD-CG 4.47Å; R182-R184 PolarHBondContact O-N 2.68Å |
| 183 | L | 91.2 | Very high | 91.2 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 111.1 | 169.4 | -171.1 | 66.8 | 0 | 0 | 0 | 108.8 | I96 V139 V141 R185 G186 L188 | I96-L183 HydrophobicContact CD1-CB 4.46Å; I96-L183 HydrophobicContact CG1-CB 4.45Å; V139-L183 HydrophobicContact CB-CD1 4.49Å; V139-L183 HydrophobicContact CG1-CD1 3.56Å; V141-L183 HydrophobicContact CG2-CD1 4.22Å; L183-R185 WeakPolarHBondContact CD1-O 3.47Å; L183-G186 WeakPolarHBondContact CD2-O 3.24Å; L183-L188 HydrophobicContact CD1-CG 4.31Å; L183-L188 HydrophobicContact CD2-CG 4.06Å |
| 184 | R | 89.9 | Confident | 90.9 | Very high | 134 Ų | 134 | 51.5 Ų | 51.5 | 51% | 0.506 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -27.8 | -178 | -70.1 | -63.2 | -62.3 | -83.3 | -0.7 | 113.2 | Q140 S142 R182 | Q140-R184 HydrophobicContact CB-CB 4.38Å; Q140-R184 HydrophobicContact CG-CB 4.13Å; Q140-R184 PolarHBondContact O-N 2.98Å; S142-R184 VanDerWaalsContact OG-CG 3.24Å; S142-R184 WeakPolarHBondContact OG-CG 3.26Å; R182-R184 PolarHBondContact O-N 2.68Å |
| 185 | R | 87.9 | Confident | 90.8 | Very high | 153 Ų | 153 | 47.4 Ų | 47.4 | 58% | 0.577 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 144.8 | 179.4 | -171.9 | 178 | 171.1 | -179.3 | -3.5 | 109.7 | V139 Q140 L183 | V139-R185 WeakPolarHBondContact CA-O 3.27Å; Q140-R185 HydrophobicContact CB-CB 3.72Å; Q140-R185 PolarHBondContact N-O 3.4Å; L183-R185 WeakPolarHBondContact CD1-O 3.47Å |
| 186 | G | 87 | Confident | 90.8 | Very high | 21 Ų | 21 | 45 Ų | 45 | 22% | 0.216 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 83.2 | -165.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | T138 L183 | T138-G186 WeakPolarHBondContact O-CA 3.18Å; L183-G186 WeakPolarHBondContact CD2-O 3.24Å |
| 187 | N | 85 | Confident | 90.8 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | trans | -136.4 | 164.7 | 175 | 61.9 | 57.9 | 0 | 0 | 0 | 110 | G89 N135 Q137 V139 L189 | G89-N187 VanDerWaalsContact O-CB 3.27Å; G89-N187 WeakPolarHBondContact O-CB 3.47Å; N135-N187 PolarHBondContact ND2-O 2.77Å; N135-N187 PolarHBondContact ND2-OD1 2.92Å; Q137-N187 PolarHBondContact OE1-ND2 2.84Å; V139-N187 VanDerWaalsContact CG2-O 3.31Å; V139-N187 WeakPolarHBondContact CG2-O 3.22Å; N187-L189 HydrophobicContact CB-CD1 4.34Å; N187-L189 HydrophobicContact CB-CG 3.97Å; N187-L189 VanDerWaalsContact CG-CG 3.49Å; N187-L189 VanDerWaalsContact OD1-CB 3.3Å; N187-L189 WeakPolarHBondContact OD1-CB 3.41Å; N187-L189 VanDerWaalsContact OD1-CG 3.25Å; N187-L189 WeakPolarHBondContact OD1-CG 3.39Å; N187-L189 PolarHBondContact OD1-N 2.93Å | ||
| 188 | L | 84.1 | Confident | 90.8 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -109.1 | 35.2 | 172.1 | -62.9 | 171.5 | 0 | 0 | 0 | 110.8 | I96 V130 K132 V139 L183 G191 W192 | I96-L188 HydrophobicContact CD1-CD1 4.17Å; I96-L188 HydrophobicContact CG1-CD1 4.3Å; I96-L188 HydrophobicContact CG2-CD1 4.41Å; V130-L188 HydrophobicContact CG1-CD1 4.14Å; V130-L188 HydrophobicContact CG1-CD2 4.01Å; K132-L188 HydrophobicContact CB-CD2 4.48Å; V139-L188 HydrophobicContact CG1-CD2 4.2Å; V139-L188 HydrophobicContact CG2-CD2 4.27Å; L183-L188 HydrophobicContact CD1-CG 4.31Å; L183-L188 HydrophobicContact CD2-CG 4.06Å; L188-G191 PolarHBondContact O-N 2.87Å; L188-G191 VanDerWaalsContact O-N 3.13Å; L188-W192 HydrophobicContact CB-CB 4.45Å; L188-W192 HydrophobicContact CB-CD2 4.23Å; L188-W192 HydrophobicContact CB-CE3 3.5Å; L188-W192 VanDerWaalsContact CB-CE3 3.5Å; L188-W192 HydrophobicContact CB-CZ3 4.07Å; L188-W192 HydrophobicContact CD1-CB 4.15Å; L188-W192 HydrophobicContact CD1-CD2 3.91Å; L188-W192 HydrophobicContact CD1-CE3 3.98Å; L188-W192 HydrophobicContact CD1-CG 3.99Å; L188-W192 HydrophobicContact CD2-CB 4.32Å; L188-W192 HydrophobicContact CG-CE3 4.37Å | ||
| 189 | L | 79.9 | Confident | 90.8 | Very high | 76 Ų | 76 | 38 Ų | 38 | 40% | 0.398 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 141 | 170.3 | -59 | 173.6 | 0 | 0 | 0 | 108.8 | E83 G89 N135 N187 G191 | E83-L189 WeakPolarHBondContact OE2-CA 3.3Å; G89-L189 WeakPolarHBondContact O-CD2 3.42Å; N135-L189 PolarHBondContact ND2-O 2.64Å; N135-L189 VanDerWaalsContact ND2-O 3.17Å; N187-L189 HydrophobicContact CB-CD1 4.34Å; N187-L189 HydrophobicContact CB-CG 3.97Å; N187-L189 VanDerWaalsContact CG-CG 3.49Å; N187-L189 VanDerWaalsContact OD1-CB 3.3Å; N187-L189 WeakPolarHBondContact OD1-CB 3.41Å; N187-L189 VanDerWaalsContact OD1-CG 3.25Å; N187-L189 WeakPolarHBondContact OD1-CG 3.39Å; N187-L189 PolarHBondContact OD1-N 2.93Å; L189-G191 VanDerWaalsContact C-N 3.35Å |
| 190 | G | 79.3 | Confident | 90.8 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 25% | 0.247 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -6.3 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E83 | E83-G190 WeakPolarHBondContact OE1-CA 3.37Å; E83-G190 PolarHBondContact OE1-N 2.82Å; E83-G190 PolarHBondContact OE2-N 2.92Å |
| 191 | G | 83.1 | Confident | 90.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | 78.4 | 161.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | E83 L188 L189 | E83-G191 PolarHBondContact OE1-N 2.55Å; L188-G191 PolarHBondContact O-N 2.87Å; L188-G191 VanDerWaalsContact O-N 3.13Å; L189-G191 VanDerWaalsContact C-N 3.35Å | ||
| 192 | W | 89.6 | Confident | 90.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -122.1 | 38.4 | -178.7 | 61.4 | 100.4 | 0 | 0 | 0 | 112.6 | R78 P84 Y97 V131 L188 S195 | R78-W192 WeakPolarHBondContact CB-O 3.34Å; R78-W192 VanDerWaalsContact CD-NE1 3.33Å; R78-W192 HydrophobicContact CG-CD2 4.43Å; R78-W192 HydrophobicContact CG-CG 4.05Å; R78-W192 VanDerWaalsContact CG-O 3.31Å; R78-W192 WeakPolarHBondContact CG-O 3.29Å; P84-W192 HydrophobicContact CB-CH2 3.79Å; P84-W192 HydrophobicContact CB-CZ3 4.08Å; P84-W192 HydrophobicContact CG-CH2 4.05Å; P84-W192 HydrophobicContact CG-CZ3 3.79Å; Y97-W192 HydrophobicContact CD1-CH2 4.18Å; Y97-W192 AromaticContact CD1-CZ2 3.72Å; Y97-W192 HydrophobicContact CD1-CZ2 3.72Å; Y97-W192 AromaticContact CE1-CH2 3.45Å; Y97-W192 HydrophobicContact CE1-CH2 3.45Å; Y97-W192 VanDerWaalsContact CE1-CH2 3.45Å; Y97-W192 AromaticContact CE1-CZ2 3.35Å; Y97-W192 HydrophobicContact CE1-CZ2 3.35Å; Y97-W192 HydrophobicContact CE2-CZ2 4.47Å; Y97-W192 HydrophobicContact CG-CZ2 4.39Å; Y97-W192 AromaticContact CZ-CH2 3.9Å; Y97-W192 AromaticContact CZ-CZ2 3.74Å; Y97-W192 PolarHBondContact O-NE1 3.22Å; V131-W192 WeakPolarHBondContact O-CA 3.44Å; V131-W192 WeakPolarHBondContact O-CB 3.29Å; L188-W192 HydrophobicContact CB-CB 4.45Å; L188-W192 HydrophobicContact CB-CD2 4.23Å; L188-W192 HydrophobicContact CB-CE3 3.5Å; L188-W192 VanDerWaalsContact CB-CE3 3.5Å; L188-W192 HydrophobicContact CB-CZ3 4.07Å; L188-W192 HydrophobicContact CD1-CB 4.15Å; L188-W192 HydrophobicContact CD1-CD2 3.91Å; L188-W192 HydrophobicContact CD1-CE3 3.98Å; L188-W192 HydrophobicContact CD1-CG 3.99Å; L188-W192 HydrophobicContact CD2-CB 4.32Å; L188-W192 HydrophobicContact CG-CE3 4.37Å; W192-S195 VanDerWaalsContact O-CB 3.22Å; W192-S195 WeakPolarHBondContact O-CB 3.33Å; W192-S195 PolarHBondContact O-N 2.82Å; W192-S195 VanDerWaalsContact O-N 3.16Å; W192-S195 PolarHBondContact O-OG 2.88Å | ||
| 193 | K | 90.1 | Very high | 90.7 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 24% | 0.243 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 147 | 175.2 | -170.9 | 179.5 | 177.7 | -180 | 0 | 110.2 | S79 H81 S195 | S79-K193 WeakPolarHBondContact O-CE 3.43Å; H81-K193 WeakPolarHBondContact CD2-CD 3.4Å; H81-K193 VanDerWaalsContact NE2-CD 3.31Å; H81-K193 WeakPolarHBondContact NE2-CD 3.44Å; K193-S195 PolarHBondContact O-N 2.97Å |
| 194 | Y | 91.8 | Very high | 90.8 | Very high | 128 Ų | 128 | 46.3 Ų | 46.3 | 50% | 0.502 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 1.3 | -175.4 | -46 | -71.8 | 0 | 0 | 0 | 114.6 | R78 | R78-Y194 PolarHBondContact O-N 2.81Š|
| 195 | S | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -66.3 | 144.6 | 168.2 | -58 | 0 | 0 | 0 | 0 | 110.9 | V77 R78 H129 V130 V131 W192 K193 | V77-S195 CarbonylContact C-O 3.43Å; V77-S195 VanDerWaalsContact CA-O 3.28Å; V77-S195 WeakPolarHBondContact CA-O 3.24Å; R78-S195 PolarHBondContact N-O 2.97Å; H129-S195 CarbonylContact O-C 3.52Å; H129-S195 WeakPolarHBondContact O-CA 3.33Å; H129-S195 WeakPolarHBondContact O-CB 3.06Å; V130-S195 WeakPolarHBondContact CA-OG 3.22Å; V131-S195 PolarHBondContact N-OG 3.39Å; W192-S195 VanDerWaalsContact O-CB 3.22Å; W192-S195 WeakPolarHBondContact O-CB 3.33Å; W192-S195 PolarHBondContact O-N 2.82Å; W192-S195 VanDerWaalsContact O-N 3.16Å; W192-S195 PolarHBondContact O-OG 2.88Å; K193-S195 PolarHBondContact O-N 2.97Å | ||
| 196 | S | 96.9 | Very high | 90.9 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 22% | 0.217 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143.9 | 178.7 | 63 | 0 | 0 | 0 | 0 | 111.2 | A76 F128 H129 | A76-S196 CarbonylContact O-C 3.41Å; A76-S196 WeakPolarHBondContact O-CA 3.38Å; F128-S196 CarbonylContact C-O 3.51Å; F128-S196 WeakPolarHBondContact CA-O 3.28Å; H129-S196 PolarHBondContact CD2-OG 3.05Å; H129-S196 PolarHBondContact N-O 3Å; H129-S196 PolarHBondContact O-N 2.87Å |
| 197 | F | 98 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 125.6 | 170.9 | 178.3 | -145.2 | 0 | 0 | 0 | 109.2 | F74 A76 F98 F109 F126 F128 L143 V179 L181 | F74-F197 AromaticContact CE2-CD1 3.71Å; F74-F197 HydrophobicContact CE2-CD1 3.71Å; F74-F197 HydrophobicContact CE2-CD2 4.23Å; F74-F197 AromaticContact CE2-CE1 3.75Å; F74-F197 HydrophobicContact CE2-CE1 3.75Å; F74-F197 HydrophobicContact CE2-CE2 4.27Å; F74-F197 AromaticContact CE2-CG 3.95Å; F74-F197 HydrophobicContact CE2-CG 3.95Å; F74-F197 HydrophobicContact CE2-CZ 4.03Å; F74-F197 HydrophobicContact CZ-CD1 4.16Å; F74-F197 HydrophobicContact CZ-CD2 4.21Å; F74-F197 AromaticContact CZ-CE1 3.78Å; F74-F197 HydrophobicContact CZ-CE1 3.78Å; F74-F197 AromaticContact CZ-CE2 3.83Å; F74-F197 HydrophobicContact CZ-CE2 3.83Å; F74-F197 HydrophobicContact CZ-CG 4.36Å; F74-F197 AromaticContact CZ-CZ 3.6Å; F74-F197 HydrophobicContact CZ-CZ 3.6Å; A76-F197 PolarHBondContact N-O 2.67Å; A76-F197 PolarHBondContact O-N 2.86Å; F98-F197 HydrophobicContact CD2-CB 4.22Å; F98-F197 HydrophobicContact CD2-CD1 4.49Å; F98-F197 HydrophobicContact CE1-CB 3.9Å; F98-F197 HydrophobicContact CE2-CB 3.55Å; F98-F197 AromaticContact CE2-CD1 3.98Å; F98-F197 HydrophobicContact CE2-CD1 3.98Å; F98-F197 HydrophobicContact CE2-CG 4.19Å; F98-F197 HydrophobicContact CZ-CB 3.38Å; F98-F197 HydrophobicContact CZ-CG 4.37Å; F109-F197 AromaticContact CE2-CD1 3.87Å; F109-F197 HydrophobicContact CE2-CD1 3.87Å; F109-F197 HydrophobicContact CE2-CE1 4Å; F126-F197 HydrophobicContact CD1-CE2 4.06Å; F126-F197 HydrophobicContact CD1-CZ 4.21Å; F128-F197 HydrophobicContact CB-CD2 4Å; L143-F197 HydrophobicContact CD1-CE2 4.3Å; V179-F197 HydrophobicContact CG1-CZ 4.1Å; L181-F197 HydrophobicContact CD1-CB 3.98Å; L181-F197 HydrophobicContact CD1-CD1 4.29Å; L181-F197 HydrophobicContact CD1-CD2 4.07Å; L181-F197 HydrophobicContact CD1-CG 3.87Å; L181-F197 HydrophobicContact CD2-CD2 4.36Å; L181-F197 HydrophobicContact CD2-CE2 4.23Å; L181-F197 HydrophobicContact CG-CD1 4.21Å; L181-F197 HydrophobicContact CG-CD2 4.22Å; L181-F197 HydrophobicContact CG-CE1 4.36Å; L181-F197 HydrophobicContact CG-CE2 4.37Å; L181-F197 HydrophobicContact CG-CG 4.16Å; L181-F197 HydrophobicContact CG-CZ 4.44Å |
| 198 | S | 98.4 | Very high | 91.5 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 154.5 | -176.4 | 57.7 | 0 | 0 | 0 | 0 | 111.2 | F74 R127 | F74-S198 CarbonylContact O-C 3.5Å; F74-S198 VanDerWaalsContact O-CA 3.23Å; F74-S198 WeakPolarHBondContact O-CA 3.36Å; F74-S198 WeakPolarHBondContact O-CB 3.38Å; R127-S198 PolarHBondContact N-O 2.8Å; R127-S198 PolarHBondContact O-N 2.88Å; R127-S198 VanDerWaalsContact O-O 3.1Å |
| 199 | G | 97.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 163.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A73 F74 S125 | A73-G199 CarbonylContact C-O 3.54Å; A73-G199 WeakPolarHBondContact CA-O 3.41Å; F74-G199 WeakPolarHBondContact CD1-O 3.18Å; F74-G199 VanDerWaalsContact CE1-N 3.29Å; F74-G199 PolarHBondContact N-O 3.21Å; F74-G199 PolarHBondContact O-N 2.94Å; S125-G199 CarbonylContact O-C 3.57Å; S125-G199 WeakPolarHBondContact O-CA 3.4Å |
| 200 | F | 97.3 | Very high | 92.7 | Very high | 69 Ų | 69 | 43.8 Ų | 43.8 | 30% | 0.303 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 154.8 | -177.7 | 60.5 | -86.4 | 0 | 0 | 0 | 111.5 | L46 V72 A73 Y124 S125 I202 | L46-F200 HydrophobicContact CB-CE2 4.3Å; L46-F200 HydrophobicContact CB-CZ 4.14Å; L46-F200 HydrophobicContact CD1-CE2 4.13Å; L46-F200 HydrophobicContact CD1-CZ 3.71Å; V72-F200 CarbonylContact O-C 3.43Å; V72-F200 VanDerWaalsContact O-CA 3.26Å; V72-F200 WeakPolarHBondContact O-CA 3.43Å; V72-F200 WeakPolarHBondContact O-CB 3.38Å; A73-F200 HydrophobicContact CB-CB 3.83Å; Y124-F200 CarbonylContact C-O 3.51Å; Y124-F200 VanDerWaalsContact CA-O 3.31Å; Y124-F200 WeakPolarHBondContact CA-O 3.46Å; S125-F200 PolarHBondContact N-O 2.95Å; S125-F200 PolarHBondContact O-N 3.17Å; F200-I202 HydrophobicContact CD2-CG1 4.45Å; F200-I202 HydrophobicContact CE2-CG1 4.06Å |
| 201 | L | 96.2 | Very high | 93.6 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125.3 | 171.9 | 176 | 63.6 | 0 | 0 | 0 | 109.2 | G70 V72 V120 Y124 F203 | G70-L201 WeakPolarHBondContact O-CD2 3.42Å; V72-L201 HydrophobicContact CB-CB 3.82Å; V72-L201 HydrophobicContact CB-CD2 4.48Å; V72-L201 HydrophobicContact CG2-CB 4.33Å; V72-L201 HydrophobicContact CG2-CD2 4.08Å; V72-L201 PolarHBondContact O-N 2.84Å; V120-L201 HydrophobicContact CG2-CD2 3.65Å; Y124-L201 HydrophobicContact CD1-CB 4.01Å; Y124-L201 HydrophobicContact CD1-CD1 4.38Å; Y124-L201 HydrophobicContact CD2-CD1 4.23Å; Y124-L201 HydrophobicContact CE1-CB 3.7Å; Y124-L201 HydrophobicContact CE1-CD1 4.01Å; Y124-L201 HydrophobicContact CE1-CG 4.4Å; Y124-L201 HydrophobicContact CE2-CD1 3.86Å; Y124-L201 HydrophobicContact CG-CD1 4.48Å; L201-F203 VanDerWaalsContact CD1-O 3.28Å; L201-F203 WeakPolarHBondContact CD1-O 3.31Å |
| 202 | I | 95.4 | Very high | 94.3 | Very high | 23 Ų | 23 | 48.3 Ų | 48.3 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -53.8 | 173.3 | -56.9 | 178.1 | 0 | 0 | 0 | 109.2 | L46 V123 L170 F200 | L46-I202 HydrophobicContact CD1-CD1 4.14Å; L46-I202 HydrophobicContact CD2-CD1 4.17Å; L46-I202 HydrophobicContact CD2-CG1 4.42Å; L46-I202 HydrophobicContact CD2-CG2 3.91Å; V123-I202 HydrophobicContact CG1-CD1 4.31Å; V123-I202 WeakPolarHBondContact O-CB 3.4Å; V123-I202 PolarHBondContact O-N 3.45Å; L170-I202 HydrophobicContact CD1-CD1 4.09Å; L170-I202 HydrophobicContact CD2-CD1 3.47Å; L170-I202 VanDerWaalsContact CD2-CD1 3.47Å; L170-I202 HydrophobicContact CG-CD1 4.36Å; F200-I202 HydrophobicContact CD2-CG1 4.45Å; F200-I202 HydrophobicContact CE2-CG1 4.06Å |
| 203 | F | 92.1 | Very high | 94.7 | Very high | 101 Ų | 101 | 52 Ų | 52 | 44% | 0.443 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 145 | 174.9 | 51.5 | -100.4 | 0 | 0 | 0 | 111.1 | G122 V123 L201 L205 | G122-F203 VanDerWaalsContact CA-O 3.3Å; G122-F203 WeakPolarHBondContact CA-O 3.4Å; V123-F203 HydrophobicContact CB-CD2 4.41Å; V123-F203 HydrophobicContact CB-CE1 4.36Å; V123-F203 HydrophobicContact CB-CE2 3.87Å; V123-F203 HydrophobicContact CB-CZ 3.83Å; V123-F203 HydrophobicContact CG1-CZ 4.44Å; V123-F203 HydrophobicContact CG2-CD2 4.28Å; V123-F203 HydrophobicContact CG2-CE2 3.43Å; V123-F203 VanDerWaalsContact CG2-CE2 3.43Å; V123-F203 HydrophobicContact CG2-CZ 3.6Å; V123-F203 PolarHBondContact N-O 3.41Å; L201-F203 VanDerWaalsContact CD1-O 3.28Å; L201-F203 WeakPolarHBondContact CD1-O 3.31Å; F203-L205 HydrophobicContact CD2-CD2 4.17Å; F203-L205 HydrophobicContact CD2-CG 4.46Å; F203-L205 HydrophobicContact CE2-CD2 3.9Å; F203-L205 HydrophobicContact CE2-CG 4.34Å |
| 204 | P | 93.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 54% | 0.539 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 157.6 | 172.8 | 30.5 | -34.4 | 0 | 0 | 0 | 112.1 | R121 | R121-P204 VanDerWaalsContact O-CA 3.29Å; R121-P204 WeakPolarHBondContact O-CA 3.28Å |
| 205 | L | 89.3 | Confident | 95.4 | Very high | 129 Ų | 129 | 44.7 Ų | 44.7 | 68% | 0.675 | 24% | 0.243 | S | C | * | . | trans | -125.2 | 0 | 179.2 | -74.1 | 177.6 | 0 | 0 | 0 | 112.8 | R121 V123 F203 | R121-L205 HydrophobicContact CG-CB 4.18Å; R121-L205 PolarHBondContact O-N 2.86Å; V123-L205 HydrophobicContact CG2-CD1 3.94Å; V123-L205 HydrophobicContact CG2-CG 4.42Å; F203-L205 HydrophobicContact CD2-CD2 4.17Å; F203-L205 HydrophobicContact CD2-CG 4.46Å; F203-L205 HydrophobicContact CE2-CD2 3.9Å; F203-L205 HydrophobicContact CE2-CG 4.34Å |
Retrieved 205 of 205 residues in 40.2 ms
(Link to these results)