| 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 | 36.4 | Very low | 33.7 | Very low | 225 Ų | 225 | 135.8 Ų | 135.8 | 100% | 1.108 | 81% | 0.81 | S | S | * | * | 0 | 140.4 | 0 | -67.5 | 156.5 | 75.3 | 0 | 0 | 107.3 | |||||
| 2 | S | 43.1 | Very low | 33.9 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | 45.7 | 101.5 | -180 | 49.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 3 | H | 37.6 | Very low | 33.7 | Very low | 151 Ų | 151 | 141 Ų | 141 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | cis | 55.4 | 132.4 | 43.8 | -45.2 | -75.6 | 0 | 0 | 0 | 113.2 | ||||
| 4 | H | 29.9 | Very low | 33.7 | Very low | 153 Ų | 153 | 147 Ų | 147 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | cis | -155.5 | 162 | -10.5 | -117.7 | -49.8 | 0 | 0 | 0 | 112.8 | ||||
| 5 | S | 33.2 | Very low | 33.5 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -25.8 | 136.2 | 165.2 | -37.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 6 | F | 33.9 | Very low | 33.5 | Very low | 214 Ų | 214 | 146.6 Ų | 146.6 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | trans | -125.8 | 135.7 | 146.1 | -95 | -86.7 | 0 | 0 | 0 | 109.6 | ||||
| 7 | G | 28.1 | Very low | 33.4 | Very low | 65 Ų | 65 | 143.9 Ų | 143.9 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | -125 | -178.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 8 | S | 31.6 | Very low | 33.9 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | trans | 72.9 | 111.3 | -171.6 | -158 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 9 | G | 32.8 | Very low | 33.8 | Very low | 73 Ų | 73 | 139.2 Ų | 139.2 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -160.5 | 129.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 10 | N | 30 | Very low | 33.7 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | trans | -66.7 | 136.2 | -174 | -73.6 | -38.2 | 0 | 0 | 0 | 113 | L12 | N10-L12 HydrophobicContact CB-CG 4.24Š| ||
| 11 | S | 34.5 | Very low | 33.7 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | trans | -132.4 | 81.9 | 159.9 | -165.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 12 | L | 35.3 | Very low | 33.6 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 61% | 0.613 | 71% | 0.714 | S | S | * | * | 60.5 | 75.1 | 77.8 | -59.8 | -176.5 | 0 | 0 | 0 | 113.5 | N10 | N10-L12 HydrophobicContact CB-CG 4.24Š| |||
| 13 | Y | 31.3 | Very low | 33 | Very low | 222 Ų | 222 | 130 Ų | 130 | 87% | 0.871 | 70% | 0.702 | S | S | * | * | trans | 40 | 104.9 | 140.9 | -44.3 | -60.1 | 0 | 0 | 0 | 117.8 | ||||
| 14 | R | 33.6 | Very low | 32.7 | Very low | 225 Ų | 225 | 125 Ų | 125 | 85% | 0.849 | 69% | 0.691 | S | S | * | * | trans | -135.1 | 103.1 | -179.4 | -170.5 | -177.1 | -164.2 | 176.4 | 8 | 112.1 | ||||
| 15 | L | 30.8 | Very low | 32.9 | Very low | 149 Ų | 149 | 122.8 Ų | 122.8 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | trans | 63.7 | 170.9 | 155.9 | -78.1 | 155.1 | 0 | 0 | 0 | 118.8 | ||||
| 16 | D | 33.3 | Very low | 32.7 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | trans | 68.1 | 120.9 | 172.4 | -60.5 | -50.4 | 0 | 0 | 0 | 117 | ||||
| 17 | S | 33 | Very low | 32.9 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | cis | 117.1 | 164.6 | 31.1 | -81.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 18 | V | 41.9 | Very low | 33.2 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 72% | 0.721 | 70% | 0.704 | S | S | * | * | trans | 80 | 84.4 | 173.5 | -166 | 0 | 0 | 0 | 0 | 117 | ||||
| 19 | F | 32.3 | Very low | 33.6 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 35% | 0.351 | 69% | 0.69 | S | S | . | * | 56.3 | 126.5 | 115.2 | -85.1 | -134 | 0 | 0 | 0 | 121.2 | Q53 A54 Q56 | F19-Q53 HydrophobicContact CZ-CB 3.77Å; F19-A54 VanDerWaalsContact CD2-O 3.31Å; F19-A54 WeakPolarHBondContact CD2-O 3.37Å; F19-A54 WeakPolarHBondContact CG-O 3.41Å; F19-Q56 VanDerWaalsContact C-N 3.3Å; F19-Q56 HydrophobicContact CB-CB 4.44Å; F19-Q56 HydrophobicContact CD1-CG 4.34Å | |||
| 20 | N | 31.5 | Very low | 34.1 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 50% | 0.503 | 70% | 0.695 | S | S | . | * | trans | -147.7 | 82.2 | 174 | -88.6 | -38.1 | 0 | 0 | 0 | 119.4 | S55 Q56 L57 | N20-S55 VanDerWaalsContact N-CA 3.3Å; N20-S55 PolarHBondContact N-OG 3.3Å; N20-Q56 VanDerWaalsContact CA-N 3.33Å; N20-L57 VanDerWaalsContact CA-CB 3.44Å; N20-L57 HydrophobicContact CB-CB 3.6Å; N20-L57 HydrophobicContact CB-CD1 3.98Å; N20-L57 HydrophobicContact CB-CG 4.33Å; N20-L57 WeakPolarHBondContact OD1-CB 3.46Å; N20-L57 WeakPolarHBondContact OD1-CD2 3.41Å | ||
| 21 | E | 32.6 | Very low | 34.4 | Very low | 70 Ų | 70 | 132.4 Ų | 132.4 | 33% | 0.327 | 70% | 0.7 | S | S | . | * | trans | -136.9 | 132.1 | 175.3 | -108.2 | -162.6 | 119.6 | 0 | 0 | 115.8 | A54 S55 Q56 L57 | E21-A54 WeakPolarHBondContact OE2-CB 3.25Å; E21-S55 VanDerWaalsContact CB-CB 3.48Å; E21-S55 WeakPolarHBondContact CB-O 3.35Å; E21-S55 VanDerWaalsContact N-CB 3.34Å; E21-Q56 VanDerWaalsContact N-CA 3.26Å; E21-Q56 CarbonylContact O-C 3.55Å; E21-Q56 WeakPolarHBondContact O-CA 3.47Å; E21-L57 CarbonylContact C-O 3.38Å; E21-L57 PolarHBondContact O-N 3.39Å | ||
| 22 | R | 35.3 | Very low | 34.6 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 73% | 0.725 | 70% | 0.696 | S | S | * | * | 56.2 | 114.2 | 119 | -173.5 | 179 | -88.1 | 150.8 | -9.3 | 124.4 | L57 | R22-L57 PolarHBondContact N-O 3.29Š| |||
| 23 | A | 31 | Very low | 34.8 | Very low | 60 Ų | 60 | 135.8 Ų | 135.8 | 50% | 0.496 | 71% | 0.712 | S | S | . | * | trans | 172.9 | 144.2 | 131.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P59 | A23-P59 WeakPolarHBondContact O-CD 3.49Å; A23-P59 WeakPolarHBondContact O-CG 3.26Å | ||
| 24 | G | 30.7 | Very low | 35.1 | Very low | 44 Ų | 44 | 136.9 Ų | 136.9 | 45% | 0.454 | 71% | 0.714 | S | S | . | * | cis | 176.9 | -162.4 | 1.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | R61 | G24-R61 PolarHBondContact O-NE 2.98Å; G24-R61 PolarHBondContact O-NH2 2.82Å | ||
| 25 | P | 33.4 | Very low | 35.2 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | cis | -103.4 | -168.3 | -21.3 | 40 | -27.6 | 0 | 0 | 0 | 111.8 | R61 | P25-R61 VanDerWaalsContact CD-NH2 3.29Š| ||
| 26 | R | 30.7 | Very low | 35.2 | Very low | 237 Ų | 237 | 141.4 Ų | 141.4 | 89% | 0.894 | 72% | 0.722 | S | S | * | * | trans | -105.5 | 157.7 | 171.1 | -72.4 | -178.5 | 169 | 99.7 | -5.3 | 111.3 | ||||
| 27 | M | 37.3 | Very low | 35.3 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | trans | -130.4 | 158.1 | 158.5 | -84.9 | -62.8 | 179.8 | 0 | 0 | 109.2 | ||||
| 28 | P | 33.8 | Very low | 35.3 | Very low | 126 Ų | 126 | 150 Ų | 150 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -82.4 | 157.4 | -162 | 32.2 | -36.5 | 0 | 0 | 0 | 114.6 | ||||
| 29 | G | 39.6 | Very low | 35.1 | Very low | 65 Ų | 65 | 149.9 Ų | 149.9 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | trans | -170.6 | 108 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 30 | T | 44.8 | Very low | 35.1 | Very low | 138 Ų | 138 | 152.6 Ų | 152.6 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | 39.2 | 82.8 | 151.8 | 59.6 | 0 | 0 | 0 | 0 | 119.5 | S32 | T30-S32 PolarHBondContact O-N 2.94Š| ||
| 31 | Q | 36.5 | Very low | 35.3 | Very low | 196 Ų | 196 | 154 Ų | 154 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | 23.3 | 85 | 123.2 | -167.6 | -174.5 | 29.5 | 0 | 0 | 119 | |||||
| 32 | S | 37.6 | Very low | 35.3 | Very low | 110 Ų | 110 | 156.3 Ų | 156.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 179.5 | 98.4 | 137.8 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | T30 | T30-S32 PolarHBondContact O-N 2.94Š| ||
| 33 | E | 39.5 | Very low | 35.3 | Very low | 199 Ų | 199 | 155.1 Ų | 155.1 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -168.6 | 149.3 | 138 | -114.7 | -173.8 | 145.7 | 0 | 0 | 111.6 | ||||
| 34 | R | 38.1 | Very low | 35.6 | Very low | 246 Ų | 246 | 157.6 Ų | 157.6 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | trans | -90.6 | 131.1 | -169.4 | -68.9 | -178.3 | 175 | -175.5 | -2.2 | 112.2 | ||||
| 35 | R | 36.3 | Very low | 36 | Very low | 239 Ų | 239 | 160.1 Ų | 160.1 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -77.4 | 132.4 | 174.2 | -66.1 | 175.1 | 177.4 | 163.2 | -0.9 | 111.1 | ||||
| 36 | Y | 30.9 | Very low | 36.3 | Very low | 229 Ų | 229 | 162.3 Ų | 162.3 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | trans | -112.1 | 114 | 149.9 | -94.5 | -86 | 0 | 0 | 0 | 109.2 | ||||
| 37 | R | 34.3 | Very low | 36.7 | Very low | 239 Ų | 239 | 158.5 Ų | 158.5 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -146.8 | 123.5 | 164.8 | -76.8 | -167.5 | 172.3 | -128.5 | -0.9 | 108.3 | ||||
| 38 | H | 33.8 | Very low | 36.8 | Very low | 182 Ų | 182 | 154.5 Ų | 154.5 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -67.6 | 144.1 | 168 | -93.9 | -95.5 | 0 | 0 | 0 | 110.3 | ||||
| 39 | P | 36.4 | Very low | 36.8 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | trans | -76.2 | 148.9 | 170.9 | 32.8 | -34.2 | 0 | 0 | 0 | 110.9 | ||||
| 40 | V | 32.1 | Very low | 36.4 | Very low | 138 Ų | 138 | 158.1 Ų | 158.1 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -132.7 | 131.5 | 164.4 | 179.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 41 | V | 36.4 | Very low | 35.9 | Very low | 123 Ų | 123 | 161.3 Ų | 161.3 | 75% | 0.745 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 135.2 | -172.5 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | I43 | V41-I43 PolarHBondContact O-N 2.99Š|
| 42 | P | 33.6 | Very low | 35.7 | Very low | 119 Ų | 119 | 156.8 Ų | 156.8 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 123.1 | 173.4 | 29.9 | -33.3 | 0 | 0 | 0 | 110.8 | ||
| 43 | I | 34.6 | Very low | 35.4 | Very low | 167 Ų | 167 | 157.6 Ų | 157.6 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 121.2 | 169.6 | -62.4 | 176.2 | 0 | 0 | 0 | 108.4 | V41 | V41-I43 PolarHBondContact O-N 2.99Š|
| 44 | S | 36.7 | Very low | 35.2 | Very low | 111 Ų | 111 | 150.9 Ų | 150.9 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -104.6 | 98.3 | -176.9 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 45 | S | 39.8 | Very low | 35.1 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | 174.9 | 113.3 | 142.5 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 46 | I | 39.4 | Very low | 35 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 69.1 | 153.1 | 147.2 | -56.9 | 166.4 | 0 | 0 | 0 | 116.1 | ||
| 47 | D | 38.8 | Very low | 35 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 84% | 0.84 | 71% | 0.71 | S | S | * | * | trans | 60.9 | 49.9 | 175.6 | -61.1 | -17.2 | 0 | 0 | 0 | 119.1 | ||||
| 48 | A | 38.9 | Very low | 35 | Very low | 94 Ų | 94 | 122.7 Ų | 122.7 | 78% | 0.777 | 69% | 0.692 | S | S | * | * | trans | -96.4 | 125.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 49 | P | 35.1 | Very low | 34.8 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 69% | 0.688 | 68% | 0.676 | S | S | * | * | trans | -75.3 | 143.7 | -174.9 | 28.9 | -34.7 | 0 | 0 | 0 | 114.1 | Y51 | P49-Y51 PolarHBondContact O-N 3.5Š| ||
| 50 | H | 30.6 | Very low | 34.5 | Very low | 161 Ų | 161 | 119.4 Ų | 119.4 | 75% | 0.745 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -84.3 | 70.9 | -160.8 | -166.2 | -71.9 | 0 | 0 | 0 | 114.7 | ||
| 51 | Y | 35.4 | Very low | 34.4 | Very low | 206 Ų | 206 | 121.2 Ų | 121.2 | 81% | 0.808 | 67% | 0.668 | S | S | * | * | trans | -130.8 | 1.5 | 169 | 78.5 | -88.2 | 0 | 0 | 0 | 115.8 | P49 Q53 | P49-Y51 PolarHBondContact O-N 3.5Å; Y51-Q53 VanDerWaalsContact C-N 3.34Å; Y51-Q53 PolarHBondContact O-N 2.97Å; Y51-Q53 VanDerWaalsContact O-N 3.15Å | ||
| 52 | A | 30.3 | Very low | 34 | Very low | 101 Ų | 101 | 121.2 Ų | 121.2 | 84% | 0.835 | 67% | 0.673 | S | S | * | * | trans | -87 | 64.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 53 | Q | 31.7 | Very low | 33.9 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 59% | 0.593 | 67% | 0.672 | S | S | * | * | trans | -126.9 | 136.9 | 166.5 | -66.4 | -168.3 | -15 | 0 | 0 | 110.4 | F19 Y51 | F19-Q53 HydrophobicContact CZ-CB 3.77Å; Y51-Q53 VanDerWaalsContact C-N 3.34Å; Y51-Q53 PolarHBondContact O-N 2.97Å; Y51-Q53 VanDerWaalsContact O-N 3.15Å | ||
| 54 | A | 35.4 | Very low | 34 | Very low | 58 Ų | 58 | 118.1 Ų | 118.1 | 48% | 0.479 | 67% | 0.669 | S | S | . | * | trans | -87.8 | -93.6 | -160.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F19 E21 | F19-A54 VanDerWaalsContact CD2-O 3.31Å; F19-A54 WeakPolarHBondContact CD2-O 3.37Å; F19-A54 WeakPolarHBondContact CG-O 3.41Å; E21-A54 WeakPolarHBondContact OE2-CB 3.25Å | ||
| 55 | S | 36 | Very low | 33.9 | Very low | 43 Ų | 43 | 122.1 Ų | 122.1 | 30% | 0.301 | 68% | 0.676 | S | S | . | * | trans | -169.9 | 153.6 | -142.2 | -95.2 | 0 | 0 | 0 | 0 | 115.1 | N20 E21 | N20-S55 VanDerWaalsContact N-CA 3.3Å; N20-S55 PolarHBondContact N-OG 3.3Å; E21-S55 VanDerWaalsContact CB-CB 3.48Å; E21-S55 WeakPolarHBondContact CB-O 3.35Å; E21-S55 VanDerWaalsContact N-CB 3.34Å | ||
| 56 | Q | 33.8 | Very low | 33.6 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 50% | 0.495 | 68% | 0.683 | S | S | . | * | trans | -147.9 | 94.3 | 176.6 | -77.1 | -168.3 | 82.8 | 0 | 0 | 113.5 | F19 N20 E21 Y58 | F19-Q56 VanDerWaalsContact C-N 3.3Å; F19-Q56 HydrophobicContact CB-CB 4.44Å; F19-Q56 HydrophobicContact CD1-CG 4.34Å; N20-Q56 VanDerWaalsContact CA-N 3.33Å; E21-Q56 VanDerWaalsContact N-CA 3.26Å; E21-Q56 CarbonylContact O-C 3.55Å; E21-Q56 WeakPolarHBondContact O-CA 3.47Å; Q56-Y58 HydrophobicContact CB-CE2 3.79Å; Q56-Y58 HydrophobicContact CG-CE2 4Å; Q56-Y58 PolarHBondContact OE1-OH 2.96Å | ||
| 57 | L | 32.8 | Very low | 33.4 | Very low | 77 Ų | 77 | 126.7 Ų | 126.7 | 40% | 0.403 | 68% | 0.678 | S | S | . | * | trans | -136.1 | 84.1 | -177.8 | -179.4 | 174.9 | 0 | 0 | 0 | 107.1 | N20 E21 R22 | N20-L57 VanDerWaalsContact CA-CB 3.44Å; N20-L57 HydrophobicContact CB-CB 3.6Å; N20-L57 HydrophobicContact CB-CD1 3.98Å; N20-L57 HydrophobicContact CB-CG 4.33Å; N20-L57 WeakPolarHBondContact OD1-CB 3.46Å; N20-L57 WeakPolarHBondContact OD1-CD2 3.41Å; E21-L57 CarbonylContact C-O 3.38Å; E21-L57 PolarHBondContact O-N 3.39Å; R22-L57 PolarHBondContact N-O 3.29Å | ||
| 58 | Y | 33.3 | Very low | 33.1 | Very low | 134 Ų | 134 | 126.8 Ų | 126.8 | 53% | 0.525 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -76.8 | 128.2 | -172 | -66 | -81.2 | 0 | 0 | 0 | 111 | Q56 M60 | Q56-Y58 HydrophobicContact CB-CE2 3.79Å; Q56-Y58 HydrophobicContact CG-CE2 4Å; Q56-Y58 PolarHBondContact OE1-OH 2.96Å; Y58-M60 PolarHBondContact O-N 3.16Å |
| 59 | P | 30.2 | Very low | 32.8 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 51% | 0.513 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 128.4 | 168.6 | 31.1 | -33.7 | 0 | 0 | 0 | 109.4 | A23 | A23-P59 WeakPolarHBondContact O-CD 3.49Å; A23-P59 WeakPolarHBondContact O-CG 3.26Å |
| 60 | M | 29.2 | Very low | 32.5 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 74% | 0.739 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -78 | 141.1 | 176.1 | -66.1 | -96.3 | 75.3 | 0 | 0 | 110.8 | Y58 | Y58-M60 PolarHBondContact O-N 3.16Š|
| 61 | R | 30.9 | Very low | 32.4 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 66% | 0.66 | 68% | 0.684 | S | S | * | * | trans | -119.3 | 137.9 | 166.1 | -71.1 | 176.3 | 172.2 | -100.7 | -4.6 | 108.7 | G24 P25 | G24-R61 PolarHBondContact O-NE 2.98Å; G24-R61 PolarHBondContact O-NH2 2.82Å; P25-R61 VanDerWaalsContact CD-NH2 3.29Å | ||
| 62 | S | 27 | Very low | 31.9 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | trans | -87.2 | 114.3 | 163.8 | 53.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 63 | S | 32.4 | Very low | 31.7 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | trans | -148.3 | 123.3 | 173.6 | -56.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 64 | S | 35.8 | Very low | 31.7 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 81% | 0.811 | 69% | 0.694 | S | S | * | * | trans | -99.5 | 94.4 | -174.2 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 65 | E | 35.4 | Very low | 31.5 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 91% | 0.907 | 71% | 0.712 | S | S | * | * | trans | -161.7 | 174.7 | 156.7 | -114.5 | 154.9 | -178.7 | 0 | 0 | 110.9 | ||||
| 66 | R | 33.7 | Very low | 31.1 | Very low | 219 Ų | 219 | 144.5 Ų | 144.5 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | trans | -103.8 | 163 | -150.7 | -50.9 | -176.3 | -179.5 | 111.8 | 1.3 | 114.5 | ||||
| 67 | D | 33.8 | Very low | 31.2 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | trans | 59.7 | 101.2 | 153.2 | -48.1 | -37.6 | 0 | 0 | 0 | 118.8 | ||||
| 68 | N | 33.4 | Very low | 31.1 | Very low | 159 Ų | 159 | 148 Ų | 148 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | 178.2 | 151.9 | 98.6 | -92.8 | -71.4 | 0 | 0 | 0 | 111.8 | |||||
| 69 | V | 32.3 | Very low | 30.9 | Very low | 106 Ų | 106 | 153.2 Ų | 153.2 | 64% | 0.642 | 80% | 0.796 | S | S | * | * | trans | -128 | 135.7 | -172.5 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 70 | Y | 29.8 | Very low | 31 | Very low | 234 Ų | 234 | 154.5 Ų | 154.5 | 92% | 0.918 | 81% | 0.807 | S | S | * | * | trans | -135.3 | 145.8 | 163.3 | -95.1 | -92 | 0 | 0 | 0 | 110.4 | ||||
| 71 | W | 27.7 | Very low | 31.4 | Very low | 203 Ų | 203 | 152.7 Ų | 152.7 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -126.1 | 147.9 | -178 | -78.4 | 93.6 | 0 | 0 | 0 | 111.5 | ||||
| 72 | Y | 25.4 | Very low | 31.5 | Very low | 221 Ų | 221 | 153.3 Ų | 153.3 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -147.1 | 152.4 | 160.7 | -134.4 | -96.9 | 0 | 0 | 0 | 111 | ||||
| 73 | K | 26.5 | Very low | 31.7 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 74% | 0.739 | 82% | 0.817 | S | S | * | * | trans | -142.6 | 126.7 | 179.8 | -74 | -177.7 | 178 | 176.2 | 0 | 111.5 | ||||
| 74 | P | 31.4 | Very low | 31.7 | Very low | 130 Ų | 130 | 151.8 Ų | 151.8 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | trans | -82.1 | 146 | 160.3 | -11.3 | 29.3 | 0 | 0 | 0 | 111.5 | ||||
| 75 | G | 30.2 | Very low | 31.8 | Very low | 82 Ų | 82 | 152.2 Ų | 152.2 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -85.6 | 177.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 76 | S | 29.1 | Very low | 31.7 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -135.1 | 128.5 | -175.5 | -179.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 77 | L | 34.1 | Very low | 31.9 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 96% | 0.958 | 83% | 0.825 | S | S | * | * | trans | -152.9 | 151.8 | 167.1 | -68 | 176.4 | 0 | 0 | 0 | 106.2 | ||||
| 78 | G | 30.9 | Very low | 31.8 | Very low | 75 Ų | 75 | 144.6 Ų | 144.6 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | cis | -165.8 | 168.9 | -4.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 79 | R | 29.1 | Very low | 31.9 | Very low | 243 Ų | 243 | 145.1 Ų | 145.1 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | trans | -133.7 | 167.8 | -165.3 | -149.9 | -172.7 | -166.9 | -165.5 | 8.7 | 113 | ||||
| 80 | S | 32.5 | Very low | 32 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 83% | 0.834 | S | S | * | * | trans | 87 | 150.4 | 165.4 | -52.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 81 | S | 37.1 | Very low | 32 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | cis | -161.2 | 168.1 | -5.9 | 30.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 82 | Q | 33.7 | Very low | 32.3 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | trans | -31.7 | 154.1 | 174.1 | -62.4 | 167.8 | -18.9 | 0 | 0 | 119.5 | ||||
| 83 | G | 31.8 | Very low | 32.7 | Very low | 79 Ų | 79 | 134.1 Ų | 134.1 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | trans | -142 | 146.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 84 | S | 32.7 | Very low | 33 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -138.4 | 138.9 | -171.4 | -57.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 85 | S | 38.2 | Very low | 33.3 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -154.7 | 133 | 169.3 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 86 | S | 32.4 | Very low | 33.6 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -96.2 | 145.7 | -174.8 | -52.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 87 | S | 37.1 | Very low | 34 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -156.3 | 153.5 | 149.7 | 53 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 88 | T | 32.4 | Very low | 34.2 | Very low | 131 Ų | 131 | 120.7 Ų | 120.7 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -83.4 | 141.9 | -173.6 | 41.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 89 | I | 36.4 | Very low | 34.4 | Very low | 171 Ų | 171 | 122.6 Ų | 122.6 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | trans | 164.8 | 137 | 138.3 | -87.5 | 154.6 | 0 | 0 | 0 | 109.4 | ||||
| 90 | G | 32.9 | Very low | 34.7 | Very low | 67 Ų | 67 | 118.2 Ų | 118.2 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | trans | 63.6 | 100.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | S92 | G90-S92 PolarHBondContact O-N 3.31Å; G90-S92 VanDerWaalsContact O-N 3.14Å | ||
| 91 | Q | 30.8 | Very low | 34.7 | Very low | 202 Ų | 202 | 116.7 Ų | 116.7 | 94% | 0.944 | 73% | 0.728 | S | S | * | * | trans | -73.1 | 103.6 | 170.6 | -74.7 | -176.6 | -26 | 0 | 0 | 112.1 | ||||
| 92 | S | 32.6 | Very low | 34.6 | Very low | 105 Ų | 105 | 115.8 Ų | 115.8 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -84.3 | 119.7 | 166.2 | 51.7 | 0 | 0 | 0 | 0 | 110.9 | G90 V94 | G90-S92 PolarHBondContact O-N 3.31Å; G90-S92 VanDerWaalsContact O-N 3.14Å; S92-V94 PolarHBondContact O-N 3.31Å | ||
| 93 | I | 33.9 | Very low | 34.8 | Very low | 158 Ų | 158 | 112.8 Ų | 112.8 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | trans | -85.8 | 104.2 | 171.1 | -60.1 | 176.6 | 0 | 0 | 0 | 107.9 | I95 | I93-I95 HydrophobicContact CG2-CG1 4.44Š| ||
| 94 | V | 34.2 | Very low | 35 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 74% | 0.739 | 73% | 0.733 | S | S | * | * | trans | -84.1 | 119.6 | 175.1 | -179 | 0 | 0 | 0 | 0 | 109.4 | S92 | S92-V94 PolarHBondContact O-N 3.31Š| ||
| 95 | I | 37.3 | Very low | 34.9 | Very low | 79 Ų | 79 | 118.6 Ų | 118.6 | 41% | 0.405 | 73% | 0.728 | S | S | . | * | trans | -98.7 | 115.5 | 172.2 | -57.2 | -178.1 | 0 | 0 | 0 | 107.8 | I93 V97 F418 | I93-I95 HydrophobicContact CG2-CG1 4.44Å; I95-V97 PolarHBondContact O-N 3.3Å; I95-F418 HydrophobicContact CD1-CE1 3.73Å; I95-F418 HydrophobicContact CD1-CZ 4.06Å | ||
| 96 | P | 36.1 | Very low | 34.6 | Very low | 97 Ų | 97 | 118 Ų | 118 | 63% | 0.63 | 73% | 0.725 | S | S | * | * | trans | -73.7 | 98.8 | -177.4 | 28.7 | -33.9 | 0 | 0 | 0 | 111.2 | V98 | P96-V98 PolarHBondContact O-N 2.9Š| ||
| 97 | V | 36.9 | Very low | 34.6 | Very low | 38 Ų | 38 | 120.4 Ų | 120.4 | 23% | 0.23 | 73% | 0.725 | C | S | . | * | trans | -81.5 | 106.5 | 172.5 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | I95 H99 L415 | I95-V97 PolarHBondContact O-N 3.3Å; V97-H99 WeakPolarHBondContact CG1-NE2 3.4Å; V97-H99 PolarHBondContact O-N 3.48Å; V97-L415 HydrophobicContact CG1-CD2 4.2Å; V97-L415 HydrophobicContact CG2-CD1 4.21Å | ||
| 98 | V | 39.9 | Very low | 34.4 | Very low | 68 Ų | 68 | 119.2 Ų | 119.2 | 41% | 0.412 | 72% | 0.717 | S | S | . | * | trans | -83.8 | 105.6 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | P96 L381 | P96-V98 PolarHBondContact O-N 2.9Å; V98-L381 HydrophobicContact CB-CD2 4.29Å; V98-L381 HydrophobicContact CG2-CD2 3.61Å | ||
| 99 | H | 34.8 | Very low | 34.2 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 54% | 0.537 | 72% | 0.718 | S | S | . | * | trans | -88.5 | 124.7 | 170.5 | -69.4 | -98.9 | 0 | 0 | 0 | 110.5 | V97 G101 | V97-H99 WeakPolarHBondContact CG1-NE2 3.4Å; V97-H99 PolarHBondContact O-N 3.48Å; H99-G101 PolarHBondContact O-N 3.01Å | ||
| 100 | L | 34.7 | Very low | 34.1 | Very low | 151 Ų | 151 | 115.6 Ų | 115.6 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | trans | -80.9 | 112.6 | 164.5 | -77 | 82.9 | 0 | 0 | 0 | 109.2 | F404 | L100-F404 HydrophobicContact CD1-CE1 4.48Š| ||
| 101 | G | 32.2 | Very low | 34.1 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 76% | 0.763 | 72% | 0.718 | S | S | * | * | trans | 44.8 | 77 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | H99 | H99-G101 PolarHBondContact O-N 3.01Š| ||
| 102 | A | 35.8 | Very low | 34.2 | Very low | 93 Ų | 93 | 118.8 Ų | 118.8 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | -100.2 | 94 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | R104 | A102-R104 PolarHBondContact O-N 3.09Š| ||
| 103 | S | 36.9 | Very low | 34.1 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 87% | 0.867 | 71% | 0.714 | S | S | * | * | trans | -62.2 | 130 | -179.6 | -55 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 104 | R | 37.4 | Very low | 34.1 | Very low | 248 Ų | 248 | 121 Ų | 121 | 94% | 0.936 | 72% | 0.72 | S | S | * | * | trans | -82.4 | 131.8 | 177.9 | -74.5 | -178.3 | 167.6 | -164.6 | -3.5 | 111.5 | A102 | A102-R104 PolarHBondContact O-N 3.09Š| ||
| 105 | G | 30.4 | Very low | 34.1 | Very low | 71 Ų | 71 | 118.9 Ų | 118.9 | 73% | 0.732 | 72% | 0.715 | S | S | * | * | trans | 82.1 | 105.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 106 | S | 32.7 | Very low | 33.8 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | trans | -159.7 | 104.7 | 143.7 | -80.8 | 0 | 0 | 0 | 0 | 108.3 | S108 | S106-S108 PolarHBondContact O-N 3.1Š| ||
| 107 | I | 30.8 | Very low | 33.8 | Very low | 178 Ų | 178 | 123.1 Ų | 123.1 | 91% | 0.913 | 74% | 0.736 | S | S | * | * | trans | -83.6 | 107.5 | 170.4 | -58.2 | 171.1 | 0 | 0 | 0 | 106 | ||||
| 108 | S | 33 | Very low | 33.6 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | trans | -134.2 | 103.8 | 178.2 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | S106 S110 | S106-S108 PolarHBondContact O-N 3.1Å; S108-S110 PolarHBondContact O-N 3.44Å | ||
| 109 | S | 29.4 | Very low | 33.6 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -67.5 | 125.6 | 178 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 110 | S | 34.2 | Very low | 33.8 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -137.8 | 92.2 | 170.1 | -71.7 | 0 | 0 | 0 | 0 | 109.5 | S108 | S108-S110 PolarHBondContact O-N 3.44Š| ||
| 111 | S | 31.9 | Very low | 33.8 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -69.1 | 131.6 | 176.5 | 50.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 112 | Y | 33.5 | Very low | 34.3 | Very low | 221 Ų | 221 | 133.6 Ų | 133.6 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -128.3 | 128.2 | 152.5 | 57.6 | -88.6 | 0 | 0 | 0 | 109 | ||||
| 113 | T | 30 | Very low | 34.3 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | -112.1 | 129 | -176.9 | -50.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 114 | M | 34.8 | Very low | 34.3 | Very low | 191 Ų | 191 | 137 Ų | 137 | 94% | 0.941 | 78% | 0.779 | S | S | * | * | trans | -136.5 | 138.2 | 159.6 | -77.1 | -63.4 | 173.5 | 0 | 0 | 107.4 | ||||
| 115 | A | 32.5 | Very low | 34.3 | Very low | 78 Ų | 78 | 131.3 Ų | 131.3 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | trans | -142.5 | 158.4 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 116 | S | 31.7 | Very low | 35 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 61.2 | 154 | 176.3 | 38.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 117 | H | 35.5 | Very low | 35.2 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | -129.7 | 142.3 | 17.7 | -68.1 | -91.4 | 0 | 0 | 0 | 109.3 | ||||
| 118 | S | 33.3 | Very low | 35.6 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | 33.3 | 131.7 | 89.3 | 64.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 119 | S | 41 | Very low | 35.9 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | cis | -155 | 157.3 | 31.4 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 120 | E | 38.6 | Very low | 36.4 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | 55.3 | 143 | 100.3 | -54.2 | 173.4 | 150.4 | 0 | 0 | 116.4 | |||||
| 121 | N | 34.8 | Very low | 36.6 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | cis | -171 | 176.5 | -19.2 | -166.4 | 3.7 | 0 | 0 | 0 | 108.2 | ||||
| 122 | L | 42.2 | Very low | 37.3 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | 78.3 | 148.3 | 160.4 | -64.8 | 165.4 | 0 | 0 | 0 | 121.1 | ||||
| 123 | D | 36.4 | Very low | 37.4 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | trans | -77.6 | 155.3 | -172.3 | -46.7 | -102.4 | 0 | 0 | 0 | 115 | ||||
| 124 | N | 35.5 | Very low | 37.8 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | 176.7 | 164.4 | 104.9 | -95.1 | -71.3 | 0 | 0 | 0 | 113.6 | |||||
| 125 | T | 38.6 | Very low | 38 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | -121.3 | -179.4 | 176.2 | 50.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 126 | P | 44.2 | Very low | 38.3 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | cis | -131.2 | -163.1 | -15 | 27.8 | -3.8 | 0 | 0 | 0 | 113.3 | ||||
| 127 | N | 37.2 | Very low | 38.7 | Very low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | 74.5 | 119.6 | 153.4 | -63 | -20.9 | 0 | 0 | 0 | 120.7 | ||||
| 128 | A | 39.7 | Very low | 39.1 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | 178.3 | 136 | 100.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 129 | L | 39.6 | Very low | 39.2 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | 59 | 129 | 151.6 | -58 | 170.4 | 0 | 0 | 0 | 118.7 | ||||
| 130 | Q | 39.4 | Very low | 39.2 | Very low | 167 Ų | 167 | 133 Ų | 133 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | 67.3 | 131.2 | 61.9 | -72.9 | -172 | -14.4 | 0 | 0 | 114.3 | |||||
| 131 | T | 38.7 | Very low | 39.3 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | cis | -143.7 | -159.2 | -19.6 | 50.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 132 | D | 45.5 | Very low | 39.5 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | cis | -158.3 | -159.8 | 5.7 | -137.6 | -53.2 | 0 | 0 | 0 | 113.4 | ||||
| 133 | N | 36.4 | Very low | 39.2 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -118.5 | 162.1 | -167 | -60.4 | -86.7 | 0 | 0 | 0 | 115.2 | ||||
| 134 | G | 39.5 | Very low | 39 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | 100.2 | 158.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 135 | E | 37.7 | Very low | 39 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | cis | -156.7 | 143.1 | -14 | -176.5 | 165.4 | 106.9 | 0 | 0 | 112.3 | ||||
| 136 | S | 38.7 | Very low | 38.9 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | 28 | 145.3 | 155.1 | -52.9 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 137 | T | 41.2 | Very low | 38.7 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 64% | 0.644 | 77% | 0.767 | S | S | * | * | trans | 112 | 139.7 | 137.2 | 70.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 138 | K | 42.5 | Very low | 38.7 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | 73.3 | 93.7 | 155 | -63.5 | 137.5 | -163.6 | 151.3 | 0 | 118.9 | ||||
| 139 | S | 37 | Very low | 38.7 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -29.6 | 140.1 | 140.4 | 52.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 140 | S | 40 | Very low | 38.9 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | 179.7 | 114.8 | 120.5 | -156.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 141 | T | 41.2 | Very low | 38.9 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | 71.5 | 122.6 | 125.8 | -54.6 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 142 | F | 38.3 | Very low | 39 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | trans | 76.3 | 139.3 | 149.2 | -72.6 | -31.9 | 0 | 0 | 0 | 124.6 | ||||
| 143 | R | 36.8 | Very low | 38.9 | Very low | 228 Ų | 228 | 137.3 Ų | 137.3 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | 79.4 | 111.9 | 145.9 | -75 | 164.9 | -172.3 | -121.7 | 0.5 | 120.2 | ||||
| 144 | T | 31.3 | Very low | 39.3 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -49.6 | 145.1 | 156.7 | 48.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 145 | S | 36.1 | Very low | 39.6 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | -170.7 | 154.5 | 123 | -80.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 146 | S | 36.1 | Very low | 39.7 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -80.2 | 150.9 | -167.6 | -43.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 147 | V | 39 | Very low | 39.8 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | -147.2 | 109 | 150.5 | -177.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 148 | L | 38.6 | Very low | 39.6 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | 52.2 | 136.7 | 101.5 | -52.9 | 177 | 0 | 0 | 0 | 115.2 | |||||
| 149 | T | 39.9 | Very low | 39.4 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | -174.6 | 140.6 | 75.4 | -67.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 150 | A | 43.1 | Very low | 40 | Very low | 105 Ų | 105 | 140 Ų | 140 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | 55.1 | 156.8 | 162 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 151 | G | 38.8 | Very low | 40.5 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | cis | -174.4 | 151.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 152 | N | 41.1 | Very low | 40.6 | Very low | 167 Ų | 167 | 144 Ų | 144 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | -160.9 | -178.1 | 59.2 | -145.1 | -16.4 | 0 | 0 | 0 | 113.2 | |||||
| 153 | R | 44.1 | Very low | 41.6 | Very low | 233 Ų | 233 | 139 Ų | 139 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -76.1 | 168.6 | -155 | -87.3 | -175.7 | 163.5 | -170.2 | -4.1 | 120.5 | ||||
| 154 | P | 45.1 | Very low | 43.2 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -120.8 | -175 | -164.4 | 45.5 | -34.2 | 0 | 0 | 0 | 116 | ||||
| 155 | I | 45.7 | Very low | 45.5 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | trans | -132.8 | 133.5 | 162.2 | -61.6 | -177.3 | 0 | 0 | 0 | 111.8 | ||||
| 156 | N | 38.5 | Very low | 47.7 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -8.5 | 152 | 151.8 | -87.7 | -40.1 | 0 | 0 | 0 | 120.1 | ||||
| 157 | R | 41.1 | Very low | 49.8 | Very low | 221 Ų | 221 | 129.8 Ų | 129.8 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | cis | -161.2 | -154.1 | -3.7 | -149.9 | -179 | -175.5 | -160.9 | 2 | 111.1 | ||||
| 158 | P | 38.3 | Very low | 51.8 | Low | 112 Ų | 112 | 128.8 Ų | 128.8 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | -99 | 174.5 | -128.6 | 43.3 | -29.9 | 0 | 0 | 0 | 116.5 | |||||
| 159 | A | 36.6 | Very low | 54.2 | Low | 96 Ų | 96 | 125.7 Ų | 125.7 | 79% | 0.793 | 72% | 0.724 | S | S | * | * | trans | -93.7 | 144.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 160 | P | 51.4 | Low | 56.4 | Low | 117 Ų | 117 | 124.6 Ų | 124.6 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | trans | -97.2 | 179.2 | 163 | 37.6 | -29.7 | 0 | 0 | 0 | 112 | ||||
| 161 | P | 48.7 | Very low | 58.4 | Low | 121 Ų | 121 | 122.5 Ų | 122.5 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | trans | -106.2 | -166 | -142 | 33.9 | -23.1 | 0 | 0 | 0 | 116.5 | ||||
| 162 | L | 44.5 | Very low | 60.8 | Low | 173 Ų | 173 | 124.5 Ų | 124.5 | 91% | 0.906 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -46 | 131.8 | -176 | -73.1 | 72.9 | 0 | 0 | 0 | 113.2 | ||
| 163 | S | 58.8 | Low | 63.1 | Low | 77 Ų | 77 | 120.1 Ų | 120.1 | 54% | 0.538 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -78.2 | 131.9 | 162.7 | 39.7 | 0 | 0 | 0 | 0 | 110.9 | E168 | S163-E168 PolarHBondContact OG-OE1 3.34Š|
| 164 | D | 71.1 | Confident | 65 | Low | 114 Ų | 114 | 112.1 Ų | 112.1 | 61% | 0.61 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 136.9 | 165.7 | -117.6 | -42.3 | 0 | 0 | 0 | 109.2 | E166 A167 E168 | D164-E166 PolarHBondContact O-N 2.99Å; D164-A167 HydrophobicContact CB-CB 4.27Å; D164-A167 WeakPolarHBondContact O-CB 3.42Å; D164-A167 PolarHBondContact O-N 2.99Å; D164-E168 PolarHBondContact O-N 2.71Å |
| 165 | P | 79.2 | Confident | 67 | Low | 84 Ų | 84 | 112.1 Ų | 112.1 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.6 | -31.4 | 179.1 | 24.8 | -34 | 0 | 0 | 0 | 112.8 | A167 E168 V169 | P165-A167 VanDerWaalsContact C-N 3.27Å; P165-A167 PolarHBondContact O-N 3.2Å; P165-E168 PolarHBondContact O-N 2.98Å; P165-V169 WeakPolarHBondContact O-CG2 3.41Å; P165-V169 PolarHBondContact O-N 3.49Å; P165-V169 VanDerWaalsContact O-N 3.16Å |
| 166 | E | 82.5 | Confident | 69 | Low | 150 Ų | 150 | 109.5 Ų | 109.5 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -55.6 | -41.9 | 170.2 | -114.9 | 79.1 | 169.8 | 0 | 0 | 111.5 | D164 V169 D170 | D164-E166 PolarHBondContact O-N 2.99Å; E166-V169 PolarHBondContact O-N 3.26Å; E166-D170 PolarHBondContact O-N 2.95Å |
| 167 | A | 80.7 | Confident | 71.2 | Confident | 56 Ų | 56 | 107.2 Ų | 107.2 | 46% | 0.463 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.3 | -30.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | D164 P165 A171 | D164-A167 HydrophobicContact CB-CB 4.27Å; D164-A167 WeakPolarHBondContact O-CB 3.42Å; D164-A167 PolarHBondContact O-N 2.99Å; P165-A167 VanDerWaalsContact C-N 3.27Å; P165-A167 PolarHBondContact O-N 3.2Å; A167-A171 VanDerWaalsContact O-CB 3.25Å; A167-A171 WeakPolarHBondContact O-CB 3.38Å; A167-A171 PolarHBondContact O-N 2.98Å |
| 168 | E | 81.1 | Confident | 73.3 | Confident | 109 Ų | 109 | 102 Ų | 102 | 51% | 0.509 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.2 | -37.7 | 171 | -71 | -171.7 | -176.1 | 0 | 0 | 111.8 | S163 D164 P165 L172 | S163-E168 PolarHBondContact OG-OE1 3.34Å; D164-E168 PolarHBondContact O-N 2.71Å; P165-E168 PolarHBondContact O-N 2.98Å; E168-L172 WeakPolarHBondContact O-CB 3.01Å; E168-L172 VanDerWaalsContact O-CG 3.26Å; E168-L172 WeakPolarHBondContact O-CG 3.48Å; E168-L172 PolarHBondContact O-N 2.92Å |
| 169 | V | 88 | Confident | 75.3 | Confident | 91 Ų | 91 | 99.6 Ų | 99.6 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.8 | -42.6 | 174.7 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | P165 E166 L172 T173 | P165-V169 WeakPolarHBondContact O-CG2 3.41Å; P165-V169 PolarHBondContact O-N 3.49Å; P165-V169 VanDerWaalsContact O-N 3.16Å; E166-V169 PolarHBondContact O-N 3.26Å; V169-L172 PolarHBondContact O-N 2.99Å; V169-T173 WeakPolarHBondContact O-CB 3.37Å; V169-T173 PolarHBondContact O-N 3.4Å; V169-T173 PolarHBondContact O-OG1 3.33Å |
| 170 | D | 86.6 | Confident | 77 | Confident | 102 Ų | 102 | 101 Ų | 101 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.1 | -37.8 | 179.7 | -142.2 | 47.9 | 0 | 0 | 0 | 111.6 | E166 T173 N174 | E166-D170 PolarHBondContact O-N 2.95Å; D170-T173 PolarHBondContact O-N 3.28Å; D170-N174 PolarHBondContact O-N 3.38Å; D170-N174 PolarHBondContact O-ND2 3.31Å |
| 171 | A | 84.3 | Confident | 78 | Confident | 61 Ų | 61 | 101.9 Ų | 101.9 | 50% | 0.504 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.5 | -43.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | A167 T173 L175 | A167-A171 VanDerWaalsContact O-CB 3.25Å; A167-A171 WeakPolarHBondContact O-CB 3.38Å; A167-A171 PolarHBondContact O-N 2.98Å; A171-T173 VanDerWaalsContact C-N 3.33Å; A171-T173 PolarHBondContact O-N 3.49Å; A171-L175 WeakPolarHBondContact O-CB 3.12Å; A171-L175 PolarHBondContact O-N 3.5Å |
| 172 | L | 88.7 | Confident | 78.6 | Confident | 115 Ų | 115 | 101.3 Ų | 101.3 | 60% | 0.602 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.3 | -36 | 175.2 | -74.2 | 170.2 | 0 | 0 | 0 | 112.3 | E168 V169 L175 L176 | E168-L172 WeakPolarHBondContact O-CB 3.01Å; E168-L172 VanDerWaalsContact O-CG 3.26Å; E168-L172 WeakPolarHBondContact O-CG 3.48Å; E168-L172 PolarHBondContact O-N 2.92Å; V169-L172 PolarHBondContact O-N 2.99Å; L172-L175 PolarHBondContact O-N 3Å; L172-L176 WeakPolarHBondContact O-CB 3.24Å; L172-L176 PolarHBondContact O-N 3.2Å |
| 173 | T | 90.1 | Very high | 78.8 | Confident | 75 Ų | 75 | 103.5 Ų | 103.5 | 46% | 0.46 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.6 | -45.9 | 177.7 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | V169 D170 A171 L175 L176 M177 | V169-T173 WeakPolarHBondContact O-CB 3.37Å; V169-T173 PolarHBondContact O-N 3.4Å; V169-T173 PolarHBondContact O-OG1 3.33Å; D170-T173 PolarHBondContact O-N 3.28Å; A171-T173 VanDerWaalsContact C-N 3.33Å; A171-T173 PolarHBondContact O-N 3.49Å; T173-L175 PolarHBondContact O-N 2.76Å; T173-L176 PolarHBondContact O-N 3.17Å; T173-M177 WeakPolarHBondContact O-CB 3.33Å; T173-M177 PolarHBondContact O-N 3.32Å |
| 174 | N | 85.1 | Confident | 78 | Confident | 66 Ų | 66 | 104.1 Ų | 104.1 | 35% | 0.353 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.9 | -40.5 | 174.8 | -78.9 | -75.9 | 0 | 0 | 0 | 112.3 | D170 L176 M177 Q178 | D170-N174 PolarHBondContact O-N 3.38Å; D170-N174 PolarHBondContact O-ND2 3.31Å; N174-L176 VanDerWaalsContact C-N 3.35Å; N174-L176 PolarHBondContact O-N 3.27Å; N174-M177 PolarHBondContact O-N 2.66Å; N174-Q178 WeakPolarHBondContact O-CG 3.47Å; N174-Q178 PolarHBondContact O-N 3.07Å |
| 175 | L | 86.1 | Confident | 76.5 | Confident | 113 Ų | 113 | 104.3 Ų | 104.3 | 59% | 0.592 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64 | -39.5 | 175.6 | -167.1 | 74.8 | 0 | 0 | 0 | 112 | A171 L172 T173 S179 | A171-L175 WeakPolarHBondContact O-CB 3.12Å; A171-L175 PolarHBondContact O-N 3.5Å; L172-L175 PolarHBondContact O-N 3Å; T173-L175 PolarHBondContact O-N 2.76Å; L175-S179 WeakPolarHBondContact O-CB 3.22Å; L175-S179 PolarHBondContact O-N 3.46Å |
| 176 | L | 86.7 | Confident | 74.8 | Confident | 107 Ų | 107 | 107.3 Ų | 107.3 | 56% | 0.56 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.5 | -40.2 | 177 | -166.1 | 150.1 | 0 | 0 | 0 | 111.1 | L172 T173 N174 S179 M180 | L172-L176 WeakPolarHBondContact O-CB 3.24Å; L172-L176 PolarHBondContact O-N 3.2Å; T173-L176 PolarHBondContact O-N 3.17Å; N174-L176 VanDerWaalsContact C-N 3.35Å; N174-L176 PolarHBondContact O-N 3.27Å; L176-S179 WeakPolarHBondContact O-CB 3.31Å; L176-S179 PolarHBondContact O-N 3.05Å; L176-S179 PolarHBondContact O-OG 2.89Å; L176-M180 HydrophobicContact CD2-CE 4.32Å; L176-M180 HydrophobicContact CD2-SD 4.45Å; L176-M180 PolarHBondContact O-N 3.5Å |
| 177 | M | 86.5 | Confident | 72.7 | Confident | 91 Ų | 91 | 105.3 Ų | 105.3 | 45% | 0.448 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.9 | -49.7 | 175.2 | -163.9 | 152.8 | 61 | 0 | 0 | 111.5 | T173 N174 S179 M180 E181 | T173-M177 WeakPolarHBondContact O-CB 3.33Å; T173-M177 PolarHBondContact O-N 3.32Å; N174-M177 PolarHBondContact O-N 2.66Å; M177-S179 VanDerWaalsContact C-N 3.25Å; M177-S179 PolarHBondContact O-N 3.33Å; M177-M180 PolarHBondContact O-N 3.48Å; M177-E181 PolarHBondContact O-N 3.24Å; M177-E181 VanDerWaalsContact O-N 3.1Å |
| 178 | Q | 83.6 | Confident | 70.6 | Confident | 111 Ų | 111 | 107.9 Ų | 107.9 | 52% | 0.519 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60 | -32.8 | 174.2 | -70.6 | 173.7 | 4.9 | 0 | 0 | 112.7 | N174 M180 E181 T182 | N174-Q178 WeakPolarHBondContact O-CG 3.47Å; N174-Q178 PolarHBondContact O-N 3.07Å; Q178-M180 VanDerWaalsContact C-N 3.26Å; Q178-M180 PolarHBondContact O-N 3.28Å; Q178-E181 PolarHBondContact O-N 3.49Å; Q178-T182 WeakPolarHBondContact O-CB 3.21Å; Q178-T182 WeakPolarHBondContact O-CG2 3.45Å; Q178-T182 PolarHBondContact O-N 2.84Å; Q178-T182 PolarHBondContact O-OG1 3.47Å |
| 179 | S | 81.7 | Confident | 68.7 | Low | 62 Ų | 62 | 107.8 Ų | 107.8 | 43% | 0.434 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.3 | -20 | 175.6 | 83.4 | 0 | 0 | 0 | 0 | 114.2 | L175 L176 M177 | L175-S179 WeakPolarHBondContact O-CB 3.22Å; L175-S179 PolarHBondContact O-N 3.46Å; L176-S179 WeakPolarHBondContact O-CB 3.31Å; L176-S179 PolarHBondContact O-N 3.05Å; L176-S179 PolarHBondContact O-OG 2.89Å; M177-S179 VanDerWaalsContact C-N 3.25Å; M177-S179 PolarHBondContact O-N 3.33Å |
| 180 | M | 72.2 | Confident | 66.3 | Low | 127 Ų | 127 | 106.8 Ų | 106.8 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -88.4 | -40.1 | 172.7 | -62.8 | -161.6 | -61.5 | 0 | 0 | 111.5 | L176 M177 Q178 T182 R183 | L176-M180 HydrophobicContact CD2-CE 4.32Å; L176-M180 HydrophobicContact CD2-SD 4.45Å; L176-M180 PolarHBondContact O-N 3.5Å; M177-M180 PolarHBondContact O-N 3.48Å; Q178-M180 VanDerWaalsContact C-N 3.26Å; Q178-M180 PolarHBondContact O-N 3.28Å; M180-T182 PolarHBondContact O-N 2.91Å; M180-R183 PolarHBondContact O-N 2.76Å |
| 181 | E | 72.4 | Confident | 64.2 | Low | 134 Ų | 134 | 107.3 Ų | 107.3 | 63% | 0.626 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65 | -36.8 | 177.8 | -66.4 | 173.4 | 143.4 | 0 | 0 | 112.4 | M177 Q178 R183 | M177-E181 PolarHBondContact O-N 3.24Å; M177-E181 VanDerWaalsContact O-N 3.1Å; Q178-E181 PolarHBondContact O-N 3.49Å; E181-R183 PolarHBondContact O-N 2.86Å; E181-R183 VanDerWaalsContact O-N 3.09Å |
| 182 | T | 60.6 | Low | 62 | Low | 109 Ų | 109 | 108.1 Ų | 108.1 | 67% | 0.669 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 6.2 | 178.6 | 49.4 | 0 | 0 | 0 | 0 | 114.9 | Q178 M180 | Q178-T182 WeakPolarHBondContact O-CB 3.21Å; Q178-T182 WeakPolarHBondContact O-CG2 3.45Å; Q178-T182 PolarHBondContact O-N 2.84Å; Q178-T182 PolarHBondContact O-OG1 3.47Å; M180-T182 PolarHBondContact O-N 2.91Å |
| 183 | R | 49.2 | Very low | 59.7 | Low | 219 Ų | 219 | 106.1 Ų | 106.1 | 83% | 0.826 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -105.9 | 44.7 | 170.8 | -59.5 | -167.3 | 76.2 | -170.3 | 3.2 | 112.4 | M180 E181 | M180-R183 PolarHBondContact O-N 2.76Å; E181-R183 PolarHBondContact O-N 2.86Å; E181-R183 VanDerWaalsContact O-N 3.09Å |
| 184 | S | 42.5 | Very low | 57.2 | Low | 91 Ų | 91 | 108.5 Ų | 108.5 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -146.6 | 155.2 | 168 | -81.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 185 | S | 39.9 | Very low | 55 | Low | 117 Ų | 117 | 113.1 Ų | 113.1 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | 51 | 87.9 | 175.7 | 53.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 186 | V | 42.3 | Very low | 52.7 | Low | 148 Ų | 148 | 114.1 Ų | 114.1 | 90% | 0.897 | 72% | 0.72 | S | S | * | * | trans | -131.2 | 120.2 | 142.5 | -162.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 187 | S | 38.3 | Very low | 50.6 | Low | 107 Ų | 107 | 114.9 Ų | 114.9 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -65.2 | 169.2 | 174.1 | -35.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 188 | S | 36.9 | Very low | 48.3 | Very low | 110 Ų | 110 | 114 Ų | 114 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | cis | -179.2 | 175.6 | -12.7 | 41.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 189 | A | 40.8 | Very low | 46.9 | Very low | 107 Ų | 107 | 114 Ų | 114 | 88% | 0.884 | 76% | 0.759 | S | S | * | * | trans | 76 | 143.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 190 | G | 38.4 | Very low | 45 | Very low | 70 Ų | 70 | 118.7 Ų | 118.7 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | cis | 178.3 | 160.1 | -8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 191 | A | 42.7 | Very low | 43.6 | Very low | 114 Ų | 114 | 116.4 Ų | 116.4 | 94% | 0.942 | 79% | 0.787 | S | S | * | * | trans | 61 | 152.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 192 | G | 38.3 | Very low | 42.3 | Very low | 78 Ų | 78 | 116.3 Ų | 116.3 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | cis | 166.7 | 106.4 | -9.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 193 | G | 39.3 | Very low | 41.2 | Very low | 73 Ų | 73 | 118.3 Ų | 118.3 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 85.4 | 169.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 194 | T | 38.9 | Very low | 40.9 | Very low | 124 Ų | 124 | 112.9 Ų | 112.9 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | cis | -171.9 | 119.8 | -26.3 | -94.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 195 | L | 37.5 | Very low | 40.8 | Very low | 163 Ų | 163 | 114.1 Ų | 114.1 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | 60.7 | 170.6 | 165.2 | -58.7 | 169.5 | 0 | 0 | 0 | 115.9 | ||||
| 196 | T | 38.3 | Very low | 41.3 | Very low | 135 Ų | 135 | 114.8 Ų | 114.8 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | cis | -132.7 | 172.1 | 11.8 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 197 | S | 42.5 | Very low | 41.1 | Very low | 123 Ų | 123 | 112.8 Ų | 112.8 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -100.8 | 162.3 | -172.5 | 52.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 198 | G | 38.6 | Very low | 41 | Very low | 73 Ų | 73 | 111.6 Ų | 111.6 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 178.2 | 118.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 199 | P | 53.7 | Low | 41.1 | Very low | 111 Ų | 111 | 112 Ų | 112 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | trans | -113.8 | -165.9 | 179.7 | 42.1 | -33 | 0 | 0 | 0 | 114.4 | ||||
| 200 | D | 41.6 | Very low | 41.1 | Very low | 160 Ų | 160 | 115.3 Ų | 115.3 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | 86.6 | 131 | 166 | -56.9 | -31.5 | 0 | 0 | 0 | 119.9 | ||||
| 201 | G | 42.5 | Very low | 41 | Very low | 78 Ų | 78 | 122.6 Ų | 122.6 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | 170.6 | 119.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 202 | V | 46.4 | Very low | 40.8 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 81% | 0.806 | 82% | 0.823 | S | S | * | * | trans | -126.8 | 162 | -161.4 | -68.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 203 | N | 36.9 | Very low | 40.7 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | 91.1 | 129.1 | 146.3 | -96.6 | 1.2 | 0 | 0 | 0 | 123.1 | ||||
| 204 | S | 43.3 | Very low | 40.6 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | 83.4 | 121 | 133.9 | -60.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 205 | S | 39.8 | Very low | 40.6 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -93.4 | 166 | 157.8 | -39.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 206 | P | 50.8 | Low | 40.9 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -121 | 157.2 | 153 | 36.9 | -27.3 | 0 | 0 | 0 | 112.7 | ||||
| 207 | A | 38.1 | Very low | 40.7 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | trans | -109.7 | 154 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 208 | G | 36.5 | Very low | 40.4 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -131.4 | 124.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 209 | S | 38.7 | Very low | 40.8 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -107.1 | 154.2 | 177.5 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 210 | L | 39.9 | Very low | 39.9 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 93% | 0.927 | 83% | 0.826 | S | S | * | * | trans | -154.6 | 164.3 | 144.5 | -107.6 | 167.3 | 0 | 0 | 0 | 110.2 | ||||
| 211 | R | 36.9 | Very low | 39.8 | Very low | 223 Ų | 223 | 133.5 Ų | 133.5 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | -132.9 | 172.4 | -163.7 | -70 | -172.2 | 178 | -147.3 | 4.8 | 113.5 | ||||
| 212 | R | 38.4 | Very low | 39.5 | Very low | 255 Ų | 255 | 140.6 Ų | 140.6 | 96% | 0.962 | 82% | 0.822 | S | S | * | * | trans | 99.2 | 141.8 | 168 | -56.2 | 171.9 | -166.7 | -106.4 | 3.6 | 113.2 | ||||
| 213 | G | 36.2 | Very low | 39.1 | Very low | 73 Ų | 73 | 141.1 Ų | 141.1 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | cis | -162.7 | 179.8 | -1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 214 | S | 37.8 | Very low | 39.3 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 97% | 0.972 | 81% | 0.81 | S | S | * | * | trans | -130.8 | 146.3 | -169.4 | -52 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 215 | G | 39.2 | Very low | 39 | Very low | 61 Ų | 61 | 142.7 Ų | 142.7 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | trans | -163.6 | 126.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 216 | L | 42.7 | Very low | 38.9 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | 57.4 | 122.5 | 74.3 | -58 | 175.2 | 0 | 0 | 0 | 110.6 | |||||
| 217 | N | 35.3 | Very low | 38.1 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | cis | -156.6 | 174 | 32.7 | -145.9 | -2 | 0 | 0 | 0 | 113 | ||||
| 218 | S | 36.1 | Very low | 37.9 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | trans | -138.3 | 131.3 | -175.7 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 219 | Q | 46.1 | Very low | 37.9 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -147.7 | 132 | 165.8 | -70.8 | -153.7 | -7.4 | 0 | 0 | 110 | ||||
| 220 | F | 35.8 | Very low | 37.8 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | 56.3 | 138.3 | 91.4 | -62.2 | -72.5 | 0 | 0 | 0 | 115.2 | |||||
| 221 | G | 38.4 | Very low | 37.5 | Very low | 68 Ų | 68 | 143.8 Ų | 143.8 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | cis | -150.9 | 166.4 | -4.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 222 | R | 36.6 | Very low | 37.5 | Very low | 228 Ų | 228 | 136.9 Ų | 136.9 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | 90.6 | 142.6 | 50.7 | -149.3 | -168.6 | -177.5 | 159.4 | 1.9 | 112.9 | |||||
| 223 | L | 38.8 | Very low | 37.5 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 84.7 | 157.3 | 179.3 | -76.5 | 82 | 0 | 0 | 0 | 118.8 | ||||
| 224 | Q | 40 | Very low | 37.5 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 62% | 0.617 | 79% | 0.793 | S | S | * | * | cis | -178.9 | 121.2 | -49.4 | 164.1 | 166.7 | -1 | 0 | 0 | 113.8 | ||||
| 225 | Q | 37.5 | Very low | 37.4 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | trans | 58.2 | -174.3 | 150.1 | -69.2 | 170.7 | -23.9 | 0 | 0 | 120.7 | ||||
| 226 | H | 37.6 | Very low | 37.2 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 78.5 | 148.1 | 179.6 | -49.3 | -82.7 | 0 | 0 | 0 | 117.2 | ||||
| 227 | S | 33.3 | Very low | 37.2 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | 174.8 | 131.3 | -55.4 | -90.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 228 | G | 34.6 | Very low | 37.3 | Very low | 64 Ų | 64 | 128.3 Ų | 128.3 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | trans | 143.9 | 133.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 229 | L | 35.4 | Very low | 37.3 | Very low | 178 Ų | 178 | 127.1 Ų | 127.1 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | 70.3 | 129.8 | 57.3 | -63.2 | 166.9 | 0 | 0 | 0 | 112.1 | |||||
| 230 | S | 37 | Very low | 37 | Very low | 97 Ų | 97 | 122.4 Ų | 122.4 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | cis | -169.5 | 148 | 1.7 | 46.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 231 | S | 34.6 | Very low | 37.1 | Very low | 126 Ų | 126 | 126 Ų | 126 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | trans | 60.4 | 136.9 | 137.6 | -55.9 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 232 | G | 36 | Very low | 37.1 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 108.8 | 153.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 233 | A | 39 | Very low | 37.5 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | cis | -166.9 | 150.5 | -18.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 234 | G | 35.4 | Very low | 38 | Very low | 87 Ų | 87 | 120.4 Ų | 120.4 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | 78.9 | 152.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 235 | G | 36.3 | Very low | 37.9 | Very low | 63 Ų | 63 | 120.4 Ų | 120.4 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | cis | 167.5 | 153.2 | -14.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 236 | T | 35.5 | Very low | 37.7 | Very low | 139 Ų | 139 | 117.4 Ų | 117.4 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | 67.9 | 151.9 | 153.8 | 63.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 237 | V | 41.4 | Very low | 37.8 | Very low | 114 Ų | 114 | 116 Ų | 116 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | cis | -163.6 | 167.3 | -5.6 | -103.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 238 | N | 38.4 | Very low | 37.7 | Very low | 161 Ų | 161 | 116 Ų | 116 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | 75.7 | 145.9 | 156.3 | -61.3 | -25.2 | 0 | 0 | 0 | 120.5 | ||||
| 239 | G | 36.3 | Very low | 37.8 | Very low | 74 Ų | 74 | 120.9 Ų | 120.9 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | cis | 172.2 | 161 | -9.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 240 | G | 39.1 | Very low | 37.5 | Very low | 76 Ų | 76 | 117.6 Ų | 117.6 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 88.6 | 130 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 241 | R | 37.9 | Very low | 37.4 | Very low | 265 Ų | 265 | 117.9 Ų | 117.9 | 100% | 1 | 81% | 0.811 | S | S | * | * | cis | 105.9 | 123.2 | 18 | -79 | -164.8 | 163.2 | -140.4 | -1.7 | 115.6 | ||||
| 242 | G | 37.7 | Very low | 37.5 | Very low | 75 Ų | 75 | 118.6 Ų | 118.6 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -179.8 | 147.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 243 | S | 45.5 | Very low | 37.4 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -123.5 | 161 | -157.8 | -62.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 244 | P | 49.2 | Very low | 37.4 | Very low | 125 Ų | 125 | 120.9 Ų | 120.9 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -103.4 | -179.5 | -177.2 | 41.6 | -36.4 | 0 | 0 | 0 | 114.3 | ||||
| 245 | S | 37.4 | Very low | 37.3 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -155.3 | 165.2 | 162.4 | -124.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 246 | A | 33.3 | Very low | 37.3 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -135.3 | 169 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 247 | T | 39.7 | Very low | 37.5 | Very low | 139 Ų | 139 | 123.2 Ų | 123.2 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -149.9 | 151.9 | 163.8 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 248 | V | 31.3 | Very low | 37.2 | Very low | 120 Ų | 120 | 123 Ų | 123 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -123 | 140.6 | -174.8 | 173.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 249 | I | 36.8 | Very low | 37.3 | Very low | 167 Ų | 167 | 120.1 Ų | 120.1 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -142.2 | 152.5 | 156.9 | -55.3 | -176.7 | 0 | 0 | 0 | 108.8 | ||||
| 250 | T | 29.9 | Very low | 37.2 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | trans | -134.1 | 163.6 | -163.9 | -48.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 251 | S | 34.9 | Very low | 37.2 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | 84.2 | 155.8 | 168.6 | -23.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 252 | T | 36.3 | Very low | 37.2 | Very low | 141 Ų | 141 | 118.3 Ų | 118.3 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | cis | -142.4 | -178.2 | 12.7 | -17.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 253 | S | 35 | Very low | 37.5 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | -116.8 | 161.2 | -167.4 | 52.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 254 | T | 37.4 | Very low | 37.2 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -179.5 | 107.2 | 154.6 | 16.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 255 | T | 33.8 | Very low | 36.6 | Very low | 137 Ų | 137 | 122.1 Ų | 122.1 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | 88.5 | 122.6 | 79 | 53.6 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 256 | G | 37.1 | Very low | 36.6 | Very low | 75 Ų | 75 | 120.3 Ų | 120.3 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 102.6 | 137.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 257 | S | 38.8 | Very low | 36.9 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 88% | 0.881 | 77% | 0.77 | S | S | * | * | cis | -156.1 | 169 | -3.6 | -74.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 258 | S | 36.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 118.3 Ų | 118.3 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -62.3 | 173.9 | -179.6 | -48.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 259 | S | 40 | Very low | 37.3 | Very low | 100 Ų | 100 | 117.6 Ų | 117.6 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | cis | -162.6 | 133.5 | 33.1 | -32.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 260 | T | 33.8 | Very low | 37.3 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | 81.6 | 144.7 | 96 | 64.3 | 0 | 0 | 0 | 0 | 119 | |||||
| 261 | N | 40.3 | Very low | 37.3 | Very low | 150 Ų | 150 | 117.6 Ų | 117.6 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 94 | 134.1 | 167.9 | -50.2 | -15.6 | 0 | 0 | 0 | 117.2 | ||||
| 262 | S | 37.5 | Very low | 37.3 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | -162.7 | 149.3 | -27.1 | -95.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 263 | P | 43.8 | Very low | 37 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -116.7 | 168.8 | -170.4 | 42.3 | -34.6 | 0 | 0 | 0 | 116.9 | ||||
| 264 | T | 39 | Very low | 37.2 | Very low | 132 Ų | 132 | 118.2 Ų | 118.2 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | 178.5 | 154.7 | 164.7 | 11.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 265 | E | 36.3 | Very low | 36.8 | Very low | 153 Ų | 153 | 119.6 Ų | 119.6 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | cis | -134.8 | 162 | -5.7 | -94.4 | -67.4 | 64.6 | 0 | 0 | 107.5 | ||||
| 266 | S | 38.4 | Very low | 36.8 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | 59.2 | 133.6 | 63.8 | -46.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 267 | A | 39.2 | Very low | 36.6 | Very low | 92 Ų | 92 | 121.3 Ų | 121.3 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | cis | -168.6 | 164.8 | -4.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 268 | S | 40.3 | Very low | 36.1 | Very low | 98 Ų | 98 | 121 Ų | 121 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | cis | -171.7 | 165.6 | -25.1 | 68.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 269 | S | 39.1 | Very low | 35.7 | Very low | 105 Ų | 105 | 120 Ų | 120 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | 69.6 | 163.2 | 153 | -39.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 270 | M | 35.9 | Very low | 35.4 | Very low | 178 Ų | 178 | 121.8 Ų | 121.8 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | cis | -132.9 | 171.9 | -0.9 | -79.5 | -167.7 | 82.3 | 0 | 0 | 111.5 | ||||
| 271 | C | 29.4 | Very low | 35.4 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 68% | 0.676 | 77% | 0.772 | S | S | * | * | trans | -93.4 | 163.5 | 176 | 61 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 272 | N | 36.1 | Very low | 34.9 | Very low | 157 Ų | 157 | 123 Ų | 123 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | -168.1 | 150.5 | 120.6 | -100.9 | -5.9 | 0 | 0 | 0 | 113.2 | |||||
| 273 | S | 30.1 | Very low | 34.6 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -88.8 | 149.2 | 176.3 | -54 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 274 | G | 38 | Very low | 34.6 | Very low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | -165.5 | 138.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 275 | D | 30 | Very low | 34.8 | Very low | 158 Ų | 158 | 122.7 Ų | 122.7 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -85.3 | 170.4 | -165.2 | -79.8 | -73.2 | 0 | 0 | 0 | 115.6 | ||||
| 276 | T | 33 | Very low | 35.6 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | 77.7 | 132 | 162.7 | 55.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 277 | T | 32.7 | Very low | 36.7 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 66.8 | 99.6 | 152.2 | 46.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 278 | S | 28.7 | Very low | 38.1 | Very low | 119 Ų | 119 | 119.2 Ų | 119.2 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | 66.9 | 65.9 | 116.9 | -51.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 279 | A | 28.9 | Very low | 40 | Very low | 89 Ų | 89 | 118.6 Ų | 118.6 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | -160.5 | 49.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116 | T281 | A279-T281 PolarHBondContact O-N 2.92Š| ||
| 280 | V | 32.8 | Very low | 42 | Very low | 138 Ų | 138 | 113.6 Ų | 113.6 | 84% | 0.836 | 69% | 0.692 | S | S | * | * | trans | -77.4 | 105.7 | 168.6 | -171.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 281 | T | 33.1 | Very low | 44.1 | Very low | 114 Ų | 114 | 106.4 Ų | 106.4 | 70% | 0.699 | 66% | 0.655 | S | S | * | * | trans | -70.8 | 156.5 | -173.5 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | A279 A283 | A279-T281 PolarHBondContact O-N 2.92Å; T281-A283 PolarHBondContact O-N 3.18Å | ||
| 282 | N | 29.5 | Very low | 46.5 | Very low | 178 Ų | 178 | 105.9 Ų | 105.9 | 95% | 0.952 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -67.5 | 88.3 | -175.6 | -79.1 | -50.1 | 0 | 0 | 0 | 113.1 | ||
| 283 | A | 31.6 | Very low | 48.7 | Very low | 61 Ų | 61 | 100.8 Ų | 100.8 | 50% | 0.504 | 62% | 0.615 | S | S | . | * | trans | -143.4 | 153.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T281 F285 | T281-A283 PolarHBondContact O-N 3.18Å; A283-F285 PolarHBondContact O-N 2.78Å | ||
| 284 | T | 44.3 | Very low | 51.1 | Low | 105 Ų | 105 | 103 Ų | 103 | 64% | 0.644 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 64.7 | -6.2 | 162.8 | -39 | 0 | 0 | 0 | 0 | 118.8 | G286 Q287 | T284-G286 PolarHBondContact O-N 3.49Å; T284-Q287 PolarHBondContact O-N 2.78Å |
| 285 | F | 43.1 | Very low | 53 | Low | 188 Ų | 188 | 108.6 Ų | 108.6 | 83% | 0.825 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 9.9 | -174.4 | -109.4 | -84.9 | 0 | 0 | 0 | 118.3 | A283 | A283-F285 PolarHBondContact O-N 2.78Š|
| 286 | G | 53.5 | Low | 55.3 | Low | 62 Ų | 62 | 105 Ų | 105 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -12.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | T284 | T284-G286 PolarHBondContact O-N 3.49Š|
| 287 | Q | 60.7 | Low | 57.1 | Low | 114 Ų | 114 | 99.6 Ų | 99.6 | 53% | 0.533 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94 | -10.1 | -158.3 | -62.3 | -169.9 | 6.8 | 0 | 0 | 116.8 | T284 K325 | T284-Q287 PolarHBondContact O-N 2.78Å; Q287-K325 VanDerWaalsContact O-CD 3.24Å; Q287-K325 WeakPolarHBondContact O-CD 3.2Å; Q287-K325 WeakPolarHBondContact O-CE 3.35Å; Q287-K325 PolarHBondContact O-NZ 3.26Å |
| 288 | N | 69.3 | Low | 58.7 | Low | 89 Ų | 89 | 98.9 Ų | 98.9 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 16.6 | -171 | -66.9 | -15.3 | 0 | 0 | 0 | 113.8 | S296 L297 K325 | N288-S296 WeakPolarHBondContact O-CA 3.37Å; N288-L297 PolarHBondContact O-N 3.39Å; N288-K325 PolarHBondContact OD1-NZ 3.26Å |
| 289 | I | 80.4 | Confident | 59.9 | Low | 85 Ų | 85 | 97.7 Ų | 97.7 | 44% | 0.436 | 53% | 0.532 | S | S | . | . | B | Isolated β-bridge | trans | -109 | 129 | -179.6 | -63.7 | 174.2 | 0 | 0 | 0 | 109.5 | F291 R294 | I289-F291 PolarHBondContact O-N 2.84Å; I289-F291 VanDerWaalsContact O-N 3.15Å; I289-R294 HydrophobicContact CG2-CB 4.29Å |
| 290 | C | 81.5 | Confident | 61 | Low | 0 Ų | 0 | 98.3 Ų | 98.3 | 0% | 0 | 53% | 0.528 | C | S | . | . | trans | -63.3 | 117.9 | 176.9 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | R292 C293 R294 R295 L297 | C290-R292 PolarHBondContact O-N 3.25Å; C290-C293 VanDerWaalsContact CB-SG 3.59Å; C290-C293 PolarHBondContact O-N 2.9Å; C290-C293 PolarHBondContact SG-SG 2.06Å; C290-R294 VanDerWaalsContact O-CA 3.31Å; C290-R294 WeakPolarHBondContact O-CA 3.3Å; C290-R294 PolarHBondContact O-N 3.08Å; C290-R295 WeakPolarHBondContact CB-O 2.97Å; C290-R295 PolarHBondContact N-O 3.05Å; C290-L297 HydrophobicContact CB-CD2 3.62Å; C290-L297 HydrophobicContact CB-CG 4Å | ||
| 291 | F | 79.5 | Confident | 61.5 | Low | 26 Ų | 26 | 101.5 Ų | 101.5 | 11% | 0.114 | 53% | 0.534 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -29.4 | -171.8 | 178.7 | -103.3 | 0 | 0 | 0 | 114.9 | I289 V324 K325 L326 H347 R350 | I289-F291 PolarHBondContact O-N 2.84Å; I289-F291 VanDerWaalsContact O-N 3.15Å; F291-V324 HydrophobicContact CB-CB 4Å; F291-V324 HydrophobicContact CB-CG1 4.28Å; F291-V324 HydrophobicContact CD1-CG2 4.5Å; F291-V324 HydrophobicContact CD2-CB 4.09Å; F291-V324 HydrophobicContact CD2-CG1 3.45Å; F291-V324 VanDerWaalsContact CD2-CG1 3.45Å; F291-V324 HydrophobicContact CE2-CG1 3.88Å; F291-V324 HydrophobicContact CG-CB 4.01Å; F291-V324 HydrophobicContact CG-CG1 3.89Å; F291-V324 HydrophobicContact CG-CG2 4.31Å; F291-K325 PolarHBondContact N-O 2.87Å; F291-L326 HydrophobicContact CB-CD2 4.08Å; F291-L326 HydrophobicContact CB-CG 4.04Å; F291-H347 AromaticContact CE1-CE1 3.3Å; F291-H347 WeakPolarHBondContact CE1-CE1 3.39Å; F291-H347 AromaticContact CZ-CE1 3.25Å; F291-H347 WeakPolarHBondContact CZ-CE1 3.1Å; F291-H347 AromaticContact CZ-NE2 3.79Å; F291-R350 HydrophobicContact CE1-CB 3.9Å; F291-R350 HydrophobicContact CE1-CG 4.22Å; F291-R350 HydrophobicContact CE2-CG 4.02Å; F291-R350 HydrophobicContact CZ-CB 3.74Å; F291-R350 HydrophobicContact CZ-CG 3.54Å; F291-R350 PolarHBondContact O-NH1 3.29Å |
| 292 | R | 79.4 | Confident | 62.2 | Low | 89 Ų | 89 | 99.2 Ų | 99.2 | 34% | 0.336 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -60.1 | 177.7 | -175.6 | -174.5 | -167.5 | 135.2 | -2 | 113.5 | C290 L326 C330 T332 C333 | C290-R292 PolarHBondContact O-N 3.25Å; R292-L326 HydrophobicContact CB-CD2 3.72Å; R292-C330 HydrophobicContact CB-CB 4.27Å; R292-C330 WeakPolarHBondContact CD-O 3.38Å; R292-C330 PolarHBondContact NH1-O 3.27Å; R292-T332 VanDerWaalsContact CZ-OG1 3.3Å; R292-T332 PolarHBondContact NH1-O 3.19Å; R292-T332 PolarHBondContact NH1-OG1 2.96Å; R292-T332 PolarHBondContact NH2-OG1 2.69Å; R292-C333 PolarHBondContact NH2-O 3.35Å |
| 293 | C | 81.9 | Confident | 62.9 | Low | 50 Ų | 50 | 95.2 Ų | 95.2 | 34% | 0.338 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -2.8 | -170.3 | 71.1 | 0 | 0 | 0 | 0 | 114.5 | C290 R295 C330 | C290-C293 VanDerWaalsContact CB-SG 3.59Å; C290-C293 PolarHBondContact O-N 2.9Å; C290-C293 PolarHBondContact SG-SG 2.06Å; C293-R295 PolarHBondContact O-N 3.09Å; C293-C330 VanDerWaalsContact SG-SG 3.69Å |
| 294 | R | 80.6 | Confident | 63.2 | Low | 177 Ų | 177 | 98.5 Ų | 98.5 | 67% | 0.668 | 53% | 0.53 | S | S | * | . | trans | 56.8 | 8 | -179.4 | -60.3 | -173.9 | -179.9 | -129.5 | 9.4 | 116.5 | I289 C290 | I289-R294 HydrophobicContact CG2-CB 4.29Å; C290-R294 VanDerWaalsContact O-CA 3.31Å; C290-R294 WeakPolarHBondContact O-CA 3.3Å; C290-R294 PolarHBondContact O-N 3.08Å | ||
| 295 | R | 79 | Confident | 63.1 | Low | 190 Ų | 190 | 101.2 Ų | 101.2 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -77.2 | 152.3 | 168.9 | -60.9 | -178.7 | -177.9 | 173.7 | -1 | 110.2 | C290 C293 | C290-R295 WeakPolarHBondContact CB-O 2.97Å; C290-R295 PolarHBondContact N-O 3.05Å; C293-R295 PolarHBondContact O-N 3.09Å |
| 296 | S | 77.2 | Confident | 62.7 | Low | 81 Ų | 81 | 98.8 Ų | 98.8 | 57% | 0.566 | 55% | 0.546 | S | S | * | . | B | Isolated β-bridge | trans | -58.2 | 138.7 | 172.5 | -47.2 | 0 | 0 | 0 | 0 | 110.7 | N288 F298 H327 | N288-S296 WeakPolarHBondContact O-CA 3.37Å; S296-F298 VanDerWaalsContact CB-O 3.28Å; S296-F298 WeakPolarHBondContact CB-O 3.28Å; S296-H327 PolarHBondContact O-NE2 3.25Å |
| 297 | L | 71.7 | Confident | 61.7 | Low | 15 Ų | 15 | 98.7 Ų | 98.7 | 8% | 0.079 | 54% | 0.544 | C | S | . | . | S | Bend | trans | -82.3 | -24.1 | 179.7 | -70.3 | 157.9 | 0 | 0 | 0 | 113 | N288 C290 V315 K325 L326 | N288-L297 PolarHBondContact O-N 3.39Å; C290-L297 HydrophobicContact CB-CD2 3.62Å; C290-L297 HydrophobicContact CB-CG 4Å; L297-V315 HydrophobicContact CB-CG2 4.12Å; L297-V315 HydrophobicContact CD2-CG1 4.21Å; L297-V315 HydrophobicContact CD2-CG2 4.19Å; L297-K325 HydrophobicContact CD1-CB 3.27Å; L297-K325 HydrophobicContact CD1-CD 4.17Å; L297-K325 HydrophobicContact CD1-CG 4.34Å; L297-L326 VanDerWaalsContact CD2-C 3.42Å |
| 298 | F | 66.7 | Low | 60.5 | Low | 107 Ų | 107 | 99 Ų | 99 | 47% | 0.469 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -126.8 | 142.9 | 170.8 | -68.2 | -91.5 | 0 | 0 | 0 | 107.5 | S296 V315 | S296-F298 VanDerWaalsContact CB-O 3.28Å; S296-F298 WeakPolarHBondContact CB-O 3.28Å; F298-V315 HydrophobicContact CE2-CG2 4.16Å; F298-V315 HydrophobicContact CZ-CG2 4.29Å |
| 299 | P | 54.3 | Low | 59.3 | Low | 94 Ų | 94 | 101.3 Ų | 101.3 | 61% | 0.61 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -63 | 152.9 | 158.1 | 31.5 | -34 | 0 | 0 | 0 | 109 | E301 | P299-E301 PolarHBondContact O-N 3.46Š|
| 300 | P | 50.5 | Low | 57.6 | Low | 101 Ų | 101 | 104.4 Ų | 104.4 | 66% | 0.656 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 134.9 | 168.4 | 28.5 | -33.4 | 0 | 0 | 0 | 109.5 | G302 T303 | P300-G302 PolarHBondContact O-N 2.89Å; P300-T303 PolarHBondContact O-N 3.35Å; P300-T303 PolarHBondContact O-OG1 3.12Å; P300-T303 VanDerWaalsContact O-OG1 3.05Å |
| 301 | E | 43.6 | Very low | 56.1 | Low | 205 Ų | 205 | 107.9 Ų | 107.9 | 96% | 0.958 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 118.2 | 174.9 | -63.9 | -178.3 | -160.5 | 0 | 0 | 108.8 | P299 | P299-E301 PolarHBondContact O-N 3.46Š|
| 302 | G | 47.4 | Very low | 55 | Low | 66 Ų | 66 | 112.1 Ų | 112.1 | 68% | 0.68 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.2 | -9.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P300 T304 | P300-G302 PolarHBondContact O-N 2.89Å; G302-T304 VanDerWaalsContact C-N 3.25Å; G302-T304 PolarHBondContact O-N 3.01Å |
| 303 | T | 44.7 | Very low | 53.9 | Low | 95 Ų | 95 | 114.3 Ų | 114.3 | 58% | 0.583 | 66% | 0.659 | S | S | * | * | trans | -84.2 | 64 | 177.3 | -24.2 | 0 | 0 | 0 | 0 | 111.5 | P300 L305 | P300-T303 PolarHBondContact O-N 3.35Å; P300-T303 PolarHBondContact O-OG1 3.12Å; P300-T303 VanDerWaalsContact O-OG1 3.05Å; T303-L305 PolarHBondContact O-N 2.99Å | ||
| 304 | T | 38.5 | Very low | 53.4 | Low | 130 Ų | 130 | 116.2 Ų | 116.2 | 80% | 0.798 | 67% | 0.665 | S | S | * | * | trans | -77.9 | 73.9 | -175.9 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | G302 | G302-T304 VanDerWaalsContact C-N 3.25Å; G302-T304 PolarHBondContact O-N 3.01Å | ||
| 305 | L | 42.1 | Very low | 53.1 | Low | 162 Ų | 162 | 109.6 Ų | 109.6 | 85% | 0.848 | 64% | 0.644 | S | S | * | * | trans | -127.9 | 129.8 | 167.5 | -72.7 | 175.6 | 0 | 0 | 0 | 110.4 | T303 | T303-L305 PolarHBondContact O-N 2.99Š| ||
| 306 | S | 34.8 | Very low | 52.8 | Low | 137 Ų | 137 | 102.2 Ų | 102.2 | 96% | 0.958 | 62% | 0.62 | S | S | * | * | trans | -72.9 | 137.5 | -168 | -170.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 307 | G | 32.5 | Very low | 52.7 | Low | 59 Ų | 59 | 102 Ų | 102 | 61% | 0.608 | 62% | 0.616 | S | S | * | * | trans | 176 | 91.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | I309 | G307-I309 WeakPolarHBondContact O-CG1 3.35Å; G307-I309 PolarHBondContact O-N 3.14Å | ||
| 308 | S | 35.1 | Very low | 52.6 | Low | 121 Ų | 121 | 101.8 Ų | 101.8 | 85% | 0.846 | 62% | 0.615 | S | S | * | * | trans | -49.2 | 113.1 | -169.9 | -172.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 309 | I | 44.8 | Very low | 52.5 | Low | 137 Ų | 137 | 103.1 Ų | 103.1 | 70% | 0.703 | 63% | 0.632 | S | S | * | * | trans | -154.8 | 132.6 | 162.8 | 14 | 171.8 | 0 | 0 | 0 | 111.3 | G307 S311 | G307-I309 WeakPolarHBondContact O-CG1 3.35Å; G307-I309 PolarHBondContact O-N 3.14Å; I309-S311 VanDerWaalsContact C-N 3.29Å; I309-S311 PolarHBondContact O-N 2.81Å; I309-S311 PolarHBondContact O-OG 2.81Å | ||
| 310 | N | 43.2 | Very low | 52.9 | Low | 150 Ų | 150 | 100.7 Ų | 100.7 | 80% | 0.802 | 62% | 0.624 | S | S | * | * | trans | -71.1 | 72.9 | -176.3 | -62.8 | -16.5 | 0 | 0 | 0 | 112.3 | T312 | N310-T312 PolarHBondContact O-N 2.86Š| ||
| 311 | S | 50.4 | Low | 52.9 | Low | 73 Ų | 73 | 100.7 Ų | 100.7 | 51% | 0.51 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -90.4 | 0.5 | -156.1 | -60.2 | 0 | 0 | 0 | 0 | 116.4 | I309 N313 | I309-S311 VanDerWaalsContact C-N 3.29Å; I309-S311 PolarHBondContact O-N 2.81Å; I309-S311 PolarHBondContact O-OG 2.81Å; S311-N313 PolarHBondContact O-N 2.82Å |
| 312 | T | 55.9 | Low | 53.8 | Low | 116 Ų | 116 | 95.8 Ų | 95.8 | 71% | 0.712 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -74.6 | -22.9 | -172.2 | 44.8 | 0 | 0 | 0 | 0 | 115.4 | N310 | N310-T312 PolarHBondContact O-N 2.86Š|
| 313 | N | 57.4 | Low | 54.8 | Low | 135 Ų | 135 | 95.2 Ų | 95.2 | 72% | 0.722 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -110.1 | 9.2 | -166.5 | -66.6 | -21.3 | 0 | 0 | 0 | 115.3 | S311 V315 | S311-N313 PolarHBondContact O-N 2.82Å; N313-V315 PolarHBondContact O-N 3.19Å |
| 314 | N | 70.6 | Confident | 56.3 | Low | 89 Ų | 89 | 91.7 Ų | 91.7 | 48% | 0.476 | 59% | 0.585 | S | S | . | * | trans | -89 | 14.5 | -166.8 | -74.6 | -37.3 | 0 | 0 | 0 | 116 | H327 V328 | N314-H327 CarbonylContact O-C 3.51Å; N314-H327 VanDerWaalsContact O-CA 3.3Å; N314-H327 WeakPolarHBondContact O-CA 3.33Å; N314-V328 PolarHBondContact O-N 2.72Å | ||
| 315 | V | 73.9 | Confident | 58.3 | Low | 38 Ų | 38 | 87.7 Ų | 87.7 | 23% | 0.23 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.9 | -176.1 | 179.1 | 0 | 0 | 0 | 0 | 112 | L297 F298 N313 K325 L326 | L297-V315 HydrophobicContact CB-CG2 4.12Å; L297-V315 HydrophobicContact CD2-CG1 4.21Å; L297-V315 HydrophobicContact CD2-CG2 4.19Å; F298-V315 HydrophobicContact CE2-CG2 4.16Å; F298-V315 HydrophobicContact CZ-CG2 4.29Å; N313-V315 PolarHBondContact O-N 3.19Å; V315-K325 HydrophobicContact CG1-CB 4.18Å; V315-L326 CarbonylContact C-O 3.48Å; V315-L326 WeakPolarHBondContact CA-O 3.19Å |
| 316 | V | 74.4 | Confident | 60.2 | Low | 35 Ų | 35 | 80 Ų | 80 | 21% | 0.212 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.5 | 168.7 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | L318 K325 L326 V328 F331 | V316-L318 HydrophobicContact CG1-CD2 3.78Å; V316-L318 HydrophobicContact CG1-CG 4.43Å; V316-K325 WeakPolarHBondContact O-CA 3.45Å; V316-L326 PolarHBondContact N-O 2.86Å; V316-L326 PolarHBondContact O-N 3.06Å; V316-V328 HydrophobicContact CG2-CB 4.3Å; V316-V328 HydrophobicContact CG2-CG2 3.7Å; V316-F331 HydrophobicContact CG1-CG 4.47Å; V316-F331 HydrophobicContact CG2-CB 4.39Å |
| 317 | T | 74.9 | Confident | 62.6 | Low | 76 Ų | 76 | 75.5 Ų | 75.5 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.1 | 168.6 | -59.8 | 0 | 0 | 0 | 0 | 108.8 | T319 K325 | T317-T319 PolarHBondContact O-N 2.76Å; T317-K325 HydrophobicContact CG2-CG 4.21Å |
| 318 | L | 69.8 | Low | 64.9 | Low | 11 Ų | 11 | 76.4 Ų | 76.4 | 6% | 0.058 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 88.6 | 177.4 | -63 | -178.2 | 0 | 0 | 0 | 110 | V316 G320 V324 L326 F331 Y345 L352 | V316-L318 HydrophobicContact CG1-CD2 3.78Å; V316-L318 HydrophobicContact CG1-CG 4.43Å; L318-G320 PolarHBondContact O-N 3Å; L318-V324 HydrophobicContact CB-CG2 4.1Å; L318-V324 HydrophobicContact CD1-CG2 4.08Å; L318-V324 HydrophobicContact CG-CG2 4.49Å; L318-V324 PolarHBondContact N-O 3.07Å; L318-L326 HydrophobicContact CD1-CD1 3.4Å; L318-L326 HydrophobicContact CG-CD1 3.9Å; L318-F331 HydrophobicContact CD1-CD2 4.36Å; L318-F331 HydrophobicContact CD1-CE2 4.02Å; L318-F331 HydrophobicContact CD2-CD2 4.24Å; L318-F331 HydrophobicContact CD2-CE2 3.68Å; L318-F331 HydrophobicContact CD2-CZ 4.03Å; L318-F331 HydrophobicContact CG-CE2 4.45Å; L318-Y345 HydrophobicContact CD1-CE2 4.05Å; L318-Y345 HydrophobicContact CD2-CE1 4.02Å; L318-L352 HydrophobicContact CD1-CD1 4.45Å |
| 319 | T | 63.5 | Low | 67.2 | Low | 135 Ų | 135 | 74.8 Ų | 74.8 | 83% | 0.828 | 47% | 0.467 | S | S | * | . | trans | -63.3 | 116.5 | 173.3 | -50.3 | 0 | 0 | 0 | 0 | 110.1 | T317 | T317-T319 PolarHBondContact O-N 2.76Š| ||
| 320 | G | 62.4 | Low | 69 | Low | 44 Ų | 44 | 69 Ų | 69 | 45% | 0.454 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 156.2 | -172.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L318 L322 G323 | L318-G320 PolarHBondContact O-N 3Å; G320-L322 PolarHBondContact O-N 3.03Å; G320-G323 PolarHBondContact O-N 3.05Å |
| 321 | A | 52.1 | Low | 71 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 84% | 0.835 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 0.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 322 | L | 61.8 | Low | 72.7 | Confident | 101 Ų | 101 | 60.4 Ų | 60.4 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -19.9 | 179.2 | -64.5 | 171.5 | 0 | 0 | 0 | 113.8 | G320 V324 H347 | G320-L322 PolarHBondContact O-N 3.03Å; L322-V324 HydrophobicContact CB-CG1 4.13Å; L322-V324 HydrophobicContact CB-CG2 4.17Å; L322-V324 WeakPolarHBondContact O-CG1 3.26Å; L322-V324 PolarHBondContact O-N 3.44Å; L322-H347 HydrophobicContact CD1-CB 4.42Å; L322-H347 WeakPolarHBondContact CD1-CE1 3.25Å; L322-H347 VanDerWaalsContact CD1-ND1 3.33Å; L322-H347 WeakPolarHBondContact CD1-ND1 3.17Å |
| 323 | G | 68.5 | Low | 74.1 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | trans | 54.9 | 24.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G320 | G320-G323 PolarHBondContact O-N 3.05Š| ||
| 324 | V | 75.5 | Confident | 75.2 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 13% | 0.133 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 139.1 | -169.2 | -71.2 | 0 | 0 | 0 | 0 | 112.9 | F291 L318 L322 L326 | F291-V324 HydrophobicContact CB-CB 4Å; F291-V324 HydrophobicContact CB-CG1 4.28Å; F291-V324 HydrophobicContact CD1-CG2 4.5Å; F291-V324 HydrophobicContact CD2-CB 4.09Å; F291-V324 HydrophobicContact CD2-CG1 3.45Å; F291-V324 VanDerWaalsContact CD2-CG1 3.45Å; F291-V324 HydrophobicContact CE2-CG1 3.88Å; F291-V324 HydrophobicContact CG-CB 4.01Å; F291-V324 HydrophobicContact CG-CG1 3.89Å; F291-V324 HydrophobicContact CG-CG2 4.31Å; L318-V324 HydrophobicContact CB-CG2 4.1Å; L318-V324 HydrophobicContact CD1-CG2 4.08Å; L318-V324 HydrophobicContact CG-CG2 4.49Å; L318-V324 PolarHBondContact N-O 3.07Å; L322-V324 HydrophobicContact CB-CG1 4.13Å; L322-V324 HydrophobicContact CB-CG2 4.17Å; L322-V324 WeakPolarHBondContact O-CG1 3.26Å; L322-V324 PolarHBondContact O-N 3.44Å; V324-L326 HydrophobicContact CG2-CD1 4.44Å |
| 325 | K | 80.2 | Confident | 75.4 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 20% | 0.2 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 143.6 | 172.8 | -54 | -176.6 | -158 | 160.3 | 0 | 111.3 | Q287 N288 F291 L297 V315 V316 T317 | Q287-K325 VanDerWaalsContact O-CD 3.24Å; Q287-K325 WeakPolarHBondContact O-CD 3.2Å; Q287-K325 WeakPolarHBondContact O-CE 3.35Å; Q287-K325 PolarHBondContact O-NZ 3.26Å; N288-K325 PolarHBondContact OD1-NZ 3.26Å; F291-K325 PolarHBondContact N-O 2.87Å; L297-K325 HydrophobicContact CD1-CB 3.27Å; L297-K325 HydrophobicContact CD1-CD 4.17Å; L297-K325 HydrophobicContact CD1-CG 4.34Å; V315-K325 HydrophobicContact CG1-CB 4.18Å; V316-K325 WeakPolarHBondContact O-CA 3.45Å; T317-K325 HydrophobicContact CG2-CG 4.21Å |
| 326 | L | 83.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 155.3 | -177.6 | -74.3 | 132.5 | 0 | 0 | 0 | 110 | F291 R292 L297 V315 V316 L318 V324 C330 F331 L352 | F291-L326 HydrophobicContact CB-CD2 4.08Å; F291-L326 HydrophobicContact CB-CG 4.04Å; R292-L326 HydrophobicContact CB-CD2 3.72Å; L297-L326 VanDerWaalsContact CD2-C 3.42Å; V315-L326 CarbonylContact C-O 3.48Å; V315-L326 WeakPolarHBondContact CA-O 3.19Å; V316-L326 PolarHBondContact N-O 2.86Å; V316-L326 PolarHBondContact O-N 3.06Å; L318-L326 HydrophobicContact CD1-CD1 3.4Å; L318-L326 HydrophobicContact CG-CD1 3.9Å; V324-L326 HydrophobicContact CG2-CD1 4.44Å; L326-C330 HydrophobicContact CD2-CB 4.18Å; L326-F331 HydrophobicContact CD1-CD2 4.47Å; L326-L352 HydrophobicContact CD1-CD1 3.95Å; L326-L352 HydrophobicContact CD2-CD1 4.24Å |
| 327 | H | 84.6 | Confident | 76.1 | Confident | 42 Ų | 42 | 58 Ų | 58 | 19% | 0.194 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 150.3 | 161.6 | -53 | 117.1 | 0 | 0 | 0 | 110.2 | S296 N314 A329 C330 F331 | S296-H327 PolarHBondContact O-NE2 3.25Å; N314-H327 CarbonylContact O-C 3.51Å; N314-H327 VanDerWaalsContact O-CA 3.3Å; N314-H327 WeakPolarHBondContact O-CA 3.33Å; H327-A329 VanDerWaalsContact C-N 3.3Å; H327-A329 PolarHBondContact O-N 2.83Å; H327-C330 HydrophobicContact CB-CB 3.98Å; H327-C330 CarbonylContact O-C 3.49Å; H327-C330 WeakPolarHBondContact O-CA 3.37Å; H327-C330 WeakPolarHBondContact O-CB 3.41Å; H327-C330 PolarHBondContact O-N 2.94Å; H327-F331 PolarHBondContact O-N 3.32Å; H327-F331 VanDerWaalsContact O-N 3.14Å |
| 328 | V | 81.4 | Confident | 76.5 | Confident | 78 Ų | 78 | 56.4 Ų | 56.4 | 47% | 0.473 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -51.6 | -49.8 | 170 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | N314 V316 C330 F331 | N314-V328 PolarHBondContact O-N 2.72Å; V316-V328 HydrophobicContact CG2-CB 4.3Å; V316-V328 HydrophobicContact CG2-CG2 3.7Å; V328-C330 PolarHBondContact O-N 3.34Å; V328-C330 VanDerWaalsContact O-N 3.12Å; V328-F331 PolarHBondContact O-N 2.86Å |
| 329 | A | 81.9 | Confident | 77.2 | Confident | 87 Ų | 87 | 61.3 Ų | 61.3 | 72% | 0.719 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -65 | -13.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H327 | H327-A329 VanDerWaalsContact C-N 3.3Å; H327-A329 PolarHBondContact O-N 2.83Å |
| 330 | C | 83.8 | Confident | 78.2 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -93.3 | -12.5 | 173 | -73 | 0 | 0 | 0 | 0 | 113.1 | R292 C293 L326 H327 V328 T332 | R292-C330 HydrophobicContact CB-CB 4.27Å; R292-C330 WeakPolarHBondContact CD-O 3.38Å; R292-C330 PolarHBondContact NH1-O 3.27Å; C293-C330 VanDerWaalsContact SG-SG 3.69Å; L326-C330 HydrophobicContact CD2-CB 4.18Å; H327-C330 HydrophobicContact CB-CB 3.98Å; H327-C330 CarbonylContact O-C 3.49Å; H327-C330 WeakPolarHBondContact O-CA 3.37Å; H327-C330 WeakPolarHBondContact O-CB 3.41Å; H327-C330 PolarHBondContact O-N 2.94Å; V328-C330 PolarHBondContact O-N 3.34Å; V328-C330 VanDerWaalsContact O-N 3.12Å; C330-T332 PolarHBondContact O-N 2.8Å |
| 331 | F | 85.8 | Confident | 78.9 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 7% | 0.07 | 37% | 0.367 | C | S | . | . | trans | -84.1 | 56.4 | 178.3 | -170.7 | -120.2 | 0 | 0 | 0 | 111.6 | V316 L318 L326 H327 V328 L340 Y345 L352 | V316-F331 HydrophobicContact CG1-CG 4.47Å; V316-F331 HydrophobicContact CG2-CB 4.39Å; L318-F331 HydrophobicContact CD1-CD2 4.36Å; L318-F331 HydrophobicContact CD1-CE2 4.02Å; L318-F331 HydrophobicContact CD2-CD2 4.24Å; L318-F331 HydrophobicContact CD2-CE2 3.68Å; L318-F331 HydrophobicContact CD2-CZ 4.03Å; L318-F331 HydrophobicContact CG-CE2 4.45Å; L326-F331 HydrophobicContact CD1-CD2 4.47Å; H327-F331 PolarHBondContact O-N 3.32Å; H327-F331 VanDerWaalsContact O-N 3.14Å; V328-F331 PolarHBondContact O-N 2.86Å; F331-L340 HydrophobicContact CD1-CB 3.95Å; F331-L340 WeakPolarHBondContact CD1-O 3.39Å; F331-L340 HydrophobicContact CD2-CB 4.29Å; F331-L340 HydrophobicContact CD2-CD1 4.28Å; F331-L340 HydrophobicContact CE1-CB 3.62Å; F331-L340 WeakPolarHBondContact CE1-O 3.32Å; F331-L340 HydrophobicContact CE2-CB 3.96Å; F331-L340 HydrophobicContact CE2-CD1 4.12Å; F331-L340 HydrophobicContact CG-CB 4.28Å; F331-L340 HydrophobicContact CZ-CB 3.62Å; F331-L340 PolarHBondContact O-N 3Å; F331-Y345 AromaticContact CE2-CD1 3.99Å; F331-Y345 HydrophobicContact CE2-CD1 3.99Å; F331-Y345 HydrophobicContact CE2-CE1 4.28Å; F331-Y345 HydrophobicContact CE2-CG 4.17Å; F331-Y345 AromaticContact CZ-CD1 3.71Å; F331-Y345 HydrophobicContact CZ-CD1 3.71Å; F331-Y345 HydrophobicContact CZ-CE1 4.14Å; F331-Y345 HydrophobicContact CZ-CG 4.22Å; F331-L352 HydrophobicContact CD2-CD1 3.8Å; F331-L352 HydrophobicContact CE2-CD1 4.15Å | ||
| 332 | T | 86 | Confident | 79.7 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 15% | 0.153 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -116.4 | 168.2 | 176.5 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | R292 C330 A337 A338 L340 | R292-T332 VanDerWaalsContact CZ-OG1 3.3Å; R292-T332 PolarHBondContact NH1-O 3.19Å; R292-T332 PolarHBondContact NH1-OG1 2.96Å; R292-T332 PolarHBondContact NH2-OG1 2.69Å; C330-T332 PolarHBondContact O-N 2.8Å; T332-A337 VanDerWaalsContact CB-O 3.24Å; T332-A337 WeakPolarHBondContact CB-O 3.48Å; T332-A337 WeakPolarHBondContact CG2-O 3.46Å; T332-A338 CarbonylContact C-O 3.57Å; T332-A338 WeakPolarHBondContact CA-O 3.32Å; T332-A338 WeakPolarHBondContact CB-O 3.29Å; T332-L340 VanDerWaalsContact O-CD1 3.31Å; T332-L340 WeakPolarHBondContact O-CD1 3.17Å |
| 333 | C | 84.3 | Confident | 80 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -65.6 | 148.9 | 171.4 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | R292 R335 C336 A338 L340 L352 C354 C357 | R292-C333 PolarHBondContact NH2-O 3.35Å; C333-R335 VanDerWaalsContact C-N 3.32Å; C333-R335 PolarHBondContact SG-N 3.06Å; C333-C336 WeakPolarHBondContact CB-SG 3.33Å; C333-A338 PolarHBondContact N-O 2.85Å; C333-L340 HydrophobicContact CB-CD2 4.21Å; C333-L352 CarbonylContact C-O 3.54Å; C333-C354 HydrophobicContact CB-CB 4.09Å; C333-C354 PolarHBondContact SG-N 3.5Å; C333-C357 PolarHBondContact SG-SG 3.5Å | ||
| 334 | Y | 81.3 | Confident | 79.9 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 48% | 0.475 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -70.4 | -25.1 | 169 | -177.9 | -102.6 | 0 | 0 | 0 | 113.4 | R351 L352 | Y334-R351 HydrophobicContact CD1-CB 4.42Å; Y334-R351 HydrophobicContact CD1-CG 4.1Å; Y334-R351 HydrophobicContact CD2-CG 4Å; Y334-R351 HydrophobicContact CE1-CG 4.44Å; Y334-R351 VanDerWaalsContact CE1-CZ 3.48Å; Y334-R351 HydrophobicContact CE2-CG 4.37Å; Y334-R351 HydrophobicContact CG-CB 4.06Å; Y334-R351 HydrophobicContact CG-CG 3.87Å; Y334-R351 PolarHBondContact OH-NH2 2.9Å; Y334-L352 PolarHBondContact N-O 3.43Å |
| 335 | R | 74 | Confident | 80 | Confident | 104 Ų | 104 | 63.4 Ų | 63.4 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -96.4 | -63.8 | -176.5 | -70.6 | -174.5 | 175.4 | 175 | -0.8 | 114 | C333 L353 C357 G361 | C333-R335 VanDerWaalsContact C-N 3.32Å; C333-R335 PolarHBondContact SG-N 3.06Å; R335-L353 HydrophobicContact CG-CD2 4.14Å; R335-C357 PolarHBondContact NH1-O 3Å; R335-G361 PolarHBondContact NH1-O 2.99Å; R335-G361 PolarHBondContact NH2-O 3.06Å |
| 336 | C | 81.6 | Confident | 79.6 | Confident | 69 Ų | 69 | 66 Ų | 66 | 47% | 0.466 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -89.5 | 1.7 | -174.9 | 64.2 | 0 | 0 | 0 | 0 | 114.3 | C333 A338 C357 | C333-C336 WeakPolarHBondContact CB-SG 3.33Å; C336-A338 PolarHBondContact O-N 2.71Å; C336-C357 PolarHBondContact SG-SG 3.44Å |
| 337 | A | 82.3 | Confident | 79.2 | Confident | 69 Ų | 69 | 68.8 Ų | 68.8 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | trans | 54.4 | -0.1 | -174 | 0 | 0 | 0 | 0 | 0 | 117 | T332 | T332-A337 VanDerWaalsContact CB-O 3.24Å; T332-A337 WeakPolarHBondContact CB-O 3.48Å; T332-A337 WeakPolarHBondContact CG2-O 3.46Å | ||
| 338 | A | 83.3 | Confident | 78.3 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 36% | 0.355 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 146.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | T332 C333 C336 | T332-A338 CarbonylContact C-O 3.57Å; T332-A338 WeakPolarHBondContact CA-O 3.32Å; T332-A338 WeakPolarHBondContact CB-O 3.29Å; C333-A338 PolarHBondContact N-O 2.85Å; C336-A338 PolarHBondContact O-N 2.71Å |
| 339 | P | 84.3 | Confident | 77.5 | Confident | 113 Ų | 113 | 74 Ų | 74 | 73% | 0.734 | 41% | 0.41 | S | S | * | . | B | Isolated β-bridge | trans | -58.1 | 139.2 | 173.6 | 25.9 | -34.4 | 0 | 0 | 0 | 111.1 | ||
| 340 | L | 83 | Confident | 76.7 | Confident | 15 Ų | 15 | 76 Ų | 76 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 155.8 | 174.4 | -65.6 | 169.3 | 0 | 0 | 0 | 109.8 | F331 T332 C333 L352 C354 | F331-L340 HydrophobicContact CD1-CB 3.95Å; F331-L340 WeakPolarHBondContact CD1-O 3.39Å; F331-L340 HydrophobicContact CD2-CB 4.29Å; F331-L340 HydrophobicContact CD2-CD1 4.28Å; F331-L340 HydrophobicContact CE1-CB 3.62Å; F331-L340 WeakPolarHBondContact CE1-O 3.32Å; F331-L340 HydrophobicContact CE2-CB 3.96Å; F331-L340 HydrophobicContact CE2-CD1 4.12Å; F331-L340 HydrophobicContact CG-CB 4.28Å; F331-L340 HydrophobicContact CZ-CB 3.62Å; F331-L340 PolarHBondContact O-N 3Å; T332-L340 VanDerWaalsContact O-CD1 3.31Å; T332-L340 WeakPolarHBondContact O-CD1 3.17Å; C333-L340 HydrophobicContact CB-CD2 4.21Å; L340-L352 HydrophobicContact CD1-CB 3.42Å; L340-L352 VanDerWaalsContact CD1-CB 3.42Å; L340-L352 HydrophobicContact CD1-CD1 4.2Å; L340-L352 HydrophobicContact CD1-CG 4.43Å; L340-C354 HydrophobicContact CD2-CB 3.55Å |
| 341 | K | 77.8 | Confident | 76.2 | Confident | 152 Ų | 152 | 81.2 Ų | 81.2 | 66% | 0.661 | 42% | 0.416 | S | S | * | . | B | Isolated β-bridge | trans | -92.8 | 142.6 | 168.7 | -62.6 | -171.1 | 176.6 | -169.8 | 0 | 108.7 | D343 A344 | K341-D343 PolarHBondContact O-N 3.15Å; K341-A344 PolarHBondContact O-N 3.45Å |
| 342 | S | 69.1 | Low | 75.9 | Confident | 81 Ų | 81 | 80.7 Ų | 80.7 | 57% | 0.566 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -39.3 | 173.7 | 34.2 | 0 | 0 | 0 | 0 | 112.2 | Y345 | S342-Y345 WeakPolarHBondContact O-CE1 3.24Š|
| 343 | D | 68 | Low | 75.5 | Confident | 141 Ų | 141 | 79.8 Ų | 79.8 | 75% | 0.754 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -10.4 | -165.9 | -16.6 | -53.6 | 0 | 0 | 0 | 112.8 | K341 | K341-D343 PolarHBondContact O-N 3.15Š|
| 344 | A | 66.7 | Low | 75.3 | Confident | 43 Ų | 43 | 80.7 Ų | 80.7 | 36% | 0.355 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -154 | 86.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K341 P355 | K341-A344 PolarHBondContact O-N 3.45Å; A344-P355 HydrophobicContact CB-CG 3.69Å; A344-P355 VanDerWaalsContact O-CD 3.24Å; A344-P355 WeakPolarHBondContact O-CD 3.35Å; A344-P355 VanDerWaalsContact O-CG 3.22Å; A344-P355 WeakPolarHBondContact O-CG 3.24Å |
| 345 | Y | 77.2 | Confident | 75.1 | Confident | 69 Ų | 69 | 77.2 Ų | 77.2 | 27% | 0.271 | 41% | 0.407 | S | S | . | . | trans | -142.3 | 158.2 | 168 | 67 | -85.9 | 0 | 0 | 0 | 110.2 | L318 F331 S342 L352 | L318-Y345 HydrophobicContact CD1-CE2 4.05Å; L318-Y345 HydrophobicContact CD2-CE1 4.02Å; F331-Y345 AromaticContact CE2-CD1 3.99Å; F331-Y345 HydrophobicContact CE2-CD1 3.99Å; F331-Y345 HydrophobicContact CE2-CE1 4.28Å; F331-Y345 HydrophobicContact CE2-CG 4.17Å; F331-Y345 AromaticContact CZ-CD1 3.71Å; F331-Y345 HydrophobicContact CZ-CD1 3.71Å; F331-Y345 HydrophobicContact CZ-CE1 4.14Å; F331-Y345 HydrophobicContact CZ-CG 4.22Å; S342-Y345 WeakPolarHBondContact O-CE1 3.24Å; Y345-L352 HydrophobicContact CD2-CD2 4.01Å; Y345-L352 HydrophobicContact CE2-CD2 4.19Å | ||
| 346 | Y | 72.1 | Confident | 75.1 | Confident | 102 Ų | 102 | 73.9 Ų | 73.9 | 40% | 0.4 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 148.2 | 174 | -68.2 | -106.1 | 0 | 0 | 0 | 109.9 | L352 L353 V358 | Y346-L352 CarbonylContact O-C 3.5Å; Y346-L352 WeakPolarHBondContact O-CA 3.3Å; Y346-L353 PolarHBondContact N-O 2.96Å; Y346-L353 PolarHBondContact O-N 2.95Å; Y346-V358 HydrophobicContact CD1-CG1 4.22Å; Y346-V358 HydrophobicContact CD1-CG2 4.46Å; Y346-V358 HydrophobicContact CD2-CB 4.12Å; Y346-V358 HydrophobicContact CD2-CG1 4.22Å; Y346-V358 HydrophobicContact CD2-CG2 3.6Å; Y346-V358 HydrophobicContact CE1-CG1 4.2Å; Y346-V358 HydrophobicContact CE2-CB 4.29Å; Y346-V358 HydrophobicContact CE2-CG1 4.19Å; Y346-V358 HydrophobicContact CE2-CG2 4.27Å; Y346-V358 HydrophobicContact CG-CB 4.44Å; Y346-V358 HydrophobicContact CG-CG1 4.23Å; Y346-V358 HydrophobicContact CG-CG2 3.71Å |
| 347 | H | 73.6 | Confident | 74.7 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 26% | 0.264 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 113 | -177.8 | -177.3 | 115.7 | 0 | 0 | 0 | 111 | F291 L322 L352 | F291-H347 AromaticContact CE1-CE1 3.3Å; F291-H347 WeakPolarHBondContact CE1-CE1 3.39Å; F291-H347 AromaticContact CZ-CE1 3.25Å; F291-H347 WeakPolarHBondContact CZ-CE1 3.1Å; F291-H347 AromaticContact CZ-NE2 3.79Å; L322-H347 HydrophobicContact CD1-CB 4.42Å; L322-H347 WeakPolarHBondContact CD1-CE1 3.25Å; L322-H347 VanDerWaalsContact CD1-ND1 3.33Å; L322-H347 WeakPolarHBondContact CD1-ND1 3.17Å; H347-L352 HydrophobicContact CB-CD2 4.33Å |
| 348 | N | 65.7 | Low | 74.2 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 33% | 0.332 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 116.3 | 174.1 | -69.3 | -9.6 | 0 | 0 | 0 | 109.3 | R350 R351 L353 A362 | N348-R350 PolarHBondContact O-N 2.79Å; N348-R351 PolarHBondContact N-O 3.44Å; N348-R351 WeakPolarHBondContact O-CA 3.22Å; N348-R351 VanDerWaalsContact O-CB 3.3Å; N348-R351 WeakPolarHBondContact O-CB 2.96Å; N348-R351 PolarHBondContact O-N 2.98Å; N348-L353 HydrophobicContact CB-CD1 4.1Å; N348-A362 PolarHBondContact ND2-O 2.91Å |
| 349 | L | 64.9 | Low | 73.5 | Confident | 168 Ų | 168 | 74.7 Ų | 74.7 | 88% | 0.88 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 56.9 | 170.1 | -60.1 | 173.7 | 0 | 0 | 0 | 114.4 | R351 | L349-R351 PolarHBondContact O-N 3.15Š|
| 350 | R | 64.9 | Low | 72.6 | Confident | 128 Ų | 128 | 73.8 Ų | 73.8 | 48% | 0.483 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 2.3 | -173.8 | -51.9 | -167.3 | 159.6 | -109.6 | -0.9 | 117.2 | F291 N348 | F291-R350 HydrophobicContact CE1-CB 3.9Å; F291-R350 HydrophobicContact CE1-CG 4.22Å; F291-R350 HydrophobicContact CE2-CG 4.02Å; F291-R350 HydrophobicContact CZ-CB 3.74Å; F291-R350 HydrophobicContact CZ-CG 3.54Å; F291-R350 PolarHBondContact O-NH1 3.29Å; N348-R350 PolarHBondContact O-N 2.79Å |
| 351 | R | 74.5 | Confident | 71.5 | Confident | 127 Ų | 127 | 73.1 Ų | 73.1 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.8 | 174.6 | -60.9 | 173.8 | 172.1 | 179.8 | -4 | 109.9 | Y334 N348 L349 | Y334-R351 HydrophobicContact CD1-CB 4.42Å; Y334-R351 HydrophobicContact CD1-CG 4.1Å; Y334-R351 HydrophobicContact CD2-CG 4Å; Y334-R351 HydrophobicContact CE1-CG 4.44Å; Y334-R351 VanDerWaalsContact CE1-CZ 3.48Å; Y334-R351 HydrophobicContact CE2-CG 4.37Å; Y334-R351 HydrophobicContact CG-CB 4.06Å; Y334-R351 HydrophobicContact CG-CG 3.87Å; Y334-R351 PolarHBondContact OH-NH2 2.9Å; N348-R351 PolarHBondContact N-O 3.44Å; N348-R351 WeakPolarHBondContact O-CA 3.22Å; N348-R351 VanDerWaalsContact O-CB 3.3Å; N348-R351 WeakPolarHBondContact O-CB 2.96Å; N348-R351 PolarHBondContact O-N 2.98Å; L349-R351 PolarHBondContact O-N 3.15Å |
| 352 | L | 79.3 | Confident | 70.5 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 134.6 | 171.4 | -55.3 | 176.9 | 0 | 0 | 0 | 109.4 | L318 L326 F331 C333 Y334 L340 Y345 Y346 H347 | L318-L352 HydrophobicContact CD1-CD1 4.45Å; L326-L352 HydrophobicContact CD1-CD1 3.95Å; L326-L352 HydrophobicContact CD2-CD1 4.24Å; F331-L352 HydrophobicContact CD2-CD1 3.8Å; F331-L352 HydrophobicContact CE2-CD1 4.15Å; C333-L352 CarbonylContact C-O 3.54Å; Y334-L352 PolarHBondContact N-O 3.43Å; L340-L352 HydrophobicContact CD1-CB 3.42Å; L340-L352 VanDerWaalsContact CD1-CB 3.42Å; L340-L352 HydrophobicContact CD1-CD1 4.2Å; L340-L352 HydrophobicContact CD1-CG 4.43Å; Y345-L352 HydrophobicContact CD2-CD2 4.01Å; Y345-L352 HydrophobicContact CE2-CD2 4.19Å; Y346-L352 CarbonylContact O-C 3.5Å; Y346-L352 WeakPolarHBondContact O-CA 3.3Å; H347-L352 HydrophobicContact CB-CD2 4.33Å |
| 353 | L | 77.8 | Confident | 70.2 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.037 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135.2 | -167.2 | -69.1 | 157.8 | 0 | 0 | 0 | 110.7 | R335 Y346 N348 V358 A362 | R335-L353 HydrophobicContact CG-CD2 4.14Å; Y346-L353 PolarHBondContact N-O 2.96Å; Y346-L353 PolarHBondContact O-N 2.95Å; N348-L353 HydrophobicContact CB-CD1 4.1Å; L353-V358 HydrophobicContact CB-CG2 3.76Å; L353-A362 HydrophobicContact CB-CB 4.3Å; L353-A362 HydrophobicContact CD1-CB 3.68Å; L353-A362 HydrophobicContact CD2-CB 3.74Å; L353-A362 HydrophobicContact CG-CB 4.09Å |
| 354 | C | 80.9 | Confident | 70.2 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | trans | -79.5 | 153.1 | -176.2 | 90.3 | 0 | 0 | 0 | 0 | 112.4 | C333 L340 A356 C357 V358 | C333-C354 HydrophobicContact CB-CB 4.09Å; C333-C354 PolarHBondContact SG-N 3.5Å; L340-C354 HydrophobicContact CD2-CB 3.55Å; C354-A356 VanDerWaalsContact C-N 3.27Å; C354-A356 PolarHBondContact O-N 3.22Å; C354-C357 HydrophobicContact CB-CB 4.04Å; C354-C357 WeakPolarHBondContact CB-SG 3.31Å; C354-C357 CarbonylContact O-C 3.28Å; C354-C357 WeakPolarHBondContact O-CA 3.32Å; C354-C357 VanDerWaalsContact O-CB 3.25Å; C354-C357 WeakPolarHBondContact O-CB 3.41Å; C354-C357 PolarHBondContact O-N 2.84Å; C354-C357 VanDerWaalsContact O-N 3.09Å; C354-C357 WeakPolarHBondContact SG-CB 3.46Å; C354-C357 PolarHBondContact SG-N 3.23Å; C354-C357 CovalentContact SG-SG 2.06Å; C354-C357 PolarHBondContact SG-SG 2.84Å; C354-V358 WeakPolarHBondContact O-CG2 3.37Å; C354-V358 PolarHBondContact O-N 2.98Å | ||
| 355 | P | 75.1 | Confident | 70.7 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -29.1 | -179.4 | -25 | 34.7 | 0 | 0 | 0 | 114.5 | A344 R359 | A344-P355 HydrophobicContact CB-CG 3.69Å; A344-P355 VanDerWaalsContact O-CD 3.24Å; A344-P355 WeakPolarHBondContact O-CD 3.35Å; A344-P355 VanDerWaalsContact O-CG 3.22Å; A344-P355 WeakPolarHBondContact O-CG 3.24Å; P355-R359 VanDerWaalsContact O-CG 3.28Å; P355-R359 WeakPolarHBondContact O-CG 3.4Å; P355-R359 PolarHBondContact O-N 3.05Å; P355-R359 PolarHBondContact O-NE 2.99Å |
| 356 | A | 75.4 | Confident | 71.1 | Confident | 35 Ų | 35 | 61.3 Ų | 61.3 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.7 | -65.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | C354 V358 R359 D360 | C354-A356 VanDerWaalsContact C-N 3.27Å; C354-A356 PolarHBondContact O-N 3.22Å; A356-V358 CarbonylContact O-C 3.44Å; A356-V358 PolarHBondContact O-N 3.5Å; A356-R359 CarbonylContact O-C 3.58Å; A356-R359 WeakPolarHBondContact O-CA 3.25Å; A356-R359 WeakPolarHBondContact O-CB 3.3Å; A356-R359 PolarHBondContact O-N 3.4Å; A356-D360 PolarHBondContact O-N 2.89Å; A356-D360 VanDerWaalsContact O-OD1 3.1Å |
| 357 | C | 73.8 | Confident | 71.7 | Confident | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -42.9 | -30.7 | 179 | -46 | 0 | 0 | 0 | 0 | 116.5 | C333 R335 C336 C354 D360 G361 A362 | C333-C357 PolarHBondContact SG-SG 3.5Å; R335-C357 PolarHBondContact NH1-O 3Å; C336-C357 PolarHBondContact SG-SG 3.44Å; C354-C357 HydrophobicContact CB-CB 4.04Å; C354-C357 WeakPolarHBondContact CB-SG 3.31Å; C354-C357 CarbonylContact O-C 3.28Å; C354-C357 WeakPolarHBondContact O-CA 3.32Å; C354-C357 VanDerWaalsContact O-CB 3.25Å; C354-C357 WeakPolarHBondContact O-CB 3.41Å; C354-C357 PolarHBondContact O-N 2.84Å; C354-C357 VanDerWaalsContact O-N 3.09Å; C354-C357 WeakPolarHBondContact SG-CB 3.46Å; C354-C357 PolarHBondContact SG-N 3.23Å; C354-C357 CovalentContact SG-SG 2.06Å; C354-C357 PolarHBondContact SG-SG 2.84Å; C357-D360 VanDerWaalsContact CA-OD2 3.26Å; C357-D360 WeakPolarHBondContact CA-OD2 3.19Å; C357-D360 PolarHBondContact N-OD2 2.86Å; C357-D360 CarbonylContact O-C 3.58Å; C357-G361 PolarHBondContact O-N 3.48Å; C357-A362 VanDerWaalsContact O-CB 3.3Å; C357-A362 WeakPolarHBondContact O-CB 3.3Å; C357-A362 PolarHBondContact O-N 2.77Å |
| 358 | V | 71.3 | Confident | 72.3 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 13% | 0.127 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -80.4 | -44.3 | 175.8 | 173.4 | 0 | 0 | 0 | 0 | 112 | Y346 L353 C354 A356 D360 G361 A362 V363 | Y346-V358 HydrophobicContact CD1-CG1 4.22Å; Y346-V358 HydrophobicContact CD1-CG2 4.46Å; Y346-V358 HydrophobicContact CD2-CB 4.12Å; Y346-V358 HydrophobicContact CD2-CG1 4.22Å; Y346-V358 HydrophobicContact CD2-CG2 3.6Å; Y346-V358 HydrophobicContact CE1-CG1 4.2Å; Y346-V358 HydrophobicContact CE2-CB 4.29Å; Y346-V358 HydrophobicContact CE2-CG1 4.19Å; Y346-V358 HydrophobicContact CE2-CG2 4.27Å; Y346-V358 HydrophobicContact CG-CB 4.44Å; Y346-V358 HydrophobicContact CG-CG1 4.23Å; Y346-V358 HydrophobicContact CG-CG2 3.71Å; L353-V358 HydrophobicContact CB-CG2 3.76Å; C354-V358 WeakPolarHBondContact O-CG2 3.37Å; C354-V358 PolarHBondContact O-N 2.98Å; A356-V358 CarbonylContact O-C 3.44Å; A356-V358 PolarHBondContact O-N 3.5Å; V358-D360 PolarHBondContact O-N 2.85Å; V358-G361 WeakPolarHBondContact O-CA 3.49Å; V358-G361 PolarHBondContact O-N 3.07Å; V358-A362 HydrophobicContact CB-CB 4.42Å; V358-A362 HydrophobicContact CG2-CB 3.92Å; V358-A362 PolarHBondContact O-N 3.45Å; V358-V363 HydrophobicContact CG1-CG2 4.37Å |
| 359 | R | 68.3 | Low | 73.3 | Confident | 172 Ų | 172 | 57.7 Ų | 57.7 | 65% | 0.649 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.3 | -35.7 | 166.5 | -63.4 | 174.5 | -57.1 | 170.9 | 13.8 | 111.2 | P355 A356 G361 G374 | P355-R359 VanDerWaalsContact O-CG 3.28Å; P355-R359 WeakPolarHBondContact O-CG 3.4Å; P355-R359 PolarHBondContact O-N 3.05Å; P355-R359 PolarHBondContact O-NE 2.99Å; A356-R359 CarbonylContact O-C 3.58Å; A356-R359 WeakPolarHBondContact O-CA 3.25Å; A356-R359 WeakPolarHBondContact O-CB 3.3Å; A356-R359 PolarHBondContact O-N 3.4Å; R359-G361 PolarHBondContact O-N 3.18Å; R359-G374 CarbonylContact O-C 3.55Å; R359-G374 VanDerWaalsContact O-C 3.28Å; R359-G374 WeakPolarHBondContact O-CA 3.43Å |
| 360 | D | 64.3 | Low | 74.2 | Confident | 94 Ų | 94 | 57 Ų | 57 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 8.5 | 171.3 | -36.6 | -29.2 | 0 | 0 | 0 | 112.2 | A356 C357 V358 | A356-D360 PolarHBondContact O-N 2.89Å; A356-D360 VanDerWaalsContact O-OD1 3.1Å; C357-D360 VanDerWaalsContact CA-OD2 3.26Å; C357-D360 WeakPolarHBondContact CA-OD2 3.19Å; C357-D360 PolarHBondContact N-OD2 2.86Å; C357-D360 CarbonylContact O-C 3.58Å; V358-D360 PolarHBondContact O-N 2.85Å |
| 361 | G | 60.2 | Low | 74.5 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.9 | 49.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | R335 C357 V358 R359 V363 P372 I373 | R335-G361 PolarHBondContact NH1-O 2.99Å; R335-G361 PolarHBondContact NH2-O 3.06Å; C357-G361 PolarHBondContact O-N 3.48Å; V358-G361 WeakPolarHBondContact O-CA 3.49Å; V358-G361 PolarHBondContact O-N 3.07Å; R359-G361 PolarHBondContact O-N 3.18Å; G361-V363 VanDerWaalsContact C-N 3.32Å; G361-P372 WeakPolarHBondContact O-CB 3.28Å; G361-I373 WeakPolarHBondContact CA-O 3.48Å |
| 362 | A | 56.5 | Low | 74.4 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 7% | 0.066 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -90.4 | 13.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | N348 L353 C357 V358 | N348-A362 PolarHBondContact ND2-O 2.91Å; L353-A362 HydrophobicContact CB-CB 4.3Å; L353-A362 HydrophobicContact CD1-CB 3.68Å; L353-A362 HydrophobicContact CD2-CB 3.74Å; L353-A362 HydrophobicContact CG-CB 4.09Å; C357-A362 VanDerWaalsContact O-CB 3.3Å; C357-A362 WeakPolarHBondContact O-CB 3.3Å; C357-A362 PolarHBondContact O-N 2.77Å; V358-A362 HydrophobicContact CB-CB 4.42Å; V358-A362 HydrophobicContact CG2-CB 3.92Å; V358-A362 PolarHBondContact O-N 3.45Å |
| 363 | V | 64 | Low | 74 | Confident | 108 Ų | 108 | 56.1 Ų | 56.1 | 66% | 0.655 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -102.3 | -49.5 | 177.4 | -169 | 0 | 0 | 0 | 0 | 111.1 | V358 G361 | V358-V363 HydrophobicContact CG1-CG2 4.37Å; G361-V363 VanDerWaalsContact C-N 3.32Å |
| 364 | E | 67.9 | Low | 73.2 | Confident | 69 Ų | 69 | 57.2 Ų | 57.2 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | trans | -124.7 | 149.6 | -178.2 | -64.7 | -175.8 | 145.6 | 0 | 0 | 112.5 | I373 H379 P384 | E364-I373 PolarHBondContact O-N 3.46Å; E364-H379 VanDerWaalsContact CD-NE2 3.34Å; E364-H379 IonicContact OE1-CD2 3.9Å; E364-H379 IonicContact OE1-CE1 3.92Å; E364-H379 IonicContact OE1-NE2 2.96Å; E364-H379 PolarHBondContact OE1-NE2 3.2Å; E364-H379 IonicContact OE2-CE1 3.5Å; E364-H379 PolarHBondContact OE2-CE1 3.45Å; E364-H379 IonicContact OE2-NE2 2.95Å; E364-H379 PolarHBondContact OE2-NE2 2.91Å; E364-P384 HydrophobicContact CB-CB 4.16Å; E364-P384 HydrophobicContact CB-CG 4.11Å; E364-P384 HydrophobicContact CG-CG 4.47Å; E364-P384 WeakPolarHBondContact OE2-CB 3.46Å | ||
| 365 | A | 77.4 | Confident | 72.5 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 44% | 0.438 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -117.2 | 133.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S367 | A365-S367 PolarHBondContact O-N 3.39Å |
| 366 | C | 85.2 | Confident | 72.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -62.7 | 127.2 | -177.5 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | N368 C369 H370 R371 I373 P384 H386 | C366-N368 PolarHBondContact O-N 3.44Å; C366-C369 PolarHBondContact O-N 3.03Å; C366-H370 WeakPolarHBondContact O-CA 3.31Å; C366-H370 PolarHBondContact O-N 3.36Å; C366-R371 WeakPolarHBondContact CB-O 3.36Å; C366-R371 PolarHBondContact N-O 3.23Å; C366-I373 HydrophobicContact CB-CD1 3.9Å; C366-I373 HydrophobicContact CB-CG1 3.76Å; C366-P384 WeakPolarHBondContact CA-O 3.32Å; C366-H386 WeakPolarHBondContact CB-CE1 3.33Å; C366-H386 WeakPolarHBondContact CB-ND1 3.13Å; C366-H386 PolarHBondContact SG-N 2.78Å; C366-H386 PolarHBondContact SG-ND1 3.21Å; C366-H386 VanDerWaalsContact SG-ND1 3.36Å | ||
| 367 | S | 85.6 | Confident | 72.6 | Confident | 31 Ų | 31 | 72 Ų | 72 | 22% | 0.217 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -15.2 | -173.6 | -51 | 0 | 0 | 0 | 0 | 113.3 | A365 H370 P384 | A365-S367 PolarHBondContact O-N 3.39Å; S367-H370 PolarHBondContact O-CE1 2.73Å; S367-H370 VanDerWaalsContact O-CE1 3.32Å; S367-P384 PolarHBondContact N-O 2.87Å; S367-P384 PolarHBondContact OG-O 3.37Å |
| 368 | N | 86.1 | Confident | 73.1 | Confident | 70 Ų | 70 | 73.5 Ų | 73.5 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -42.4 | 176.8 | -172.1 | 12 | 0 | 0 | 0 | 113 | C366 Y385 C389 | C366-N368 PolarHBondContact O-N 3.44Å; N368-Y385 HydrophobicContact CB-CD1 3.84Å; N368-Y385 HydrophobicContact CB-CE1 3.99Å; N368-C389 HydrophobicContact CB-CB 4.23Å; N368-C389 PolarHBondContact ND2-O 3.18Å |
| 369 | C | 86.5 | Confident | 73.7 | Confident | 44 Ų | 44 | 77.6 Ų | 77.6 | 30% | 0.297 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -0.7 | -174.5 | 73.4 | 0 | 0 | 0 | 0 | 114.9 | C366 R371 H386 | C366-C369 PolarHBondContact O-N 3.03Å; C369-R371 PolarHBondContact O-N 3.4Å; C369-H386 VanDerWaalsContact SG-CE1 3.5Å; C369-H386 PolarHBondContact SG-ND1 2.84Å; C369-H386 VanDerWaalsContact SG-ND1 3.39Å |
| 370 | H | 82.6 | Confident | 74.5 | Confident | 152 Ų | 152 | 69.8 Ų | 69.8 | 70% | 0.704 | 37% | 0.365 | S | S | * | . | trans | 55.9 | 12.3 | -179.1 | -49.1 | -44.6 | 0 | 0 | 0 | 115.9 | C366 S367 | C366-H370 WeakPolarHBondContact O-CA 3.31Å; C366-H370 PolarHBondContact O-N 3.36Å; S367-H370 PolarHBondContact O-CE1 2.73Å; S367-H370 VanDerWaalsContact O-CE1 3.32Å | ||
| 371 | R | 72 | Confident | 75.4 | Confident | 181 Ų | 181 | 68.8 Ų | 68.8 | 68% | 0.683 | 36% | 0.36 | S | S | * | . | trans | -88.8 | 152.2 | 174.7 | -66.1 | 179.9 | -174.6 | -167.3 | 1.2 | 111.5 | C366 C369 H386 | C366-R371 WeakPolarHBondContact CB-O 3.36Å; C366-R371 PolarHBondContact N-O 3.23Å; C369-R371 PolarHBondContact O-N 3.4Å; R371-H386 PolarHBondContact O-CE1 3.18Å | ||
| 372 | P | 72 | Confident | 76.5 | Confident | 50 Ų | 50 | 72.1 Ų | 72.1 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -56.3 | 144.8 | 174 | 22.5 | -35.5 | 0 | 0 | 0 | 114.8 | G361 H386 | G361-P372 WeakPolarHBondContact O-CB 3.28Å; P372-H386 PolarHBondContact O-CE1 2.92Å; P372-H386 PolarHBondContact O-NE2 2.93Å |
| 373 | I | 70.2 | Confident | 77.7 | Confident | 11 Ų | 11 | 76.3 Ų | 76.3 | 6% | 0.056 | 41% | 0.413 | C | S | . | . | trans | -107.2 | 110.1 | 175.1 | -56.1 | 157.4 | 0 | 0 | 0 | 109.9 | G361 E364 C366 R376 V377 P384 | G361-I373 WeakPolarHBondContact CA-O 3.48Å; E364-I373 PolarHBondContact O-N 3.46Å; C366-I373 HydrophobicContact CB-CD1 3.9Å; C366-I373 HydrophobicContact CB-CG1 3.76Å; I373-R376 WeakPolarHBondContact CG2-O 2.93Å; I373-V377 HydrophobicContact CD1-CB 4.42Å; I373-V377 HydrophobicContact CD1-CG2 4.01Å; I373-V377 HydrophobicContact CG2-CB 3.78Å; I373-P384 HydrophobicContact CD1-CB 3.83Å | ||
| 374 | G | 61.7 | Low | 78.7 | Confident | 30 Ų | 30 | 72 Ų | 72 | 31% | 0.309 | 39% | 0.388 | S | S | . | . | trans | -84.6 | -83 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R359 | R359-G374 CarbonylContact O-C 3.55Å; R359-G374 VanDerWaalsContact O-C 3.28Å; R359-G374 WeakPolarHBondContact O-CA 3.43Å | ||
| 375 | D | 66.7 | Low | 79.6 | Confident | 159 Ų | 159 | 69.2 Ų | 69.2 | 85% | 0.85 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -78.2 | -35.7 | -163.4 | -43.8 | -85 | 0 | 0 | 0 | 114.4 | ||
| 376 | R | 73.3 | Confident | 80 | Confident | 197 Ų | 197 | 68.6 Ų | 68.6 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | trans | -146.3 | 122.8 | -174.4 | -60.5 | -171.5 | -170.7 | -160.6 | 5.3 | 110.7 | I373 P387 | I373-R376 WeakPolarHBondContact CG2-O 2.93Å; R376-P387 HydrophobicContact CB-CG 4.36Å; R376-P387 VanDerWaalsContact O-CD 3.22Å; R376-P387 WeakPolarHBondContact O-CD 3.47Å | ||
| 377 | V | 78.1 | Confident | 80 | Confident | 57 Ų | 57 | 70 Ų | 70 | 35% | 0.345 | 37% | 0.372 | S | S | . | . | trans | -105.1 | 142.9 | 169.7 | 52.4 | 0 | 0 | 0 | 0 | 110.2 | I373 H379 P384 Y385 | I373-V377 HydrophobicContact CD1-CB 4.42Å; I373-V377 HydrophobicContact CD1-CG2 4.01Å; I373-V377 HydrophobicContact CG2-CB 3.78Å; V377-H379 VanDerWaalsContact CG1-CE1 3.4Å; V377-H379 WeakPolarHBondContact CG1-CE1 3.36Å; V377-P384 HydrophobicContact CG2-CB 3.61Å; V377-Y385 WeakPolarHBondContact CA-O 3.25Å | ||
| 378 | V | 84.5 | Confident | 80.1 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 21% | 0.212 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 113.5 | 163.2 | 179.3 | 0 | 0 | 0 | 0 | 106.8 | Y385 P387 F390 | V378-Y385 PolarHBondContact N-O 2.88Å; V378-Y385 PolarHBondContact O-N 2.87Å; V378-P387 HydrophobicContact CG2-CB 4.08Å; V378-F390 HydrophobicContact CG1-CD1 3.9Å; V378-F390 HydrophobicContact CG1-CD2 4.3Å; V378-F390 HydrophobicContact CG1-CE1 4.19Å; V378-F390 HydrophobicContact CG1-CG 3.98Å |
| 379 | H | 85.6 | Confident | 80.2 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 118.7 | 172.1 | -66.4 | 99.9 | 0 | 0 | 0 | 109.5 | E364 V377 M383 | E364-H379 VanDerWaalsContact CD-NE2 3.34Å; E364-H379 IonicContact OE1-CD2 3.9Å; E364-H379 IonicContact OE1-CE1 3.92Å; E364-H379 IonicContact OE1-NE2 2.96Å; E364-H379 PolarHBondContact OE1-NE2 3.2Å; E364-H379 IonicContact OE2-CE1 3.5Å; E364-H379 PolarHBondContact OE2-CE1 3.45Å; E364-H379 IonicContact OE2-NE2 2.95Å; E364-H379 PolarHBondContact OE2-NE2 2.91Å; V377-H379 VanDerWaalsContact CG1-CE1 3.4Å; V377-H379 WeakPolarHBondContact CG1-CE1 3.36Å; H379-M383 WeakPolarHBondContact CA-O 3.16Å |
| 380 | A | 83.8 | Confident | 80.5 | Confident | 7 Ų | 7 | 70.9 Ų | 70.9 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 126.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G382 M383 Y385 F390 F404 | A380-G382 PolarHBondContact O-N 2.95Å; A380-M383 PolarHBondContact N-O 2.88Å; A380-M383 PolarHBondContact O-N 3.36Å; A380-Y385 HydrophobicContact CB-CD2 4.12Å; A380-Y385 HydrophobicContact CB-CE2 4.01Å; A380-F390 HydrophobicContact CB-CD2 4.23Å; A380-F390 HydrophobicContact CB-CE2 3.37Å; A380-F390 HydrophobicContact CB-CZ 3.78Å; A380-F404 HydrophobicContact CB-CE2 3.96Å; A380-F404 HydrophobicContact CB-CZ 3.87Å |
| 381 | L | 83.7 | Confident | 80.9 | Confident | 73 Ų | 73 | 65.2 Ų | 65.2 | 38% | 0.382 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 34.7 | -176.8 | -53.3 | 174.4 | 0 | 0 | 0 | 113.5 | V98 M383 F404 I406 | V98-L381 HydrophobicContact CB-CD2 4.29Å; V98-L381 HydrophobicContact CG2-CD2 3.61Å; L381-M383 PolarHBondContact O-N 3.11Å; L381-F404 HydrophobicContact CD1-CE2 4.17Å; L381-F404 HydrophobicContact CG-CE2 4.07Å; L381-I406 HydrophobicContact CD1-CB 4.27Å; L381-I406 HydrophobicContact CD1-CD1 3.81Å; L381-I406 HydrophobicContact CD1-CG1 3.69Å; L381-I406 HydrophobicContact CD1-CG2 3.81Å |
| 382 | G | 82.2 | Confident | 81.9 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 74% | 0.742 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -4.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A380 | A380-G382 PolarHBondContact O-N 2.95Š|
| 383 | M | 83.4 | Confident | 82.8 | Confident | 96 Ų | 96 | 57.8 Ų | 57.8 | 47% | 0.473 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.3 | -177 | -61.9 | -62.8 | -82 | 0 | 0 | 111.1 | H379 A380 L381 Y385 | H379-M383 WeakPolarHBondContact CA-O 3.16Å; A380-M383 PolarHBondContact N-O 2.88Å; A380-M383 PolarHBondContact O-N 3.36Å; L381-M383 PolarHBondContact O-N 3.11Å; M383-Y385 HydrophobicContact CB-CE2 3.74Å; M383-Y385 VanDerWaalsContact O-CD2 3.25Å; M383-Y385 WeakPolarHBondContact O-CD2 3.45Å; M383-Y385 VanDerWaalsContact O-CE2 3.32Å; M383-Y385 WeakPolarHBondContact O-CE2 3.49Å |
| 384 | P | 85.2 | Confident | 83.8 | Confident | 19 Ų | 19 | 61 Ų | 61 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 142.2 | 179.4 | 32.9 | -35 | 0 | 0 | 0 | 112.3 | E364 C366 S367 I373 V377 | E364-P384 HydrophobicContact CB-CB 4.16Å; E364-P384 HydrophobicContact CB-CG 4.11Å; E364-P384 HydrophobicContact CG-CG 4.47Å; E364-P384 WeakPolarHBondContact OE2-CB 3.46Å; C366-P384 WeakPolarHBondContact CA-O 3.32Å; S367-P384 PolarHBondContact N-O 2.87Å; S367-P384 PolarHBondContact OG-O 3.37Å; I373-P384 HydrophobicContact CD1-CB 3.83Å; V377-P384 HydrophobicContact CG2-CB 3.61Å |
| 385 | Y | 86.6 | Confident | 85.2 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 4% | 0.039 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.1 | 177.7 | -59.9 | -90.5 | 0 | 0 | 0 | 111.7 | N368 V377 V378 A380 M383 F390 L412 | N368-Y385 HydrophobicContact CB-CD1 3.84Å; N368-Y385 HydrophobicContact CB-CE1 3.99Å; V377-Y385 WeakPolarHBondContact CA-O 3.25Å; V378-Y385 PolarHBondContact N-O 2.88Å; V378-Y385 PolarHBondContact O-N 2.87Å; A380-Y385 HydrophobicContact CB-CD2 4.12Å; A380-Y385 HydrophobicContact CB-CE2 4.01Å; M383-Y385 HydrophobicContact CB-CE2 3.74Å; M383-Y385 VanDerWaalsContact O-CD2 3.25Å; M383-Y385 WeakPolarHBondContact O-CD2 3.45Å; M383-Y385 VanDerWaalsContact O-CE2 3.32Å; M383-Y385 WeakPolarHBondContact O-CE2 3.49Å; Y385-F390 HydrophobicContact CD2-CD2 4.18Å; Y385-F390 HydrophobicContact CG-CD2 4.25Å; Y385-L412 HydrophobicContact CD1-CD1 3.93Å; Y385-L412 HydrophobicContact CE1-CD1 3.63Å; Y385-L412 HydrophobicContact CE1-CG 4.2Å; Y385-L412 HydrophobicContact CE2-CD1 4.44Å; Y385-L412 HydrophobicContact CG-CD1 4.46Å |
| 386 | H | 84.4 | Confident | 86.4 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 18% | 0.181 | 34% | 0.336 | C | S | . | . | trans | -69.8 | 148.1 | 160 | -57.1 | 99.7 | 0 | 0 | 0 | 109.9 | C366 C369 R371 P372 N388 C389 F390 | C366-H386 WeakPolarHBondContact CB-CE1 3.33Å; C366-H386 WeakPolarHBondContact CB-ND1 3.13Å; C366-H386 PolarHBondContact SG-N 2.78Å; C366-H386 PolarHBondContact SG-ND1 3.21Å; C366-H386 VanDerWaalsContact SG-ND1 3.36Å; C369-H386 VanDerWaalsContact SG-CE1 3.5Å; C369-H386 PolarHBondContact SG-ND1 2.84Å; C369-H386 VanDerWaalsContact SG-ND1 3.39Å; R371-H386 PolarHBondContact O-CE1 3.18Å; P372-H386 PolarHBondContact O-CE1 2.92Å; P372-H386 PolarHBondContact O-NE2 2.93Å; H386-N388 PolarHBondContact O-N 2.84Å; H386-C389 HydrophobicContact CB-CB 3.97Å; H386-C389 CarbonylContact O-C 3.57Å; H386-C389 WeakPolarHBondContact O-CA 3.46Å; H386-C389 PolarHBondContact O-N 2.97Å; H386-F390 PolarHBondContact O-N 3.49Å | ||
| 387 | P | 86.8 | Confident | 87.2 | Confident | 31 Ų | 31 | 50 Ų | 50 | 20% | 0.201 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -57.4 | -35 | 172.4 | 23.3 | -34.4 | 0 | 0 | 0 | 112.7 | R376 V378 C389 F390 | R376-P387 HydrophobicContact CB-CG 4.36Å; R376-P387 VanDerWaalsContact O-CD 3.22Å; R376-P387 WeakPolarHBondContact O-CD 3.47Å; V378-P387 HydrophobicContact CG2-CB 4.08Å; P387-C389 VanDerWaalsContact C-N 3.29Å; P387-C389 PolarHBondContact O-N 2.86Å; P387-F390 PolarHBondContact O-N 3.06Å |
| 388 | N | 87 | Confident | 87.8 | Confident | 130 Ų | 130 | 54 Ų | 54 | 70% | 0.695 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -76.5 | -15 | 176.4 | -64.1 | 1.5 | 0 | 0 | 0 | 113.3 | H386 | H386-N388 PolarHBondContact O-N 2.84Š|
| 389 | C | 88.5 | Confident | 88 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -101.3 | -2.9 | 175.9 | -64 | 0 | 0 | 0 | 0 | 112.6 | N368 H386 P387 V391 | N368-C389 HydrophobicContact CB-CB 4.23Å; N368-C389 PolarHBondContact ND2-O 3.18Å; H386-C389 HydrophobicContact CB-CB 3.97Å; H386-C389 CarbonylContact O-C 3.57Å; H386-C389 WeakPolarHBondContact O-CA 3.46Å; H386-C389 PolarHBondContact O-N 2.97Å; P387-C389 VanDerWaalsContact C-N 3.29Å; P387-C389 PolarHBondContact O-N 2.86Å; C389-V391 PolarHBondContact O-N 3.34Å |
| 390 | F | 91.2 | Very high | 87.9 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | trans | -85.5 | 64 | 176.3 | -166.1 | -118.9 | 0 | 0 | 0 | 110.6 | V378 A380 Y385 H386 P387 L399 F404 L412 | V378-F390 HydrophobicContact CG1-CD1 3.9Å; V378-F390 HydrophobicContact CG1-CD2 4.3Å; V378-F390 HydrophobicContact CG1-CE1 4.19Å; V378-F390 HydrophobicContact CG1-CG 3.98Å; A380-F390 HydrophobicContact CB-CD2 4.23Å; A380-F390 HydrophobicContact CB-CE2 3.37Å; A380-F390 HydrophobicContact CB-CZ 3.78Å; Y385-F390 HydrophobicContact CD2-CD2 4.18Å; Y385-F390 HydrophobicContact CG-CD2 4.25Å; H386-F390 PolarHBondContact O-N 3.49Å; P387-F390 PolarHBondContact O-N 3.06Å; F390-L399 HydrophobicContact CD1-CB 3.73Å; F390-L399 VanDerWaalsContact CE1-C 3.5Å; F390-L399 HydrophobicContact CE1-CB 3.44Å; F390-L399 VanDerWaalsContact CE1-CB 3.44Å; F390-L399 HydrophobicContact CE2-CB 4.42Å; F390-L399 HydrophobicContact CG-CB 4.34Å; F390-L399 HydrophobicContact CZ-CB 3.8Å; F390-L399 PolarHBondContact O-N 3.13Å; F390-F404 HydrophobicContact CE1-CE1 4.43Å; F390-F404 HydrophobicContact CE2-CD2 4.4Å; F390-F404 HydrophobicContact CE2-CE2 4.16Å; F390-F404 HydrophobicContact CE2-CZ 4.34Å; F390-F404 AromaticContact CZ-CD1 3.92Å; F390-F404 HydrophobicContact CZ-CD1 3.92Å; F390-F404 HydrophobicContact CZ-CD2 4.1Å; F390-F404 AromaticContact CZ-CE1 3.71Å; F390-F404 HydrophobicContact CZ-CE1 3.71Å; F390-F404 AromaticContact CZ-CE2 3.89Å; F390-F404 HydrophobicContact CZ-CE2 3.89Å; F390-F404 HydrophobicContact CZ-CG 4.13Å; F390-F404 AromaticContact CZ-CZ 3.71Å; F390-F404 HydrophobicContact CZ-CZ 3.71Å; F390-L412 HydrophobicContact CD2-CD1 3.56Å; F390-L412 HydrophobicContact CD2-CD2 4.43Å; F390-L412 HydrophobicContact CE2-CD1 3.87Å; F390-L412 HydrophobicContact CE2-CD2 3.88Å | ||
| 391 | V | 92.5 | Very high | 87.9 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 20% | 0.2 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -126.2 | 153.2 | -173.7 | -65.4 | 0 | 0 | 0 | 0 | 111.1 | C389 G397 R398 | C389-V391 PolarHBondContact O-N 3.34Å; V391-G397 WeakPolarHBondContact CA-O 3.45Å; V391-R398 HydrophobicContact CG1-CG 4.07Å |
| 392 | C | 92.6 | Very high | 87.9 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.014 | 35% | 0.345 | C | S | . | . | trans | -71.6 | 132.9 | 172.6 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | V394 C395 A396 G397 L399 C414 D417 | C392-V394 PolarHBondContact O-N 3.19Å; C392-V394 PolarHBondContact SG-N 3.37Å; C392-C395 VanDerWaalsContact CB-SG 3.57Å; C392-A396 WeakPolarHBondContact O-CA 3.48Å; C392-A396 PolarHBondContact O-N 2.91Å; C392-G397 PolarHBondContact N-O 3.32Å; C392-L399 HydrophobicContact CB-CD2 4.08Å; C392-C414 HydrophobicContact CB-CB 4.24Å; C392-C414 PolarHBondContact SG-N 3.18Å; C392-D417 PolarHBondContact SG-OD2 3.38Å; C392-D417 VanDerWaalsContact SG-OD2 3.32Å | ||
| 393 | V | 90.8 | Very high | 88 | Confident | 74 Ų | 74 | 58.2 Ų | 58.2 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.3 | 176.9 | 176.1 | 0 | 0 | 0 | 0 | 113.6 | R411 L412 | V393-R411 HydrophobicContact CG2-CB 4.21Å; V393-L412 PolarHBondContact N-O 3.49Å |
| 394 | V | 90.6 | Very high | 88.2 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 47% | 0.473 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -59.2 | -179.7 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | C392 D417 | C392-V394 PolarHBondContact O-N 3.19Å; C392-V394 PolarHBondContact SG-N 3.37Å; V394-D417 HydrophobicContact CB-CB 3.93Å; V394-D417 HydrophobicContact CG1-CB 4.05Å; V394-D417 HydrophobicContact CG2-CB 4.29Å |
| 395 | C | 92.8 | Very high | 88.3 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 0.6 | -177.2 | 64.7 | 0 | 0 | 0 | 0 | 115.4 | C392 G397 D417 | C392-C395 VanDerWaalsContact CB-SG 3.57Å; C395-G397 PolarHBondContact O-N 2.92Å; C395-D417 WeakPolarHBondContact CB-OD2 3.18Å; C395-D417 PolarHBondContact SG-OD2 2.92Å |
| 396 | A | 91.1 | Very high | 88.3 | Confident | 76 Ų | 76 | 56.7 Ų | 56.7 | 63% | 0.628 | 32% | 0.32 | S | S | * | . | trans | 55.6 | 1.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | C392 | C392-A396 WeakPolarHBondContact O-CA 3.48Å; C392-A396 PolarHBondContact O-N 2.91Å | ||
| 397 | G | 89.8 | Confident | 88.3 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | trans | -68.6 | 140.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V391 C392 C395 | V391-G397 WeakPolarHBondContact CA-O 3.45Å; C392-G397 PolarHBondContact N-O 3.32Å; C395-G397 PolarHBondContact O-N 2.92Å | ||
| 398 | R | 90.4 | Very high | 88.2 | Confident | 141 Ų | 141 | 60.1 Ų | 60.1 | 53% | 0.532 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -60.4 | 138.2 | 173.3 | -69.3 | 175.9 | 62.5 | 168 | 0.4 | 111 | V391 D400 | V391-R398 HydrophobicContact CG1-CG 4.07Å; R398-D400 IonicContact CZ-OD2 3.39Å; R398-D400 IonicContact NE-OD2 4Å; R398-D400 PolarHBondContact NE-OD2 3.27Å; R398-D400 IonicContact NH2-OD2 2.71Å; R398-D400 PolarHBondContact NH2-OD2 3.4Å |
| 399 | L | 88.7 | Confident | 88 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | trans | -97.8 | -4.3 | -175.3 | -64.6 | 175.2 | 0 | 0 | 0 | 113.4 | F390 C392 S401 R402 F404 L412 C414 | F390-L399 HydrophobicContact CD1-CB 3.73Å; F390-L399 VanDerWaalsContact CE1-C 3.5Å; F390-L399 HydrophobicContact CE1-CB 3.44Å; F390-L399 VanDerWaalsContact CE1-CB 3.44Å; F390-L399 HydrophobicContact CE2-CB 4.42Å; F390-L399 HydrophobicContact CG-CB 4.34Å; F390-L399 HydrophobicContact CZ-CB 3.8Å; F390-L399 PolarHBondContact O-N 3.13Å; C392-L399 HydrophobicContact CB-CD2 4.08Å; L399-S401 PolarHBondContact O-N 3.33Å; L399-R402 PolarHBondContact O-N 3.32Å; L399-R402 VanDerWaalsContact O-N 3.11Å; L399-F404 HydrophobicContact CB-CB 4.32Å; L399-F404 HydrophobicContact CD1-CB 3.95Å; L399-F404 HydrophobicContact CD1-CG 4.47Å; L399-F404 HydrophobicContact CD2-CB 4.01Å; L399-F404 HydrophobicContact CG-CB 4.32Å; L399-L412 HydrophobicContact CD1-CB 3.78Å; L399-L412 HydrophobicContact CD1-CD1 4.38Å; L399-L412 HydrophobicContact CD1-CD2 4.4Å; L399-L412 HydrophobicContact CD1-CG 4.42Å; L399-C414 HydrophobicContact CD2-CB 3.65Å | ||
| 400 | D | 84.7 | Confident | 87.8 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -23 | -176.1 | -55.1 | -56.7 | 0 | 0 | 0 | 115.3 | R398 | R398-D400 IonicContact CZ-OD2 3.39Å; R398-D400 IonicContact NE-OD2 4Å; R398-D400 PolarHBondContact NE-OD2 3.27Å; R398-D400 IonicContact NH2-OD2 2.71Å; R398-D400 PolarHBondContact NH2-OD2 3.4Å |
| 401 | S | 83.3 | Confident | 87.5 | Confident | 110 Ų | 110 | 65.5 Ų | 65.5 | 77% | 0.769 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.9 | 15.9 | -175.6 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | L399 | L399-S401 PolarHBondContact O-N 3.33Š|
| 402 | R | 82.5 | Confident | 87.4 | Confident | 138 Ų | 138 | 64.1 Ų | 64.1 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -129.4 | 142.7 | -175.8 | -67.9 | -177.5 | 174.1 | -171.3 | -1.4 | 110.9 | L399 F404 | L399-R402 PolarHBondContact O-N 3.32Å; L399-R402 VanDerWaalsContact O-N 3.11Å; R402-F404 PolarHBondContact O-N 2.97Å |
| 403 | P | 85.1 | Confident | 87.1 | Confident | 61 Ų | 61 | 64.1 Ų | 64.1 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | trans | -60.6 | 133.3 | 172 | 27.4 | -34.3 | 0 | 0 | 0 | 109.7 | L415 | P403-L415 HydrophobicContact CB-CB 4.07Å; P403-L415 HydrophobicContact CB-CD2 4.04Å; P403-L415 HydrophobicContact CG-CB 4.11Å; P403-L415 HydrophobicContact CG-CD2 4.28Å; P403-L415 WeakPolarHBondContact O-CB 3.43Å; P403-L415 PolarHBondContact O-N 3.09Å | ||
| 404 | F | 88 | Confident | 87.1 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 163.8 | -173.6 | 70.3 | -86.3 | 0 | 0 | 0 | 110.8 | L100 A380 L381 F390 L399 R402 L412 H413 | L100-F404 HydrophobicContact CD1-CE1 4.48Å; A380-F404 HydrophobicContact CB-CE2 3.96Å; A380-F404 HydrophobicContact CB-CZ 3.87Å; L381-F404 HydrophobicContact CD1-CE2 4.17Å; L381-F404 HydrophobicContact CG-CE2 4.07Å; F390-F404 HydrophobicContact CE1-CE1 4.43Å; F390-F404 HydrophobicContact CE2-CD2 4.4Å; F390-F404 HydrophobicContact CE2-CE2 4.16Å; F390-F404 HydrophobicContact CE2-CZ 4.34Å; F390-F404 AromaticContact CZ-CD1 3.92Å; F390-F404 HydrophobicContact CZ-CD1 3.92Å; F390-F404 HydrophobicContact CZ-CD2 4.1Å; F390-F404 AromaticContact CZ-CE1 3.71Å; F390-F404 HydrophobicContact CZ-CE1 3.71Å; F390-F404 AromaticContact CZ-CE2 3.89Å; F390-F404 HydrophobicContact CZ-CE2 3.89Å; F390-F404 HydrophobicContact CZ-CG 4.13Å; F390-F404 AromaticContact CZ-CZ 3.71Å; F390-F404 HydrophobicContact CZ-CZ 3.71Å; L399-F404 HydrophobicContact CB-CB 4.32Å; L399-F404 HydrophobicContact CD1-CB 3.95Å; L399-F404 HydrophobicContact CD1-CG 4.47Å; L399-F404 HydrophobicContact CD2-CB 4.01Å; L399-F404 HydrophobicContact CG-CB 4.32Å; R402-F404 PolarHBondContact O-N 2.97Å; F404-L412 HydrophobicContact CD2-CD2 4.06Å; F404-L412 HydrophobicContact CE2-CD2 4.37Å; F404-H413 CarbonylContact C-O 3.56Å; F404-H413 VanDerWaalsContact CA-O 3.27Å; F404-H413 WeakPolarHBondContact CA-O 3.34Å; F404-H413 WeakPolarHBondContact CB-O 3.46Å |
| 405 | T | 86.2 | Confident | 86.9 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 6% | 0.055 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 168.3 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 110 | H413 F418 | T405-H413 PolarHBondContact N-O 3.19Å; T405-H413 PolarHBondContact O-N 2.96Å; T405-F418 HydrophobicContact CG2-CB 3.74Å; T405-F418 HydrophobicContact CG2-CD1 3.85Å; T405-F418 HydrophobicContact CG2-CD2 3.45Å; T405-F418 VanDerWaalsContact CG2-CD2 3.45Å; T405-F418 HydrophobicContact CG2-CE1 4.34Å; T405-F418 HydrophobicContact CG2-CE2 3.98Å; T405-F418 HydrophobicContact CG2-CG 3.38Å; T405-F418 HydrophobicContact CG2-CZ 4.4Å |
| 406 | I | 86.9 | Confident | 86.6 | Confident | 69 Ų | 69 | 60.7 Ų | 60.7 | 35% | 0.354 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136 | 170.5 | 54 | 177.7 | 0 | 0 | 0 | 110.8 | L381 R411 L412 | L381-I406 HydrophobicContact CD1-CB 4.27Å; L381-I406 HydrophobicContact CD1-CD1 3.81Å; L381-I406 HydrophobicContact CD1-CG1 3.69Å; L381-I406 HydrophobicContact CD1-CG2 3.81Å; I406-R411 WeakPolarHBondContact CA-O 3.27Å; I406-L412 HydrophobicContact CG2-CD2 3.88Å |
| 407 | D | 85.5 | Confident | 86.4 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.053 | 31% | 0.313 | C | S | . | . | trans | -73.7 | 164.3 | 167.6 | 166.6 | 47.3 | 0 | 0 | 0 | 110.3 | H409 G410 R411 H413 Y422 | D407-H409 PolarHBondContact O-N 3.03Å; D407-H409 IonicContact OD2-CD2 3.54Å; D407-H409 PolarHBondContact OD2-CD2 2.91Å; D407-G410 PolarHBondContact O-N 2.85Å; D407-R411 HydrophobicContact CB-CB 4.32Å; D407-R411 PolarHBondContact N-O 3.21Å; D407-R411 IonicContact OD2-CZ 3.91Å; D407-R411 VanDerWaalsContact OD2-CZ 3.23Å; D407-R411 IonicContact OD2-NE 2.77Å; D407-R411 PolarHBondContact OD2-NE 2.99Å; D407-R411 IonicContact OD2-NH2 2.92Å; D407-R411 PolarHBondContact OD2-NH2 3.3Å; D407-H413 VanDerWaalsContact CB-CE1 3.43Å; D407-H413 WeakPolarHBondContact CB-CE1 3.49Å; D407-H413 IonicContact OD2-CE1 3.16Å; D407-Y422 PolarHBondContact OD1-OH 3.49Å | ||
| 408 | V | 83.1 | Confident | 86.3 | Confident | 133 Ų | 133 | 58.2 Ų | 58.2 | 81% | 0.806 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18 | -175.3 | -61.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 409 | H | 83.9 | Confident | 86.1 | Confident | 136 Ų | 136 | 53.5 Ų | 53.5 | 63% | 0.63 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 15.5 | 174.2 | -54.5 | -68.9 | 0 | 0 | 0 | 113.9 | D407 R411 | D407-H409 PolarHBondContact O-N 3.03Å; D407-H409 IonicContact OD2-CD2 3.54Å; D407-H409 PolarHBondContact OD2-CD2 2.91Å; H409-R411 HydrophobicContact CB-CG 4.15Å; H409-R411 PolarHBondContact CD2-NH2 2.82Å; H409-R411 PolarHBondContact O-N 2.89Å |
| 410 | G | 83.2 | Confident | 85.9 | Confident | 43 Ų | 43 | 60.2 Ų | 60.2 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 72 | 11 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | D407 | D407-G410 PolarHBondContact O-N 2.85Š|
| 411 | R | 86.5 | Confident | 85.9 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 36% | 0.362 | 33% | 0.329 | S | S | . | . | trans | -86.1 | 128.1 | -173.1 | -63.8 | -175.9 | -61 | -167.2 | -1.4 | 111.8 | V393 I406 D407 H409 H413 | V393-R411 HydrophobicContact CG2-CB 4.21Å; I406-R411 WeakPolarHBondContact CA-O 3.27Å; D407-R411 HydrophobicContact CB-CB 4.32Å; D407-R411 PolarHBondContact N-O 3.21Å; D407-R411 IonicContact OD2-CZ 3.91Å; D407-R411 VanDerWaalsContact OD2-CZ 3.23Å; D407-R411 IonicContact OD2-NE 2.77Å; D407-R411 PolarHBondContact OD2-NE 2.99Å; D407-R411 IonicContact OD2-NH2 2.92Å; D407-R411 PolarHBondContact OD2-NH2 3.3Å; H409-R411 HydrophobicContact CB-CG 4.15Å; H409-R411 PolarHBondContact CD2-NH2 2.82Å; H409-R411 PolarHBondContact O-N 2.89Å; R411-H413 PolarHBondContact O-N 2.99Å; R411-H413 PolarHBondContact O-ND1 2.94Å | ||
| 412 | L | 89.5 | Confident | 85.9 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 125.6 | 178.2 | -69.5 | 170.8 | 0 | 0 | 0 | 112.4 | Y385 F390 V393 L399 F404 I406 | Y385-L412 HydrophobicContact CD1-CD1 3.93Å; Y385-L412 HydrophobicContact CE1-CD1 3.63Å; Y385-L412 HydrophobicContact CE1-CG 4.2Å; Y385-L412 HydrophobicContact CE2-CD1 4.44Å; Y385-L412 HydrophobicContact CG-CD1 4.46Å; F390-L412 HydrophobicContact CD2-CD1 3.56Å; F390-L412 HydrophobicContact CD2-CD2 4.43Å; F390-L412 HydrophobicContact CE2-CD1 3.87Å; F390-L412 HydrophobicContact CE2-CD2 3.88Å; V393-L412 PolarHBondContact N-O 3.49Å; L399-L412 HydrophobicContact CD1-CB 3.78Å; L399-L412 HydrophobicContact CD1-CD1 4.38Å; L399-L412 HydrophobicContact CD1-CD2 4.4Å; L399-L412 HydrophobicContact CD1-CG 4.42Å; F404-L412 HydrophobicContact CD2-CD2 4.06Å; F404-L412 HydrophobicContact CE2-CD2 4.37Å; I406-L412 HydrophobicContact CG2-CD2 3.88Å |
| 413 | H | 87.6 | Confident | 86 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140.8 | 174.7 | -67.9 | 78.1 | 0 | 0 | 0 | 110.3 | F404 T405 D407 R411 F418 | F404-H413 CarbonylContact C-O 3.56Å; F404-H413 VanDerWaalsContact CA-O 3.27Å; F404-H413 WeakPolarHBondContact CA-O 3.34Å; F404-H413 WeakPolarHBondContact CB-O 3.46Å; T405-H413 PolarHBondContact N-O 3.19Å; T405-H413 PolarHBondContact O-N 2.96Å; D407-H413 VanDerWaalsContact CB-CE1 3.43Å; D407-H413 WeakPolarHBondContact CB-CE1 3.49Å; D407-H413 IonicContact OD2-CE1 3.16Å; R411-H413 PolarHBondContact O-N 2.99Å; R411-H413 PolarHBondContact O-ND1 2.94Å; H413-F418 HydrophobicContact CB-CB 4.06Å; H413-F418 HydrophobicContact CB-CD2 4.32Å |
| 414 | C | 89.3 | Confident | 86 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 149 | 164.1 | 85.9 | 0 | 0 | 0 | 0 | 108.9 | C392 L399 T416 D417 F418 | C392-C414 HydrophobicContact CB-CB 4.24Å; C392-C414 PolarHBondContact SG-N 3.18Å; L399-C414 HydrophobicContact CD2-CB 3.65Å; C414-T416 PolarHBondContact O-N 2.92Å; C414-D417 PolarHBondContact O-N 3.17Å; C414-D417 VanDerWaalsContact SG-CG 3.58Å; C414-D417 PolarHBondContact SG-N 2.86Å; C414-D417 VanDerWaalsContact SG-N 3.4Å; C414-D417 PolarHBondContact SG-OD2 3.48Å; C414-F418 WeakPolarHBondContact O-CB 3.34Å; C414-F418 PolarHBondContact O-N 2.94Å |
| 415 | L | 86.3 | Confident | 86 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -33.6 | -174.1 | -167.6 | 65.8 | 0 | 0 | 0 | 112.1 | V97 P403 F418 H419 | V97-L415 HydrophobicContact CG1-CD2 4.2Å; V97-L415 HydrophobicContact CG2-CD1 4.21Å; P403-L415 HydrophobicContact CB-CB 4.07Å; P403-L415 HydrophobicContact CB-CD2 4.04Å; P403-L415 HydrophobicContact CG-CB 4.11Å; P403-L415 HydrophobicContact CG-CD2 4.28Å; P403-L415 WeakPolarHBondContact O-CB 3.43Å; P403-L415 PolarHBondContact O-N 3.09Å; L415-F418 PolarHBondContact O-N 3.21Å; L415-H419 WeakPolarHBondContact CD1-NE2 3.48Å; L415-H419 WeakPolarHBondContact O-CB 3.42Å; L415-H419 VanDerWaalsContact O-CG 3.22Å; L415-H419 PolarHBondContact O-N 2.87Å |
| 416 | T | 86.1 | Confident | 86.3 | Confident | 107 Ų | 107 | 61.9 Ų | 61.9 | 66% | 0.656 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.9 | -48.7 | 176.4 | -45.2 | 0 | 0 | 0 | 0 | 113 | C414 K420 | C414-T416 PolarHBondContact O-N 2.92Å; T416-K420 VanDerWaalsContact O-CB 3.32Å; T416-K420 WeakPolarHBondContact O-CB 3.32Å; T416-K420 PolarHBondContact O-N 2.83Å |
| 417 | D | 88.2 | Confident | 86.5 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.2 | -37.7 | 178.4 | -71.9 | -42.5 | 0 | 0 | 0 | 111.4 | C392 V394 C395 C414 K420 R421 | C392-D417 PolarHBondContact SG-OD2 3.38Å; C392-D417 VanDerWaalsContact SG-OD2 3.32Å; V394-D417 HydrophobicContact CB-CB 3.93Å; V394-D417 HydrophobicContact CG1-CB 4.05Å; V394-D417 HydrophobicContact CG2-CB 4.29Å; C395-D417 WeakPolarHBondContact CB-OD2 3.18Å; C395-D417 PolarHBondContact SG-OD2 2.92Å; C414-D417 PolarHBondContact O-N 3.17Å; C414-D417 VanDerWaalsContact SG-CG 3.58Å; C414-D417 PolarHBondContact SG-N 2.86Å; C414-D417 VanDerWaalsContact SG-N 3.4Å; C414-D417 PolarHBondContact SG-OD2 3.48Å; D417-K420 PolarHBondContact O-N 3.4Å; D417-R421 PolarHBondContact O-N 2.84Å; D417-R421 VanDerWaalsContact O-N 3.1Å |
| 418 | F | 87.7 | Confident | 86.8 | Confident | 20 Ų | 20 | 64.9 Ų | 64.9 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -51.6 | 174.8 | -174 | -90.9 | 0 | 0 | 0 | 110.8 | I95 T405 H413 C414 L415 K420 R421 Y422 | I95-F418 HydrophobicContact CD1-CE1 3.73Å; I95-F418 HydrophobicContact CD1-CZ 4.06Å; T405-F418 HydrophobicContact CG2-CB 3.74Å; T405-F418 HydrophobicContact CG2-CD1 3.85Å; T405-F418 HydrophobicContact CG2-CD2 3.45Å; T405-F418 VanDerWaalsContact CG2-CD2 3.45Å; T405-F418 HydrophobicContact CG2-CE1 4.34Å; T405-F418 HydrophobicContact CG2-CE2 3.98Å; T405-F418 HydrophobicContact CG2-CG 3.38Å; T405-F418 HydrophobicContact CG2-CZ 4.4Å; H413-F418 HydrophobicContact CB-CB 4.06Å; H413-F418 HydrophobicContact CB-CD2 4.32Å; C414-F418 WeakPolarHBondContact O-CB 3.34Å; C414-F418 PolarHBondContact O-N 2.94Å; L415-F418 PolarHBondContact O-N 3.21Å; F418-K420 VanDerWaalsContact C-N 3.34Å; F418-K420 PolarHBondContact O-N 3.36Å; F418-R421 PolarHBondContact O-N 2.74Å; F418-Y422 HydrophobicContact CD1-CD2 4.35Å; F418-Y422 AromaticContact CD2-CD2 3.44Å; F418-Y422 HydrophobicContact CD2-CD2 3.44Å; F418-Y422 VanDerWaalsContact CD2-CD2 3.44Å; F418-Y422 AromaticContact CD2-CE2 3.67Å; F418-Y422 HydrophobicContact CD2-CE2 3.67Å; F418-Y422 HydrophobicContact CD2-CG 4.4Å; F418-Y422 HydrophobicContact CE1-CD2 4.38Å; F418-Y422 AromaticContact CE2-CD2 3.5Å; F418-Y422 HydrophobicContact CE2-CD2 3.5Å; F418-Y422 AromaticContact CE2-CE2 3.77Å; F418-Y422 HydrophobicContact CE2-CE2 3.77Å; F418-Y422 HydrophobicContact CE2-CG 4.09Å; F418-Y422 AromaticContact CG-CD2 3.89Å; F418-Y422 HydrophobicContact CG-CD2 3.89Å; F418-Y422 HydrophobicContact CG-CE2 4.47Å; F418-Y422 AromaticContact CZ-CD2 3.99Å; F418-Y422 HydrophobicContact CZ-CD2 3.99Å; F418-Y422 HydrophobicContact CZ-CG 4.17Å; F418-Y422 WeakPolarHBondContact O-CD2 3.43Å; F418-Y422 PolarHBondContact O-N 3.21Å |
| 419 | H | 85.6 | Confident | 87.2 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58 | -44 | 174.1 | -73 | 173.3 | 0 | 0 | 0 | 112.2 | L415 R421 A423 V434 P435 | L415-H419 WeakPolarHBondContact CD1-NE2 3.48Å; L415-H419 WeakPolarHBondContact O-CB 3.42Å; L415-H419 VanDerWaalsContact O-CG 3.22Å; L415-H419 PolarHBondContact O-N 2.87Å; H419-R421 PolarHBondContact O-N 2.69Å; H419-A423 HydrophobicContact CB-CB 4.42Å; H419-A423 WeakPolarHBondContact O-CB 3.47Å; H419-A423 PolarHBondContact O-N 3.1Å; H419-V434 HydrophobicContact CB-CG1 3.73Å; H419-P435 VanDerWaalsContact CE1-CD 3.46Å; H419-P435 WeakPolarHBondContact CE1-CD 3.33Å |
| 420 | K | 85.4 | Confident | 87.5 | Confident | 145 Ų | 145 | 56.4 Ų | 56.4 | 63% | 0.63 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.6 | -31.5 | 179.5 | -174 | 176.9 | 178.5 | -178.4 | 0 | 113.4 | T416 D417 F418 R425 | T416-K420 VanDerWaalsContact O-CB 3.32Å; T416-K420 WeakPolarHBondContact O-CB 3.32Å; T416-K420 PolarHBondContact O-N 2.83Å; D417-K420 PolarHBondContact O-N 3.4Å; F418-K420 VanDerWaalsContact C-N 3.34Å; F418-K420 PolarHBondContact O-N 3.36Å; K420-R425 PolarHBondContact O-NH2 3.02Å |
| 421 | R | 83.5 | Confident | 87.7 | Confident | 149 Ų | 149 | 62.9 Ų | 62.9 | 56% | 0.562 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -91 | -44.9 | 179 | 174.1 | 172.6 | -90.1 | -170.8 | -5.7 | 114 | D417 F418 H419 | D417-R421 PolarHBondContact O-N 2.84Å; D417-R421 VanDerWaalsContact O-N 3.1Å; F418-R421 PolarHBondContact O-N 2.74Å; H419-R421 PolarHBondContact O-N 2.69Å |
| 422 | Y | 83.9 | Confident | 87.7 | Confident | 92 Ų | 92 | 60 Ų | 60 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -109.5 | -14.2 | -165.9 | -60.6 | -83.8 | 0 | 0 | 0 | 114.9 | D407 F418 | D407-Y422 PolarHBondContact OD1-OH 3.49Å; F418-Y422 HydrophobicContact CD1-CD2 4.35Å; F418-Y422 AromaticContact CD2-CD2 3.44Å; F418-Y422 HydrophobicContact CD2-CD2 3.44Å; F418-Y422 VanDerWaalsContact CD2-CD2 3.44Å; F418-Y422 AromaticContact CD2-CE2 3.67Å; F418-Y422 HydrophobicContact CD2-CE2 3.67Å; F418-Y422 HydrophobicContact CD2-CG 4.4Å; F418-Y422 HydrophobicContact CE1-CD2 4.38Å; F418-Y422 AromaticContact CE2-CD2 3.5Å; F418-Y422 HydrophobicContact CE2-CD2 3.5Å; F418-Y422 AromaticContact CE2-CE2 3.77Å; F418-Y422 HydrophobicContact CE2-CE2 3.77Å; F418-Y422 HydrophobicContact CE2-CG 4.09Å; F418-Y422 AromaticContact CG-CD2 3.89Å; F418-Y422 HydrophobicContact CG-CD2 3.89Å; F418-Y422 HydrophobicContact CG-CE2 4.47Å; F418-Y422 AromaticContact CZ-CD2 3.99Å; F418-Y422 HydrophobicContact CZ-CD2 3.99Å; F418-Y422 HydrophobicContact CZ-CG 4.17Å; F418-Y422 WeakPolarHBondContact O-CD2 3.43Å; F418-Y422 PolarHBondContact O-N 3.21Å |
| 423 | A | 84 | Confident | 87.5 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 13% | 0.132 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -72 | 141.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | H419 P432 V434 | H419-A423 HydrophobicContact CB-CB 4.42Å; H419-A423 WeakPolarHBondContact O-CB 3.47Å; H419-A423 PolarHBondContact O-N 3.1Å; A423-P432 HydrophobicContact CB-CB 3.88Å; A423-V434 HydrophobicContact CB-CG1 4.34Å |
| 424 | P | 85.2 | Confident | 87.3 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 139.3 | 177.3 | 27.3 | -34.1 | 0 | 0 | 0 | 110.3 | I433 N451 | P424-I433 HydrophobicContact CG-CB 4.48Å; P424-I433 PolarHBondContact O-N 2.92Å; P424-N451 HydrophobicContact CB-CB 4.26Å |
| 425 | R | 89.1 | Confident | 86.8 | Confident | 135 Ų | 135 | 63.9 Ų | 63.9 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -86.7 | 141.1 | 177.9 | -63.1 | -174.9 | -175.8 | -68.7 | -18.3 | 110.6 | K420 G430 R431 | K420-R425 PolarHBondContact O-NH2 3.02Å; R425-G430 PolarHBondContact NH1-O 3.4Å; R425-R431 WeakPolarHBondContact CA-O 3.11Å |
| 426 | C | 91.6 | Very high | 86.1 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -70.5 | 128.7 | 168.1 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | S428 G430 R431 I433 N451 H453 | C426-S428 VanDerWaalsContact C-N 3.27Å; C426-S428 PolarHBondContact O-N 2.99Å; C426-S428 PolarHBondContact SG-N 3.37Å; C426-S428 VanDerWaalsContact SG-N 3.35Å; C426-G430 VanDerWaalsContact O-CA 3.28Å; C426-G430 WeakPolarHBondContact O-CA 3.08Å; C426-G430 PolarHBondContact O-N 3.39Å; C426-R431 PolarHBondContact N-O 3.19Å; C426-I433 HydrophobicContact CB-CD1 4.2Å; C426-I433 HydrophobicContact CB-CG1 4.06Å; C426-N451 CarbonylContact C-O 3.58Å; C426-N451 VanDerWaalsContact CA-O 3.25Å; C426-N451 WeakPolarHBondContact CA-O 3.38Å; C426-H453 WeakPolarHBondContact CB-ND1 3.49Å |
| 427 | A | 91.7 | Very high | 85.3 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 50% | 0.504 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N451 Y452 | A427-N451 PolarHBondContact N-O 2.89Å; A427-Y452 HydrophobicContact CB-CD1 4.49Å; A427-Y452 HydrophobicContact CB-CE1 3.86Å |
| 428 | S | 90.9 | Very high | 84.4 | Confident | 80 Ų | 80 | 71.4 Ų | 71.4 | 56% | 0.559 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -44.5 | 176.1 | 163.3 | 0 | 0 | 0 | 0 | 112.7 | C426 | C426-S428 VanDerWaalsContact C-N 3.27Å; C426-S428 PolarHBondContact O-N 2.99Å; C426-S428 PolarHBondContact SG-N 3.37Å; C426-S428 VanDerWaalsContact SG-N 3.35Å |
| 429 | C | 92.7 | Very high | 83.4 | Confident | 48 Ų | 48 | 73.9 Ų | 73.9 | 32% | 0.324 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -0.3 | -171.2 | 78.5 | 0 | 0 | 0 | 0 | 115.4 | R431 | C429-R431 PolarHBondContact O-N 3.02Š|
| 430 | G | 89.2 | Confident | 82.5 | Confident | 43 Ų | 43 | 79.6 Ų | 79.6 | 44% | 0.443 | 45% | 0.452 | S | S | . | . | trans | 68.8 | -13.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | R425 C426 | R425-G430 PolarHBondContact NH1-O 3.4Å; C426-G430 VanDerWaalsContact O-CA 3.28Å; C426-G430 WeakPolarHBondContact O-CA 3.08Å; C426-G430 PolarHBondContact O-N 3.39Å | ||
| 431 | R | 88.3 | Confident | 81.7 | Confident | 179 Ų | 179 | 78.8 Ų | 78.8 | 68% | 0.675 | 45% | 0.45 | S | S | * | . | trans | -70.1 | 147.1 | -179.3 | -60.7 | 174.9 | -174 | 170.6 | 1 | 110.7 | R425 C426 C429 | R425-R431 WeakPolarHBondContact CA-O 3.11Å; C426-R431 PolarHBondContact N-O 3.19Å; C429-R431 PolarHBondContact O-N 3.02Å | ||
| 432 | P | 87 | Confident | 81.1 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 24% | 0.24 | 44% | 0.441 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 144.2 | 171.3 | 28.4 | -34.2 | 0 | 0 | 0 | 110.7 | A423 V434 H453 | A423-P432 HydrophobicContact CB-CB 3.88Å; P432-V434 HydrophobicContact CB-CG1 4.08Å; P432-V434 HydrophobicContact CG-CG1 4.26Å; P432-H453 PolarHBondContact O-NE2 3.19Å |
| 433 | I | 84.4 | Confident | 80.8 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.026 | 45% | 0.446 | C | S | . | . | trans | -91.7 | 108.3 | 172.1 | -53.3 | 159.1 | 0 | 0 | 0 | 107.5 | P424 C426 R443 R444 N451 | P424-I433 HydrophobicContact CG-CB 4.48Å; P424-I433 PolarHBondContact O-N 2.92Å; C426-I433 HydrophobicContact CB-CD1 4.2Å; C426-I433 HydrophobicContact CB-CG1 4.06Å; I433-R443 WeakPolarHBondContact CG2-O 3.48Å; I433-R444 HydrophobicContact CD1-CB 4.03Å; I433-R444 HydrophobicContact CG2-CB 4.04Å; I433-N451 HydrophobicContact CD1-CB 3.81Å | ||
| 434 | V | 82.8 | Confident | 80.8 | Confident | 55 Ų | 55 | 80.9 Ų | 80.9 | 33% | 0.333 | 46% | 0.463 | S | S | . | . | trans | -117.2 | 156.6 | -174.2 | -61 | 0 | 0 | 0 | 0 | 109.1 | H419 A423 P432 | H419-V434 HydrophobicContact CB-CG1 3.73Å; A423-V434 HydrophobicContact CB-CG1 4.34Å; P432-V434 HydrophobicContact CB-CG1 4.08Å; P432-V434 HydrophobicContact CG-CG1 4.26Å | ||
| 435 | P | 79 | Confident | 80.8 | Confident | 32 Ų | 32 | 80 Ų | 80 | 21% | 0.208 | 46% | 0.457 | C | S | . | . | trans | -68.8 | 144.8 | 171 | 30.8 | -33.8 | 0 | 0 | 0 | 110.4 | H419 A442 | H419-P435 VanDerWaalsContact CE1-CD 3.46Å; H419-P435 WeakPolarHBondContact CE1-CD 3.33Å; P435-A442 HydrophobicContact CB-CB 4.14Å | ||
| 436 | D | 72.5 | Confident | 80.7 | Confident | 113 Ų | 113 | 77.4 Ų | 77.4 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | trans | -67 | 157.8 | 176.9 | -56.2 | -62.5 | 0 | 0 | 0 | 112 | G438 C439 | D436-G438 PolarHBondContact O-N 2.81Å; D436-C439 HydrophobicContact CB-CB 4.37Å; D436-C439 PolarHBondContact O-N 2.91Å | ||
| 437 | A | 69.5 | Low | 80.6 | Confident | 119 Ų | 119 | 80 Ų | 80 | 98% | 0.983 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 95 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 438 | G | 67.7 | Low | 80.3 | Confident | 83 Ų | 83 | 80.2 Ų | 80.2 | 86% | 0.856 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.2 | -16.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D436 | D436-G438 PolarHBondContact O-N 2.81Š|
| 439 | C | 68.2 | Low | 80.1 | Confident | 71 Ų | 71 | 84.3 Ų | 84.3 | 48% | 0.48 | 50% | 0.498 | S | S | . | . | trans | -85.8 | 141.3 | 171.4 | -68.3 | 0 | 0 | 0 | 0 | 110.6 | D436 | D436-C439 HydrophobicContact CB-CB 4.37Å; D436-C439 PolarHBondContact O-N 2.91Å | ||
| 440 | Q | 65 | Low | 79.9 | Confident | 162 Ų | 162 | 84.3 Ų | 84.3 | 76% | 0.757 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -92.9 | -9.4 | 170.2 | -69 | -176 | -22.1 | 0 | 0 | 112.8 | ||
| 441 | E | 69.5 | Low | 79.9 | Confident | 127 Ų | 127 | 83.8 Ų | 83.8 | 59% | 0.593 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -114.5 | 131.4 | -175.9 | -177.1 | -177.7 | -133.4 | 0 | 0 | 110.7 | R443 | E441-R443 IonicContact OE2-NE 2.69Å; E441-R443 IonicContact OE2-NH2 3.23Å |
| 442 | A | 71.7 | Confident | 79.9 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | trans | -95.1 | 106.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | P435 | P435-A442 HydrophobicContact CB-CB 4.14Š| ||
| 443 | R | 76.8 | Confident | 79.9 | Confident | 127 Ų | 127 | 77.9 Ų | 77.9 | 48% | 0.479 | 46% | 0.461 | S | S | . | . | trans | -84.1 | 134.3 | -178 | -61.9 | -178.8 | 170.7 | -175.7 | -4.2 | 111.3 | I433 E441 L454 | I433-R443 WeakPolarHBondContact CG2-O 3.48Å; E441-R443 IonicContact OE2-NE 2.69Å; E441-R443 IonicContact OE2-NH2 3.23Å; R443-L454 HydrophobicContact CB-CD1 3.85Å; R443-L454 HydrophobicContact CB-CG 4.35Å | ||
| 444 | R | 83.1 | Confident | 79.9 | Confident | 131 Ų | 131 | 79.6 Ų | 79.6 | 49% | 0.494 | 47% | 0.47 | S | S | . | . | trans | -146.7 | 151.1 | -178.4 | 54.8 | 176 | 166.7 | 162.5 | -2.7 | 110.9 | I433 V446 N451 Y452 | I433-R444 HydrophobicContact CD1-CB 4.03Å; I433-R444 HydrophobicContact CG2-CB 4.04Å; R444-V446 HydrophobicContact CG-CG2 4.46Å; R444-N451 WeakPolarHBondContact CD-OD1 3.41Å; R444-N451 PolarHBondContact NH1-OD1 2.93Å; R444-Y452 CarbonylContact C-O 3.58Å; R444-Y452 VanDerWaalsContact CA-O 3.3Å; R444-Y452 WeakPolarHBondContact CA-O 3.47Å; R444-Y452 WeakPolarHBondContact CB-O 3.3Å | ||
| 445 | V | 85.3 | Confident | 80.1 | Confident | 27 Ų | 27 | 84.7 Ų | 84.7 | 16% | 0.164 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 141 | 159.2 | -167.9 | 0 | 0 | 0 | 0 | 108.4 | N451 Y452 L454 F457 V459 | V445-N451 CarbonylContact O-C 3.52Å; V445-N451 WeakPolarHBondContact O-CA 3.5Å; V445-Y452 PolarHBondContact N-O 3.44Å; V445-Y452 PolarHBondContact O-N 3.34Å; V445-L454 HydrophobicContact CG2-CD2 3.72Å; V445-F457 HydrophobicContact CB-CB 4.1Å; V445-F457 HydrophobicContact CB-CD1 4.32Å; V445-F457 HydrophobicContact CB-CD2 4.2Å; V445-F457 HydrophobicContact CB-CG 3.95Å; V445-F457 HydrophobicContact CG1-CD1 3.85Å; V445-F457 HydrophobicContact CG1-CD2 3.94Å; V445-F457 HydrophobicContact CG1-CE1 3.97Å; V445-F457 HydrophobicContact CG1-CE2 4.06Å; V445-F457 HydrophobicContact CG1-CG 3.84Å; V445-F457 HydrophobicContact CG1-CZ 4.07Å; V445-F457 HydrophobicContact CG2-CB 3.73Å; V445-F457 HydrophobicContact CG2-CD1 4.07Å; V445-F457 HydrophobicContact CG2-CG 3.9Å; V445-V459 HydrophobicContact CG2-CG2 3.82Å |
| 446 | V | 88.8 | Confident | 80.4 | Confident | 82 Ų | 82 | 85.3 Ų | 85.3 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.1 | 167.4 | -177.8 | 0 | 0 | 0 | 0 | 107.1 | R444 S450 | R444-V446 HydrophobicContact CG-CG2 4.46Å; V446-S450 WeakPolarHBondContact CA-O 3.25Å |
| 447 | S | 87.8 | Confident | 81 | Confident | 56 Ų | 56 | 84.4 Ų | 84.4 | 39% | 0.392 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 116.5 | 176.7 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | N449 S450 | S447-N449 PolarHBondContact O-N 3.17Å; S447-S450 PolarHBondContact N-O 3.14Å; S447-S450 WeakPolarHBondContact O-CB 3.28Å; S447-S450 PolarHBondContact O-N 2.97Å |
| 448 | G | 87.1 | Confident | 81.4 | Confident | 65 Ų | 65 | 81.6 Ų | 81.6 | 67% | 0.67 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | -126.5 | -162.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 449 | N | 86.4 | Confident | 81.7 | Confident | 166 Ų | 166 | 80.5 Ų | 80.5 | 89% | 0.888 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -1.1 | 178.1 | -61.3 | 0.3 | 0 | 0 | 0 | 113.1 | S447 | S447-N449 PolarHBondContact O-N 3.17Š|
| 450 | S | 88.7 | Confident | 81.2 | Confident | 48 Ų | 48 | 86.2 Ų | 86.2 | 34% | 0.336 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 148.1 | -173.4 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | V446 S447 Y452 | V446-S450 WeakPolarHBondContact CA-O 3.25Å; S447-S450 PolarHBondContact N-O 3.14Å; S447-S450 WeakPolarHBondContact O-CB 3.28Å; S447-S450 PolarHBondContact O-N 2.97Å; S450-Y452 VanDerWaalsContact CB-CE2 3.47Å; S450-Y452 WeakPolarHBondContact CB-OH 3.32Å |
| 451 | N | 89 | Confident | 80.8 | Confident | 31 Ų | 31 | 82.3 Ų | 82.3 | 17% | 0.166 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 148.5 | -179.4 | -68.2 | -107.6 | 0 | 0 | 0 | 109.8 | P424 C426 A427 I433 R444 V445 | P424-N451 HydrophobicContact CB-CB 4.26Å; C426-N451 CarbonylContact C-O 3.58Å; C426-N451 VanDerWaalsContact CA-O 3.25Å; C426-N451 WeakPolarHBondContact CA-O 3.38Å; A427-N451 PolarHBondContact N-O 2.89Å; I433-N451 HydrophobicContact CD1-CB 3.81Å; R444-N451 WeakPolarHBondContact CD-OD1 3.41Å; R444-N451 PolarHBondContact NH1-OD1 2.93Å; V445-N451 CarbonylContact O-C 3.52Å; V445-N451 WeakPolarHBondContact O-CA 3.5Å |
| 452 | Y | 87.4 | Confident | 80.1 | Confident | 50 Ų | 50 | 83.8 Ų | 83.8 | 20% | 0.196 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 145.7 | -178.6 | -54.1 | -99.2 | 0 | 0 | 0 | 111.7 | A427 R444 V445 S450 F457 | A427-Y452 HydrophobicContact CB-CD1 4.49Å; A427-Y452 HydrophobicContact CB-CE1 3.86Å; R444-Y452 CarbonylContact C-O 3.58Å; R444-Y452 VanDerWaalsContact CA-O 3.3Å; R444-Y452 WeakPolarHBondContact CA-O 3.47Å; R444-Y452 WeakPolarHBondContact CB-O 3.3Å; V445-Y452 PolarHBondContact N-O 3.44Å; V445-Y452 PolarHBondContact O-N 3.34Å; S450-Y452 VanDerWaalsContact CB-CE2 3.47Å; S450-Y452 WeakPolarHBondContact CB-OH 3.32Å; Y452-F457 HydrophobicContact CD1-CD2 4.29Å; Y452-F457 AromaticContact CD2-CD2 3.89Å; Y452-F457 HydrophobicContact CD2-CD2 3.89Å; Y452-F457 HydrophobicContact CD2-CE2 4.35Å; Y452-F457 HydrophobicContact CE2-CD2 4.38Å; Y452-F457 HydrophobicContact CE2-CE2 4.49Å; Y452-F457 AromaticContact CG-CD2 3.87Å; Y452-F457 HydrophobicContact CG-CD2 3.87Å |
| 453 | H | 86.8 | Confident | 79.1 | Confident | 43 Ų | 43 | 86.3 Ų | 86.3 | 20% | 0.199 | 48% | 0.475 | C | S | . | . | trans | -62.6 | 153.6 | 158.7 | -59.3 | 88.1 | 0 | 0 | 0 | 109.2 | C426 P432 E455 C456 F457 | C426-H453 WeakPolarHBondContact CB-ND1 3.49Å; P432-H453 PolarHBondContact O-NE2 3.19Å; H453-E455 VanDerWaalsContact C-N 3.33Å; H453-E455 PolarHBondContact O-N 3.23Å; H453-C456 HydrophobicContact CB-CB 4.14Å; H453-C456 PolarHBondContact O-N 3.21Å; H453-F457 PolarHBondContact O-N 3.42Å; H453-F457 VanDerWaalsContact O-N 3.16Å | ||
| 454 | L | 85.7 | Confident | 77.9 | Confident | 41 Ų | 41 | 87.3 Ų | 87.3 | 22% | 0.215 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -46.1 | -179.3 | -55.9 | -178.2 | 0 | 0 | 0 | 111.2 | R443 V445 F457 G458 V459 T461 | R443-L454 HydrophobicContact CB-CD1 3.85Å; R443-L454 HydrophobicContact CB-CG 4.35Å; V445-L454 HydrophobicContact CG2-CD2 3.72Å; L454-F457 PolarHBondContact O-N 2.85Å; L454-G458 PolarHBondContact O-N 2.73Å; L454-V459 HydrophobicContact CB-CB 4.34Å; L454-V459 PolarHBondContact O-N 3.35Å; L454-T461 HydrophobicContact CB-CG2 3.94Å; L454-T461 HydrophobicContact CD1-CG2 3.46Å; L454-T461 VanDerWaalsContact CD1-CG2 3.46Å; L454-T461 HydrophobicContact CG-CG2 4.33Å |
| 455 | E | 85.4 | Confident | 76 | Confident | 162 Ų | 162 | 88 Ų | 88 | 76% | 0.757 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -57.4 | -47.8 | 174 | -58.7 | 175 | 166.8 | 0 | 0 | 112.4 | H453 F457 G458 | H453-E455 VanDerWaalsContact C-N 3.33Å; H453-E455 PolarHBondContact O-N 3.23Å; E455-F457 PolarHBondContact O-N 3.16Å; E455-G458 PolarHBondContact O-N 2.86Å |
| 456 | C | 85.7 | Confident | 74.1 | Confident | 44 Ų | 44 | 94.1 Ų | 94.1 | 30% | 0.297 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -70.3 | -9.6 | -178.9 | -62 | 0 | 0 | 0 | 0 | 114.3 | H453 | H453-C456 HydrophobicContact CB-CB 4.14Å; H453-C456 PolarHBondContact O-N 3.21Å |
| 457 | F | 85.1 | Confident | 72 | Confident | 94 Ų | 94 | 96.8 Ų | 96.8 | 41% | 0.412 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -100.4 | -1.1 | 169.6 | -161.5 | -94.1 | 0 | 0 | 0 | 112.2 | V445 Y452 H453 L454 E455 V459 | V445-F457 HydrophobicContact CB-CB 4.1Å; V445-F457 HydrophobicContact CB-CD1 4.32Å; V445-F457 HydrophobicContact CB-CD2 4.2Å; V445-F457 HydrophobicContact CB-CG 3.95Å; V445-F457 HydrophobicContact CG1-CD1 3.85Å; V445-F457 HydrophobicContact CG1-CD2 3.94Å; V445-F457 HydrophobicContact CG1-CE1 3.97Å; V445-F457 HydrophobicContact CG1-CE2 4.06Å; V445-F457 HydrophobicContact CG1-CG 3.84Å; V445-F457 HydrophobicContact CG1-CZ 4.07Å; V445-F457 HydrophobicContact CG2-CB 3.73Å; V445-F457 HydrophobicContact CG2-CD1 4.07Å; V445-F457 HydrophobicContact CG2-CG 3.9Å; Y452-F457 HydrophobicContact CD1-CD2 4.29Å; Y452-F457 AromaticContact CD2-CD2 3.89Å; Y452-F457 HydrophobicContact CD2-CD2 3.89Å; Y452-F457 HydrophobicContact CD2-CE2 4.35Å; Y452-F457 HydrophobicContact CE2-CD2 4.38Å; Y452-F457 HydrophobicContact CE2-CE2 4.49Å; Y452-F457 AromaticContact CG-CD2 3.87Å; Y452-F457 HydrophobicContact CG-CD2 3.87Å; H453-F457 PolarHBondContact O-N 3.42Å; H453-F457 VanDerWaalsContact O-N 3.16Å; L454-F457 PolarHBondContact O-N 2.85Å; E455-F457 PolarHBondContact O-N 3.16Å; F457-V459 VanDerWaalsContact C-N 3.33Å; F457-V459 HydrophobicContact CB-CG2 4.28Å; F457-V459 HydrophobicContact CD1-CG2 3.84Å |
| 458 | G | 78.6 | Confident | 70.3 | Confident | 60 Ų | 60 | 101.1 Ų | 101.1 | 62% | 0.619 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77 | 14.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | L454 E455 Q460 | L454-G458 PolarHBondContact O-N 2.73Å; E455-G458 PolarHBondContact O-N 2.86Å; G458-Q460 PolarHBondContact O-N 3.38Å |
| 459 | V | 72.8 | Confident | 67.9 | Low | 61 Ų | 61 | 107.6 Ų | 107.6 | 37% | 0.37 | 57% | 0.569 | S | S | . | * | trans | -74.9 | 107.3 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | V445 L454 F457 T461 | V445-V459 HydrophobicContact CG2-CG2 3.82Å; L454-V459 HydrophobicContact CB-CB 4.34Å; L454-V459 PolarHBondContact O-N 3.35Å; F457-V459 VanDerWaalsContact C-N 3.33Å; F457-V459 HydrophobicContact CB-CG2 4.28Å; F457-V459 HydrophobicContact CD1-CG2 3.84Å; V459-T461 HydrophobicContact CG1-CG2 4.49Å; V459-T461 PolarHBondContact O-N 2.84Å | ||
| 460 | Q | 57.9 | Low | 65.9 | Low | 191 Ų | 191 | 105 Ų | 105 | 89% | 0.893 | 56% | 0.564 | S | S | * | * | trans | -67 | 101.5 | 171.1 | -63.7 | -176.6 | 12.4 | 0 | 0 | 110.1 | G458 L462 | G458-Q460 PolarHBondContact O-N 3.38Å; Q460-L462 PolarHBondContact O-N 2.93Å | ||
| 461 | T | 57.1 | Low | 63.7 | Low | 80 Ų | 80 | 109.2 Ų | 109.2 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | trans | -82.1 | 106.4 | 175.5 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | L454 V459 | L454-T461 HydrophobicContact CB-CG2 3.94Å; L454-T461 HydrophobicContact CD1-CG2 3.46Å; L454-T461 VanDerWaalsContact CD1-CG2 3.46Å; L454-T461 HydrophobicContact CG-CG2 4.33Å; V459-T461 HydrophobicContact CG1-CG2 4.49Å; V459-T461 PolarHBondContact O-N 2.84Å | ||
| 462 | L | 54.9 | Low | 61.6 | Low | 158 Ų | 158 | 111.7 Ų | 111.7 | 83% | 0.827 | 62% | 0.615 | S | S | * | * | trans | -60.5 | 130.9 | 163.5 | -81 | 167 | 0 | 0 | 0 | 109.2 | Q460 Q464 | Q460-L462 PolarHBondContact O-N 2.93Å; L462-Q464 PolarHBondContact O-N 2.99Å | ||
| 463 | P | 50.4 | Low | 59.4 | Low | 95 Ų | 95 | 118.9 Ų | 118.9 | 62% | 0.617 | 65% | 0.648 | S | S | * | * | trans | -66.9 | 117.5 | -176.2 | 25.8 | -33.6 | 0 | 0 | 0 | 110.5 | N465 | P463-N465 PolarHBondContact O-N 3.3Š| ||
| 464 | Q | 52 | Low | 57.2 | Low | 148 Ų | 148 | 125.1 Ų | 125.1 | 69% | 0.692 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -76.8 | 50.9 | 179 | -70.1 | -177.4 | -33.9 | 0 | 0 | 112.3 | L462 | L462-Q464 PolarHBondContact O-N 2.99Š|
| 465 | N | 44.2 | Very low | 55.1 | Low | 145 Ų | 145 | 129.9 Ų | 129.9 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | trans | -153.5 | 61.1 | 169.2 | -138 | -89.5 | 0 | 0 | 0 | 113.2 | P463 | P463-N465 PolarHBondContact O-N 3.3Š| ||
| 466 | L | 44.3 | Very low | 53.2 | Low | 157 Ų | 157 | 127 Ų | 127 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | trans | -116.5 | 80 | 164.3 | -75.9 | 173.8 | 0 | 0 | 0 | 109.6 | ||||
| 467 | N | 44.3 | Very low | 50.9 | Low | 138 Ų | 138 | 128.2 Ų | 128.2 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | -76.3 | 144.5 | 160.9 | -162.5 | -3.6 | 0 | 0 | 0 | 108.5 | ||||
| 468 | L | 52.2 | Low | 48.8 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 64.6 | 106.5 | -175.8 | -88.4 | 59.7 | 0 | 0 | 0 | 118.1 | ||
| 469 | K | 37.5 | Very low | 47.1 | Very low | 200 Ų | 200 | 134.9 Ų | 134.9 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | 66 | 75.5 | 125.3 | -163.7 | 82.4 | 174.3 | -171.2 | 0 | 119.5 | |||||
| 470 | S | 43.5 | Very low | 45.6 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | -177 | 128.4 | 127.2 | 47.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 471 | P | 42.8 | Very low | 44.8 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | trans | -102.8 | 77.4 | 173.6 | 36.8 | -30.4 | 0 | 0 | 0 | 112 | ||||
| 472 | A | 44.7 | Very low | 44.2 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 69% | 0.686 | 81% | 0.813 | S | S | * | * | trans | -164.7 | 116.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 473 | F | 41.8 | Very low | 43.6 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | -163.1 | 163.5 | 125.5 | -127.4 | -101.2 | 0 | 0 | 0 | 111.6 | |||||
| 474 | K | 41.4 | Very low | 43.3 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | trans | -65.7 | 139.2 | -163.1 | -64.3 | 173.7 | 176.3 | 177.7 | 0 | 114.9 | ||||
| 475 | V | 41 | Very low | 42.7 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | trans | -78.6 | 142.4 | 146.7 | 175.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 476 | S | 45 | Very low | 42.7 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 71% | 0.706 | 83% | 0.834 | S | S | * | * | trans | -156 | 112.9 | 174.2 | -70.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 477 | G | 36.5 | Very low | 42.5 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | trans | 76.4 | 150.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 478 | S | 41 | Very low | 42.4 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | cis | -154.6 | 138.4 | -14.9 | -74.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 479 | I | 43.6 | Very low | 41.7 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 89% | 0.887 | 85% | 0.847 | S | S | * | * | trans | -125.2 | 130.3 | 160.8 | -56.3 | 177.4 | 0 | 0 | 0 | 105.5 | ||||
| 480 | A | 42.1 | Very low | 42 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 85% | 0.846 | S | S | * | * | trans | -126.5 | 129.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 481 | S | 40.9 | Very low | 41.9 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 100% | 1.392 | 85% | 0.852 | S | S | * | * | trans | 59.4 | 0 | -179.7 | -60.6 | 0 | 0 | 0 | 0 | 115.8 |
Retrieved 481 of 481 residues in 293.3 ms
(Link to these results)