| 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 | 34 | Very low | 39.4 | Very low | 242 Ų | 242 | 174.4 Ų | 174.4 | 100% | 1.192 | 81% | 0.811 | S | S | * | * | 0 | 111.4 | 0 | -67.7 | -173.1 | -68.9 | 0 | 0 | 108.5 | |||||
| 2 | L | 32.5 | Very low | 39.9 | Very low | 160 Ų | 160 | 170 Ų | 170 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -80.9 | 132.4 | -178.3 | -72.3 | 165.7 | 0 | 0 | 0 | 110.5 | W4 | L2-W4 PolarHBondContact O-N 3.38Š| ||
| 3 | P | 39.1 | Very low | 39.8 | Very low | 119 Ų | 119 | 170 Ų | 170 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -79.3 | 104.6 | -177.1 | 31 | -30.5 | 0 | 0 | 0 | 109.4 | R5 | P3-R5 PolarHBondContact O-N 3.39Š| ||
| 4 | W | 38.4 | Very low | 40.3 | Very low | 228 Ų | 228 | 169.5 Ų | 169.5 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -61 | 108 | 172.1 | -84.6 | 69.3 | 0 | 0 | 0 | 110.3 | L2 R6 | L2-W4 PolarHBondContact O-N 3.38Å; W4-R6 PolarHBondContact O-N 3.38Å | ||
| 5 | R | 39 | Very low | 39.9 | Very low | 225 Ų | 225 | 169.3 Ų | 169.3 | 85% | 0.849 | 81% | 0.807 | S | S | * | * | trans | -69.9 | 92.1 | 165.2 | -87.5 | -171 | 175 | -100 | 0.6 | 109.3 | P3 N7 | P3-R5 PolarHBondContact O-N 3.39Å; R5-N7 PolarHBondContact O-N 3.44Å | ||
| 6 | R | 42.6 | Very low | 40.1 | Very low | 225 Ų | 225 | 164.6 Ų | 164.6 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | trans | -81.9 | 101.8 | 164.5 | -84 | -178.8 | 159.4 | 179.1 | -6.1 | 109.1 | W4 K8 | W4-R6 PolarHBondContact O-N 3.38Å; R6-K8 PolarHBondContact O-N 3.5Å | ||
| 7 | N | 41.6 | Very low | 40.5 | Very low | 121 Ų | 121 | 167.2 Ų | 167.2 | 65% | 0.647 | 81% | 0.811 | S | S | * | * | trans | -70.8 | 110.5 | 163.8 | -98.7 | -19.1 | 0 | 0 | 0 | 108.2 | R5 F9 | R5-N7 PolarHBondContact O-N 3.44Å; N7-F9 HydrophobicContact CB-CE2 4.01Å; N7-F9 HydrophobicContact CB-CZ 4.22Å; N7-F9 PolarHBondContact O-N 3.23Å | ||
| 8 | K | 40.6 | Very low | 40.1 | Very low | 197 Ų | 197 | 164.2 Ų | 164.2 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -84.2 | 101.2 | 175.1 | -134.8 | -179.6 | -174.7 | -176.9 | 0 | 107.4 | R6 | R6-K8 PolarHBondContact O-N 3.5Š| ||
| 9 | F | 41.3 | Very low | 40 | Very low | 155 Ų | 155 | 165.8 Ų | 165.8 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | trans | -76.3 | 128.3 | 169.1 | -62 | -83.1 | 0 | 0 | 0 | 108 | N7 | N7-F9 HydrophobicContact CB-CE2 4.01Å; N7-F9 HydrophobicContact CB-CZ 4.22Å; N7-F9 PolarHBondContact O-N 3.23Å | ||
| 10 | V | 44.8 | Very low | 39.7 | Very low | 105 Ų | 105 | 162.7 Ų | 162.7 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | trans | -111.4 | 110.5 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 105.8 | V12 | V10-V12 HydrophobicContact CG1-CG2 3.99Å; V10-V12 PolarHBondContact O-N 3.27Å | ||
| 11 | L | 39.8 | Very low | 39.9 | Very low | 141 Ų | 141 | 164.2 Ų | 164.2 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | trans | -68.1 | 116.2 | 167.3 | -140 | 86.2 | 0 | 0 | 0 | 106 | L65 | L11-L65 HydrophobicContact CD1-CD1 3.81Š| ||
| 12 | V | 45.3 | Very low | 40.2 | Very low | 122 Ų | 122 | 158 Ų | 158 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | -103.5 | 108.7 | 174 | 175.8 | 0 | 0 | 0 | 0 | 105.8 | V10 | V10-V12 HydrophobicContact CG1-CG2 3.99Å; V10-V12 PolarHBondContact O-N 3.27Å | ||
| 13 | E | 37.9 | Very low | 40.7 | Very low | 170 Ų | 170 | 158.2 Ų | 158.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -69.9 | 141.6 | 159.5 | -82.8 | 176.4 | 147.6 | 0 | 0 | 108.9 | E15 | E13-E15 PolarHBondContact O-N 3.03Å; E13-E15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | D | 47.2 | Very low | 40.8 | Very low | 163 Ų | 163 | 157.3 Ų | 157.3 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -75.8 | 96.7 | -171.2 | -141.2 | -8.5 | 0 | 0 | 0 | 109.4 | ||||
| 15 | E | 34 | Very low | 41 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -127.1 | 118.7 | 171.8 | -74.7 | -87.2 | 143.8 | 0 | 0 | 108.4 | E13 | E13-E15 PolarHBondContact O-N 3.03Å; E13-E15 VanDerWaalsContact O-N 3.1Å | ||
| 16 | A | 44.2 | Very low | 41.4 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -51.5 | 143.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 17 | K | 46.7 | Very low | 41.8 | Very low | 209 Ų | 209 | 141.7 Ų | 141.7 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | 62.7 | 75 | 159.8 | -118.3 | 171.2 | -176.6 | 173.4 | 0 | 115.5 | ||||
| 18 | C | 33.6 | Very low | 42.4 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -90.8 | 107.6 | 166.2 | -82.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 19 | K | 36.5 | Very low | 42.8 | Very low | 195 Ų | 195 | 136 Ų | 136 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | -58.8 | 147.3 | 153.9 | -74.9 | -166.3 | 175.9 | -178.1 | 0 | 109.7 | K21 | K19-K21 PolarHBondContact O-N 3.35Š| ||
| 20 | A | 34.4 | Very low | 43.5 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -54.4 | 111.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S22 | A20-S22 PolarHBondContact O-N 2.62Š| ||
| 21 | K | 43.8 | Very low | 44.2 | Very low | 195 Ų | 195 | 130.8 Ų | 130.8 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | -81 | 95 | 166.3 | -68.6 | 179.7 | 178.9 | 175.5 | 0 | 107.4 | K19 | K19-K21 PolarHBondContact O-N 3.35Š| ||
| 22 | S | 40.3 | Very low | 45.2 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 133.7 | 164 | 50.4 | 0 | 0 | 0 | 0 | 109.1 | A20 | A20-S22 PolarHBondContact O-N 2.62Š|
| 23 | L | 42.8 | Very low | 45.9 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 141.9 | 162.6 | -67.7 | 167.3 | 0 | 0 | 0 | 108 | ||
| 24 | S | 41.8 | Very low | 46.9 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 153.2 | -176.9 | 35.4 | 0 | 0 | 0 | 0 | 113.2 | G26 | S24-G26 PolarHBondContact O-N 3.33Š|
| 25 | P | 43.2 | Very low | 47.5 | Very low | 142 Ų | 142 | 117 Ų | 117 | 92% | 0.922 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 121.6 | -175.5 | -8.6 | 24.4 | 0 | 0 | 0 | 109.7 | ||
| 26 | G | 47.8 | Very low | 48.7 | Very low | 66 Ų | 66 | 116.1 Ų | 116.1 | 68% | 0.68 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.8 | -15.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | S24 | S24-G26 PolarHBondContact O-N 3.33Š|
| 27 | L | 50.9 | Low | 49.5 | Very low | 143 Ų | 143 | 116.2 Ų | 116.2 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | trans | -130.3 | 68.5 | -178.1 | -73.3 | 165.7 | 0 | 0 | 0 | 111.3 | ||||
| 28 | A | 54.5 | Low | 50.2 | Low | 54 Ų | 54 | 117 Ų | 117 | 45% | 0.446 | 66% | 0.658 | S | S | . | * | trans | -74 | 130.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | T30 S31 | A28-T30 WeakPolarHBondContact CB-OG1 3.43Å; A28-T30 PolarHBondContact O-N 3.28Å; A28-S31 PolarHBondContact O-N 2.83Å; A28-S31 PolarHBondContact O-OG 3.28Å | ||
| 29 | Y | 47.5 | Very low | 51.2 | Low | 143 Ų | 143 | 116 Ų | 116 | 56% | 0.561 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -51.6 | -26.8 | 175.8 | 179.5 | -111.3 | 0 | 0 | 0 | 113 | L33 | Y29-L33 HydrophobicContact CD1-CD1 3.71Å; Y29-L33 HydrophobicContact CD1-CG 4.46Å; Y29-L33 HydrophobicContact CE1-CD1 3.32Å; Y29-L33 HydrophobicContact CE1-CG 4.15Å; Y29-L33 HydrophobicContact CG-CD1 4.47Å; Y29-L33 WeakPolarHBondContact O-CG 3.44Å; Y29-L33 PolarHBondContact O-N 3.37Å |
| 30 | T | 57.5 | Low | 52.1 | Low | 101 Ų | 101 | 109 Ų | 109 | 62% | 0.62 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.3 | -34.2 | 176.5 | 55 | 0 | 0 | 0 | 0 | 113.6 | A28 S34 | A28-T30 WeakPolarHBondContact CB-OG1 3.43Å; A28-T30 PolarHBondContact O-N 3.28Å; T30-S34 PolarHBondContact O-N 3.19Å; T30-S34 PolarHBondContact O-OG 3.34Å |
| 31 | S | 57.8 | Low | 53.1 | Low | 51 Ų | 51 | 108.5 Ų | 108.5 | 36% | 0.357 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -74.2 | -35.3 | 179.8 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | A28 S34 S35 | A28-S31 PolarHBondContact O-N 2.83Å; A28-S31 PolarHBondContact O-OG 3.28Å; S31-S34 WeakPolarHBondContact CA-OG 3.21Å; S31-S34 PolarHBondContact O-N 3.05Å; S31-S34 PolarHBondContact O-OG 3.47Å; S31-S35 PolarHBondContact O-N 3.24Å; S31-S35 VanDerWaalsContact O-N 3.15Å; S31-S35 PolarHBondContact O-OG 3.07Å |
| 32 | L | 61.7 | Low | 53.7 | Low | 99 Ų | 99 | 106.7 Ų | 106.7 | 52% | 0.518 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.1 | -33.8 | 174.5 | -65.8 | 174.3 | 0 | 0 | 0 | 112.4 | S35 F36 | L32-S35 PolarHBondContact O-OG 3.43Å; L32-S35 VanDerWaalsContact O-OG 3.05Å; L32-F36 PolarHBondContact O-N 3.21Å |
| 33 | L | 59.5 | Low | 54.5 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 39% | 0.393 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.2 | -39.3 | 173.1 | -73.7 | 175.5 | 0 | 0 | 0 | 111.6 | Y29 S35 F36 L37 | Y29-L33 HydrophobicContact CD1-CD1 3.71Å; Y29-L33 HydrophobicContact CD1-CG 4.46Å; Y29-L33 HydrophobicContact CE1-CD1 3.32Å; Y29-L33 HydrophobicContact CE1-CG 4.15Å; Y29-L33 HydrophobicContact CG-CD1 4.47Å; Y29-L33 WeakPolarHBondContact O-CG 3.44Å; Y29-L33 PolarHBondContact O-N 3.37Å; L33-S35 PolarHBondContact O-N 3.18Å; L33-F36 PolarHBondContact O-N 3Å; L33-L37 WeakPolarHBondContact O-CB 3.36Å; L33-L37 VanDerWaalsContact O-CG 3.25Å; L33-L37 WeakPolarHBondContact O-CG 3.25Å; L33-L37 PolarHBondContact O-N 3.31Å |
| 34 | S | 59.4 | Low | 54.8 | Low | 71 Ų | 71 | 105.6 Ų | 105.6 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.3 | -35.9 | 179.2 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | T30 S31 R38 | T30-S34 PolarHBondContact O-N 3.19Å; T30-S34 PolarHBondContact O-OG 3.34Å; S31-S34 WeakPolarHBondContact CA-OG 3.21Å; S31-S34 PolarHBondContact O-N 3.05Å; S31-S34 PolarHBondContact O-OG 3.47Å; S34-R38 WeakPolarHBondContact O-CB 3.48Å; S34-R38 PolarHBondContact O-N 2.78Å |
| 35 | S | 59.1 | Low | 55.5 | Low | 61 Ų | 61 | 105.2 Ų | 105.2 | 43% | 0.427 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.8 | -37.6 | 176 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | S31 L32 L33 R38 S39 | S31-S35 PolarHBondContact O-N 3.24Å; S31-S35 VanDerWaalsContact O-N 3.15Å; S31-S35 PolarHBondContact O-OG 3.07Å; L32-S35 PolarHBondContact O-OG 3.43Å; L32-S35 VanDerWaalsContact O-OG 3.05Å; L33-S35 PolarHBondContact O-N 3.18Å; S35-R38 PolarHBondContact O-N 2.93Å; S35-S39 PolarHBondContact O-N 3.32Å; S35-S39 PolarHBondContact O-OG 2.89Å |
| 36 | F | 60.5 | Low | 55.8 | Low | 147 Ų | 147 | 106.3 Ų | 106.3 | 65% | 0.645 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.3 | -40.6 | 177 | -152.1 | -93.9 | 0 | 0 | 0 | 112.7 | L32 L33 R38 S39 C40 | L32-F36 PolarHBondContact O-N 3.21Å; L33-F36 PolarHBondContact O-N 3Å; F36-R38 VanDerWaalsContact C-N 3.28Å; F36-R38 PolarHBondContact O-N 3.03Å; F36-S39 PolarHBondContact O-N 3.19Å; F36-C40 PolarHBondContact O-N 3.15Å |
| 37 | L | 60.3 | Low | 56.1 | Low | 97 Ų | 97 | 110.6 Ų | 110.6 | 51% | 0.508 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.8 | -28.3 | 176.8 | -69.9 | 170.7 | 0 | 0 | 0 | 112.8 | L33 L44 | L33-L37 WeakPolarHBondContact O-CB 3.36Å; L33-L37 VanDerWaalsContact O-CG 3.25Å; L33-L37 WeakPolarHBondContact O-CG 3.25Å; L33-L37 PolarHBondContact O-N 3.31Å; L37-L44 HydrophobicContact CD2-CD1 3.73Å |
| 38 | R | 61.5 | Low | 56.3 | Low | 225 Ų | 225 | 107.3 Ų | 107.3 | 85% | 0.849 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -77.2 | -28.7 | 176.5 | -166.3 | 173.2 | -174.8 | 129.7 | 0.3 | 112.9 | S34 S35 F36 | S34-R38 WeakPolarHBondContact O-CB 3.48Å; S34-R38 PolarHBondContact O-N 2.78Å; S35-R38 PolarHBondContact O-N 2.93Å; F36-R38 VanDerWaalsContact C-N 3.28Å; F36-R38 PolarHBondContact O-N 3.03Å |
| 39 | S | 54.8 | Low | 56.2 | Low | 92 Ų | 92 | 111.2 Ų | 111.2 | 64% | 0.643 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -84.6 | -23 | -177 | -55 | 0 | 0 | 0 | 0 | 113.9 | S35 F36 | S35-S39 PolarHBondContact O-N 3.32Å; S35-S39 PolarHBondContact O-OG 2.89Å; F36-S39 PolarHBondContact O-N 3.19Å |
| 40 | C | 55 | Low | 56.5 | Low | 49 Ų | 49 | 112.4 Ų | 112.4 | 33% | 0.331 | 60% | 0.6 | S | S | . | * | trans | -140.1 | 77.4 | -176.2 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | F36 D42 L43 | F36-C40 PolarHBondContact O-N 3.15Å; C40-D42 VanDerWaalsContact C-N 3.3Å; C40-D42 PolarHBondContact O-N 3.11Å; C40-L43 HydrophobicContact CB-CB 4.34Å; C40-L43 HydrophobicContact CB-CD1 3.97Å; C40-L43 HydrophobicContact CB-CG 4.44Å | ||
| 41 | P | 56.5 | Low | 56.3 | Low | 93 Ų | 93 | 115 Ų | 115 | 60% | 0.604 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -68.3 | -26.5 | 179.4 | 26.9 | -33.3 | 0 | 0 | 0 | 113.4 | L43 | P41-L43 PolarHBondContact O-N 3.42Š|
| 42 | D | 56.2 | Low | 56.1 | Low | 156 Ų | 156 | 116.3 Ų | 116.3 | 83% | 0.834 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -88.5 | -2.3 | -172.1 | -53.9 | -40.2 | 0 | 0 | 0 | 114.4 | C40 | C40-D42 VanDerWaalsContact C-N 3.3Å; C40-D42 PolarHBondContact O-N 3.11Å |
| 43 | L | 55.3 | Low | 55.6 | Low | 136 Ų | 136 | 113.5 Ų | 113.5 | 71% | 0.712 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -99.7 | 12.5 | -178.7 | -75.2 | 175.5 | 0 | 0 | 0 | 113.3 | C40 P41 P45 | C40-L43 HydrophobicContact CB-CB 4.34Å; C40-L43 HydrophobicContact CB-CD1 3.97Å; C40-L43 HydrophobicContact CB-CG 4.44Å; P41-L43 PolarHBondContact O-N 3.42Å; L43-P45 WeakPolarHBondContact O-CD 3.35Å |
| 44 | L | 51.1 | Low | 55.3 | Low | 117 Ų | 117 | 119.2 Ų | 119.2 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | trans | -91.8 | 106 | 177.1 | -146.3 | 81.9 | 0 | 0 | 0 | 109.4 | L37 | L37-L44 HydrophobicContact CD2-CD1 3.73Š| ||
| 45 | P | 54.6 | Low | 55 | Low | 91 Ų | 91 | 120.2 Ų | 120.2 | 59% | 0.591 | 62% | 0.615 | S | S | * | * | trans | -63.6 | 147.8 | 157.3 | -0.9 | 17.3 | 0 | 0 | 0 | 107.3 | L43 W47 | L43-P45 WeakPolarHBondContact O-CD 3.35Å; P45-W47 PolarHBondContact O-N 3.43Å | ||
| 46 | D | 51.3 | Low | 54.6 | Low | 165 Ų | 165 | 123.8 Ų | 123.8 | 88% | 0.882 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -59.7 | 64.6 | 169.3 | -75.2 | -45.1 | 0 | 0 | 0 | 111.5 | P48 | D46-P48 WeakPolarHBondContact O-CD 3.43Š|
| 47 | W | 53.2 | Low | 54.1 | Low | 157 Ų | 157 | 125.7 Ų | 125.7 | 60% | 0.595 | 63% | 0.626 | S | S | * | * | trans | -104.8 | 108.7 | -177.6 | -161.2 | -92 | 0 | 0 | 0 | 107.5 | P45 L49 | P45-W47 PolarHBondContact O-N 3.43Å; W47-L49 PolarHBondContact O-N 3.04Å | ||
| 48 | P | 54.5 | Low | 53.9 | Low | 74 Ų | 74 | 125.3 Ų | 125.3 | 48% | 0.481 | 63% | 0.631 | S | S | . | * | trans | -58.7 | 119 | -176 | 10.4 | -17.9 | 0 | 0 | 0 | 110 | D46 E50 R51 | D46-P48 WeakPolarHBondContact O-CD 3.43Å; P48-E50 PolarHBondContact O-N 3.49Å; P48-R51 WeakPolarHBondContact O-CB 3.48Å; P48-R51 PolarHBondContact O-N 3.27Å | ||
| 49 | L | 53.7 | Low | 53.7 | Low | 136 Ų | 136 | 125.8 Ų | 125.8 | 71% | 0.712 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -51.7 | -27.9 | 178.8 | -85.1 | 141.8 | 0 | 0 | 0 | 112.8 | W47 R51 L52 G53 | W47-L49 PolarHBondContact O-N 3.04Å; L49-R51 PolarHBondContact O-N 2.97Å; L49-L52 PolarHBondContact O-N 3.22Å; L49-L52 VanDerWaalsContact O-N 3.07Å; L49-G53 PolarHBondContact O-N 3.05Å |
| 50 | E | 53.9 | Low | 53.7 | Low | 167 Ų | 167 | 132 Ų | 132 | 78% | 0.78 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -51.5 | -33.7 | 169.7 | -75.3 | -67.5 | 141.2 | 0 | 0 | 113.5 | P48 | P48-E50 PolarHBondContact O-N 3.49Å |
| 51 | R | 53.1 | Low | 53.9 | Low | 157 Ų | 157 | 137.3 Ų | 137.3 | 59% | 0.592 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -82.4 | -28.6 | -180 | -159.2 | 178.9 | -67.9 | -118.8 | 3.3 | 112.2 | P48 L49 R54 V55 | P48-R51 WeakPolarHBondContact O-CB 3.48Å; P48-R51 PolarHBondContact O-N 3.27Å; L49-R51 PolarHBondContact O-N 2.97Å; R51-R54 PolarHBondContact O-N 3.17Å; R51-V55 WeakPolarHBondContact O-CG2 3.41Å |
| 52 | L | 52.8 | Low | 54 | Low | 78 Ų | 78 | 142.9 Ų | 142.9 | 41% | 0.408 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -72.4 | -33.2 | 177.6 | -145.9 | 75.4 | 0 | 0 | 0 | 111.8 | L49 R54 V55 F56 | L49-L52 PolarHBondContact O-N 3.22Å; L49-L52 VanDerWaalsContact O-N 3.07Å; L52-R54 PolarHBondContact O-N 2.8Å; L52-R54 VanDerWaalsContact O-N 3.11Å; L52-V55 PolarHBondContact O-N 2.88Å; L52-F56 HydrophobicContact CD2-CE2 4.46Å; L52-F56 HydrophobicContact CG-CE2 4.14Å |
| 53 | G | 51.3 | Low | 54.3 | Low | 40 Ų | 40 | 139 Ų | 139 | 41% | 0.412 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.1 | -10.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L49 R57 | L49-G53 PolarHBondContact O-N 3.05Å; G53-R57 WeakPolarHBondContact O-CG 3.44Å; G53-R57 PolarHBondContact O-NE 3.27Å |
| 54 | R | 52.4 | Low | 54.9 | Low | 195 Ų | 195 | 139.4 Ų | 139.4 | 74% | 0.736 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -20.3 | 171.4 | -69.8 | -174.3 | -167.5 | -121.2 | 0.9 | 113.6 | R51 L52 | R51-R54 PolarHBondContact O-N 3.17Å; L52-R54 PolarHBondContact O-N 2.8Å; L52-R54 VanDerWaalsContact O-N 3.11Å |
| 55 | V | 54 | Low | 55.4 | Low | 91 Ų | 91 | 138.7 Ų | 138.7 | 55% | 0.552 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -28.1 | -177.5 | -157.8 | 0 | 0 | 0 | 0 | 111.4 | R51 L52 | R51-V55 WeakPolarHBondContact O-CG2 3.41Å; L52-V55 PolarHBondContact O-N 2.88Å |
| 56 | F | 50.1 | Low | 55.8 | Low | 137 Ų | 137 | 141.8 Ų | 141.8 | 60% | 0.601 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -106.6 | 5.1 | -179.2 | -60.9 | -74.7 | 0 | 0 | 0 | 115.1 | L52 S58 | L52-F56 HydrophobicContact CD2-CE2 4.46Å; L52-F56 HydrophobicContact CG-CE2 4.14Å; F56-S58 PolarHBondContact O-N 2.8Å |
| 57 | R | 49.9 | Very low | 56.7 | Low | 186 Ų | 186 | 141.2 Ų | 141.2 | 70% | 0.702 | 66% | 0.655 | S | S | * | * | trans | -70.2 | 78.8 | 160.3 | -75.5 | -174.9 | -137.5 | -147.4 | 7.3 | 107.5 | G53 R59 | G53-R57 WeakPolarHBondContact O-CG 3.44Å; G53-R57 PolarHBondContact O-NE 3.27Å; R57-R59 VanDerWaalsContact C-N 3.26Å; R57-R59 PolarHBondContact O-N 2.76Å | ||
| 58 | S | 55.9 | Low | 58 | Low | 89 Ų | 89 | 142.7 Ų | 142.7 | 62% | 0.622 | 67% | 0.668 | S | S | * | * | trans | -54.8 | 101.7 | 161.4 | 66.9 | 0 | 0 | 0 | 0 | 105.7 | F56 R60 | F56-S58 PolarHBondContact O-N 2.8Å; S58-R60 PolarHBondContact O-N 2.78Å | ||
| 59 | R | 57 | Low | 59.5 | Low | 236 Ų | 236 | 142.5 Ų | 142.5 | 89% | 0.891 | 66% | 0.663 | S | S | * | * | trans | -63.1 | 91.5 | 165.7 | -104 | -174.7 | 172.9 | -175.3 | -1.7 | 104 | R57 Q61 | R57-R59 VanDerWaalsContact C-N 3.26Å; R57-R59 PolarHBondContact O-N 2.76Å; R59-Q61 PolarHBondContact O-N 3.03Å | ||
| 60 | R | 56.2 | Low | 61.4 | Low | 222 Ų | 222 | 138.5 Ų | 138.5 | 84% | 0.838 | 65% | 0.645 | S | S | * | * | trans | -63.6 | 89.3 | 168.5 | -73.4 | -174.5 | 178.7 | -166.9 | 0.9 | 105.7 | S58 K62 | S58-R60 PolarHBondContact O-N 2.78Å; R60-K62 PolarHBondContact O-N 3.06Å | ||
| 61 | Q | 59 | Low | 63.3 | Low | 160 Ų | 160 | 133.5 Ų | 133.5 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | trans | -78.1 | 109.9 | 174.8 | -167.3 | 172.3 | -11.8 | 0 | 0 | 105.8 | R59 V63 | R59-Q61 PolarHBondContact O-N 3.03Å; Q61-V63 HydrophobicContact CB-CG2 4.22Å; Q61-V63 HydrophobicContact CG-CG2 3.76Å; Q61-V63 PolarHBondContact O-N 3.32Å; Q61-V63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | K | 59.5 | Low | 65.2 | Low | 210 Ų | 210 | 128.4 Ų | 128.4 | 91% | 0.913 | 61% | 0.607 | S | S | * | * | trans | -64.1 | 110.2 | 164.9 | -68.6 | -175.7 | 178.3 | -173.8 | 0 | 105.9 | R60 | R60-K62 PolarHBondContact O-N 3.06Š| ||
| 63 | V | 62.3 | Low | 67.2 | Low | 76 Ų | 76 | 128.8 Ų | 128.8 | 46% | 0.461 | 61% | 0.613 | S | S | . | * | trans | -113.9 | 114.3 | 174.3 | 177.2 | 0 | 0 | 0 | 0 | 105.5 | Q61 L65 | Q61-V63 HydrophobicContact CB-CG2 4.22Å; Q61-V63 HydrophobicContact CG-CG2 3.76Å; Q61-V63 PolarHBondContact O-N 3.32Å; Q61-V63 VanDerWaalsContact O-N 3.11Å; V63-L65 PolarHBondContact O-N 3.11Å | ||
| 64 | E | 66.2 | Low | 69.3 | Low | 143 Ų | 143 | 126.9 Ų | 126.9 | 67% | 0.668 | 59% | 0.593 | S | S | * | * | trans | -66.6 | 101.6 | 168.9 | -70.2 | 167.7 | 176.8 | 0 | 0 | 107.1 | N66 K67 | E64-N66 PolarHBondContact O-N 2.78Å; E64-K67 WeakPolarHBondContact OE2-CE 3.27Å; E64-K67 IonicContact OE2-NZ 3.14Å; E64-K67 PolarHBondContact OE2-NZ 2.82Å | ||
| 65 | L | 62.3 | Low | 71.3 | Confident | 102 Ų | 102 | 122.3 Ų | 122.3 | 53% | 0.534 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -75.8 | 110.9 | 175.7 | -81.5 | 155.6 | 0 | 0 | 0 | 107.3 | L11 V63 | L11-L65 HydrophobicContact CD1-CD1 3.81Å; V63-L65 PolarHBondContact O-N 3.11Å |
| 66 | N | 63.3 | Low | 73.3 | Confident | 156 Ų | 156 | 119.6 Ų | 119.6 | 83% | 0.834 | 56% | 0.556 | S | S | * | * | trans | 78.9 | 78.8 | 178.9 | -52.8 | -42.1 | 0 | 0 | 0 | 115.4 | E64 | E64-N66 PolarHBondContact O-N 2.78Š| ||
| 67 | K | 69.3 | Low | 75.4 | Confident | 154 Ų | 154 | 113.5 Ų | 113.5 | 67% | 0.67 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 131.3 | 152.6 | -65.8 | -174 | 177.9 | -166.3 | 0 | 107.8 | E64 | E64-K67 WeakPolarHBondContact OE2-CE 3.27Å; E64-K67 IonicContact OE2-NZ 3.14Å; E64-K67 PolarHBondContact OE2-NZ 2.82Å |
| 68 | E | 81.3 | Confident | 77.5 | Confident | 188 Ų | 188 | 105.4 Ų | 105.4 | 88% | 0.879 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 140.9 | 171.1 | -64.9 | -174.2 | 170.6 | 0 | 0 | 110.4 | ||
| 69 | D | 86.5 | Confident | 79.4 | Confident | 70 Ų | 70 | 104.3 Ų | 104.3 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 124.1 | -179.2 | -76.9 | -22.4 | 0 | 0 | 0 | 110.3 | T71 T113 L114 G115 | D69-T71 PolarHBondContact O-N 3.37Å; D69-T71 PolarHBondContact O-OG1 2.94Å; D69-T113 HydrophobicContact CB-CG2 3.43Å; D69-T113 VanDerWaalsContact CB-CG2 3.43Å; D69-L114 WeakPolarHBondContact CB-O 3.48Å; D69-G115 VanDerWaalsContact CG-CA 3.48Å; D69-G115 WeakPolarHBondContact OD1-CA 3.42Å; D69-G115 WeakPolarHBondContact OD2-CA 3.44Å |
| 70 | P | 92.6 | Very high | 81.2 | Confident | 51 Ų | 51 | 93.8 Ų | 93.8 | 33% | 0.331 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 129.1 | -175.8 | 20.8 | -31 | 0 | 0 | 0 | 111 | Y72 L114 L193 | P70-Y72 HydrophobicContact CB-CE2 3.99Å; P70-L114 VanDerWaalsContact CD-O 3.3Å; P70-L114 WeakPolarHBondContact CD-O 3.3Å; P70-L114 HydrophobicContact CG-CB 4.46Å; P70-L114 PolarHBondContact O-N 3.31Å; P70-L193 HydrophobicContact CB-CD2 4.41Å; P70-L193 HydrophobicContact CG-CD2 3.64Å |
| 71 | T | 93.7 | Very high | 83.1 | Confident | 63 Ų | 63 | 87.1 Ų | 87.1 | 39% | 0.387 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.7 | -172.8 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | D69 K111 L112 T113 | D69-T71 PolarHBondContact O-N 3.37Å; D69-T71 PolarHBondContact O-OG1 2.94Å; T71-K111 HydrophobicContact CG2-CD 3.81Å; T71-K111 HydrophobicContact CG2-CG 3.23Å; T71-L112 CarbonylContact C-O 3.56Å; T71-L112 WeakPolarHBondContact CA-O 3.31Å; T71-T113 WeakPolarHBondContact CG2-OG1 3.41Å; T71-T113 WeakPolarHBondContact OG1-CG2 3.45Å; T71-T113 PolarHBondContact OG1-OG1 3.06Å |
| 72 | Y | 94.3 | Very high | 84.8 | Confident | 49 Ų | 49 | 80.3 Ų | 80.3 | 19% | 0.192 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.5 | -174.4 | -57.5 | -91 | 0 | 0 | 0 | 110.5 | P70 L112 L190 | P70-Y72 HydrophobicContact CB-CE2 3.99Å; Y72-L112 HydrophobicContact CD2-CD2 4.29Å; Y72-L112 PolarHBondContact N-O 3.37Å; Y72-L112 PolarHBondContact O-N 3.29Å; Y72-L190 HydrophobicContact CD2-CD1 3.9Å; Y72-L190 HydrophobicContact CE2-CD1 3.65Å |
| 73 | T | 94.6 | Very high | 86.3 | Confident | 86 Ų | 86 | 77.6 Ų | 77.6 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 120.3 | 165.3 | -49.9 | 0 | 0 | 0 | 0 | 109.1 | K109 | T73-K109 HydrophobicContact CG2-CD 4.38Å; T73-K109 HydrophobicContact CG2-CG 4.07Å |
| 74 | V | 95.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 159.6 | -175.5 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | M110 L112 M121 V179 L181 | V74-M110 HydrophobicContact CG2-CB 4.37Å; V74-M110 PolarHBondContact N-O 3.25Å; V74-M110 PolarHBondContact O-N 2.76Å; V74-L112 HydrophobicContact CG1-CB 4.08Å; V74-L112 HydrophobicContact CG2-CB 3.75Å; V74-L112 HydrophobicContact CG2-CD1 4.28Å; V74-M121 HydrophobicContact CG2-CE 4.45Å; V74-V179 HydrophobicContact CB-CB 4.12Å; V74-V179 HydrophobicContact CB-CG2 4.46Å; V74-V179 HydrophobicContact CG2-CB 4.09Å; V74-V179 HydrophobicContact CG2-CG1 4.04Å; V74-L181 HydrophobicContact CG1-CD2 4.35Å; V74-L181 HydrophobicContact CG1-CG 3.98Å |
| 75 | W | 94.9 | Very high | 88.8 | Confident | 100 Ų | 100 | 74.7 Ų | 74.7 | 38% | 0.379 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 116.3 | 169.4 | -64.4 | 86.2 | 0 | 0 | 0 | 108.4 | L77 K109 V179 L180 | W75-L77 PolarHBondContact O-N 3.12Å; W75-K109 HydrophobicContact CE3-CB 4.22Å; W75-K109 HydrophobicContact CH2-CB 4.34Å; W75-K109 HydrophobicContact CZ3-CB 4.13Å; W75-V179 CarbonylContact O-C 3.55Å; W75-V179 VanDerWaalsContact O-CA 3.3Å; W75-V179 WeakPolarHBondContact O-CA 3.46Å; W75-L180 HydrophobicContact CB-CB 4.2Å; W75-L180 PolarHBondContact N-O 2.9Å; W75-L180 PolarHBondContact O-N 3.33Å |
| 76 | Y | 95.4 | Very high | 90.2 | Very high | 33 Ų | 33 | 77.4 Ų | 77.4 | 13% | 0.129 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 114.2 | 177 | -179.6 | -115.6 | 0 | 0 | 0 | 109.8 | G78 N79 G107 T108 M110 M121 H177 V179 | Y76-G78 WeakPolarHBondContact CE2-O 3.21Å; Y76-N79 PolarHBondContact OH-ND2 3.46Å; Y76-G107 CarbonylContact O-C 3.54Å; Y76-G107 WeakPolarHBondContact O-CA 3.24Å; Y76-T108 PolarHBondContact N-O 3.42Å; Y76-T108 PolarHBondContact O-N 3.25Å; Y76-M110 HydrophobicContact CD1-CE 3.93Å; Y76-M110 HydrophobicContact CD1-SD 4.34Å; Y76-M110 HydrophobicContact CG-CE 4.26Å; Y76-M110 HydrophobicContact CG-SD 4.08Å; Y76-M121 HydrophobicContact CD2-CE 3.56Å; Y76-M121 HydrophobicContact CD2-SD 4.32Å; Y76-M121 HydrophobicContact CE2-CE 4.36Å; Y76-M121 HydrophobicContact CG-CE 3.87Å; Y76-H177 HydrophobicContact CE2-CB 4.42Å; Y76-H177 PolarHBondContact OH-ND1 3.48Å; Y76-H177 VanDerWaalsContact OH-ND1 3.14Å; Y76-V179 HydrophobicContact CD2-CG1 3.86Å |
| 77 | L | 94.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 71.5 Ų | 71.5 | 5% | 0.047 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -24.9 | -177.3 | -57.7 | 179.8 | 0 | 0 | 0 | 111.9 | W75 I98 W99 C102 G106 V158 A178 L180 | W75-L77 PolarHBondContact O-N 3.12Å; L77-I98 HydrophobicContact CB-CG2 3.54Å; L77-W99 HydrophobicContact CD1-CE3 3.94Å; L77-W99 HydrophobicContact CD1-CZ3 4.11Å; L77-C102 HydrophobicContact CD2-CB 4.48Å; L77-C102 PolarHBondContact O-SG 3.05Å; L77-G106 WeakPolarHBondContact CD2-O 3.49Å; L77-V158 HydrophobicContact CD1-CG2 4.25Å; L77-A178 PolarHBondContact N-O 2.9Å; L77-L180 HydrophobicContact CD1-CB 4.15Å; L77-L180 HydrophobicContact CD2-CB 4.06Å; L77-L180 HydrophobicContact CG-CB 4.15Å |
| 78 | G | 93.7 | Very high | 92.3 | Very high | 16 Ų | 16 | 71.8 Ų | 71.8 | 17% | 0.165 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.1 | -160 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y76 A178 | Y76-G78 WeakPolarHBondContact CE2-O 3.21Å; G78-A178 PolarHBondContact O-N 3.33Å; G78-A178 VanDerWaalsContact O-N 3.13Å |
| 79 | N | 94.8 | Very high | 92.6 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 35% | 0.353 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 156.2 | 177.2 | 67.8 | 66.6 | 0 | 0 | 0 | 112 | Y76 R175 C176 | Y76-N79 PolarHBondContact OH-ND2 3.46Å; N79-R175 PolarHBondContact OD1-NH1 3.3Å; N79-C176 CarbonylContact C-O 3.6Å; N79-C176 WeakPolarHBondContact CA-O 3.33Å; N79-C176 WeakPolarHBondContact CB-O 3.21Å |
| 80 | A | 96.2 | Very high | 92.9 | Very high | 16 Ų | 16 | 61.7 Ų | 61.7 | 13% | 0.132 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 148.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | A94 I98 R175 C176 | A80-A94 HydrophobicContact CB-CB 4.21Å; A80-I98 HydrophobicContact CB-CD1 3.97Å; A80-I98 HydrophobicContact CB-CG1 3.75Å; A80-R175 CarbonylContact O-C 3.56Å; A80-R175 WeakPolarHBondContact O-CA 3.46Å; A80-C176 PolarHBondContact N-O 3.09Å; A80-C176 PolarHBondContact O-N 3.34Å |
| 81 | V | 95 | Very high | 93.1 | Very high | 82 Ų | 82 | 59.3 Ų | 59.3 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 137.1 | 174.5 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | V173 L174 | V81-V173 HydrophobicContact CG1-CG1 4.05Å; V81-V173 HydrophobicContact CG2-CG1 4.16Å; V81-L174 WeakPolarHBondContact CA-O 3.21Å |
| 82 | T | 94.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 10% | 0.104 | 32% | 0.322 | C | S | . | . | trans | -124 | 150.8 | 173.4 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | C90 V162 L174 C176 | T82-C90 PolarHBondContact OG1-O 3.06Å; T82-C90 VanDerWaalsContact OG1-O 3.06Å; T82-V162 HydrophobicContact CG2-CG1 3.73Å; T82-V162 HydrophobicContact CG2-CG2 4.19Å; T82-L174 HydrophobicContact CG2-CB 3.86Å; T82-L174 PolarHBondContact N-O 3.45Å; T82-L174 WeakPolarHBondContact O-CB 3.4Å; T82-C176 HydrophobicContact CG2-CB 4.39Å | ||
| 83 | L | 90.9 | Very high | 93.1 | Very high | 153 Ų | 153 | 61.9 Ų | 61.9 | 80% | 0.801 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -87.3 | -30.2 | 178.2 | -63.3 | 173.4 | 0 | 0 | 0 | 111.8 | ||
| 84 | H | 91.7 | Very high | 93.1 | Very high | 118 Ų | 118 | 57.9 Ų | 57.9 | 55% | 0.546 | 32% | 0.319 | S | S | . | . | trans | -102.1 | 125.9 | -171.3 | -64.8 | 96.7 | 0 | 0 | 0 | 111.1 | C90 | H84-C90 HydrophobicContact CB-CB 3.63Š| ||
| 85 | A | 90.2 | Very high | 93.1 | Very high | 39 Ų | 39 | 58 Ų | 58 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -75.8 | -27.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T147 Y148 L174 | A85-T147 HydrophobicContact CB-CG2 4.34Å; A85-T147 WeakPolarHBondContact O-CB 3.47Å; A85-T147 PolarHBondContact O-OG1 2.79Å; A85-Y148 WeakPolarHBondContact O-CB 3.32Å; A85-L174 HydrophobicContact CB-CD1 3.71Å; A85-L174 HydrophobicContact CB-CD2 4.32Å |
| 86 | K | 91.4 | Very high | 93.1 | Very high | 160 Ų | 160 | 54.7 Ų | 54.7 | 70% | 0.696 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -161.9 | 157.2 | -172.6 | -178.4 | 176.1 | 176.9 | -172 | 0 | 109.3 | Y148 | K86-Y148 HydrophobicContact CG-CD2 4.11Š|
| 87 | G | 89.5 | Confident | 93.1 | Very high | 32 Ų | 32 | 58.9 Ų | 58.9 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 130.2 | 161.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | C90 | G87-C90 WeakPolarHBondContact O-CB 3.48Å; G87-C90 PolarHBondContact O-N 3.29Å; G87-C90 PolarHBondContact O-SG 3.4Å |
| 88 | D | 86.8 | Confident | 93.1 | Very high | 160 Ų | 160 | 58.7 Ų | 58.7 | 86% | 0.856 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 135.6 | 172.4 | -65.7 | -31 | 0 | 0 | 0 | 109.1 | C90 | D88-C90 VanDerWaalsContact C-N 3.28Å; D88-C90 PolarHBondContact O-N 2.99Å |
| 89 | G | 89.1 | Confident | 93.2 | Very high | 35 Ų | 35 | 60.9 Ų | 60.9 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 0.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116 | T91 D92 | G89-T91 PolarHBondContact O-N 3.27Å; G89-D92 PolarHBondContact O-N 3.03Å |
| 90 | C | 92.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 62 Ų | 62 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.2 | -177.4 | 71.8 | 0 | 0 | 0 | 0 | 114.2 | T82 H84 G87 D88 Y148 | T82-C90 PolarHBondContact OG1-O 3.06Å; T82-C90 VanDerWaalsContact OG1-O 3.06Å; H84-C90 HydrophobicContact CB-CB 3.63Å; G87-C90 WeakPolarHBondContact O-CB 3.48Å; G87-C90 PolarHBondContact O-N 3.29Å; G87-C90 PolarHBondContact O-SG 3.4Å; D88-C90 VanDerWaalsContact C-N 3.28Å; D88-C90 PolarHBondContact O-N 2.99Å; C90-Y148 WeakPolarHBondContact SG-CD1 3.39Å; C90-Y148 VanDerWaalsContact SG-CE1 3.6Å |
| 91 | T | 95.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.006 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -15.5 | 177.8 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | G89 D93 A94 V95 Y148 T150 A160 V162 | G89-T91 PolarHBondContact O-N 3.27Å; T91-D93 PolarHBondContact O-N 3.03Å; T91-A94 PolarHBondContact O-N 3.39Å; T91-V95 WeakPolarHBondContact O-CB 3.27Å; T91-V95 VanDerWaalsContact O-CG2 3.27Å; T91-V95 WeakPolarHBondContact O-CG2 3.41Å; T91-V95 PolarHBondContact O-N 3.15Å; T91-Y148 HydrophobicContact CG2-CD1 3.92Å; T91-Y148 HydrophobicContact CG2-CE1 4.22Å; T91-T150 HydrophobicContact CG2-CG2 4.28Å; T91-T150 WeakPolarHBondContact OG1-CG2 2.79Å; T91-A160 HydrophobicContact CG2-CB 4.43Å; T91-V162 HydrophobicContact CG2-CG2 3.74Å |
| 92 | D | 93.8 | Very high | 92.4 | Very high | 48 Ų | 48 | 70 Ų | 70 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.4 | -48.3 | -164 | -68.7 | 10 | 0 | 0 | 0 | 112 | G89 A94 V95 G96 | G89-D92 PolarHBondContact O-N 3.03Å; D92-A94 VanDerWaalsContact C-N 3.34Å; D92-A94 PolarHBondContact O-N 2.76Å; D92-V95 PolarHBondContact O-N 2.93Å; D92-G96 PolarHBondContact O-N 3.28Å |
| 93 | D | 94.3 | Very high | 91.6 | Very high | 119 Ų | 119 | 70 Ų | 70 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 177.8 | -76 | -0.9 | 0 | 0 | 0 | 112.1 | T91 G96 K97 | T91-D93 PolarHBondContact O-N 3.03Å; D93-G96 PolarHBondContact O-N 3.24Å; D93-K97 VanDerWaalsContact O-CG 3.28Å; D93-K97 WeakPolarHBondContact O-CG 3.28Å; D93-K97 PolarHBondContact O-N 2.9Å |
| 94 | A | 95.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 2% | 0.017 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.4 | -43.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A80 T91 D92 K97 I98 C176 | A80-A94 HydrophobicContact CB-CB 4.21Å; T91-A94 PolarHBondContact O-N 3.39Å; D92-A94 VanDerWaalsContact C-N 3.34Å; D92-A94 PolarHBondContact O-N 2.76Å; A94-K97 PolarHBondContact O-N 3.38Å; A94-I98 WeakPolarHBondContact O-CD1 3Å; A94-I98 VanDerWaalsContact O-CG1 3.24Å; A94-I98 WeakPolarHBondContact O-CG1 3.36Å; A94-I98 PolarHBondContact O-N 3.14Å; A94-C176 HydrophobicContact CB-CB 3.5Å |
| 95 | V | 95.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.012 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | T91 D92 K97 I98 W99 D152 V158 A160 | T91-V95 WeakPolarHBondContact O-CB 3.27Å; T91-V95 VanDerWaalsContact O-CG2 3.27Å; T91-V95 WeakPolarHBondContact O-CG2 3.41Å; T91-V95 PolarHBondContact O-N 3.15Å; D92-V95 PolarHBondContact O-N 2.93Å; V95-K97 PolarHBondContact O-N 3.23Å; V95-I98 PolarHBondContact O-N 2.87Å; V95-W99 VanDerWaalsContact O-CB 3.25Å; V95-W99 WeakPolarHBondContact O-CB 3.27Å; V95-W99 PolarHBondContact O-N 3.46Å; V95-D152 HydrophobicContact CG1-CB 4.27Å; V95-V158 HydrophobicContact CG1-CG1 4.09Å; V95-A160 HydrophobicContact CG2-CB 3.65Å |
| 96 | G | 94.8 | Very high | 89.3 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D92 D93 W99 A100 | D92-G96 PolarHBondContact O-N 3.28Å; D93-G96 PolarHBondContact O-N 3.24Å; G96-W99 PolarHBondContact O-N 2.84Å; G96-A100 WeakPolarHBondContact O-CB 3.35Å; G96-A100 PolarHBondContact O-N 3.47Å |
| 97 | K | 95.2 | Very high | 89 | Confident | 122 Ų | 122 | 58.1 Ų | 58.1 | 53% | 0.53 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 175.4 | -72.2 | 169.6 | -171.9 | 175.4 | 0 | 112.8 | D93 A94 V95 R101 | D93-K97 VanDerWaalsContact O-CG 3.28Å; D93-K97 WeakPolarHBondContact O-CG 3.28Å; D93-K97 PolarHBondContact O-N 2.9Å; A94-K97 PolarHBondContact O-N 3.38Å; V95-K97 PolarHBondContact O-N 3.23Å; K97-R101 WeakPolarHBondContact O-CG 3.44Å; K97-R101 PolarHBondContact O-N 2.9Å |
| 98 | I | 95.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 177.7 | -65.2 | 162.6 | 0 | 0 | 0 | 110.2 | L77 A80 A94 V95 R101 C102 A178 | L77-I98 HydrophobicContact CB-CG2 3.54Å; A80-I98 HydrophobicContact CB-CD1 3.97Å; A80-I98 HydrophobicContact CB-CG1 3.75Å; A94-I98 WeakPolarHBondContact O-CD1 3Å; A94-I98 VanDerWaalsContact O-CG1 3.24Å; A94-I98 WeakPolarHBondContact O-CG1 3.36Å; A94-I98 PolarHBondContact O-N 3.14Å; V95-I98 PolarHBondContact O-N 2.87Å; I98-R101 PolarHBondContact O-N 3.28Å; I98-R101 VanDerWaalsContact O-N 3.16Å; I98-C102 PolarHBondContact O-N 3.15Å; I98-C102 VanDerWaalsContact O-N 3.09Å; I98-A178 HydrophobicContact CD1-CB 3.89Å; I98-A178 HydrophobicContact CG2-CB 4.18Å |
| 99 | W | 94.7 | Very high | 89.3 | Confident | 62 Ų | 62 | 56.6 Ų | 56.6 | 24% | 0.235 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64 | -42 | -179.9 | -172 | -100 | 0 | 0 | 0 | 112 | L77 V95 G96 R101 C102 G103 P104 H155 V158 L180 | L77-W99 HydrophobicContact CD1-CE3 3.94Å; L77-W99 HydrophobicContact CD1-CZ3 4.11Å; V95-W99 VanDerWaalsContact O-CB 3.25Å; V95-W99 WeakPolarHBondContact O-CB 3.27Å; V95-W99 PolarHBondContact O-N 3.46Å; G96-W99 PolarHBondContact O-N 2.84Å; W99-R101 PolarHBondContact O-N 3.15Å; W99-C102 PolarHBondContact O-N 2.89Å; W99-G103 VanDerWaalsContact O-CA 3.31Å; W99-G103 WeakPolarHBondContact O-CA 3.39Å; W99-G103 PolarHBondContact O-N 3.06Å; W99-P104 HydrophobicContact CH2-CB 3.72Å; W99-P104 HydrophobicContact CZ2-CB 3.92Å; W99-P104 HydrophobicContact CZ2-CG 4.26Å; W99-H155 AromaticContact CD1-CD2 3.97Å; W99-H155 AromaticContact CD1-CE1 3.86Å; W99-H155 AromaticContact CD1-NE2 3.33Å; W99-H155 VanDerWaalsContact CD1-NE2 3.33Å; W99-H155 AromaticContact CD2-CD2 3.74Å; W99-H155 AromaticContact CD2-NE2 3.86Å; W99-H155 AromaticContact CE2-CD2 3.45Å; W99-H155 VanDerWaalsContact CE2-CD2 3.45Å; W99-H155 AromaticContact CE2-NE2 3.66Å; W99-H155 AromaticContact CG-CE1 3.88Å; W99-H155 AromaticContact CG-NE2 3.66Å; W99-H155 AromaticContact CZ2-CD2 3.81Å; W99-H155 AromaticContact NE1-CD2 3.59Å; W99-H155 AromaticContact NE1-NE2 3.31Å; W99-H155 PolarHBondContact NE1-NE2 3.34Å; W99-V158 HydrophobicContact CE3-CG2 3.98Å; W99-V158 HydrophobicContact CZ3-CG2 3.72Å; W99-L180 HydrophobicContact CZ3-CD1 4.23Å |
| 100 | A | 93.5 | Very high | 89.5 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 74% | 0.736 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.7 | -30 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | G96 | G96-A100 WeakPolarHBondContact O-CB 3.35Å; G96-A100 PolarHBondContact O-N 3.47Å |
| 101 | R | 91.7 | Very high | 89.6 | Confident | 217 Ų | 217 | 59.5 Ų | 59.5 | 82% | 0.819 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -80.6 | -39.7 | -179.9 | -72.8 | 173.2 | -176.4 | -101.4 | 0.2 | 113.8 | K97 I98 W99 | K97-R101 WeakPolarHBondContact O-CG 3.44Å; K97-R101 PolarHBondContact O-N 2.9Å; I98-R101 PolarHBondContact O-N 3.28Å; I98-R101 VanDerWaalsContact O-N 3.16Å; W99-R101 PolarHBondContact O-N 3.15Å |
| 102 | C | 84.8 | Confident | 89.6 | Confident | 50 Ų | 50 | 59.5 Ų | 59.5 | 34% | 0.338 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -113.4 | -23.8 | -171.9 | -72.8 | 0 | 0 | 0 | 0 | 114.5 | L77 I98 W99 G106 | L77-C102 HydrophobicContact CD2-CB 4.48Å; L77-C102 PolarHBondContact O-SG 3.05Å; I98-C102 PolarHBondContact O-N 3.15Å; I98-C102 VanDerWaalsContact O-N 3.09Å; W99-C102 PolarHBondContact O-N 2.89Å; C102-G106 WeakPolarHBondContact O-CA 3.38Å; C102-G106 PolarHBondContact O-N 3.4Å |
| 103 | G | 77.3 | Confident | 89.7 | Confident | 17 Ų | 17 | 58 Ų | 58 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | -169.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | W99 G105 | W99-G103 VanDerWaalsContact O-CA 3.31Å; W99-G103 WeakPolarHBondContact O-CA 3.39Å; W99-G103 PolarHBondContact O-N 3.06Å; G103-G105 VanDerWaalsContact C-N 3.32Å; G103-G105 PolarHBondContact O-N 2.92Å |
| 104 | P | 72.3 | Confident | 89.7 | Confident | 92 Ų | 92 | 52.5 Ų | 52.5 | 60% | 0.597 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -16.3 | -177.5 | 27.6 | -33.5 | 0 | 0 | 0 | 114.6 | W99 L180 | W99-P104 HydrophobicContact CH2-CB 3.72Å; W99-P104 HydrophobicContact CZ2-CB 3.92Å; W99-P104 HydrophobicContact CZ2-CG 4.26Å; P104-L180 WeakPolarHBondContact O-CD2 3.45Å |
| 105 | G | 72.9 | Confident | 89.5 | Confident | 75 Ų | 75 | 52.8 Ų | 52.8 | 77% | 0.773 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -5.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G103 | G103-G105 VanDerWaalsContact C-N 3.32Å; G103-G105 PolarHBondContact O-N 2.92Å |
| 106 | G | 78.8 | Confident | 89.2 | Confident | 20 Ų | 20 | 56.3 Ų | 56.3 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | trans | -91 | 165.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L77 C102 | L77-G106 WeakPolarHBondContact CD2-O 3.49Å; C102-G106 WeakPolarHBondContact O-CA 3.38Å; C102-G106 PolarHBondContact O-N 3.4Å | ||
| 107 | G | 85.9 | Confident | 88.9 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 111.3 | 170.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y76 | Y76-G107 CarbonylContact O-C 3.54Å; Y76-G107 WeakPolarHBondContact O-CA 3.24Å |
| 108 | T | 91.2 | Very high | 88.8 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 43% | 0.429 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129 | -176.8 | -58.3 | 0 | 0 | 0 | 0 | 110.1 | Y76 M110 | Y76-T108 PolarHBondContact N-O 3.42Å; Y76-T108 PolarHBondContact O-N 3.25Å; T108-M110 HydrophobicContact CG2-CE 3.98Å; T108-M110 HydrophobicContact CG2-CG 4.27Å; T108-M110 PolarHBondContact O-N 2.76Å |
| 109 | K | 92.4 | Very high | 88.9 | Confident | 89 Ų | 89 | 55.9 Ų | 55.9 | 39% | 0.387 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 118.7 | 174.8 | -168.4 | -178.2 | -180 | -177.9 | 0 | 109.9 | T73 W75 C124 | T73-K109 HydrophobicContact CG2-CD 4.38Å; T73-K109 HydrophobicContact CG2-CG 4.07Å; W75-K109 HydrophobicContact CE3-CB 4.22Å; W75-K109 HydrophobicContact CH2-CB 4.34Å; W75-K109 HydrophobicContact CZ3-CB 4.13Å; K109-C124 HydrophobicContact CD-CB 4.23Å; K109-C124 HydrophobicContact CG-CB 4.11Å; K109-C124 PolarHBondContact O-N 3.07Å; K109-C124 VanDerWaalsContact O-N 3.16Å |
| 110 | M | 93.4 | Very high | 88.9 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 5% | 0.054 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.3 | -178.9 | -65 | -167.7 | 178.4 | 0 | 0 | 111.2 | V74 Y76 T108 M121 Q122 | V74-M110 HydrophobicContact CG2-CB 4.37Å; V74-M110 PolarHBondContact N-O 3.25Å; V74-M110 PolarHBondContact O-N 2.76Å; Y76-M110 HydrophobicContact CD1-CE 3.93Å; Y76-M110 HydrophobicContact CD1-SD 4.34Å; Y76-M110 HydrophobicContact CG-CE 4.26Å; Y76-M110 HydrophobicContact CG-SD 4.08Å; T108-M110 HydrophobicContact CG2-CE 3.98Å; T108-M110 HydrophobicContact CG2-CG 4.27Å; T108-M110 PolarHBondContact O-N 2.76Å; M110-M121 HydrophobicContact CB-CE 4.11Å; M110-M121 HydrophobicContact CG-CE 4.35Å; M110-M121 HydrophobicContact SD-CB 4.25Å; M110-M121 HydrophobicContact SD-CE 3.39Å; M110-M121 WeakPolarHBondContact SD-CE 3.43Å; M110-Q122 CarbonylContact C-O 3.5Å; M110-Q122 WeakPolarHBondContact CA-O 3.48Å |
| 111 | K | 94.4 | Very high | 88.9 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 112.9 | 168.9 | -174.1 | 175 | 176.7 | 178.9 | 0 | 107.7 | T71 M121 Q122 | T71-K111 HydrophobicContact CG2-CD 3.81Å; T71-K111 HydrophobicContact CG2-CG 3.23Å; K111-M121 WeakPolarHBondContact O-CA 3.22Å; K111-Q122 HydrophobicContact CB-CB 4.46Å; K111-Q122 PolarHBondContact N-O 3.11Å; K111-Q122 PolarHBondContact O-N 3.11Å |
| 112 | L | 95.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.1 | 177.9 | -177.6 | 155.3 | 0 | 0 | 0 | 109.1 | T71 Y72 V74 I119 R120 M121 V179 L190 | T71-L112 CarbonylContact C-O 3.56Å; T71-L112 WeakPolarHBondContact CA-O 3.31Å; Y72-L112 HydrophobicContact CD2-CD2 4.29Å; Y72-L112 PolarHBondContact N-O 3.37Å; Y72-L112 PolarHBondContact O-N 3.29Å; V74-L112 HydrophobicContact CG1-CB 4.08Å; V74-L112 HydrophobicContact CG2-CB 3.75Å; V74-L112 HydrophobicContact CG2-CD1 4.28Å; L112-I119 HydrophobicContact CD1-CG2 3.9Å; L112-I119 HydrophobicContact CD2-CG2 4.09Å; L112-I119 HydrophobicContact CG-CG2 3.7Å; L112-R120 CarbonylContact C-O 3.51Å; L112-R120 WeakPolarHBondContact CA-O 3.42Å; L112-M121 HydrophobicContact CD1-CG 4.48Å; L112-M121 HydrophobicContact CG-CG 4.42Å; L112-V179 HydrophobicContact CD1-CG1 4.44Å; L112-V179 HydrophobicContact CD1-CG2 4.24Å; L112-L190 HydrophobicContact CD1-CD2 4.33Å; L112-L190 HydrophobicContact CD2-CD1 3.99Å; L112-L190 HydrophobicContact CD2-CD2 3.95Å |
| 113 | T | 95.2 | Very high | 89.2 | Confident | 18 Ų | 18 | 46.1 Ų | 46.1 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.5 | 176.4 | -59.6 | 0 | 0 | 0 | 0 | 108.9 | D69 T71 R120 | D69-T113 HydrophobicContact CB-CG2 3.43Å; D69-T113 VanDerWaalsContact CB-CG2 3.43Å; T71-T113 WeakPolarHBondContact CG2-OG1 3.41Å; T71-T113 WeakPolarHBondContact OG1-CG2 3.45Å; T71-T113 PolarHBondContact OG1-OG1 3.06Å; T113-R120 PolarHBondContact N-O 3.1Å; T113-R120 PolarHBondContact O-N 2.81Å |
| 114 | L | 94.6 | Very high | 89.5 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.2 | 178.5 | -174.2 | 87.4 | 0 | 0 | 0 | 109.3 | D69 P70 I119 L190 L193 L194 | D69-L114 WeakPolarHBondContact CB-O 3.48Å; P70-L114 VanDerWaalsContact CD-O 3.3Å; P70-L114 WeakPolarHBondContact CD-O 3.3Å; P70-L114 HydrophobicContact CG-CB 4.46Å; P70-L114 PolarHBondContact O-N 3.31Å; L114-I119 HydrophobicContact CD1-CG1 4.03Å; L114-L190 HydrophobicContact CB-CD1 4.35Å; L114-L190 HydrophobicContact CD2-CD1 4.37Å; L114-L193 HydrophobicContact CD2-CB 3.92Å; L114-L193 HydrophobicContact CD2-CD2 3.39Å; L114-L193 HydrophobicContact CD2-CG 3.34Å; L114-L194 HydrophobicContact CD1-CB 3.78Å; L114-L194 HydrophobicContact CD1-CD1 3.51Å; L114-L194 HydrophobicContact CD1-CG 4.12Å; L114-L194 HydrophobicContact CD2-CB 4.4Å |
| 115 | G | 90.6 | Very high | 89.4 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 8% | 0.082 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | -179 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D69 H117 G118 | D69-G115 VanDerWaalsContact CG-CA 3.48Å; D69-G115 WeakPolarHBondContact OD1-CA 3.42Å; D69-G115 WeakPolarHBondContact OD2-CA 3.44Å; G115-H117 PolarHBondContact O-N 2.76Å; G115-H117 VanDerWaalsContact O-N 3.15Å; G115-G118 PolarHBondContact N-O 3.02Å; G115-G118 PolarHBondContact O-N 2.67Å |
| 116 | P | 88.4 | Confident | 88.7 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15.1 | -178 | 27.7 | -36 | 0 | 0 | 0 | 113.9 | L143 | P116-L143 WeakPolarHBondContact O-CD1 3.38Š|
| 117 | H | 89.2 | Confident | 87.5 | Confident | 137 Ų | 137 | 59 Ų | 59 | 63% | 0.634 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -11.7 | 176.3 | -55.9 | -65.4 | 0 | 0 | 0 | 113.2 | G115 L142 L143 | G115-H117 PolarHBondContact O-N 2.76Å; G115-H117 VanDerWaalsContact O-N 3.15Å; H117-L142 WeakPolarHBondContact O-CA 3.49Å; H117-L143 PolarHBondContact O-N 2.82Å |
| 118 | G | 93.8 | Very high | 85.7 | Confident | 7 Ų | 7 | 63 Ų | 63 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.4 | -142.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G115 Y141 | G115-G118 PolarHBondContact N-O 3.02Å; G115-G118 PolarHBondContact O-N 2.67Å; G118-Y141 WeakPolarHBondContact CA-O 3.46Å |
| 119 | I | 96.2 | Very high | 83.4 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.015 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128.7 | -172.4 | -49.8 | 171.5 | 0 | 0 | 0 | 109 | L112 L114 M121 Y141 I146 F159 W161 L194 | L112-I119 HydrophobicContact CD1-CG2 3.9Å; L112-I119 HydrophobicContact CD2-CG2 4.09Å; L112-I119 HydrophobicContact CG-CG2 3.7Å; L114-I119 HydrophobicContact CD1-CG1 4.03Å; I119-M121 HydrophobicContact CG2-CG 4.19Å; I119-Y141 HydrophobicContact CB-CD2 4.35Å; I119-Y141 PolarHBondContact N-O 3.46Å; I119-Y141 PolarHBondContact O-N 3.01Å; I119-I146 HydrophobicContact CD1-CD1 3.93Å; I119-I146 HydrophobicContact CG1-CD1 4.03Å; I119-F159 HydrophobicContact CD1-CE1 4.45Å; I119-W161 HydrophobicContact CD1-CD2 3.8Å; I119-W161 HydrophobicContact CD1-CE3 4.25Å; I119-W161 HydrophobicContact CD1-CG 4Å; I119-W161 HydrophobicContact CD1-CZ2 4.44Å; I119-L194 HydrophobicContact CD1-CD2 3.8Å; I119-L194 HydrophobicContact CG1-CD1 4.16Å; I119-L194 HydrophobicContact CG1-CD2 4.29Å |
| 120 | R | 94.5 | Very high | 81.2 | Confident | 114 Ų | 114 | 64.7 Ų | 64.7 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128 | 171.1 | -165.1 | -175.4 | -50.9 | -91.2 | 0.1 | 109.2 | L112 T113 | L112-R120 CarbonylContact C-O 3.51Å; L112-R120 WeakPolarHBondContact CA-O 3.42Å; T113-R120 PolarHBondContact N-O 3.1Å; T113-R120 PolarHBondContact O-N 2.81Å |
| 121 | M | 93.8 | Very high | 78.9 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.8 | 177.4 | -66.8 | -175.8 | 73.7 | 0 | 0 | 109.7 | V74 Y76 M110 K111 L112 I119 A138 H139 Y141 W161 V179 | V74-M121 HydrophobicContact CG2-CE 4.45Å; Y76-M121 HydrophobicContact CD2-CE 3.56Å; Y76-M121 HydrophobicContact CD2-SD 4.32Å; Y76-M121 HydrophobicContact CE2-CE 4.36Å; Y76-M121 HydrophobicContact CG-CE 3.87Å; M110-M121 HydrophobicContact CB-CE 4.11Å; M110-M121 HydrophobicContact CG-CE 4.35Å; M110-M121 HydrophobicContact SD-CB 4.25Å; M110-M121 HydrophobicContact SD-CE 3.39Å; M110-M121 WeakPolarHBondContact SD-CE 3.43Å; K111-M121 WeakPolarHBondContact O-CA 3.22Å; L112-M121 HydrophobicContact CD1-CG 4.48Å; L112-M121 HydrophobicContact CG-CG 4.42Å; I119-M121 HydrophobicContact CG2-CG 4.19Å; M121-A138 CarbonylContact O-C 3.51Å; M121-A138 WeakPolarHBondContact O-CA 3.46Å; M121-H139 HydrophobicContact CB-CB 4.34Å; M121-H139 PolarHBondContact N-O 3.49Å; M121-H139 PolarHBondContact O-N 3.24Å; M121-Y141 HydrophobicContact CG-CE2 4.34Å; M121-Y141 HydrophobicContact SD-CD2 4.49Å; M121-Y141 HydrophobicContact SD-CE2 3.78Å; M121-W161 HydrophobicContact SD-CH2 3.64Å; M121-W161 HydrophobicContact SD-CZ2 3.95Å; M121-V179 HydrophobicContact CE-CG1 3.78Å |
| 122 | Q | 92 | Very high | 76.6 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 29% | 0.29 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.6 | 177.3 | -70 | 175.8 | -2.3 | 0 | 0 | 109.2 | M110 K111 C124 A138 | M110-Q122 CarbonylContact C-O 3.5Å; M110-Q122 WeakPolarHBondContact CA-O 3.48Å; K111-Q122 HydrophobicContact CB-CB 4.46Å; K111-Q122 PolarHBondContact N-O 3.11Å; K111-Q122 PolarHBondContact O-N 3.11Å; Q122-C124 PolarHBondContact O-N 3.27Å; Q122-A138 HydrophobicContact CG-CB 3.73Å |
| 123 | P | 89.9 | Confident | 74.5 | Confident | 36 Ų | 36 | 72.8 Ų | 72.8 | 23% | 0.234 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 137.8 | 170.3 | -25.7 | 37.6 | 0 | 0 | 0 | 110.5 | E125 R136 | P123-E125 PolarHBondContact O-N 3.44Å; P123-R136 HydrophobicContact CG-CB 3.79Å |
| 124 | C | 83.9 | Confident | 72.4 | Confident | 43 Ų | 43 | 74.9 Ų | 74.9 | 29% | 0.291 | 50% | 0.498 | S | S | . | . | trans | -74.3 | 112.8 | 168 | -70 | 0 | 0 | 0 | 0 | 107.7 | K109 Q122 R126 | K109-C124 HydrophobicContact CD-CB 4.23Å; K109-C124 HydrophobicContact CG-CB 4.11Å; K109-C124 PolarHBondContact O-N 3.07Å; K109-C124 VanDerWaalsContact O-N 3.16Å; Q122-C124 PolarHBondContact O-N 3.27Å; C124-R126 PolarHBondContact O-N 3.38Å | ||
| 125 | E | 70.7 | Confident | 70.8 | Confident | 172 Ų | 172 | 84.9 Ų | 84.9 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | trans | -58 | 108.7 | 171.5 | -69.6 | -171.5 | 174.9 | 0 | 0 | 108.5 | P123 G127 | P123-E125 PolarHBondContact O-N 3.44Å; E125-G127 PolarHBondContact O-N 2.88Å | ||
| 126 | R | 59 | Low | 69.4 | Low | 183 Ų | 183 | 93.4 Ų | 93.4 | 69% | 0.691 | 57% | 0.565 | S | S | * | * | trans | -87.7 | 104.7 | 170.1 | -175.3 | 179.6 | -68.1 | -123.9 | 5.2 | 105.3 | C124 T128 | C124-R126 PolarHBondContact O-N 3.38Å; R126-T128 PolarHBondContact O-N 3.21Å | ||
| 127 | G | 53.3 | Low | 68.4 | Low | 78 Ų | 78 | 94.6 Ų | 94.6 | 80% | 0.804 | 57% | 0.573 | S | S | * | * | trans | -62.3 | 96.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | E125 | E125-G127 PolarHBondContact O-N 2.88Š| ||
| 128 | T | 47.8 | Very low | 68 | Low | 117 Ų | 117 | 90.4 Ų | 90.4 | 72% | 0.718 | 56% | 0.563 | S | S | * | * | trans | -163.4 | 126.5 | 157.4 | 40.3 | 0 | 0 | 0 | 0 | 109.2 | R126 | R126-T128 PolarHBondContact O-N 3.21Š| ||
| 129 | A | 42.7 | Very low | 67.9 | Low | 103 Ų | 103 | 94.3 Ų | 94.3 | 85% | 0.851 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 81.9 | 113.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 130 | G | 47.2 | Very low | 67.7 | Low | 92 Ų | 92 | 96.9 Ų | 96.9 | 95% | 0.948 | 60% | 0.6 | S | S | * | * | trans | -61.2 | 133 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 131 | G | 45 | Very low | 67.8 | Low | 66 Ų | 66 | 92.2 Ų | 92.2 | 68% | 0.68 | 58% | 0.583 | S | S | * | * | trans | 172.7 | 109.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | G133 | G131-G133 PolarHBondContact O-N 2.83Š| ||
| 132 | S | 45 | Very low | 67.8 | Low | 121 Ų | 121 | 96.1 Ų | 96.1 | 85% | 0.846 | 60% | 0.603 | S | S | * | * | trans | 4.6 | 102.6 | 172.4 | 57.6 | 0 | 0 | 0 | 0 | 118.3 | G134 | S132-G134 VanDerWaalsContact C-N 3.27Å; S132-G134 PolarHBondContact O-N 3.15Å | ||
| 133 | G | 51.5 | Low | 68 | Low | 90 Ų | 90 | 94 Ų | 94 | 93% | 0.928 | 59% | 0.594 | S | S | * | * | 53.1 | 19.9 | 114.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | G131 | G131-G133 PolarHBondContact O-N 2.83Š| |||
| 134 | G | 51.4 | Low | 68.2 | Low | 62 Ų | 62 | 98.3 Ų | 98.3 | 64% | 0.639 | 62% | 0.622 | S | S | * | * | trans | -98.4 | 86.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S132 R136 | S132-G134 VanDerWaalsContact C-N 3.27Å; S132-G134 PolarHBondContact O-N 3.15Å; G134-R136 PolarHBondContact O-N 3.16Å | ||
| 135 | R | 60.8 | Low | 68.7 | Low | 213 Ų | 213 | 99.8 Ų | 99.8 | 80% | 0.804 | 62% | 0.621 | S | S | * | * | trans | -56.9 | 102.4 | 168.3 | -172.2 | -178.5 | -175.7 | -162.3 | 4.1 | 108 | ||||
| 136 | R | 62 | Low | 69.9 | Low | 186 Ų | 186 | 92.8 Ų | 92.8 | 70% | 0.702 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 136.4 | -179.7 | -84.2 | -167.2 | 160.6 | -157 | -5.2 | 109.6 | P123 G134 A138 | P123-R136 HydrophobicContact CG-CB 3.79Å; G134-R136 PolarHBondContact O-N 3.16Å; R136-A138 PolarHBondContact O-N 3.15Å |
| 137 | P | 66.1 | Low | 71.7 | Confident | 100 Ų | 100 | 86.6 Ų | 86.6 | 65% | 0.649 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 131.3 | -174.6 | 21.4 | -30.7 | 0 | 0 | 0 | 110.4 | H139 | P137-H139 PolarHBondContact O-N 3.46Š|
| 138 | A | 81.9 | Confident | 73.7 | Confident | 50 Ų | 50 | 84.9 Ų | 84.9 | 41% | 0.413 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 127.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | M121 Q122 R136 | M121-A138 CarbonylContact O-C 3.51Å; M121-A138 WeakPolarHBondContact O-CA 3.46Å; Q122-A138 HydrophobicContact CG-CB 3.73Å; R136-A138 PolarHBondContact O-N 3.15Å |
| 139 | H | 90.4 | Very high | 76 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 127.4 | 174.2 | -58.8 | -61.2 | 0 | 0 | 0 | 109.3 | M121 P137 Y141 | M121-H139 HydrophobicContact CB-CB 4.34Å; M121-H139 PolarHBondContact N-O 3.49Å; M121-H139 PolarHBondContact O-N 3.24Å; P137-H139 PolarHBondContact O-N 3.46Å; H139-Y141 HydrophobicContact CB-CE2 4.13Å |
| 140 | A | 93.4 | Very high | 78.5 | Confident | 56 Ų | 56 | 77.2 Ų | 77.2 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 141 | Y | 95.6 | Very high | 80.8 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 6% | 0.063 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 107.7 | 174.4 | -58.9 | -83.2 | 0 | 0 | 0 | 108.5 | G118 I119 M121 H139 W161 Y163 H177 | G118-Y141 WeakPolarHBondContact CA-O 3.46Å; I119-Y141 HydrophobicContact CB-CD2 4.35Å; I119-Y141 PolarHBondContact N-O 3.46Å; I119-Y141 PolarHBondContact O-N 3.01Å; M121-Y141 HydrophobicContact CG-CE2 4.34Å; M121-Y141 HydrophobicContact SD-CD2 4.49Å; M121-Y141 HydrophobicContact SD-CE2 3.78Å; H139-Y141 HydrophobicContact CB-CE2 4.13Å; Y141-W161 AromaticContact CD1-NE1 3.75Å; Y141-W161 AromaticContact CD2-CZ2 3.84Å; Y141-W161 HydrophobicContact CD2-CZ2 3.84Å; Y141-W161 HydrophobicContact CE1-CZ2 4.49Å; Y141-W161 AromaticContact CE2-CZ2 3.64Å; Y141-W161 HydrophobicContact CE2-CZ2 3.64Å; Y141-W161 HydrophobicContact CG-CZ2 4.35Å; Y141-W161 AromaticContact CG-NE1 3.73Å; Y141-W161 AromaticContact CZ-CZ2 3.98Å; Y141-Y163 HydrophobicContact CD1-CD1 4Å; Y141-Y163 AromaticContact CD1-CD2 3.66Å; Y141-Y163 HydrophobicContact CD1-CD2 3.66Å; Y141-Y163 HydrophobicContact CD1-CE1 4.18Å; Y141-Y163 AromaticContact CD1-CE2 3.88Å; Y141-Y163 HydrophobicContact CD1-CE2 3.88Å; Y141-Y163 AromaticContact CD1-CG 3.69Å; Y141-Y163 HydrophobicContact CD1-CG 3.69Å; Y141-Y163 HydrophobicContact CE1-CD1 4.47Å; Y141-Y163 HydrophobicContact CE1-CG 4.37Å; Y141-Y163 HydrophobicContact CG-CD2 4.28Å; Y141-Y163 HydrophobicContact CG-CE2 4.31Å; Y141-H177 AromaticContact CE1-CD2 3.82Å; Y141-H177 AromaticContact CE1-CE1 3.62Å; Y141-H177 AromaticContact CE1-NE2 3.45Å; Y141-H177 WeakPolarHBondContact CE1-NE2 3.15Å; Y141-H177 AromaticContact CZ-CE1 3.81Å; Y141-H177 AromaticContact CZ-ND1 3.87Å; Y141-H177 PolarHBondContact OH-CE1 3.34Å; Y141-H177 VanDerWaalsContact OH-CE1 3.25Å; Y141-H177 PolarHBondContact OH-ND1 2.85Å |
| 142 | L | 95.3 | Very high | 83.2 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 44% | 0.435 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 136.5 | -178.1 | -58.6 | 176 | 0 | 0 | 0 | 111.1 | H117 P144 R145 I146 Y163 | H117-L142 WeakPolarHBondContact O-CA 3.49Å; L142-P144 VanDerWaalsContact C-CD 3.46Å; L142-R145 PolarHBondContact O-N 2.89Å; L142-I146 PolarHBondContact O-N 2.99Å; L142-Y163 PolarHBondContact N-OH 2.85Å |
| 143 | L | 94.7 | Very high | 85.4 | Confident | 18 Ų | 18 | 68.7 Ų | 68.7 | 9% | 0.094 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -49.9 | -46.3 | 178.3 | -93.1 | 157 | 0 | 0 | 0 | 114.5 | P116 H117 R145 I146 L194 T197 A198 A201 | P116-L143 WeakPolarHBondContact O-CD1 3.38Å; H117-L143 PolarHBondContact O-N 2.82Å; L143-R145 PolarHBondContact O-N 3.45Å; L143-I146 PolarHBondContact O-N 3.24Å; L143-L194 HydrophobicContact CD2-CD1 3.86Å; L143-T197 HydrophobicContact CD1-CG2 3.97Å; L143-A198 HydrophobicContact CD2-CB 3.54Å; L143-A201 HydrophobicContact CD1-CB 4.36Å |
| 144 | P | 94.4 | Very high | 87.3 | Confident | 126 Ų | 126 | 72.7 Ų | 72.7 | 82% | 0.818 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -60.7 | -18.8 | -179.3 | -24.9 | 35.3 | 0 | 0 | 0 | 114.4 | L142 | L142-P144 VanDerWaalsContact C-CD 3.46Š|
| 145 | R | 95.3 | Very high | 89.2 | Confident | 75 Ų | 75 | 71.9 Ų | 71.9 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -101.1 | -8.2 | -179.1 | -66.8 | 173.6 | -179.5 | -102.7 | 5.7 | 113 | L142 L143 Y163 R164 Q166 | L142-R145 PolarHBondContact O-N 2.89Å; L143-R145 PolarHBondContact O-N 3.45Å; R145-Y163 HydrophobicContact CB-CD2 3.99Å; R145-Y163 HydrophobicContact CB-CE1 4.26Å; R145-Y163 HydrophobicContact CB-CE2 3.38Å; R145-Y163 VanDerWaalsContact CD-OH 3.22Å; R145-Y163 WeakPolarHBondContact CD-OH 3.3Å; R145-R164 HydrophobicContact CB-CB 4.46Å; R145-R164 WeakPolarHBondContact O-CB 3.31Å; R145-R164 PolarHBondContact O-N 2.9Å; R145-Q166 VanDerWaalsContact NH1-CD 3.25Å; R145-Q166 VanDerWaalsContact NH1-NE2 3.12Å; R145-Q166 VanDerWaalsContact NH2-NE2 3.11Å |
| 146 | I | 95.9 | Very high | 90.8 | Very high | 24 Ų | 24 | 65.1 Ų | 65.1 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 115.6 | 174.2 | -62.8 | 168.3 | 0 | 0 | 0 | 108.2 | I119 L142 L143 W161 V162 Y163 L194 | I119-I146 HydrophobicContact CD1-CD1 3.93Å; I119-I146 HydrophobicContact CG1-CD1 4.03Å; L142-I146 PolarHBondContact O-N 2.99Å; L143-I146 PolarHBondContact O-N 3.24Å; I146-W161 HydrophobicContact CG2-CB 4.33Å; I146-V162 WeakPolarHBondContact CA-O 3.49Å; I146-Y163 HydrophobicContact CG1-CD2 3.7Å; I146-Y163 HydrophobicContact CG1-CE2 4.15Å; I146-L194 HydrophobicContact CD1-CD1 4.33Å |
| 147 | T | 95.4 | Very high | 92.4 | Very high | 54 Ų | 54 | 61.5 Ų | 61.5 | 33% | 0.331 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -30.3 | -175.9 | 59 | 0 | 0 | 0 | 0 | 112.7 | A85 V162 L174 | A85-T147 HydrophobicContact CB-CG2 4.34Å; A85-T147 WeakPolarHBondContact O-CB 3.47Å; A85-T147 PolarHBondContact O-OG1 2.79Å; T147-V162 PolarHBondContact N-O 2.9Å; T147-V162 WeakPolarHBondContact OG1-CB 3.42Å; T147-V162 WeakPolarHBondContact OG1-CG1 3.33Å; T147-L174 HydrophobicContact CG2-CD2 4.47Å |
| 148 | Y | 95.9 | Very high | 93.8 | Very high | 42 Ų | 42 | 56.7 Ų | 56.7 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 149.8 | -178.2 | -171.4 | -103.8 | 0 | 0 | 0 | 111.4 | A85 K86 C90 T91 T150 W161 V162 | A85-Y148 WeakPolarHBondContact O-CB 3.32Å; K86-Y148 HydrophobicContact CG-CD2 4.11Å; C90-Y148 WeakPolarHBondContact SG-CD1 3.39Å; C90-Y148 VanDerWaalsContact SG-CE1 3.6Å; T91-Y148 HydrophobicContact CG2-CD1 3.92Å; T91-Y148 HydrophobicContact CG2-CE1 4.22Å; Y148-T150 HydrophobicContact CD1-CG2 4.43Å; Y148-T150 HydrophobicContact CE1-CG2 3.69Å; Y148-W161 CarbonylContact O-C 3.58Å; Y148-W161 VanDerWaalsContact O-CA 3.26Å; Y148-W161 WeakPolarHBondContact O-CA 3.39Å; Y148-W161 WeakPolarHBondContact O-CB 3.3Å; Y148-V162 PolarHBondContact O-N 2.8Å |
| 149 | C | 95.6 | Very high | 94.5 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 142.2 | 173 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | F159 A160 W161 L194 | C149-F159 HydrophobicContact CB-CE2 4.11Å; C149-F159 HydrophobicContact CB-CZ 4.13Å; C149-A160 WeakPolarHBondContact CA-O 3.46Å; C149-W161 HydrophobicContact CB-CB 4.08Å; C149-L194 HydrophobicContact CB-CD2 3.62Å; C149-L194 HydrophobicContact CB-CG 4.46Å |
| 150 | T | 95.8 | Very high | 94.8 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 160.2 | -179.7 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | T91 Y148 F159 A160 | T91-T150 HydrophobicContact CG2-CG2 4.28Å; T91-T150 WeakPolarHBondContact OG1-CG2 2.79Å; Y148-T150 HydrophobicContact CD1-CG2 4.43Å; Y148-T150 HydrophobicContact CE1-CG2 3.69Å; T150-F159 VanDerWaalsContact O-CD2 3.23Å; T150-F159 WeakPolarHBondContact O-CD2 3.07Å; T150-A160 PolarHBondContact N-O 3.04Å; T150-A160 PolarHBondContact O-N 3.34Å; T150-A160 VanDerWaalsContact O-O 3.09Å |
| 151 | A | 95.9 | Very high | 95 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 129.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | V158 A187 R188 | A151-V158 WeakPolarHBondContact CA-O 3.28Å; A151-A187 HydrophobicContact CB-CB 4.19Å; A151-R188 HydrophobicContact CB-CB 4.5Å; A151-R188 HydrophobicContact CB-CG 3.82Å |
| 152 | D | 94.6 | Very high | 95.1 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | trans | -62.8 | 138.5 | -174.5 | -179.7 | 31.6 | 0 | 0 | 0 | 111.2 | V95 R154 H155 P156 V158 | V95-D152 HydrophobicContact CG1-CB 4.27Å; D152-R154 PolarHBondContact OD1-N 3.04Å; D152-H155 CarbonylContact O-C 3.56Å; D152-H155 VanDerWaalsContact OD2-CB 3.31Å; D152-H155 WeakPolarHBondContact OD2-CB 3.31Å; D152-H155 IonicContact OD2-CE1 3.37Å; D152-H155 IonicContact OD2-CG 2.76Å; D152-H155 PolarHBondContact OD2-N 2.9Å; D152-H155 IonicContact OD2-ND1 3.16Å; D152-H155 PolarHBondContact OD2-ND1 3.35Å; D152-P156 WeakPolarHBondContact O-CA 3.33Å; D152-V158 HydrophobicContact CB-CB 4.16Å; D152-V158 HydrophobicContact CB-CG1 4.44Å; D152-V158 PolarHBondContact N-O 3.44Å | ||
| 153 | G | 90.9 | Very high | 95.1 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 77% | 0.773 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -75.3 | -35.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 154 | R | 91.8 | Very high | 95.2 | Very high | 173 Ų | 173 | 48.4 Ų | 48.4 | 65% | 0.653 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -78.4 | -39.6 | -179.7 | -60 | -178.3 | -172.1 | -177.5 | 4.5 | 111.4 | D152 P156 | D152-R154 PolarHBondContact OD1-N 3.04Å; R154-P156 WeakPolarHBondContact O-CD 3.45Å |
| 155 | H | 92.4 | Very high | 95.2 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 21% | 0.208 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -117.8 | 88.1 | 177.8 | -47.7 | 92.4 | 0 | 0 | 0 | 110.2 | W99 D152 R157 V158 | W99-H155 AromaticContact CD1-CD2 3.97Å; W99-H155 AromaticContact CD1-CE1 3.86Å; W99-H155 AromaticContact CD1-NE2 3.33Å; W99-H155 VanDerWaalsContact CD1-NE2 3.33Å; W99-H155 AromaticContact CD2-CD2 3.74Å; W99-H155 AromaticContact CD2-NE2 3.86Å; W99-H155 AromaticContact CE2-CD2 3.45Å; W99-H155 VanDerWaalsContact CE2-CD2 3.45Å; W99-H155 AromaticContact CE2-NE2 3.66Å; W99-H155 AromaticContact CG-CE1 3.88Å; W99-H155 AromaticContact CG-NE2 3.66Å; W99-H155 AromaticContact CZ2-CD2 3.81Å; W99-H155 AromaticContact NE1-CD2 3.59Å; W99-H155 AromaticContact NE1-NE2 3.31Å; W99-H155 PolarHBondContact NE1-NE2 3.34Å; D152-H155 CarbonylContact O-C 3.56Å; D152-H155 VanDerWaalsContact OD2-CB 3.31Å; D152-H155 WeakPolarHBondContact OD2-CB 3.31Å; D152-H155 IonicContact OD2-CE1 3.37Å; D152-H155 IonicContact OD2-CG 2.76Å; D152-H155 PolarHBondContact OD2-N 2.9Å; D152-H155 IonicContact OD2-ND1 3.16Å; D152-H155 PolarHBondContact OD2-ND1 3.35Å; H155-R157 PolarHBondContact O-N 2.84Å; H155-V158 HydrophobicContact CB-CB 4.06Å; H155-V158 HydrophobicContact CB-CG2 3.6Å; H155-V158 WeakPolarHBondContact O-CB 3.43Å; H155-V158 PolarHBondContact O-N 3.12Å |
| 156 | P | 93.6 | Very high | 95 | Very high | 72 Ų | 72 | 47.1 Ų | 47.1 | 47% | 0.468 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -10.7 | -167.3 | 26.8 | -37.1 | 0 | 0 | 0 | 114.8 | D152 R154 A184 | D152-P156 WeakPolarHBondContact O-CA 3.33Å; R154-P156 WeakPolarHBondContact O-CD 3.45Å; P156-A184 HydrophobicContact CB-CB 3.87Å; P156-A184 HydrophobicContact CG-CB 4.44Å; P156-A184 WeakPolarHBondContact O-CA 3.46Å; P156-A184 WeakPolarHBondContact O-CB 3.41Å |
| 157 | R | 95.3 | Very high | 94.6 | Very high | 109 Ų | 109 | 48.1 Ų | 48.1 | 41% | 0.411 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -10.4 | 174.1 | -67.3 | 176.3 | 59.4 | -168.4 | -4.5 | 113.3 | H155 L180 L181 A182 A184 | H155-R157 PolarHBondContact O-N 2.84Å; R157-L180 HydrophobicContact CB-CD1 3.55Å; R157-L181 PolarHBondContact NE-O 2.92Å; R157-L181 PolarHBondContact NH2-O 3.32Å; R157-L181 PolarHBondContact O-N 3.38Å; R157-A182 PolarHBondContact NE-O 3.25Å; R157-A184 HydrophobicContact CG-CB 4.23Å |
| 158 | V | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 128.9 | -178.8 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | L77 V95 W99 A151 D152 H155 A178 V179 L180 | L77-V158 HydrophobicContact CD1-CG2 4.25Å; V95-V158 HydrophobicContact CG1-CG1 4.09Å; W99-V158 HydrophobicContact CE3-CG2 3.98Å; W99-V158 HydrophobicContact CZ3-CG2 3.72Å; A151-V158 WeakPolarHBondContact CA-O 3.28Å; D152-V158 HydrophobicContact CB-CB 4.16Å; D152-V158 HydrophobicContact CB-CG1 4.44Å; D152-V158 PolarHBondContact N-O 3.44Å; H155-V158 HydrophobicContact CB-CB 4.06Å; H155-V158 HydrophobicContact CB-CG2 3.6Å; H155-V158 WeakPolarHBondContact O-CB 3.43Å; H155-V158 PolarHBondContact O-N 3.12Å; V158-A178 HydrophobicContact CG1-CB 4.07Å; V158-V179 CarbonylContact C-O 3.51Å; V158-V179 WeakPolarHBondContact CA-O 3.5Å; V158-L180 HydrophobicContact CG2-CD1 3.97Å |
| 159 | F | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.4 | 168.7 | 170.8 | -111.4 | 0 | 0 | 0 | 108.4 | I119 C149 T150 W161 A178 V179 L181 A187 L190 A191 L194 | I119-F159 HydrophobicContact CD1-CE1 4.45Å; C149-F159 HydrophobicContact CB-CE2 4.11Å; C149-F159 HydrophobicContact CB-CZ 4.13Å; T150-F159 VanDerWaalsContact O-CD2 3.23Å; T150-F159 WeakPolarHBondContact O-CD2 3.07Å; F159-W161 AromaticContact CD1-CE3 3.92Å; F159-W161 HydrophobicContact CD1-CE3 3.92Å; F159-W161 HydrophobicContact CD1-CZ3 4.11Å; F159-W161 HydrophobicContact CE1-CD2 4.46Å; F159-W161 AromaticContact CE1-CE3 3.58Å; F159-W161 HydrophobicContact CE1-CE3 3.58Å; F159-W161 HydrophobicContact CE1-CZ3 4.09Å; F159-W161 HydrophobicContact CZ-CE3 4.38Å; F159-A178 WeakPolarHBondContact O-CA 3.28Å; F159-V179 HydrophobicContact CB-CG2 3.86Å; F159-V179 HydrophobicContact CD1-CG2 3.73Å; F159-V179 HydrophobicContact CG-CG2 4.29Å; F159-V179 PolarHBondContact N-O 3.02Å; F159-V179 PolarHBondContact O-N 3.06Å; F159-L181 HydrophobicContact CB-CD1 3.51Å; F159-A187 HydrophobicContact CB-CB 4.3Å; F159-L190 HydrophobicContact CB-CD2 4.44Å; F159-L190 HydrophobicContact CD1-CD2 3.5Å; F159-L190 HydrophobicContact CD1-CG 4.11Å; F159-L190 HydrophobicContact CE1-CD2 3.86Å; F159-L190 HydrophobicContact CE1-CG 4.09Å; F159-L190 HydrophobicContact CG-CD2 3.92Å; F159-L190 HydrophobicContact CG-CG 4.36Å; F159-L190 HydrophobicContact CZ-CG 4.34Å; F159-A191 HydrophobicContact CD2-CB 3.81Å; F159-A191 VanDerWaalsContact CE2-CA 3.46Å; F159-A191 HydrophobicContact CE2-CB 3.6Å; F159-L194 HydrophobicContact CZ-CD2 3.77Å |
| 160 | A | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T91 V95 C149 T150 H177 | T91-A160 HydrophobicContact CG2-CB 4.43Å; V95-A160 HydrophobicContact CG2-CB 3.65Å; C149-A160 WeakPolarHBondContact CA-O 3.46Å; T150-A160 PolarHBondContact N-O 3.04Å; T150-A160 PolarHBondContact O-N 3.34Å; T150-A160 VanDerWaalsContact O-O 3.09Å; A160-H177 WeakPolarHBondContact CA-O 3.33Å |
| 161 | W | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 149 | 171.6 | 70 | 97 | 0 | 0 | 0 | 111 | I119 M121 Y141 I146 Y148 C149 F159 C176 H177 V179 | I119-W161 HydrophobicContact CD1-CD2 3.8Å; I119-W161 HydrophobicContact CD1-CE3 4.25Å; I119-W161 HydrophobicContact CD1-CG 4Å; I119-W161 HydrophobicContact CD1-CZ2 4.44Å; M121-W161 HydrophobicContact SD-CH2 3.64Å; M121-W161 HydrophobicContact SD-CZ2 3.95Å; Y141-W161 AromaticContact CD1-NE1 3.75Å; Y141-W161 AromaticContact CD2-CZ2 3.84Å; Y141-W161 HydrophobicContact CD2-CZ2 3.84Å; Y141-W161 HydrophobicContact CE1-CZ2 4.49Å; Y141-W161 AromaticContact CE2-CZ2 3.64Å; Y141-W161 HydrophobicContact CE2-CZ2 3.64Å; Y141-W161 HydrophobicContact CG-CZ2 4.35Å; Y141-W161 AromaticContact CG-NE1 3.73Å; Y141-W161 AromaticContact CZ-CZ2 3.98Å; I146-W161 HydrophobicContact CG2-CB 4.33Å; Y148-W161 CarbonylContact O-C 3.58Å; Y148-W161 VanDerWaalsContact O-CA 3.26Å; Y148-W161 WeakPolarHBondContact O-CA 3.39Å; Y148-W161 WeakPolarHBondContact O-CB 3.3Å; C149-W161 HydrophobicContact CB-CB 4.08Å; F159-W161 AromaticContact CD1-CE3 3.92Å; F159-W161 HydrophobicContact CD1-CE3 3.92Å; F159-W161 HydrophobicContact CD1-CZ3 4.11Å; F159-W161 HydrophobicContact CE1-CD2 4.46Å; F159-W161 AromaticContact CE1-CE3 3.58Å; F159-W161 HydrophobicContact CE1-CE3 3.58Å; F159-W161 HydrophobicContact CE1-CZ3 4.09Å; F159-W161 HydrophobicContact CZ-CE3 4.38Å; W161-C176 CarbonylContact O-C 3.52Å; W161-C176 WeakPolarHBondContact O-CA 3.26Å; W161-H177 HydrophobicContact CD2-CB 3.77Å; W161-H177 AromaticContact CE2-CG 3.86Å; W161-H177 HydrophobicContact CE3-CB 4.09Å; W161-H177 HydrophobicContact CG-CB 4.45Å; W161-H177 HydrophobicContact CH2-CB 3.67Å; W161-H177 HydrophobicContact CZ2-CB 3.31Å; W161-H177 AromaticContact CZ2-CG 3.81Å; W161-H177 HydrophobicContact CZ3-CB 4.05Å; W161-H177 PolarHBondContact N-O 3.42Å; W161-H177 AromaticContact NE1-CD2 3.69Å; W161-H177 AromaticContact NE1-CG 3.91Å; W161-H177 PolarHBondContact O-N 3.33Å; W161-V179 HydrophobicContact CH2-CG1 3.81Å; W161-V179 HydrophobicContact CZ3-CB 4.47Å; W161-V179 HydrophobicContact CZ3-CG1 3.74Å; W161-V179 HydrophobicContact CZ3-CG2 4.04Å |
| 162 | V | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 127 | 175 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | T82 T91 I146 T147 Y148 L174 R175 | T82-V162 HydrophobicContact CG2-CG1 3.73Å; T82-V162 HydrophobicContact CG2-CG2 4.19Å; T91-V162 HydrophobicContact CG2-CG2 3.74Å; I146-V162 WeakPolarHBondContact CA-O 3.49Å; T147-V162 PolarHBondContact N-O 2.9Å; T147-V162 WeakPolarHBondContact OG1-CB 3.42Å; T147-V162 WeakPolarHBondContact OG1-CG1 3.33Å; Y148-V162 PolarHBondContact O-N 2.8Å; V162-L174 HydrophobicContact CG1-CB 4.17Å; V162-L174 HydrophobicContact CG1-CD2 4.28Å; V162-R175 WeakPolarHBondContact CA-O 3.34Å |
| 163 | Y | 96.9 | Very high | 92.7 | Very high | 19 Ų | 19 | 75.3 Ų | 75.3 | 8% | 0.075 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.2 | 179.6 | -166.6 | -100.7 | 0 | 0 | 0 | 111.1 | Y141 L142 R145 I146 H165 R175 | Y141-Y163 HydrophobicContact CD1-CD1 4Å; Y141-Y163 AromaticContact CD1-CD2 3.66Å; Y141-Y163 HydrophobicContact CD1-CD2 3.66Å; Y141-Y163 HydrophobicContact CD1-CE1 4.18Å; Y141-Y163 AromaticContact CD1-CE2 3.88Å; Y141-Y163 HydrophobicContact CD1-CE2 3.88Å; Y141-Y163 AromaticContact CD1-CG 3.69Å; Y141-Y163 HydrophobicContact CD1-CG 3.69Å; Y141-Y163 HydrophobicContact CE1-CD1 4.47Å; Y141-Y163 HydrophobicContact CE1-CG 4.37Å; Y141-Y163 HydrophobicContact CG-CD2 4.28Å; Y141-Y163 HydrophobicContact CG-CE2 4.31Å; L142-Y163 PolarHBondContact N-OH 2.85Å; R145-Y163 HydrophobicContact CB-CD2 3.99Å; R145-Y163 HydrophobicContact CB-CE1 4.26Å; R145-Y163 HydrophobicContact CB-CE2 3.38Å; R145-Y163 VanDerWaalsContact CD-OH 3.22Å; R145-Y163 WeakPolarHBondContact CD-OH 3.3Å; I146-Y163 HydrophobicContact CG1-CD2 3.7Å; I146-Y163 HydrophobicContact CG1-CE2 4.15Å; Y163-H165 AromaticContact CD1-CD2 3.6Å; Y163-H165 AromaticContact CD1-CE1 3.46Å; Y163-H165 VanDerWaalsContact CD1-CE1 3.46Å; Y163-H165 WeakPolarHBondContact CD1-CE1 3.49Å; Y163-H165 AromaticContact CD1-CG 3.85Å; Y163-H165 AromaticContact CD1-ND1 3.77Å; Y163-H165 AromaticContact CD1-NE2 3.36Å; Y163-H165 WeakPolarHBondContact CD1-NE2 3.39Å; Y163-H165 AromaticContact CE1-CE1 3.95Å; Y163-H165 PolarHBondContact O-CD2 2.87Å; Y163-H165 PolarHBondContact O-N 2.87Å; Y163-R175 PolarHBondContact N-O 3.48Å; Y163-R175 PolarHBondContact O-N 2.87Å |
| 164 | R | 95.8 | Very high | 92.9 | Very high | 119 Ų | 119 | 73.1 Ų | 73.1 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 99.9 | 173.9 | -171.4 | -177 | 164.8 | -177.5 | -4.3 | 110 | R145 V172 L174 | R145-R164 HydrophobicContact CB-CB 4.46Å; R145-R164 WeakPolarHBondContact O-CB 3.31Å; R145-R164 PolarHBondContact O-N 2.9Å; R164-V172 HydrophobicContact CG-CG1 3.33Å; R164-V172 VanDerWaalsContact NE-CG1 3.3Å; R164-L174 HydrophobicContact CB-CD2 4.24Å; R164-L174 HydrophobicContact CG-CD2 4.41Å |
| 165 | H | 94 | Very high | 93.1 | Very high | 48 Ų | 48 | 69.2 Ų | 69.2 | 22% | 0.222 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 142.1 | 172.7 | -69.1 | -86.8 | 0 | 0 | 0 | 110.7 | Y163 V173 H177 | Y163-H165 AromaticContact CD1-CD2 3.6Å; Y163-H165 AromaticContact CD1-CE1 3.46Å; Y163-H165 VanDerWaalsContact CD1-CE1 3.46Å; Y163-H165 WeakPolarHBondContact CD1-CE1 3.49Å; Y163-H165 AromaticContact CD1-CG 3.85Å; Y163-H165 AromaticContact CD1-ND1 3.77Å; Y163-H165 AromaticContact CD1-NE2 3.36Å; Y163-H165 WeakPolarHBondContact CD1-NE2 3.39Å; Y163-H165 AromaticContact CE1-CE1 3.95Å; Y163-H165 PolarHBondContact O-CD2 2.87Å; Y163-H165 PolarHBondContact O-N 2.87Å; H165-V173 WeakPolarHBondContact CB-O 3.04Å; H165-V173 PolarHBondContact N-O 3.1Å; H165-V173 PolarHBondContact O-N 3.1Å; H165-H177 AromaticContact CE1-NE2 3.68Å; H165-H177 AromaticContact NE2-CE1 3.65Å; H165-H177 AromaticContact NE2-NE2 2.89Å; H165-H177 PolarHBondContact NE2-NE2 2.85Å |
| 166 | Q | 92.1 | Very high | 93.3 | Very high | 126 Ų | 126 | 67 Ų | 67 | 59% | 0.589 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 119.5 | 164.8 | -73.4 | 169.6 | -10.4 | 0 | 0 | 107.2 | R145 | R145-Q166 VanDerWaalsContact NH1-CD 3.25Å; R145-Q166 VanDerWaalsContact NH1-NE2 3.12Å; R145-Q166 VanDerWaalsContact NH2-NE2 3.11Å |
| 167 | A | 86.6 | Confident | 93.5 | Very high | 45 Ų | 45 | 63.7 Ų | 63.7 | 37% | 0.372 | 30% | 0.295 | S | S | . | . | trans | -89.2 | -175.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | A171 V173 | A167-A171 HydrophobicContact CB-CB 4.24Å; A167-A171 PolarHBondContact N-O 2.9Å; A167-V173 HydrophobicContact CB-CG2 3.8Å | ||
| 168 | R | 85.8 | Confident | 93.5 | Very high | 220 Ų | 220 | 58.5 Ų | 58.5 | 83% | 0.83 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -57.3 | 153.5 | 176.4 | -64.4 | -173.9 | 175.8 | -171 | -3.3 | 111.1 | K170 A171 | R168-K170 VanDerWaalsContact C-N 3.29Å; R168-K170 PolarHBondContact O-N 3.3Å; R168-A171 WeakPolarHBondContact O-CB 3.36Å; R168-A171 PolarHBondContact O-N 3.02Å; R168-A171 VanDerWaalsContact O-N 3.15Å |
| 169 | H | 89.4 | Confident | 93.6 | Very high | 182 Ų | 182 | 58.5 Ų | 58.5 | 84% | 0.843 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | 53.8 | 40.6 | 179.1 | -51.1 | -68.5 | 0 | 0 | 0 | 114.2 | A171 | H169-A171 PolarHBondContact O-N 2.86Š|
| 170 | K | 84.9 | Confident | 93.5 | Very high | 189 Ų | 189 | 58.8 Ų | 58.8 | 82% | 0.822 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | 58.8 | 11 | 179.8 | -55.5 | 178.6 | 179.9 | 179.2 | 0 | 114.1 | R168 | R168-K170 VanDerWaalsContact C-N 3.29Å; R168-K170 PolarHBondContact O-N 3.3Å |
| 171 | A | 87.6 | Confident | 93.4 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 41% | 0.405 | 28% | 0.277 | S | S | . | . | trans | -66.6 | 148.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A167 R168 H169 | A167-A171 HydrophobicContact CB-CB 4.24Å; A167-A171 PolarHBondContact N-O 2.9Å; R168-A171 WeakPolarHBondContact O-CB 3.36Å; R168-A171 PolarHBondContact O-N 3.02Å; R168-A171 VanDerWaalsContact O-N 3.15Å; H169-A171 PolarHBondContact O-N 2.86Å | ||
| 172 | V | 91 | Very high | 93.3 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 41% | 0.412 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.2 | -176.1 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | R164 | R164-V172 HydrophobicContact CG-CG1 3.33Å; R164-V172 VanDerWaalsContact NE-CG1 3.3Å |
| 173 | V | 94.4 | Very high | 93.2 | Very high | 42 Ų | 42 | 69.6 Ų | 69.6 | 26% | 0.255 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.7 | 175.8 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | V81 H165 A167 R175 | V81-V173 HydrophobicContact CG1-CG1 4.05Å; V81-V173 HydrophobicContact CG2-CG1 4.16Å; H165-V173 WeakPolarHBondContact CB-O 3.04Å; H165-V173 PolarHBondContact N-O 3.1Å; H165-V173 PolarHBondContact O-N 3.1Å; A167-V173 HydrophobicContact CB-CG2 3.8Å; V173-R175 HydrophobicContact CG1-CG 4.22Å |
| 174 | L | 95.6 | Very high | 93.2 | Very high | 30 Ų | 30 | 70 Ų | 70 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 125.3 | 173.5 | -61.4 | 170.7 | 0 | 0 | 0 | 109.3 | V81 T82 A85 T147 V162 R164 | V81-L174 WeakPolarHBondContact CA-O 3.21Å; T82-L174 HydrophobicContact CG2-CB 3.86Å; T82-L174 PolarHBondContact N-O 3.45Å; T82-L174 WeakPolarHBondContact O-CB 3.4Å; A85-L174 HydrophobicContact CB-CD1 3.71Å; A85-L174 HydrophobicContact CB-CD2 4.32Å; T147-L174 HydrophobicContact CG2-CD2 4.47Å; V162-L174 HydrophobicContact CG1-CB 4.17Å; V162-L174 HydrophobicContact CG1-CD2 4.28Å; R164-L174 HydrophobicContact CB-CD2 4.24Å; R164-L174 HydrophobicContact CG-CD2 4.41Å |
| 175 | R | 96.2 | Very high | 93.2 | Very high | 90 Ų | 90 | 69.4 Ų | 69.4 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.9 | 173.4 | -59.9 | -174.6 | 175.3 | -129.2 | 3.4 | 110 | N79 A80 V162 Y163 V173 | N79-R175 PolarHBondContact OD1-NH1 3.3Å; A80-R175 CarbonylContact O-C 3.56Å; A80-R175 WeakPolarHBondContact O-CA 3.46Å; V162-R175 WeakPolarHBondContact CA-O 3.34Å; Y163-R175 PolarHBondContact N-O 3.48Å; Y163-R175 PolarHBondContact O-N 2.87Å; V173-R175 HydrophobicContact CG1-CG 4.22Å |
| 176 | C | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 128.4 | 166.4 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | N79 A80 T82 A94 W161 | N79-C176 CarbonylContact C-O 3.6Å; N79-C176 WeakPolarHBondContact CA-O 3.33Å; N79-C176 WeakPolarHBondContact CB-O 3.21Å; A80-C176 PolarHBondContact N-O 3.09Å; A80-C176 PolarHBondContact O-N 3.34Å; T82-C176 HydrophobicContact CG2-CB 4.39Å; A94-C176 HydrophobicContact CB-CB 3.5Å; W161-C176 CarbonylContact O-C 3.52Å; W161-C176 WeakPolarHBondContact O-CA 3.26Å |
| 177 | H | 96.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 141.8 | 170.8 | -65.9 | -86.7 | 0 | 0 | 0 | 108.8 | Y76 Y141 A160 W161 H165 | Y76-H177 HydrophobicContact CE2-CB 4.42Å; Y76-H177 PolarHBondContact OH-ND1 3.48Å; Y76-H177 VanDerWaalsContact OH-ND1 3.14Å; Y141-H177 AromaticContact CE1-CD2 3.82Å; Y141-H177 AromaticContact CE1-CE1 3.62Å; Y141-H177 AromaticContact CE1-NE2 3.45Å; Y141-H177 WeakPolarHBondContact CE1-NE2 3.15Å; Y141-H177 AromaticContact CZ-CE1 3.81Å; Y141-H177 AromaticContact CZ-ND1 3.87Å; Y141-H177 PolarHBondContact OH-CE1 3.34Å; Y141-H177 VanDerWaalsContact OH-CE1 3.25Å; Y141-H177 PolarHBondContact OH-ND1 2.85Å; A160-H177 WeakPolarHBondContact CA-O 3.33Å; W161-H177 HydrophobicContact CD2-CB 3.77Å; W161-H177 AromaticContact CE2-CG 3.86Å; W161-H177 HydrophobicContact CE3-CB 4.09Å; W161-H177 HydrophobicContact CG-CB 4.45Å; W161-H177 HydrophobicContact CH2-CB 3.67Å; W161-H177 HydrophobicContact CZ2-CB 3.31Å; W161-H177 AromaticContact CZ2-CG 3.81Å; W161-H177 HydrophobicContact CZ3-CB 4.05Å; W161-H177 PolarHBondContact N-O 3.42Å; W161-H177 AromaticContact NE1-CD2 3.69Å; W161-H177 AromaticContact NE1-CG 3.91Å; W161-H177 PolarHBondContact O-N 3.33Å; H165-H177 AromaticContact CE1-NE2 3.68Å; H165-H177 AromaticContact NE2-CE1 3.65Å; H165-H177 AromaticContact NE2-NE2 2.89Å; H165-H177 PolarHBondContact NE2-NE2 2.85Å |
| 178 | A | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L77 G78 I98 V158 F159 | L77-A178 PolarHBondContact N-O 2.9Å; G78-A178 PolarHBondContact O-N 3.33Å; G78-A178 VanDerWaalsContact O-N 3.13Å; I98-A178 HydrophobicContact CD1-CB 3.89Å; I98-A178 HydrophobicContact CG2-CB 4.18Å; V158-A178 HydrophobicContact CG1-CB 4.07Å; F159-A178 WeakPolarHBondContact O-CA 3.28Å |
| 179 | V | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143 | 174.2 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | V74 W75 Y76 L112 M121 V158 F159 W161 L181 | V74-V179 HydrophobicContact CB-CB 4.12Å; V74-V179 HydrophobicContact CB-CG2 4.46Å; V74-V179 HydrophobicContact CG2-CB 4.09Å; V74-V179 HydrophobicContact CG2-CG1 4.04Å; W75-V179 CarbonylContact O-C 3.55Å; W75-V179 VanDerWaalsContact O-CA 3.3Å; W75-V179 WeakPolarHBondContact O-CA 3.46Å; Y76-V179 HydrophobicContact CD2-CG1 3.86Å; L112-V179 HydrophobicContact CD1-CG1 4.44Å; L112-V179 HydrophobicContact CD1-CG2 4.24Å; M121-V179 HydrophobicContact CE-CG1 3.78Å; V158-V179 CarbonylContact C-O 3.51Å; V158-V179 WeakPolarHBondContact CA-O 3.5Å; F159-V179 HydrophobicContact CB-CG2 3.86Å; F159-V179 HydrophobicContact CD1-CG2 3.73Å; F159-V179 HydrophobicContact CG-CG2 4.29Å; F159-V179 PolarHBondContact N-O 3.02Å; F159-V179 PolarHBondContact O-N 3.06Å; W161-V179 HydrophobicContact CH2-CG1 3.81Å; W161-V179 HydrophobicContact CZ3-CB 4.47Å; W161-V179 HydrophobicContact CZ3-CG1 3.74Å; W161-V179 HydrophobicContact CZ3-CG2 4.04Å; V179-L181 HydrophobicContact CG2-CD1 4.05Å |
| 180 | L | 95.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125.4 | 175.1 | 179.4 | 68.1 | 0 | 0 | 0 | 110.1 | W75 L77 W99 P104 R157 V158 | W75-L180 HydrophobicContact CB-CB 4.2Å; W75-L180 PolarHBondContact N-O 2.9Å; W75-L180 PolarHBondContact O-N 3.33Å; L77-L180 HydrophobicContact CD1-CB 4.15Å; L77-L180 HydrophobicContact CD2-CB 4.06Å; L77-L180 HydrophobicContact CG-CB 4.15Å; W99-L180 HydrophobicContact CZ3-CD1 4.23Å; P104-L180 WeakPolarHBondContact O-CD2 3.45Å; R157-L180 HydrophobicContact CB-CD1 3.55Å; V158-L180 HydrophobicContact CG2-CD1 3.97Å |
| 181 | L | 95.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | trans | -96.9 | 160.8 | 175 | -70.7 | 94.6 | 0 | 0 | 0 | 111.7 | V74 R157 F159 V179 R183 K186 A187 L190 | V74-L181 HydrophobicContact CG1-CD2 4.35Å; V74-L181 HydrophobicContact CG1-CG 3.98Å; R157-L181 PolarHBondContact NE-O 2.92Å; R157-L181 PolarHBondContact NH2-O 3.32Å; R157-L181 PolarHBondContact O-N 3.38Å; F159-L181 HydrophobicContact CB-CD1 3.51Å; V179-L181 HydrophobicContact CG2-CD1 4.05Å; L181-R183 VanDerWaalsContact C-N 3.27Å; L181-R183 PolarHBondContact O-N 2.98Å; L181-K186 HydrophobicContact CD2-CB 3.73Å; L181-A187 HydrophobicContact CD1-CB 3.87Å; L181-L190 HydrophobicContact CD1-CD2 4.47Å; L181-L190 HydrophobicContact CD2-CD2 4.23Å | ||
| 182 | A | 93.5 | Very high | 95.8 | Very high | 62 Ų | 62 | 48.4 Ų | 48.4 | 51% | 0.512 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -62 | -34.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R157 | R157-A182 PolarHBondContact NE-O 3.25Š|
| 183 | R | 95.5 | Very high | 96.1 | Very high | 164 Ų | 164 | 47.5 Ų | 47.5 | 62% | 0.619 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -138.3 | 146.1 | -175 | -59.1 | -67.5 | -172.5 | 175.8 | 1.1 | 111.2 | L181 H185 K186 A187 | L181-R183 VanDerWaalsContact C-N 3.27Å; L181-R183 PolarHBondContact O-N 2.98Å; R183-H185 PolarHBondContact O-N 3.07Å; R183-K186 HydrophobicContact CB-CG 4.29Å; R183-K186 PolarHBondContact O-N 3.02Å; R183-A187 PolarHBondContact O-N 3.36Å |
| 184 | A | 96.3 | Very high | 96.1 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 22% | 0.223 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.4 | -36.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P156 R157 K186 A187 R188 | P156-A184 HydrophobicContact CB-CB 3.87Å; P156-A184 HydrophobicContact CG-CB 4.44Å; P156-A184 WeakPolarHBondContact O-CA 3.46Å; P156-A184 WeakPolarHBondContact O-CB 3.41Å; R157-A184 HydrophobicContact CG-CB 4.23Å; A184-K186 PolarHBondContact O-N 3.06Å; A184-A187 PolarHBondContact O-N 3.38Å; A184-R188 PolarHBondContact O-N 3.07Å; A184-R188 VanDerWaalsContact O-N 3.16Å |
| 185 | H | 96.6 | Very high | 96.1 | Very high | 107 Ų | 107 | 52 Ų | 52 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.4 | -32.9 | 176.6 | 73.1 | -95.5 | 0 | 0 | 0 | 111.8 | R183 R188 A189 | R183-H185 PolarHBondContact O-N 3.07Å; H185-R188 PolarHBondContact O-N 3.23Å; H185-A189 VanDerWaalsContact O-CB 3.3Å; H185-A189 WeakPolarHBondContact O-CB 3.28Å; H185-A189 PolarHBondContact O-N 2.7Å |
| 186 | K | 96.6 | Very high | 96.1 | Very high | 90 Ų | 90 | 53.7 Ų | 53.7 | 39% | 0.391 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.4 | -40 | 176.3 | -65.8 | -167.2 | 175.9 | -173.3 | 0 | 111.4 | L181 R183 A184 A189 L190 | L181-K186 HydrophobicContact CD2-CB 3.73Å; R183-K186 HydrophobicContact CB-CG 4.29Å; R183-K186 PolarHBondContact O-N 3.02Å; A184-K186 PolarHBondContact O-N 3.06Å; K186-A189 PolarHBondContact O-N 2.76Å; K186-L190 VanDerWaalsContact O-CB 3.28Å; K186-L190 WeakPolarHBondContact O-CB 3.3Å; K186-L190 PolarHBondContact O-N 3.25Å |
| 187 | A | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A151 F159 L181 R183 A184 L190 A191 | A151-A187 HydrophobicContact CB-CB 4.19Å; F159-A187 HydrophobicContact CB-CB 4.3Å; L181-A187 HydrophobicContact CD1-CB 3.87Å; R183-A187 PolarHBondContact O-N 3.36Å; A184-A187 PolarHBondContact O-N 3.38Å; A187-L190 PolarHBondContact O-N 3.26Å; A187-A191 PolarHBondContact O-N 3.03Å |
| 188 | R | 96.9 | Very high | 95.9 | Very high | 125 Ų | 125 | 56.7 Ų | 56.7 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 176.1 | -69.2 | -176.1 | -71.3 | 165.6 | -2.4 | 112.7 | A151 A184 H185 R192 | A151-R188 HydrophobicContact CB-CB 4.5Å; A151-R188 HydrophobicContact CB-CG 3.82Å; A184-R188 PolarHBondContact O-N 3.07Å; A184-R188 VanDerWaalsContact O-N 3.16Å; H185-R188 PolarHBondContact O-N 3.23Å; R188-R192 WeakPolarHBondContact O-CG 3.23Å; R188-R192 PolarHBondContact O-N 3.23Å; R188-R192 VanDerWaalsContact O-N 3.09Å |
| 189 | A | 96.6 | Very high | 95.8 | Very high | 43 Ų | 43 | 61.5 Ų | 61.5 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | H185 K186 R192 L193 | H185-A189 VanDerWaalsContact O-CB 3.3Å; H185-A189 WeakPolarHBondContact O-CB 3.28Å; H185-A189 PolarHBondContact O-N 2.7Å; K186-A189 PolarHBondContact O-N 2.76Å; A189-R192 PolarHBondContact O-N 2.74Å; A189-L193 VanDerWaalsContact O-CB 3.26Å; A189-L193 WeakPolarHBondContact O-CB 3.46Å; A189-L193 PolarHBondContact O-N 3.37Å |
| 190 | L | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 178.2 | -175.7 | 62 | 0 | 0 | 0 | 111.8 | Y72 L112 L114 F159 L181 K186 A187 L193 L194 | Y72-L190 HydrophobicContact CD2-CD1 3.9Å; Y72-L190 HydrophobicContact CE2-CD1 3.65Å; L112-L190 HydrophobicContact CD1-CD2 4.33Å; L112-L190 HydrophobicContact CD2-CD1 3.99Å; L112-L190 HydrophobicContact CD2-CD2 3.95Å; L114-L190 HydrophobicContact CB-CD1 4.35Å; L114-L190 HydrophobicContact CD2-CD1 4.37Å; F159-L190 HydrophobicContact CB-CD2 4.44Å; F159-L190 HydrophobicContact CD1-CD2 3.5Å; F159-L190 HydrophobicContact CD1-CG 4.11Å; F159-L190 HydrophobicContact CE1-CD2 3.86Å; F159-L190 HydrophobicContact CE1-CG 4.09Å; F159-L190 HydrophobicContact CG-CD2 3.92Å; F159-L190 HydrophobicContact CG-CG 4.36Å; F159-L190 HydrophobicContact CZ-CG 4.34Å; L181-L190 HydrophobicContact CD1-CD2 4.47Å; L181-L190 HydrophobicContact CD2-CD2 4.23Å; K186-L190 VanDerWaalsContact O-CB 3.28Å; K186-L190 WeakPolarHBondContact O-CB 3.3Å; K186-L190 PolarHBondContact O-N 3.25Å; A187-L190 PolarHBondContact O-N 3.26Å; L190-L193 PolarHBondContact O-N 3.3Å; L190-L194 WeakPolarHBondContact O-CB 3.4Å; L190-L194 PolarHBondContact O-N 3.09Å |
| 191 | A | 96.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 65.3 Ų | 65.3 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F159 A187 L193 R195 | F159-A191 HydrophobicContact CD2-CB 3.81Å; F159-A191 VanDerWaalsContact CE2-CA 3.46Å; F159-A191 HydrophobicContact CE2-CB 3.6Å; A187-A191 PolarHBondContact O-N 3.03Å; A191-L193 VanDerWaalsContact C-N 3.35Å; A191-R195 WeakPolarHBondContact O-CB 3.49Å; A191-R195 PolarHBondContact O-N 3.5Å |
| 192 | R | 96.4 | Very high | 95.5 | Very high | 149 Ų | 149 | 70.6 Ų | 70.6 | 56% | 0.562 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63 | -43 | 176.5 | -71.8 | -179.4 | -169.3 | 122.6 | -3 | 111.8 | R188 A189 R195 Q196 | R188-R192 WeakPolarHBondContact O-CG 3.23Å; R188-R192 PolarHBondContact O-N 3.23Å; R188-R192 VanDerWaalsContact O-N 3.09Å; A189-R192 PolarHBondContact O-N 2.74Å; R192-R195 PolarHBondContact O-N 3.17Å; R192-Q196 VanDerWaalsContact O-CG 3.31Å; R192-Q196 WeakPolarHBondContact O-CG 3.38Å; R192-Q196 PolarHBondContact O-N 3.16Å |
| 193 | L | 95.9 | Very high | 95.6 | Very high | 48 Ų | 48 | 70.4 Ų | 70.4 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.8 | -48.2 | -179.2 | -174.8 | 64.7 | 0 | 0 | 0 | 111 | P70 L114 A189 L190 A191 R195 Q196 T197 | P70-L193 HydrophobicContact CB-CD2 4.41Å; P70-L193 HydrophobicContact CG-CD2 3.64Å; L114-L193 HydrophobicContact CD2-CB 3.92Å; L114-L193 HydrophobicContact CD2-CD2 3.39Å; L114-L193 HydrophobicContact CD2-CG 3.34Å; A189-L193 VanDerWaalsContact O-CB 3.26Å; A189-L193 WeakPolarHBondContact O-CB 3.46Å; A189-L193 PolarHBondContact O-N 3.37Å; L190-L193 PolarHBondContact O-N 3.3Å; A191-L193 VanDerWaalsContact C-N 3.35Å; L193-R195 VanDerWaalsContact C-N 3.28Å; L193-R195 PolarHBondContact O-N 3.34Å; L193-Q196 WeakPolarHBondContact O-CB 3.38Å; L193-Q196 PolarHBondContact O-N 3.24Å; L193-Q196 VanDerWaalsContact O-N 3.12Å; L193-T197 PolarHBondContact O-N 2.98Å; L193-T197 PolarHBondContact O-OG1 3.01Å |
| 194 | L | 96.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 175.8 | 176.5 | 63 | 0 | 0 | 0 | 111.6 | L114 I119 L143 I146 C149 F159 L190 T197 A198 | L114-L194 HydrophobicContact CD1-CB 3.78Å; L114-L194 HydrophobicContact CD1-CD1 3.51Å; L114-L194 HydrophobicContact CD1-CG 4.12Å; L114-L194 HydrophobicContact CD2-CB 4.4Å; I119-L194 HydrophobicContact CD1-CD2 3.8Å; I119-L194 HydrophobicContact CG1-CD1 4.16Å; I119-L194 HydrophobicContact CG1-CD2 4.29Å; L143-L194 HydrophobicContact CD2-CD1 3.86Å; I146-L194 HydrophobicContact CD1-CD1 4.33Å; C149-L194 HydrophobicContact CB-CD2 3.62Å; C149-L194 HydrophobicContact CB-CG 4.46Å; F159-L194 HydrophobicContact CZ-CD2 3.77Å; L190-L194 WeakPolarHBondContact O-CB 3.4Å; L190-L194 PolarHBondContact O-N 3.09Å; L194-T197 PolarHBondContact O-N 2.91Å; L194-A198 WeakPolarHBondContact O-CB 3.26Å; L194-A198 PolarHBondContact O-N 3.05Å |
| 195 | R | 95.3 | Very high | 95.3 | Very high | 166 Ų | 166 | 70.1 Ų | 70.1 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 175.5 | -176.6 | 173.2 | 179.5 | 155.2 | -2.8 | 112.1 | A191 R192 L193 A198 L199 | A191-R195 WeakPolarHBondContact O-CB 3.49Å; A191-R195 PolarHBondContact O-N 3.5Å; R192-R195 PolarHBondContact O-N 3.17Å; L193-R195 VanDerWaalsContact C-N 3.28Å; L193-R195 PolarHBondContact O-N 3.34Å; R195-A198 PolarHBondContact O-N 3.25Å; R195-L199 HydrophobicContact CG-CD1 4.3Å; R195-L199 VanDerWaalsContact O-CG 3.28Å; R195-L199 WeakPolarHBondContact O-CG 3.41Å; R195-L199 PolarHBondContact O-N 3.49Å |
| 196 | Q | 95.6 | Very high | 95.1 | Very high | 124 Ų | 124 | 69 Ų | 69 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 175.9 | -74.2 | 171.9 | -12.1 | 0 | 0 | 111.3 | R192 L193 A198 L199 A200 | R192-Q196 VanDerWaalsContact O-CG 3.31Å; R192-Q196 WeakPolarHBondContact O-CG 3.38Å; R192-Q196 PolarHBondContact O-N 3.16Å; L193-Q196 WeakPolarHBondContact O-CB 3.38Å; L193-Q196 PolarHBondContact O-N 3.24Å; L193-Q196 VanDerWaalsContact O-N 3.12Å; Q196-A198 VanDerWaalsContact C-N 3.34Å; Q196-A198 PolarHBondContact O-N 3.41Å; Q196-L199 PolarHBondContact O-N 2.87Å; Q196-A200 WeakPolarHBondContact O-CB 3.27Å; Q196-A200 PolarHBondContact O-N 3.36Å |
| 197 | T | 95.3 | Very high | 95 | Very high | 28 Ų | 28 | 70.2 Ų | 70.2 | 17% | 0.172 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 176.2 | -55 | 0 | 0 | 0 | 0 | 111.4 | L143 L193 L194 L199 A200 A201 | L143-T197 HydrophobicContact CD1-CG2 3.97Å; L193-T197 PolarHBondContact O-N 2.98Å; L193-T197 PolarHBondContact O-OG1 3.01Å; L194-T197 PolarHBondContact O-N 2.91Å; T197-L199 PolarHBondContact O-N 3.26Å; T197-A200 PolarHBondContact O-N 2.88Å; T197-A201 WeakPolarHBondContact O-CB 3.48Å; T197-A201 PolarHBondContact O-N 2.85Å |
| 198 | A | 94.9 | Very high | 94.9 | Very high | 37 Ų | 37 | 74.8 Ų | 74.8 | 31% | 0.306 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L143 L194 R195 Q196 F202 | L143-A198 HydrophobicContact CD2-CB 3.54Å; L194-A198 WeakPolarHBondContact O-CB 3.26Å; L194-A198 PolarHBondContact O-N 3.05Å; R195-A198 PolarHBondContact O-N 3.25Å; Q196-A198 VanDerWaalsContact C-N 3.34Å; Q196-A198 PolarHBondContact O-N 3.41Å; A198-F202 VanDerWaalsContact O-CB 3.28Å; A198-F202 WeakPolarHBondContact O-CB 3.19Å; A198-F202 PolarHBondContact O-N 3.04Å |
| 199 | L | 94.6 | Very high | 94.7 | Very high | 101 Ų | 101 | 72.7 Ų | 72.7 | 53% | 0.529 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.3 | -37.2 | 177.5 | -70.7 | 172.6 | 0 | 0 | 0 | 112.4 | R195 Q196 T197 S203 | R195-L199 HydrophobicContact CG-CD1 4.3Å; R195-L199 VanDerWaalsContact O-CG 3.28Å; R195-L199 WeakPolarHBondContact O-CG 3.41Å; R195-L199 PolarHBondContact O-N 3.49Å; Q196-L199 PolarHBondContact O-N 2.87Å; T197-L199 PolarHBondContact O-N 3.26Å; L199-S203 WeakPolarHBondContact O-CB 3.44Å; L199-S203 PolarHBondContact O-N 2.73Å; L199-S203 PolarHBondContact O-OG 2.81Å |
| 200 | A | 94.1 | Very high | 94.5 | Very high | 51 Ų | 51 | 78.8 Ų | 78.8 | 42% | 0.421 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.3 | -52.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q196 T197 F202 S203 D204 | Q196-A200 WeakPolarHBondContact O-CB 3.27Å; Q196-A200 PolarHBondContact O-N 3.36Å; T197-A200 PolarHBondContact O-N 2.88Å; A200-F202 VanDerWaalsContact C-N 3.29Å; A200-F202 PolarHBondContact O-N 2.92Å; A200-S203 WeakPolarHBondContact O-CB 3.42Å; A200-S203 PolarHBondContact O-N 3.45Å; A200-D204 PolarHBondContact O-N 2.83Å |
| 201 | A | 93.3 | Very high | 94.3 | Very high | 34 Ų | 34 | 83.2 Ų | 83.2 | 28% | 0.281 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.9 | -40.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L143 T197 D204 F205 | L143-A201 HydrophobicContact CD1-CB 4.36Å; T197-A201 WeakPolarHBondContact O-CB 3.48Å; T197-A201 PolarHBondContact O-N 2.85Å; A201-D204 PolarHBondContact O-N 3.22Å; A201-F205 WeakPolarHBondContact O-CB 3.47Å; A201-F205 PolarHBondContact O-N 3.07Å |
| 202 | F | 93.4 | Very high | 94 | Very high | 113 Ų | 113 | 84 Ų | 84 | 50% | 0.496 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 175.4 | -178.6 | -114 | 0 | 0 | 0 | 112.8 | A198 A200 D204 F205 K206 | A198-F202 VanDerWaalsContact O-CB 3.28Å; A198-F202 WeakPolarHBondContact O-CB 3.19Å; A198-F202 PolarHBondContact O-N 3.04Å; A200-F202 VanDerWaalsContact C-N 3.29Å; A200-F202 PolarHBondContact O-N 2.92Å; F202-D204 VanDerWaalsContact C-N 3.32Å; F202-F205 PolarHBondContact O-N 3.47Å; F202-K206 HydrophobicContact CD1-CD 4.34Å; F202-K206 HydrophobicContact CE1-CD 3.7Å; F202-K206 HydrophobicContact CE1-CG 4.31Å; F202-K206 HydrophobicContact CE2-CD 4.47Å; F202-K206 HydrophobicContact CE2-CG 4.31Å; F202-K206 HydrophobicContact CZ-CD 3.77Å; F202-K206 HydrophobicContact CZ-CG 4.1Å; F202-K206 WeakPolarHBondContact O-CG 3.44Å; F202-K206 PolarHBondContact O-N 3.45Å |
| 203 | S | 94.4 | Very high | 93.8 | Very high | 59 Ų | 59 | 80.4 Ų | 80.4 | 41% | 0.413 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 176 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | L199 A200 R207 | L199-S203 WeakPolarHBondContact O-CB 3.44Å; L199-S203 PolarHBondContact O-N 2.73Å; L199-S203 PolarHBondContact O-OG 2.81Å; A200-S203 WeakPolarHBondContact O-CB 3.42Å; A200-S203 PolarHBondContact O-N 3.45Å; S203-R207 PolarHBondContact O-N 3.39Å; S203-R207 VanDerWaalsContact O-N 3.11Å |
| 204 | D | 93 | Very high | 93.3 | Very high | 66 Ų | 66 | 81.1 Ų | 81.1 | 35% | 0.353 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.6 | -45 | 174.4 | -69.7 | -20.7 | 0 | 0 | 0 | 111.5 | A200 A201 F202 K206 R207 L208 | A200-D204 PolarHBondContact O-N 2.83Å; A201-D204 PolarHBondContact O-N 3.22Å; F202-D204 VanDerWaalsContact C-N 3.32Å; D204-K206 PolarHBondContact O-N 2.83Å; D204-R207 VanDerWaalsContact CG-NH2 3.29Å; D204-R207 WeakPolarHBondContact O-CB 3.47Å; D204-R207 PolarHBondContact O-N 2.88Å; D204-R207 VanDerWaalsContact O-N 3.1Å; D204-R207 IonicContact OD1-CZ 3.04Å; D204-R207 IonicContact OD1-NH1 2.73Å; D204-R207 PolarHBondContact OD1-NH1 2.85Å; D204-R207 IonicContact OD1-NH2 3.87Å; D204-R207 PolarHBondContact OD1-NH2 2.91Å; D204-L208 WeakPolarHBondContact O-CG 3.22Å; D204-L208 PolarHBondContact O-N 3.03Å |
| 205 | F | 92.9 | Very high | 92.9 | Very high | 118 Ų | 118 | 87.1 Ų | 87.1 | 52% | 0.518 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -55.2 | -50.7 | 174.3 | 174.3 | -102.7 | 0 | 0 | 0 | 111.5 | A201 F202 R207 L208 Q209 | A201-F205 WeakPolarHBondContact O-CB 3.47Å; A201-F205 PolarHBondContact O-N 3.07Å; F202-F205 PolarHBondContact O-N 3.47Å; F205-R207 VanDerWaalsContact C-N 3.27Å; F205-R207 PolarHBondContact O-N 3.04Å; F205-L208 PolarHBondContact O-N 3.15Å; F205-L208 VanDerWaalsContact O-N 3.15Å; F205-Q209 WeakPolarHBondContact O-CB 3.36Å; F205-Q209 PolarHBondContact O-N 3.06Å |
| 206 | K | 93.6 | Very high | 92.4 | Very high | 83 Ų | 83 | 83.4 Ų | 83.4 | 36% | 0.361 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.9 | -36.4 | 176.9 | -73.3 | -172.2 | -62 | -178.3 | 0 | 113 | F202 D204 R210 | F202-K206 HydrophobicContact CD1-CD 4.34Å; F202-K206 HydrophobicContact CE1-CD 3.7Å; F202-K206 HydrophobicContact CE1-CG 4.31Å; F202-K206 HydrophobicContact CE2-CD 4.47Å; F202-K206 HydrophobicContact CE2-CG 4.31Å; F202-K206 HydrophobicContact CZ-CD 3.77Å; F202-K206 HydrophobicContact CZ-CG 4.1Å; F202-K206 WeakPolarHBondContact O-CG 3.44Å; F202-K206 PolarHBondContact O-N 3.45Å; D204-K206 PolarHBondContact O-N 2.83Å; K206-R210 WeakPolarHBondContact O-CD 3.48Å; K206-R210 VanDerWaalsContact O-CG 3.27Å; K206-R210 WeakPolarHBondContact O-CG 3.35Å; K206-R210 PolarHBondContact O-N 2.83Å |
| 207 | R | 94.4 | Very high | 91.8 | Very high | 116 Ų | 116 | 80.8 Ų | 80.8 | 44% | 0.438 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 176.7 | -179.9 | -179.4 | 63.8 | -109.8 | -0.3 | 110.6 | S203 D204 F205 R210 Q211 | S203-R207 PolarHBondContact O-N 3.39Å; S203-R207 VanDerWaalsContact O-N 3.11Å; D204-R207 VanDerWaalsContact CG-NH2 3.29Å; D204-R207 WeakPolarHBondContact O-CB 3.47Å; D204-R207 PolarHBondContact O-N 2.88Å; D204-R207 VanDerWaalsContact O-N 3.1Å; D204-R207 IonicContact OD1-CZ 3.04Å; D204-R207 IonicContact OD1-NH1 2.73Å; D204-R207 PolarHBondContact OD1-NH1 2.85Å; D204-R207 IonicContact OD1-NH2 3.87Å; D204-R207 PolarHBondContact OD1-NH2 2.91Å; F205-R207 VanDerWaalsContact C-N 3.27Å; F205-R207 PolarHBondContact O-N 3.04Å; R207-R210 PolarHBondContact O-N 3Å; R207-Q211 WeakPolarHBondContact O-CG 3.34Å; R207-Q211 PolarHBondContact O-N 3.34Å; R207-Q211 VanDerWaalsContact O-N 3.15Å |
| 208 | L | 92.9 | Very high | 91.1 | Very high | 96 Ų | 96 | 87.2 Ų | 87.2 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 179.2 | -71.7 | 170.6 | 0 | 0 | 0 | 111.5 | D204 F205 R210 Q211 S212 | D204-L208 WeakPolarHBondContact O-CG 3.22Å; D204-L208 PolarHBondContact O-N 3.03Å; F205-L208 PolarHBondContact O-N 3.15Å; F205-L208 VanDerWaalsContact O-N 3.15Å; L208-R210 PolarHBondContact O-N 2.95Å; L208-Q211 WeakPolarHBondContact O-CB 3.31Å; L208-Q211 PolarHBondContact O-N 2.68Å; L208-Q211 VanDerWaalsContact O-N 3.16Å; L208-S212 PolarHBondContact O-N 3.42Å |
| 209 | Q | 93 | Very high | 90.4 | Very high | 81 Ų | 81 | 88.4 Ų | 88.4 | 38% | 0.379 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.2 | -51.9 | 175.3 | -170.5 | 64.3 | 40.6 | 0 | 0 | 111.1 | F205 Q211 S212 D213 | F205-Q209 WeakPolarHBondContact O-CB 3.36Å; F205-Q209 PolarHBondContact O-N 3.06Å; Q209-Q211 VanDerWaalsContact C-N 3.27Å; Q209-Q211 PolarHBondContact O-N 2.96Å; Q209-S212 CarbonylContact O-C 3.54Å; Q209-S212 WeakPolarHBondContact O-CA 3.3Å; Q209-S212 VanDerWaalsContact O-CB 3.3Å; Q209-S212 WeakPolarHBondContact O-CB 3.49Å; Q209-S212 PolarHBondContact O-N 3.1Å; Q209-D213 PolarHBondContact NE2-OD1 2.89Å; Q209-D213 PolarHBondContact O-N 3.39Å |
| 210 | R | 93.4 | Very high | 89.8 | Confident | 172 Ų | 172 | 89.5 Ų | 89.5 | 65% | 0.649 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -58.8 | -37.3 | 177.9 | -69.9 | 168.2 | -173.5 | 169.7 | -1.3 | 113.1 | K206 R207 L208 A214 | K206-R210 WeakPolarHBondContact O-CD 3.48Å; K206-R210 VanDerWaalsContact O-CG 3.27Å; K206-R210 WeakPolarHBondContact O-CG 3.35Å; K206-R210 PolarHBondContact O-N 2.83Å; R207-R210 PolarHBondContact O-N 3Å; L208-R210 PolarHBondContact O-N 2.95Å; R210-A214 VanDerWaalsContact O-CB 3.28Å; R210-A214 WeakPolarHBondContact O-CB 3.38Å; R210-A214 PolarHBondContact O-N 2.84Å |
| 211 | Q | 90.7 | Very high | 88.9 | Confident | 93 Ų | 93 | 93.6 Ų | 93.6 | 44% | 0.435 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 175.9 | -71.7 | 177.4 | 5.6 | 0 | 0 | 111.3 | R207 L208 Q209 R215 | R207-Q211 WeakPolarHBondContact O-CG 3.34Å; R207-Q211 PolarHBondContact O-N 3.34Å; R207-Q211 VanDerWaalsContact O-N 3.15Å; L208-Q211 WeakPolarHBondContact O-CB 3.31Å; L208-Q211 PolarHBondContact O-N 2.68Å; L208-Q211 VanDerWaalsContact O-N 3.16Å; Q209-Q211 VanDerWaalsContact C-N 3.27Å; Q209-Q211 PolarHBondContact O-N 2.96Å; Q211-R215 WeakPolarHBondContact O-CG 3.39Å; Q211-R215 PolarHBondContact O-N 2.96Å |
| 212 | S | 90.6 | Very high | 87.8 | Confident | 28 Ų | 28 | 95.2 Ų | 95.2 | 20% | 0.196 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.8 | -52.8 | 174.1 | -156.3 | 0 | 0 | 0 | 0 | 110.8 | L208 Q209 A214 R215 H216 | L208-S212 PolarHBondContact O-N 3.42Å; Q209-S212 CarbonylContact O-C 3.54Å; Q209-S212 WeakPolarHBondContact O-CA 3.3Å; Q209-S212 VanDerWaalsContact O-CB 3.3Å; Q209-S212 WeakPolarHBondContact O-CB 3.49Å; Q209-S212 PolarHBondContact O-N 3.1Å; S212-A214 VanDerWaalsContact C-N 3.29Å; S212-A214 PolarHBondContact O-N 3.4Å; S212-R215 WeakPolarHBondContact O-CA 3.24Å; S212-R215 WeakPolarHBondContact O-CB 3.47Å; S212-R215 PolarHBondContact O-N 3.01Å; S212-H216 PolarHBondContact O-N 3.44Å; S212-H216 PolarHBondContact O-ND1 3.05Å; S212-H216 PolarHBondContact OG-CE1 3.48Å; S212-H216 VanDerWaalsContact OG-CE1 3.24Å; S212-H216 PolarHBondContact OG-ND1 3.47Å |
| 213 | D | 91.4 | Very high | 86.6 | Confident | 73 Ų | 73 | 98.1 Ų | 98.1 | 39% | 0.39 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.8 | -43 | 179.5 | -55.9 | -18.8 | 0 | 0 | 0 | 111.1 | Q209 R215 H216 V217 | Q209-D213 PolarHBondContact NE2-OD1 2.89Å; Q209-D213 PolarHBondContact O-N 3.39Å; D213-R215 VanDerWaalsContact C-N 3.31Å; D213-R215 PolarHBondContact O-N 3.36Å; D213-H216 PolarHBondContact O-N 3.36Å; D213-V217 WeakPolarHBondContact O-CG2 3.45Å; D213-V217 PolarHBondContact O-N 3.01Å |
| 214 | A | 86.8 | Confident | 85.4 | Confident | 62 Ų | 62 | 99.5 Ų | 99.5 | 51% | 0.512 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R210 S212 R218 | R210-A214 VanDerWaalsContact O-CB 3.28Å; R210-A214 WeakPolarHBondContact O-CB 3.38Å; R210-A214 PolarHBondContact O-N 2.84Å; S212-A214 VanDerWaalsContact C-N 3.29Å; S212-A214 PolarHBondContact O-N 3.4Å; A214-R218 WeakPolarHBondContact O-CB 3.41Å; A214-R218 PolarHBondContact O-N 3.17Å; A214-R218 VanDerWaalsContact O-N 3.15Å |
| 215 | R | 86.6 | Confident | 83.6 | Confident | 129 Ų | 129 | 98.7 Ų | 98.7 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.8 | -46.4 | 173.1 | -73.3 | -173.9 | -58 | -96.9 | 4.5 | 110.9 | Q211 S212 D213 R218 Q219 | Q211-R215 WeakPolarHBondContact O-CG 3.39Å; Q211-R215 PolarHBondContact O-N 2.96Å; S212-R215 WeakPolarHBondContact O-CA 3.24Å; S212-R215 WeakPolarHBondContact O-CB 3.47Å; S212-R215 PolarHBondContact O-N 3.01Å; D213-R215 VanDerWaalsContact C-N 3.31Å; D213-R215 PolarHBondContact O-N 3.36Å; R215-R218 WeakPolarHBondContact O-CB 3.28Å; R215-R218 PolarHBondContact O-N 2.91Å; R215-Q219 WeakPolarHBondContact O-CG 3.15Å; R215-Q219 PolarHBondContact O-N 2.96Å |
| 216 | H | 84.6 | Confident | 81.9 | Confident | 87 Ų | 87 | 96.4 Ų | 96.4 | 40% | 0.403 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.4 | -48.6 | 178.6 | -73.4 | 93.6 | 0 | 0 | 0 | 111.9 | S212 D213 R218 Q219 Q220 | S212-H216 PolarHBondContact O-N 3.44Å; S212-H216 PolarHBondContact O-ND1 3.05Å; S212-H216 PolarHBondContact OG-CE1 3.48Å; S212-H216 VanDerWaalsContact OG-CE1 3.24Å; S212-H216 PolarHBondContact OG-ND1 3.47Å; D213-H216 PolarHBondContact O-N 3.36Å; H216-R218 VanDerWaalsContact C-N 3.32Å; H216-R218 PolarHBondContact O-N 2.86Å; H216-Q219 PolarHBondContact O-N 3.37Å; H216-Q219 VanDerWaalsContact O-N 3.15Å; H216-Q220 WeakPolarHBondContact O-CG 3.39Å; H216-Q220 PolarHBondContact O-N 3.04Å |
| 217 | V | 83.7 | Confident | 79.9 | Confident | 70 Ų | 70 | 98 Ų | 98 | 42% | 0.424 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 111 | D213 Q219 Q220 H221 | D213-V217 WeakPolarHBondContact O-CG2 3.45Å; D213-V217 PolarHBondContact O-N 3.01Å; V217-Q219 PolarHBondContact O-N 3.31Å; V217-Q220 PolarHBondContact O-N 2.9Å; V217-H221 VanDerWaalsContact CG1-CD2 3.45Å; V217-H221 WeakPolarHBondContact CG1-CD2 3.46Å; V217-H221 WeakPolarHBondContact CG1-NE2 3.33Å; V217-H221 PolarHBondContact O-CD2 3.49Å; V217-H221 PolarHBondContact O-N 2.78Å |
| 218 | R | 80.1 | Confident | 77.9 | Confident | 163 Ų | 163 | 97.2 Ų | 97.2 | 62% | 0.615 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.5 | -43.4 | 176.1 | -176.3 | 177.9 | -179.6 | -176.3 | -0.8 | 111.9 | A214 R215 H216 H221 L222 | A214-R218 WeakPolarHBondContact O-CB 3.41Å; A214-R218 PolarHBondContact O-N 3.17Å; A214-R218 VanDerWaalsContact O-N 3.15Å; R215-R218 WeakPolarHBondContact O-CB 3.28Å; R215-R218 PolarHBondContact O-N 2.91Å; H216-R218 VanDerWaalsContact C-N 3.32Å; H216-R218 PolarHBondContact O-N 2.86Å; R218-H221 PolarHBondContact O-N 2.88Å; R218-L222 HydrophobicContact CG-CD1 4.3Å; R218-L222 VanDerWaalsContact O-CG 3.24Å; R218-L222 WeakPolarHBondContact O-CG 3.48Å; R218-L222 PolarHBondContact O-N 2.81Å |
| 219 | Q | 81.8 | Confident | 76 | Confident | 62 Ų | 62 | 96.7 Ų | 96.7 | 29% | 0.29 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 176.6 | -71.4 | -179.9 | 8.1 | 0 | 0 | 111.5 | R215 H216 V217 L222 R223 | R215-Q219 WeakPolarHBondContact O-CG 3.15Å; R215-Q219 PolarHBondContact O-N 2.96Å; H216-Q219 PolarHBondContact O-N 3.37Å; H216-Q219 VanDerWaalsContact O-N 3.15Å; V217-Q219 PolarHBondContact O-N 3.31Å; Q219-L222 WeakPolarHBondContact O-CB 3.41Å; Q219-L222 PolarHBondContact O-N 3.24Å; Q219-R223 WeakPolarHBondContact O-CB 3.48Å; Q219-R223 VanDerWaalsContact O-CG 3.31Å; Q219-R223 WeakPolarHBondContact O-CG 3.47Å; Q219-R223 PolarHBondContact O-N 3.13Å |
| 220 | Q | 80.3 | Confident | 74.2 | Confident | 124 Ų | 124 | 98.6 Ų | 98.6 | 58% | 0.579 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.9 | -44.1 | 175.7 | -73.6 | 177.9 | -8.2 | 0 | 0 | 111.9 | H216 V217 L222 R223 A224 | H216-Q220 WeakPolarHBondContact O-CG 3.39Å; H216-Q220 PolarHBondContact O-N 3.04Å; V217-Q220 PolarHBondContact O-N 2.9Å; Q220-L222 VanDerWaalsContact C-N 3.32Å; Q220-L222 PolarHBondContact O-N 3Å; Q220-R223 CarbonylContact O-C 3.58Å; Q220-R223 PolarHBondContact O-N 2.81Å; Q220-A224 WeakPolarHBondContact O-CB 3.36Å; Q220-A224 PolarHBondContact O-N 2.86Å |
| 221 | H | 75.2 | Confident | 72.4 | Confident | 136 Ų | 136 | 94 Ų | 94 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.9 | -38 | 173.9 | -73.6 | -62.9 | 0 | 0 | 0 | 112.7 | V217 R218 R223 A224 G225 | V217-H221 VanDerWaalsContact CG1-CD2 3.45Å; V217-H221 WeakPolarHBondContact CG1-CD2 3.46Å; V217-H221 WeakPolarHBondContact CG1-NE2 3.33Å; V217-H221 PolarHBondContact O-CD2 3.49Å; V217-H221 PolarHBondContact O-N 2.78Å; R218-H221 PolarHBondContact O-N 2.88Å; H221-R223 VanDerWaalsContact C-N 3.27Å; H221-R223 PolarHBondContact O-N 3.45Å; H221-A224 PolarHBondContact O-N 3.34Å; H221-G225 PolarHBondContact O-N 3Å; H221-G225 VanDerWaalsContact O-N 3.12Å |
| 222 | L | 71.6 | Confident | 70.6 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 36% | 0.356 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.8 | -25.7 | 173.5 | -69.3 | 169.5 | 0 | 0 | 0 | 113 | R218 Q219 Q220 V231 | R218-L222 HydrophobicContact CG-CD1 4.3Å; R218-L222 VanDerWaalsContact O-CG 3.24Å; R218-L222 WeakPolarHBondContact O-CG 3.48Å; R218-L222 PolarHBondContact O-N 2.81Å; Q219-L222 WeakPolarHBondContact O-CB 3.41Å; Q219-L222 PolarHBondContact O-N 3.24Å; Q220-L222 VanDerWaalsContact C-N 3.32Å; Q220-L222 PolarHBondContact O-N 3Å; L222-V231 HydrophobicContact CD2-CB 3.89Å; L222-V231 HydrophobicContact CD2-CG1 4.21Å |
| 223 | R | 67.1 | Low | 68.9 | Low | 175 Ų | 175 | 101.6 Ų | 101.6 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -86.5 | -32.4 | 176 | -72.4 | 175.5 | 177.5 | 164.4 | 0.8 | 112.1 | Q219 Q220 H221 | Q219-R223 WeakPolarHBondContact O-CB 3.48Å; Q219-R223 VanDerWaalsContact O-CG 3.31Å; Q219-R223 WeakPolarHBondContact O-CG 3.47Å; Q219-R223 PolarHBondContact O-N 3.13Å; Q220-R223 CarbonylContact O-C 3.58Å; Q220-R223 PolarHBondContact O-N 2.81Å; H221-R223 VanDerWaalsContact C-N 3.27Å; H221-R223 PolarHBondContact O-N 3.45Å |
| 224 | A | 70 | Confident | 67.3 | Low | 87 Ų | 87 | 99.6 Ų | 99.6 | 72% | 0.719 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -92.1 | -21.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q220 H221 | Q220-A224 WeakPolarHBondContact O-CB 3.36Å; Q220-A224 PolarHBondContact O-N 2.86Å; H221-A224 PolarHBondContact O-N 3.34Å |
| 225 | G | 55.4 | Low | 66.3 | Low | 50 Ų | 50 | 100.7 Ų | 100.7 | 52% | 0.515 | 58% | 0.58 | S | S | . | * | trans | -98.8 | 120.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | H221 | H221-G225 PolarHBondContact O-N 3Å; H221-G225 VanDerWaalsContact O-N 3.12Å | ||
| 226 | G | 57.2 | Low | 65 | Low | 69 Ų | 69 | 99.7 Ų | 99.7 | 71% | 0.711 | 58% | 0.583 | S | S | * | * | cis | 72.2 | 63.6 | 29 | 0 | 0 | 0 | 0 | 0 | 110.7 | A228 | G226-A228 VanDerWaalsContact C-N 3.34Å; G226-A228 PolarHBondContact O-N 2.97Å | ||
| 227 | A | 51.7 | Low | 63.9 | Low | 118 Ų | 118 | 104.6 Ų | 104.6 | 98% | 0.975 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 53.5 | -13.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||
| 228 | A | 50.9 | Low | 62.7 | Low | 98 Ų | 98 | 110.4 Ų | 110.4 | 81% | 0.81 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -119.2 | 3 | -164.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | G226 | G226-A228 VanDerWaalsContact C-N 3.34Å; G226-A228 PolarHBondContact O-N 2.97Å |
| 229 | A | 54 | Low | 61.9 | Low | 86 Ų | 86 | 107.1 Ų | 107.1 | 71% | 0.711 | 61% | 0.607 | S | S | * | * | trans | -144.5 | 89.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V231 | A229-V231 PolarHBondContact O-N 2.8Š| ||
| 230 | S | 56.3 | Low | 61.1 | Low | 120 Ų | 120 | 110 Ų | 110 | 84% | 0.839 | 62% | 0.624 | S | S | * | * | trans | -67.4 | 67.5 | 179.5 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | P232 | S230-P232 WeakPolarHBondContact O-CD 3.39Š| ||
| 231 | V | 53.6 | Low | 60 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | trans | -73 | 111.9 | 155.6 | 179.7 | 0 | 0 | 0 | 0 | 105.2 | L222 A229 R233 | L222-V231 HydrophobicContact CD2-CB 3.89Å; L222-V231 HydrophobicContact CD2-CG1 4.21Å; A229-V231 PolarHBondContact O-N 2.8Å; V231-R233 PolarHBondContact O-N 2.89Å | ||
| 232 | P | 54.2 | Low | 59.2 | Low | 46 Ų | 46 | 105.3 Ų | 105.3 | 30% | 0.299 | 62% | 0.619 | S | S | . | * | trans | -68.1 | 133 | -170.5 | 15.3 | -16 | 0 | 0 | 0 | 111.2 | S230 A234 L236 L239 | S230-P232 WeakPolarHBondContact O-CD 3.39Å; P232-A234 CarbonylContact C-O 3.6Å; P232-A234 WeakPolarHBondContact CB-O 3.25Å; P232-A234 PolarHBondContact O-N 2.95Å; P232-A234 VanDerWaalsContact O-N 3.15Å; P232-A234 VanDerWaalsContact O-O 3.13Å; P232-L236 HydrophobicContact CG-CD1 4.48Å; P232-L236 HydrophobicContact CG-CD2 4.47Å; P232-L236 HydrophobicContact CG-CG 3.89Å; P232-L239 HydrophobicContact CB-CD1 2.93Å; P232-L239 HydrophobicContact CB-CG 4.39Å; P232-L239 HydrophobicContact CG-CD1 3.57Å | ||
| 233 | R | 55.4 | Low | 58.5 | Low | 235 Ų | 235 | 111.7 Ų | 111.7 | 89% | 0.887 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -59.2 | -22.4 | 176.6 | -68.3 | -177.9 | 129.2 | 174.3 | -1.9 | 112.6 | V231 | V231-R233 PolarHBondContact O-N 2.89Š|
| 234 | A | 57.7 | Low | 57.9 | Low | 31 Ų | 31 | 106.7 Ų | 106.7 | 26% | 0.256 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -102.6 | 148.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P232 L236 R238 L239 | P232-A234 CarbonylContact C-O 3.6Å; P232-A234 WeakPolarHBondContact CB-O 3.25Å; P232-A234 PolarHBondContact O-N 2.95Å; P232-A234 VanDerWaalsContact O-N 3.15Å; P232-A234 VanDerWaalsContact O-O 3.13Å; A234-L236 PolarHBondContact O-N 2.99Å; A234-R238 HydrophobicContact CB-CB 4.39Å; A234-L239 HydrophobicContact CB-CG 4.49Å |
| 235 | P | 65.3 | Low | 57.1 | Low | 86 Ų | 86 | 107.5 Ų | 107.5 | 56% | 0.558 | 64% | 0.642 | S | S | * | * | trans | -52.8 | 133.8 | 175 | 21.4 | -32.4 | 0 | 0 | 0 | 109.9 | R237 R238 | P235-R237 CarbonylContact O-C 3.58Å; P235-R237 PolarHBondContact O-N 2.77Å; P235-R238 HydrophobicContact CG-CG 4.12Å; P235-R238 PolarHBondContact O-N 2.93Å | ||
| 236 | L | 58.7 | Low | 57.1 | Low | 107 Ų | 107 | 113.4 Ų | 113.4 | 56% | 0.56 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -45.6 | -35.1 | -177.6 | -99.9 | 141.5 | 0 | 0 | 0 | 112.8 | P232 A234 R238 L239 L240 | P232-L236 HydrophobicContact CG-CD1 4.48Å; P232-L236 HydrophobicContact CG-CD2 4.47Å; P232-L236 HydrophobicContact CG-CG 3.89Å; A234-L236 PolarHBondContact O-N 2.99Å; L236-R238 VanDerWaalsContact C-N 3.33Å; L236-R238 PolarHBondContact O-N 2.87Å; L236-L239 PolarHBondContact O-N 3.49Å; L236-L239 VanDerWaalsContact O-N 3.11Å; L236-L240 HydrophobicContact CB-CD1 4.17Å; L236-L240 HydrophobicContact CD2-CD1 3.75Å; L236-L240 HydrophobicContact CD2-CG 4.08Å; L236-L240 VanDerWaalsContact O-CB 3.3Å; L236-L240 WeakPolarHBondContact O-CB 3.42Å; L236-L240 VanDerWaalsContact O-CG 3.27Å; L236-L240 WeakPolarHBondContact O-CG 3.44Å; L236-L240 PolarHBondContact O-N 3.35Å |
| 237 | R | 61.5 | Low | 57 | Low | 191 Ų | 191 | 120.9 Ų | 120.9 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -52.4 | -42.8 | 172.4 | 174.7 | 178.1 | 161.7 | 155.3 | -3.7 | 113.4 | P235 L239 N241 | P235-R237 CarbonylContact O-C 3.58Å; P235-R237 PolarHBondContact O-N 2.77Å; R237-L239 VanDerWaalsContact C-N 3.32Å; R237-N241 WeakPolarHBondContact CG-ND2 3.41Å; R237-N241 WeakPolarHBondContact O-CA 3.34Å; R237-N241 WeakPolarHBondContact O-CB 3.31Å; R237-N241 PolarHBondContact O-N 3.23Å |
| 238 | R | 59.9 | Low | 57.2 | Low | 191 Ų | 191 | 119.3 Ų | 119.3 | 72% | 0.721 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.8 | -31.2 | 179.3 | -77.2 | -176.2 | 109.5 | -179.3 | 4.3 | 112.5 | A234 P235 L236 | A234-R238 HydrophobicContact CB-CB 4.39Å; P235-R238 HydrophobicContact CG-CG 4.12Å; P235-R238 PolarHBondContact O-N 2.93Å; L236-R238 VanDerWaalsContact C-N 3.33Å; L236-R238 PolarHBondContact O-N 2.87Å |
| 239 | L | 63.3 | Low | 57.3 | Low | 95 Ų | 95 | 119.6 Ų | 119.6 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -83.9 | -39.4 | 179.5 | -66.5 | 166.4 | 0 | 0 | 0 | 112.2 | P232 A234 L236 R237 A242 | P232-L239 HydrophobicContact CB-CD1 2.93Å; P232-L239 HydrophobicContact CB-CG 4.39Å; P232-L239 HydrophobicContact CG-CD1 3.57Å; A234-L239 HydrophobicContact CB-CG 4.49Å; L236-L239 PolarHBondContact O-N 3.49Å; L236-L239 VanDerWaalsContact O-N 3.11Å; R237-L239 VanDerWaalsContact C-N 3.32Å; L239-A242 VanDerWaalsContact O-CB 3.32Å; L239-A242 WeakPolarHBondContact O-CB 3.33Å; L239-A242 PolarHBondContact O-N 2.76Å |
| 240 | L | 63.3 | Low | 57.2 | Low | 123 Ų | 123 | 121.2 Ų | 121.2 | 64% | 0.644 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.4 | -33.1 | 176.2 | -65.1 | 172.6 | 0 | 0 | 0 | 111.7 | L236 A242 | L236-L240 HydrophobicContact CB-CD1 4.17Å; L236-L240 HydrophobicContact CD2-CD1 3.75Å; L236-L240 HydrophobicContact CD2-CG 4.08Å; L236-L240 VanDerWaalsContact O-CB 3.3Å; L236-L240 WeakPolarHBondContact O-CB 3.42Å; L236-L240 VanDerWaalsContact O-CG 3.27Å; L236-L240 WeakPolarHBondContact O-CG 3.44Å; L236-L240 PolarHBondContact O-N 3.35Å; L240-A242 PolarHBondContact O-N 3.44Å |
| 241 | N | 58.5 | Low | 57 | Low | 78 Ų | 78 | 120.4 Ų | 120.4 | 42% | 0.417 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -80.7 | 5.1 | 173.7 | -67.6 | -1.6 | 0 | 0 | 0 | 113.5 | R237 K243 C244 | R237-N241 WeakPolarHBondContact CG-ND2 3.41Å; R237-N241 WeakPolarHBondContact O-CA 3.34Å; R237-N241 WeakPolarHBondContact O-CB 3.31Å; R237-N241 PolarHBondContact O-N 3.23Å; N241-K243 PolarHBondContact O-N 3.38Å; N241-K243 VanDerWaalsContact O-N 3.14Å; N241-C244 HydrophobicContact CB-CB 4.03Å; N241-C244 VanDerWaalsContact O-CB 3.27Å; N241-C244 WeakPolarHBondContact O-CB 3.41Å; N241-C244 PolarHBondContact O-N 3.09Å |
| 242 | A | 57.2 | Low | 56.6 | Low | 83 Ų | 83 | 125.4 Ų | 125.4 | 69% | 0.686 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -61.7 | -19.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L239 L240 | L239-A242 VanDerWaalsContact O-CB 3.32Å; L239-A242 WeakPolarHBondContact O-CB 3.33Å; L239-A242 PolarHBondContact O-N 2.76Å; L240-A242 PolarHBondContact O-N 3.44Å |
| 243 | K | 57.9 | Low | 56.7 | Low | 201 Ų | 201 | 134.3 Ų | 134.3 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -99.5 | 6.1 | 172.5 | -63.2 | -175.5 | 179.5 | -176.9 | 0 | 114 | N241 A245 | N241-K243 PolarHBondContact O-N 3.38Å; N241-K243 VanDerWaalsContact O-N 3.14Å; K243-A245 PolarHBondContact O-N 3.43Å |
| 244 | C | 54.5 | Low | 56.3 | Low | 70 Ų | 70 | 128.2 Ų | 128.2 | 47% | 0.473 | 67% | 0.667 | S | S | . | * | trans | -76.5 | 114.6 | 176.7 | -169.7 | 0 | 0 | 0 | 0 | 108.9 | N241 Y246 | N241-C244 HydrophobicContact CB-CB 4.03Å; N241-C244 VanDerWaalsContact O-CB 3.27Å; N241-C244 WeakPolarHBondContact O-CB 3.41Å; N241-C244 PolarHBondContact O-N 3.09Å; C244-Y246 PolarHBondContact O-N 3.16Å; C244-Y246 VanDerWaalsContact SG-CB 3.6Å | ||
| 245 | A | 53.1 | Low | 56.3 | Low | 105 Ų | 105 | 139.2 Ų | 139.2 | 87% | 0.868 | 70% | 0.702 | S | S | * | * | trans | -66.3 | 0.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K243 R247 | K243-A245 PolarHBondContact O-N 3.43Å; A245-R247 VanDerWaalsContact C-N 3.25Å; A245-R247 PolarHBondContact O-N 3.15Å | ||
| 246 | Y | 55 | Low | 55.9 | Low | 173 Ų | 173 | 138.4 Ų | 138.4 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | trans | -70.3 | 86.2 | 168.4 | -171.4 | -101.2 | 0 | 0 | 0 | 109.2 | C244 P248 | C244-Y246 PolarHBondContact O-N 3.16Å; C244-Y246 VanDerWaalsContact SG-CB 3.6Å; Y246-P248 HydrophobicContact CE1-CB 4.05Å; Y246-P248 WeakPolarHBondContact O-CD 3.2Å | ||
| 247 | R | 56.3 | Low | 55.9 | Low | 226 Ų | 226 | 137.2 Ų | 137.2 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | trans | -73.6 | 105.9 | 155.7 | -92.6 | -173.6 | -178.9 | 159.6 | 1.1 | 106.3 | A245 | A245-R247 VanDerWaalsContact C-N 3.25Å; A245-R247 PolarHBondContact O-N 3.15Å | ||
| 248 | P | 53.9 | Low | 55.7 | Low | 85 Ų | 85 | 133.8 Ų | 133.8 | 55% | 0.552 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 133.8 | 159.2 | 24 | -31.3 | 0 | 0 | 0 | 106.8 | Y246 | Y246-P248 HydrophobicContact CE1-CB 4.05Å; Y246-P248 WeakPolarHBondContact O-CD 3.2Å |
| 249 | P | 53 | Low | 55.8 | Low | 104 Ų | 104 | 136.3 Ų | 136.3 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 141.2 | -176.4 | 17.6 | -29.3 | 0 | 0 | 0 | 109.6 | S251 | P249-S251 PolarHBondContact O-N 2.92Å; P249-S251 VanDerWaalsContact O-N 3.1Å |
| 250 | P | 52.3 | Low | 55.5 | Low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 126.9 | 177.5 | 9.9 | -13.7 | 0 | 0 | 0 | 107.5 | E252 | P250-E252 VanDerWaalsContact C-N 3.34Å; P250-E252 PolarHBondContact O-N 3.29Å |
| 251 | S | 51.8 | Low | 55.1 | Low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | -53.4 | 96.7 | -176 | 56 | 0 | 0 | 0 | 0 | 110 | P249 R253 | P249-S251 PolarHBondContact O-N 2.92Å; P249-S251 VanDerWaalsContact O-N 3.1Å; S251-R253 VanDerWaalsContact C-N 3.35Å; S251-R253 PolarHBondContact O-N 3.26Å; S251-R253 VanDerWaalsContact O-N 3.1Å | ||
| 252 | E | 46.4 | Very low | 54.7 | Low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -54.7 | 117.2 | 139.3 | -84.3 | -173.7 | 166.8 | 0 | 0 | 104.6 | P250 S254 | P250-E252 VanDerWaalsContact C-N 3.34Å; P250-E252 PolarHBondContact O-N 3.29Å; E252-S254 PolarHBondContact O-N 3.45Å | ||
| 253 | R | 55 | Low | 54.7 | Low | 233 Ų | 233 | 144.1 Ų | 144.1 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | -61.5 | 81.8 | -175.9 | -68.9 | 171.3 | 173 | -170.4 | -2.3 | 108.2 | S251 R255 | S251-R253 VanDerWaalsContact C-N 3.35Å; S251-R253 PolarHBondContact O-N 3.26Å; S251-R253 VanDerWaalsContact O-N 3.1Å; R253-R255 PolarHBondContact O-N 2.88Å | ||
| 254 | S | 47.8 | Very low | 54.1 | Low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -65.5 | 105.9 | 168.2 | -57.1 | 0 | 0 | 0 | 0 | 106.4 | E252 G256 | E252-S254 PolarHBondContact O-N 3.45Å; S254-G256 PolarHBondContact O-N 2.93Å | ||
| 255 | R | 57.2 | Low | 53.7 | Low | 261 Ų | 261 | 147.5 Ų | 147.5 | 99% | 0.985 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 35.9 | 173.1 | -70.3 | 177.1 | 165.2 | -171.9 | -3.5 | 113.3 | R253 | R253-R255 PolarHBondContact O-N 2.88Š|
| 256 | G | 57.9 | Low | 53.1 | Low | 69 Ų | 69 | 151.1 Ų | 151.1 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.7 | -20.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S254 | S254-G256 PolarHBondContact O-N 2.93Š|
| 257 | A | 58.9 | Low | 52.7 | Low | 83 Ų | 83 | 147.9 Ų | 147.9 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -118.8 | 118.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | R259 | A257-R259 PolarHBondContact O-N 2.79Š|
| 258 | P | 56.7 | Low | 52.3 | Low | 118 Ų | 118 | 146.3 Ų | 146.3 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -54.6 | 132.4 | 172.8 | -21.1 | 31.1 | 0 | 0 | 0 | 109.6 | L260 | P258-L260 PolarHBondContact O-N 2.85Š| ||
| 259 | R | 62.4 | Low | 51.9 | Low | 245 Ų | 245 | 150.1 Ų | 150.1 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -62.8 | 105.5 | 173.4 | -75.3 | -174.9 | 162 | -164.5 | -5.2 | 108 | A257 S261 | A257-R259 PolarHBondContact O-N 2.79Å; R259-S261 PolarHBondContact O-N 2.84Å | ||
| 260 | L | 56.9 | Low | 51.5 | Low | 174 Ų | 174 | 154.4 Ų | 154.4 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -64.2 | 104.9 | 168.7 | -72 | 168.4 | 0 | 0 | 0 | 107.5 | P258 | P258-L260 PolarHBondContact O-N 2.85Š| ||
| 261 | S | 53.9 | Low | 50.8 | Low | 100 Ų | 100 | 156.9 Ų | 156.9 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -66.2 | 155.7 | 169.5 | 46 | 0 | 0 | 0 | 0 | 109.7 | R259 I263 | R259-S261 PolarHBondContact O-N 2.84Å; S261-I263 PolarHBondContact O-N 2.8Å | ||
| 262 | S | 51.6 | Low | 50.3 | Low | 110 Ų | 110 | 160.6 Ų | 160.6 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -59.6 | 122.9 | 166.9 | 49.4 | 0 | 0 | 0 | 0 | 108.5 | Q264 | S262-Q264 PolarHBondContact O-N 2.93Å; S262-Q264 VanDerWaalsContact O-N 3.09Å | ||
| 263 | I | 57.2 | Low | 49.9 | Very low | 158 Ų | 158 | 158.5 Ų | 158.5 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -65.9 | 108.9 | 169.7 | -57 | 170 | 0 | 0 | 0 | 105.7 | S261 E265 | S261-I263 PolarHBondContact O-N 2.8Å; I263-E265 PolarHBondContact O-N 2.8Å | ||
| 264 | Q | 43.5 | Very low | 49.3 | Very low | 174 Ų | 174 | 154.8 Ų | 154.8 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -66.1 | 116.8 | 163.5 | -94.2 | 174.7 | -28.6 | 0 | 0 | 105.9 | S262 E266 | S262-Q264 PolarHBondContact O-N 2.93Å; S262-Q264 VanDerWaalsContact O-N 3.09Å; Q264-E266 PolarHBondContact O-N 3.49Å | ||
| 265 | E | 47.3 | Very low | 49 | Very low | 168 Ų | 168 | 153.9 Ų | 153.9 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -67.2 | 108.3 | 161.7 | -65.1 | -179 | 170.6 | 0 | 0 | 104.7 | I263 D267 | I263-E265 PolarHBondContact O-N 2.8Å; E265-D267 PolarHBondContact O-N 3.3Å | ||
| 266 | E | 41.1 | Very low | 48.1 | Very low | 182 Ų | 182 | 150.7 Ų | 150.7 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -61.7 | 117.3 | 169.5 | -79.7 | 171.4 | 175.3 | 0 | 0 | 107 | Q264 E268 | Q264-E266 PolarHBondContact O-N 3.49Å; E266-E268 PolarHBondContact O-N 2.79Å | ||
| 267 | D | 45.5 | Very low | 47.1 | Very low | 104 Ų | 104 | 156.6 Ų | 156.6 | 56% | 0.556 | 81% | 0.805 | S | S | * | * | trans | -64 | 116.8 | 162.9 | -75.9 | -42.7 | 0 | 0 | 0 | 105.3 | E265 E269 | E265-D267 PolarHBondContact O-N 3.3Å; D267-E269 PolarHBondContact O-N 3.05Å | ||
| 268 | E | 49 | Very low | 46.3 | Very low | 194 Ų | 194 | 164.5 Ų | 164.5 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | -63.8 | 79.6 | 169 | -71.9 | 175.8 | 170.5 | 0 | 0 | 107.4 | E266 E270 | E266-E268 PolarHBondContact O-N 2.79Å; E268-E270 PolarHBondContact O-N 3.38Å | ||
| 269 | E | 44.7 | Very low | 45.6 | Very low | 165 Ų | 165 | 168.5 Ų | 168.5 | 77% | 0.771 | 83% | 0.825 | S | S | * | * | trans | -64.2 | 122.5 | 162.4 | -68.9 | -176.2 | 178 | 0 | 0 | 106.2 | D267 E271 | D267-E269 PolarHBondContact O-N 3.05Å; E269-E271 VanDerWaalsContact C-N 3.34Å; E269-E271 PolarHBondContact O-N 3.38Å | ||
| 270 | E | 43.6 | Very low | 44.1 | Very low | 194 Ų | 194 | 160.9 Ų | 160.9 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -58.8 | 98.1 | 174.8 | -65.6 | 179.1 | 165.4 | 0 | 0 | 107.7 | E268 E272 | E268-E270 PolarHBondContact O-N 3.38Å; E270-E272 PolarHBondContact O-N 2.87Å | ||
| 271 | E | 37.8 | Very low | 42.7 | Very low | 172 Ų | 172 | 156.4 Ų | 156.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -57.6 | 107.1 | 172 | -77.8 | -178.8 | 155.7 | 0 | 0 | 108.3 | E269 D273 | E269-E271 VanDerWaalsContact C-N 3.34Å; E269-E271 PolarHBondContact O-N 3.38Å; E271-D273 VanDerWaalsContact C-N 3.29Å; E271-D273 PolarHBondContact O-N 2.84Å | ||
| 272 | E | 42.2 | Very low | 41.6 | Very low | 181 Ų | 181 | 156.2 Ų | 156.2 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -64.5 | 95.7 | 158.5 | -80.6 | -175.6 | 146.1 | 0 | 0 | 107.3 | E270 D274 | E270-E272 PolarHBondContact O-N 2.87Å; E272-D274 VanDerWaalsContact C-N 3.31Å; E272-D274 PolarHBondContact O-N 2.73Å | ||
| 273 | D | 37.4 | Very low | 40.9 | Very low | 136 Ų | 136 | 157.2 Ų | 157.2 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -62.9 | 88.4 | 170.1 | -79.5 | -38.9 | 0 | 0 | 0 | 110.3 | E271 | E271-D273 VanDerWaalsContact C-N 3.29Å; E271-D273 PolarHBondContact O-N 2.84Å | ||
| 274 | D | 41.9 | Very low | 39.9 | Very low | 156 Ų | 156 | 158.4 Ų | 158.4 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | trans | -89.9 | 87.5 | 155.5 | -80.6 | -34.7 | 0 | 0 | 0 | 108.5 | E272 | E272-D274 VanDerWaalsContact C-N 3.31Å; E272-D274 PolarHBondContact O-N 2.73Å | ||
| 275 | A | 41.8 | Very low | 39.6 | Very low | 87 Ų | 87 | 159.4 Ų | 159.4 | 72% | 0.719 | 83% | 0.834 | S | S | * | * | trans | -109.6 | 112.7 | 167 | 0 | 0 | 0 | 0 | 0 | 109.8 | E277 | A275-E277 PolarHBondContact O-N 3.16Š| ||
| 276 | E | 38.6 | Very low | 39.3 | Very low | 195 Ų | 195 | 158.1 Ų | 158.1 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -54.7 | 125.3 | 171.9 | -60.9 | 179.6 | 151.8 | 0 | 0 | 111.7 | R278 | E276-R278 PolarHBondContact O-N 3.37Š| ||
| 277 | E | 38.3 | Very low | 39.5 | Very low | 193 Ų | 193 | 157.6 Ų | 157.6 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -80.1 | 112.9 | 167.8 | -74.9 | -171.5 | 165 | 0 | 0 | 109.8 | A275 | A275-E277 PolarHBondContact O-N 3.16Š| ||
| 278 | R | 42 | Very low | 39.4 | Very low | 248 Ų | 248 | 157.4 Ų | 157.4 | 94% | 0.936 | 82% | 0.822 | S | S | * | * | trans | -86.4 | 138.4 | 156.4 | -90.5 | -169.4 | 172.3 | -175.5 | -0.9 | 110.4 | E276 | E276-R278 PolarHBondContact O-N 3.37Š| ||
| 279 | E | 40.3 | Very low | 39.4 | Very low | 202 Ų | 202 | 154.3 Ų | 154.3 | 94% | 0.944 | 81% | 0.808 | S | S | * | * | trans | -56.1 | 157 | -167.7 | -63.2 | -167.8 | 136.8 | 0 | 0 | 118.2 | ||||
| 280 | G | 31 | Very low | 39.5 | Very low | 85 Ų | 85 | 151.1 Ų | 151.1 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | 153.3 | 90 | 143.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 281 | G | 28.2 | Very low | 39.6 | Very low | 81 Ų | 81 | 146.5 Ų | 146.5 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | 167.4 | 112.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 282 | A | 30.2 | Very low | 40.2 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 157.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 283 | P | 38.3 | Very low | 40.6 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 131.8 | -168.1 | 31.5 | -33.2 | 0 | 0 | 0 | 113.3 | ||
| 284 | Q | 35 | Very low | 41.1 | Very low | 182 Ų | 182 | 133 Ų | 133 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 122.5 | 165.1 | -68.6 | -177.9 | -7.1 | 0 | 0 | 109 | E286 | Q284-E286 PolarHBondContact O-N 3.14Š|
| 285 | H | 38.5 | Very low | 41.5 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 91% | 0.907 | 73% | 0.725 | S | S | * | * | trans | -46.4 | 113.6 | -179.9 | -162.4 | 66.7 | 0 | 0 | 0 | 112.8 | ||||
| 286 | E | 40.3 | Very low | 41.9 | Very low | 140 Ų | 140 | 136 Ų | 136 | 65% | 0.654 | 72% | 0.716 | S | S | * | * | trans | -77.3 | 134 | 178.7 | -65.1 | -170.2 | 149.8 | 0 | 0 | 111.3 | Q284 | Q284-E286 PolarHBondContact O-N 3.14Š| ||
| 287 | R | 44.8 | Very low | 42.6 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | trans | -68.8 | 134.3 | 176 | -92.4 | -178.2 | 159.6 | -148 | -0.4 | 110.9 | E289 V290 | R287-E289 IonicContact NH1-OE2 2.67Å; R287-E289 PolarHBondContact NH1-OE2 3.42Å; R287-E289 VanDerWaalsContact NH1-OE2 3.16Å; R287-E289 PolarHBondContact O-N 2.8Å; R287-V290 PolarHBondContact O-N 2.89Å; R287-V290 VanDerWaalsContact O-N 3.11Å | ||
| 288 | P | 43.8 | Very low | 43.3 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -61.5 | -19 | -176.6 | 22.8 | -32.8 | 0 | 0 | 0 | 114.5 | V290 L291 S292 | P288-V290 VanDerWaalsContact C-N 3.3Å; P288-V290 PolarHBondContact O-N 3.47Å; P288-L291 PolarHBondContact O-N 2.99Å; P288-S292 PolarHBondContact O-N 3.25Å |
| 289 | E | 48.7 | Very low | 43.5 | Very low | 129 Ų | 129 | 127 Ų | 127 | 60% | 0.603 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -63.3 | -32.1 | 176 | -62.5 | 172.3 | 159.6 | 0 | 0 | 112.9 | R287 L293 | R287-E289 IonicContact NH1-OE2 2.67Å; R287-E289 PolarHBondContact NH1-OE2 3.42Å; R287-E289 VanDerWaalsContact NH1-OE2 3.16Å; R287-E289 PolarHBondContact O-N 2.8Å; E289-L293 PolarHBondContact O-N 3.23Å |
| 290 | V | 47.7 | Very low | 43.8 | Very low | 97 Ų | 97 | 122.5 Ų | 122.5 | 59% | 0.588 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -76.5 | -35.2 | -177.3 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | R287 P288 A294 | R287-V290 PolarHBondContact O-N 2.89Å; R287-V290 VanDerWaalsContact O-N 3.11Å; P288-V290 VanDerWaalsContact C-N 3.3Å; P288-V290 PolarHBondContact O-N 3.47Å; V290-A294 PolarHBondContact O-N 3.11Å |
| 291 | L | 45.1 | Very low | 44.7 | Very low | 97 Ų | 97 | 123.1 Ų | 123.1 | 51% | 0.508 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -73.6 | -32.4 | 177 | -64.9 | 174.1 | 0 | 0 | 0 | 111.9 | P288 R295 | P288-L291 PolarHBondContact O-N 2.99Å; L291-R295 PolarHBondContact O-N 3.05Å |
| 292 | S | 49.4 | Very low | 45.5 | Very low | 65 Ų | 65 | 127.2 Ų | 127.2 | 46% | 0.455 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -66.6 | -44.2 | 175 | -171 | 0 | 0 | 0 | 0 | 111.7 | P288 A294 R295 E296 | P288-S292 PolarHBondContact O-N 3.25Å; S292-A294 VanDerWaalsContact C-N 3.34Å; S292-A294 PolarHBondContact O-N 3.5Å; S292-R295 PolarHBondContact O-N 3.26Å; S292-R295 VanDerWaalsContact O-N 3.16Å; S292-E296 PolarHBondContact O-N 3.29Å; S292-E296 VanDerWaalsContact O-N 3.09Å |
| 293 | L | 51.4 | Low | 46.1 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 51% | 0.513 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -68.3 | -34.6 | -179.7 | -159.8 | 75.4 | 0 | 0 | 0 | 112 | E289 R295 E296 L297 | E289-L293 PolarHBondContact O-N 3.23Å; L293-R295 VanDerWaalsContact C-N 3.28Å; L293-R295 PolarHBondContact O-N 3.47Å; L293-E296 PolarHBondContact O-N 3.4Å; L293-L297 WeakPolarHBondContact O-CG 3.32Å; L293-L297 PolarHBondContact O-N 3.16Å |
| 294 | A | 48.3 | Very low | 46.2 | Very low | 44 Ų | 44 | 131.6 Ų | 131.6 | 36% | 0.364 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -66.8 | -27.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | V290 S292 R298 | V290-A294 PolarHBondContact O-N 3.11Å; S292-A294 VanDerWaalsContact C-N 3.34Å; S292-A294 PolarHBondContact O-N 3.5Å; A294-R298 WeakPolarHBondContact O-CG 3.09Å |
| 295 | R | 50.1 | Low | 46.7 | Very low | 193 Ų | 193 | 129.4 Ų | 129.4 | 73% | 0.728 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -76.6 | -40.6 | 173.2 | -76.9 | 178.3 | 174.3 | -178.1 | -1.4 | 112 | L291 S292 L293 L297 R298 T299 | L291-R295 PolarHBondContact O-N 3.05Å; S292-R295 PolarHBondContact O-N 3.26Å; S292-R295 VanDerWaalsContact O-N 3.16Å; L293-R295 VanDerWaalsContact C-N 3.28Å; L293-R295 PolarHBondContact O-N 3.47Å; R295-L297 VanDerWaalsContact C-N 3.33Å; R295-L297 PolarHBondContact O-N 3.45Å; R295-R298 PolarHBondContact O-N 3.32Å; R295-T299 PolarHBondContact O-N 3.16Å |
| 296 | E | 50.7 | Low | 47.2 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 53% | 0.528 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -65.5 | -34.2 | 175.9 | -72.7 | -178.9 | 164.2 | 0 | 0 | 112.9 | S292 L293 R298 T299 C300 | S292-E296 PolarHBondContact O-N 3.29Å; S292-E296 VanDerWaalsContact O-N 3.09Å; L293-E296 PolarHBondContact O-N 3.4Å; E296-R298 PolarHBondContact O-N 3.09Å; E296-T299 PolarHBondContact O-N 3.25Å; E296-T299 PolarHBondContact O-OG1 3.24Å; E296-C300 PolarHBondContact O-N 3.01Å; E296-C300 PolarHBondContact O-SG 3.47Å |
| 297 | L | 53.4 | Low | 48 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.3 | -20.7 | 175.4 | -71.9 | 168.4 | 0 | 0 | 0 | 113.2 | L293 R295 | L293-L297 WeakPolarHBondContact O-CG 3.32Å; L293-L297 PolarHBondContact O-N 3.16Å; R295-L297 VanDerWaalsContact C-N 3.33Å; R295-L297 PolarHBondContact O-N 3.45Å |
| 298 | R | 51.2 | Low | 48.6 | Very low | 208 Ų | 208 | 120.5 Ų | 120.5 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -83.2 | -25.6 | 176.1 | -72.8 | 176.8 | -176.5 | 178 | 1.9 | 113 | A294 R295 E296 | A294-R298 WeakPolarHBondContact O-CG 3.09Å; R295-R298 PolarHBondContact O-N 3.32Å; E296-R298 PolarHBondContact O-N 3.09Å |
| 299 | T | 47.2 | Very low | 49.4 | Very low | 114 Ų | 114 | 121.4 Ų | 121.4 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -85.1 | -17.6 | 179.3 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | R295 E296 S301 | R295-T299 PolarHBondContact O-N 3.16Å; E296-T299 PolarHBondContact O-N 3.25Å; E296-T299 PolarHBondContact O-OG1 3.24Å; T299-S301 PolarHBondContact O-N 3.03Å |
| 300 | C | 47 | Very low | 50 | Low | 107 Ų | 107 | 120.7 Ų | 120.7 | 72% | 0.723 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 1.7 | -178.2 | -71.4 | 0 | 0 | 0 | 0 | 115.5 | E296 | E296-C300 PolarHBondContact O-N 3.01Å; E296-C300 PolarHBondContact O-SG 3.47Å |
| 301 | S | 49.6 | Very low | 50.3 | Low | 98 Ų | 98 | 122.2 Ų | 122.2 | 69% | 0.685 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 15 | -172.6 | -158.1 | 0 | 0 | 0 | 0 | 116.3 | T299 | T299-S301 PolarHBondContact O-N 3.03Š|
| 302 | L | 45.8 | Very low | 50.7 | Low | 168 Ų | 168 | 122.4 Ų | 122.4 | 88% | 0.88 | 71% | 0.712 | S | S | * | * | trans | -134 | 62.5 | 176.6 | -67.3 | 173.9 | 0 | 0 | 0 | 112.8 | ||||
| 303 | R | 41.1 | Very low | 50.7 | Low | 243 Ų | 243 | 127.7 Ų | 127.7 | 92% | 0.917 | 73% | 0.73 | S | S | * | * | trans | -138.6 | 96.5 | 149 | -79 | -164.6 | 178.9 | -158.4 | -0.8 | 109.2 | ||||
| 304 | G | 41.2 | Very low | 50.4 | Low | 75 Ų | 75 | 129.1 Ų | 129.1 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 143 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 305 | V | 46.3 | Very low | 50.1 | Low | 136 Ų | 136 | 138.2 Ų | 138.2 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 130.8 | 173.2 | 177.2 | 0 | 0 | 0 | 0 | 108.9 | ||
| 306 | P | 48.8 | Very low | 49.7 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 136.9 | 174.8 | 25.7 | -31.1 | 0 | 0 | 0 | 110.7 | ||
| 307 | A | 55.8 | Low | 49.2 | Very low | 90 Ų | 90 | 146.5 Ų | 146.5 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 145.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 308 | P | 57.8 | Low | 48.6 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 147.8 | 175.2 | 28.4 | -33.1 | 0 | 0 | 0 | 111.5 | ||
| 309 | P | 60.7 | Low | 48.5 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 152.5 | 179.2 | 28.4 | -33.9 | 0 | 0 | 0 | 112.1 | ||
| 310 | P | 61.3 | Low | 48.4 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 152 | -177.9 | 27.7 | -34.2 | 0 | 0 | 0 | 112.4 | A312 | P310-A312 PolarHBondContact O-N 2.96Š|
| 311 | P | 54 | Low | 48.2 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 133.8 | -178.8 | 26.3 | -32.9 | 0 | 0 | 0 | 111.8 | ||
| 312 | A | 52.7 | Low | 48.2 | Very low | 101 Ų | 101 | 150.6 Ų | 150.6 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 133.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P310 | P310-A312 PolarHBondContact O-N 2.96Š|
| 313 | Q | 49.7 | Very low | 48.1 | Very low | 177 Ų | 177 | 152 Ų | 152 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 144.3 | 173.9 | -65.6 | -178.1 | 5.4 | 0 | 0 | 111.1 | R315 | Q313-R315 PolarHBondContact O-N 3.48Š|
| 314 | P | 44.6 | Very low | 48.3 | Very low | 127 Ų | 127 | 152 Ų | 152 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 125.6 | -179.3 | 24.7 | -31.2 | 0 | 0 | 0 | 110.7 | R316 | P314-R316 PolarHBondContact O-N 3.27Š|
| 315 | R | 42.8 | Very low | 48.5 | Very low | 235 Ų | 235 | 153.3 Ų | 153.3 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 121.9 | 177.7 | -72.5 | -173.6 | 168.5 | -153.7 | -2.4 | 110.3 | Q313 W317 | Q313-R315 PolarHBondContact O-N 3.48Å; R315-W317 PolarHBondContact O-N 2.86Å |
| 316 | R | 41 | Very low | 48.4 | Very low | 228 Ų | 228 | 150.6 Ų | 150.6 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -59.9 | 115.1 | 169.6 | -168 | 175.8 | -172.6 | -114.2 | 3 | 109.3 | P314 K318 | P314-R316 PolarHBondContact O-N 3.27Å; R316-K318 PolarHBondContact O-N 3.23Å | ||
| 317 | W | 41.6 | Very low | 48.3 | Very low | 253 Ų | 253 | 154.2 Ų | 154.2 | 96% | 0.958 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 117.5 | 176.3 | -75.9 | 50 | 0 | 0 | 0 | 109.2 | R315 | R315-W317 PolarHBondContact O-N 2.86Š|
| 318 | K | 41 | Very low | 47.7 | Very low | 191 Ų | 191 | 154.4 Ų | 154.4 | 83% | 0.83 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 122.5 | 166 | -73.3 | -152.1 | 178.8 | -165.4 | 0 | 108.1 | R316 G320 | R316-K318 PolarHBondContact O-N 3.23Å; K318-G320 PolarHBondContact O-N 2.91Å |
| 319 | A | 47.9 | Very low | 47 | Very low | 103 Ų | 103 | 164.2 Ų | 164.2 | 85% | 0.851 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 125.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 320 | G | 45.3 | Very low | 46.3 | Very low | 64 Ų | 64 | 166.5 Ų | 166.5 | 66% | 0.66 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 162.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | K318 | K318-G320 PolarHBondContact O-N 2.91Š|
| 321 | P | 44 | Very low | 45.6 | Very low | 137 Ų | 137 | 169.2 Ų | 169.2 | 89% | 0.89 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 145.5 | -171.9 | -0.1 | 16.9 | 0 | 0 | 0 | 112.1 | E323 | P321-E323 PolarHBondContact O-N 2.77Š|
| 322 | R | 48.9 | Very low | 45.1 | Very low | 242 Ų | 242 | 171.5 Ų | 171.5 | 91% | 0.913 | 87% | 0.873 | S | S | * | * | trans | -74.1 | 106.7 | -179.1 | -164.3 | 176 | 177.4 | -171.8 | -1.1 | 109.6 | ||||
| 323 | E | 43.4 | Very low | 44.6 | Very low | 196 Ų | 196 | 175.6 Ų | 175.6 | 92% | 0.916 | 88% | 0.876 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 130.7 | 169.9 | -94.1 | -174.3 | 137.2 | 0 | 0 | 110.4 | P321 | P321-E323 PolarHBondContact O-N 2.77Š|
| 324 | R | 45.9 | Very low | 44.3 | Very low | 244 Ų | 244 | 175.6 Ų | 175.6 | 92% | 0.921 | 88% | 0.879 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 131.3 | 176.6 | -69.6 | 179.7 | -162.8 | -132.8 | 1.8 | 109 | G326 | R324-G326 PolarHBondContact O-N 3.43Š|
| 325 | A | 44.2 | Very low | 44.3 | Very low | 102 Ų | 102 | 178.8 Ų | 178.8 | 84% | 0.843 | 88% | 0.882 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 124.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 326 | G | 44.8 | Very low | 44.4 | Very low | 79 Ų | 79 | 174.8 Ų | 174.8 | 81% | 0.814 | 88% | 0.882 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 116.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | R324 | R324-G326 PolarHBondContact O-N 3.43Š|
| 327 | Q | 46.7 | Very low | 44.7 | Very low | 191 Ų | 191 | 170.7 Ų | 170.7 | 89% | 0.893 | 88% | 0.883 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 140.9 | 171 | -88 | 169.1 | -8.5 | 0 | 0 | 111.6 | ||
| 328 | A | 43.7 | Very low | 44.9 | Very low | 94 Ų | 94 | 163.8 Ų | 163.8 | 78% | 0.777 | 88% | 0.877 | S | S | * | * | trans | 54.9 | 116.8 | 138.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 329 | R | 43.5 | Very low | 45.3 | Very low | 323 Ų | 323 | 161.4 Ų | 161.4 | 100% | 1.219 | 88% | 0.881 | S | S | * | * | -169.7 | 0 | 89.1 | -109.9 | -178 | 173.5 | -165.4 | -1.6 | 110.9 |
Retrieved 329 of 329 residues in 282.6 ms
(Link to these results)