| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.7 | Very low | 50.7 | Low | 239 Ų | 239 | 152.5 Ų | 152.5 | 100% | 1.177 | 82% | 0.824 | S | S | * | * | 0 | 130.5 | 0 | -66 | 176.6 | 177.9 | 0 | 0 | 107.6 | |||||
| 2 | T | 37.7 | Very low | 52.7 | Low | 141 Ų | 141 | 142.3 Ų | 142.3 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | -104.7 | 105.3 | -179 | 35.2 | 0 | 0 | 0 | 0 | 109.9 | K4 | T2-K4 PolarHBondContact O-N 3.47Š| ||
| 3 | L | 42.3 | Very low | 54.3 | Low | 172 Ų | 172 | 145.2 Ų | 145.2 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | trans | -77.2 | 112.1 | 176.6 | -64.1 | 177.5 | 0 | 0 | 0 | 109.4 | ||||
| 4 | K | 42.3 | Very low | 55.8 | Low | 182 Ų | 182 | 148.9 Ų | 148.9 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -80 | 125.4 | 163.9 | -71.4 | -176 | 176.2 | -175.1 | 0 | 108.8 | T2 | T2-K4 PolarHBondContact O-N 3.47Š| ||
| 5 | S | 51.1 | Low | 57.4 | Low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -105 | 89.2 | 167.9 | 56.3 | 0 | 0 | 0 | 0 | 109.1 | A7 | S5-A7 PolarHBondContact O-N 3.46Š| ||
| 6 | D | 48.6 | Very low | 59.1 | Low | 144 Ų | 144 | 140.9 Ų | 140.9 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | -71.3 | 93 | 178.4 | -69.1 | -51.6 | 0 | 0 | 0 | 110.5 | ||||
| 7 | A | 51.3 | Low | 60 | Low | 77 Ų | 77 | 136.6 Ų | 136.6 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | -74.4 | 133.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | S5 T9 | S5-A7 PolarHBondContact O-N 3.46Å; A7-T9 PolarHBondContact O-N 3.02Å | ||
| 8 | P | 54.6 | Low | 61 | Low | 134 Ų | 134 | 136.8 Ų | 136.8 | 87% | 0.87 | 73% | 0.725 | S | S | * | * | trans | -70.8 | 98.6 | 179.8 | 28.4 | -34.1 | 0 | 0 | 0 | 110.9 | F10 | P8-F10 PolarHBondContact O-N 3.15Š| ||
| 9 | T | 61.5 | Low | 61.9 | Low | 109 Ų | 109 | 133.5 Ų | 133.5 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | trans | -72.4 | 118.6 | 178.7 | 39.5 | 0 | 0 | 0 | 0 | 111.4 | A7 K11 | A7-T9 PolarHBondContact O-N 3.02Å; T9-K11 PolarHBondContact O-N 3.5Å | ||
| 10 | F | 65.1 | Low | 62.7 | Low | 187 Ų | 187 | 130.4 Ų | 130.4 | 82% | 0.82 | 69% | 0.693 | S | S | * | * | trans | -68.8 | 101.3 | 176 | 177.5 | -100.4 | 0 | 0 | 0 | 110.8 | P8 S12 | P8-F10 PolarHBondContact O-N 3.15Å; F10-S12 PolarHBondContact O-N 3.06Å | ||
| 11 | K | 66.4 | Low | 63.3 | Low | 179 Ų | 179 | 132.4 Ų | 132.4 | 78% | 0.778 | 69% | 0.691 | S | S | * | * | trans | -86.2 | 89.2 | 177.8 | -68 | -179 | -178.2 | 179.6 | 0 | 110.5 | T9 Q13 | T9-K11 PolarHBondContact O-N 3.5Å; K11-Q13 PolarHBondContact O-N 2.79Å | ||
| 12 | S | 74.8 | Confident | 65.1 | Low | 30 Ų | 30 | 126.6 Ų | 126.6 | 21% | 0.21 | 66% | 0.664 | C | S | . | * | trans | -58.9 | 131.1 | 168.4 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | F10 Y14 | F10-S12 PolarHBondContact O-N 3.06Å; S12-Y14 PolarHBondContact O-N 3.25Å; S12-Y14 PolarHBondContact OG-N 3.33Å | ||
| 13 | Q | 73.9 | Confident | 66.6 | Low | 180 Ų | 180 | 128.4 Ų | 128.4 | 84% | 0.841 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -12.6 | 174.1 | -64.9 | -177.7 | -0.7 | 0 | 0 | 113 | K11 | K11-Q13 PolarHBondContact O-N 2.79Š|
| 14 | Y | 75.5 | Confident | 68 | Low | 197 Ų | 197 | 124 Ų | 124 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -8.7 | -175 | -52.5 | -72.8 | 0 | 0 | 0 | 113.7 | S12 | S12-Y14 PolarHBondContact O-N 3.25Å; S12-Y14 PolarHBondContact OG-N 3.33Å |
| 15 | I | 79.9 | Confident | 69 | Low | 106 Ų | 106 | 123 Ų | 123 | 54% | 0.544 | 64% | 0.642 | S | S | . | * | trans | -104.3 | 96.8 | 179.1 | -60.8 | 174.6 | 0 | 0 | 0 | 107.7 | V20 | I15-V20 HydrophobicContact CG2-CG2 3.54Š| ||
| 16 | T | 83.8 | Confident | 68.8 | Low | 64 Ų | 64 | 122.9 Ų | 122.9 | 39% | 0.393 | 64% | 0.642 | S | S | . | * | trans | -75.5 | 158 | 176.7 | 69.2 | 0 | 0 | 0 | 0 | 111.1 | E18 L19 V20 | T16-E18 PolarHBondContact O-N 3.3Å; T16-E18 VanDerWaalsContact O-N 3.12Å; T16-L19 PolarHBondContact O-N 2.94Å; T16-L19 PolarHBondContact OG1-N 3.05Å; T16-V20 PolarHBondContact O-N 2.98Å; T16-V20 VanDerWaalsContact O-N 3.14Å | ||
| 17 | A | 74.9 | Confident | 69.1 | Low | 68 Ų | 68 | 123.8 Ų | 123.8 | 56% | 0.562 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.7 | -6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | R21 | A17-R21 WeakPolarHBondContact O-CG 3.17Å; A17-R21 PolarHBondContact O-NE 2.62Å; A17-R21 VanDerWaalsContact O-NE 3.15Å |
| 18 | E | 77 | Confident | 69.2 | Low | 141 Ų | 141 | 124.5 Ų | 124.5 | 66% | 0.659 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -86.7 | -47.3 | 170.6 | -64.6 | 176.1 | 137.5 | 0 | 0 | 110.7 | T16 V20 R21 L22 | T16-E18 PolarHBondContact O-N 3.3Å; T16-E18 VanDerWaalsContact O-N 3.12Å; E18-V20 PolarHBondContact O-N 3.04Å; E18-R21 WeakPolarHBondContact O-CB 3.49Å; E18-R21 PolarHBondContact O-N 3.17Å; E18-L22 PolarHBondContact O-N 3.11Å |
| 19 | L | 78.1 | Confident | 69.2 | Low | 74 Ų | 74 | 127.3 Ų | 127.3 | 39% | 0.387 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -57.3 | -40 | 174.1 | -69.9 | 172.7 | 0 | 0 | 0 | 111.4 | T16 R21 L22 F23 | T16-L19 PolarHBondContact O-N 2.94Å; T16-L19 PolarHBondContact OG1-N 3.05Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.31Å; L19-L22 HydrophobicContact CD2-CD1 4.48Å; L19-L22 PolarHBondContact O-N 3.4Å; L19-F23 HydrophobicContact CD2-CE2 4.44Å; L19-F23 VanDerWaalsContact O-CD2 3.29Å; L19-F23 WeakPolarHBondContact O-CD2 3.26Å; L19-F23 PolarHBondContact O-N 2.96Å; L19-F23 VanDerWaalsContact O-N 3.11Å |
| 20 | V | 78.8 | Confident | 68.8 | Low | 71 Ų | 71 | 130.5 Ų | 130.5 | 43% | 0.43 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -60.3 | -40.8 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | I15 T16 E18 S24 | I15-V20 HydrophobicContact CG2-CG2 3.54Å; T16-V20 PolarHBondContact O-N 2.98Å; T16-V20 VanDerWaalsContact O-N 3.14Å; E18-V20 PolarHBondContact O-N 3.04Å; V20-S24 WeakPolarHBondContact O-CB 3.37Å; V20-S24 PolarHBondContact O-N 3.24Å; V20-S24 PolarHBondContact O-OG 3.12Å |
| 21 | R | 74.3 | Confident | 68.3 | Low | 173 Ų | 173 | 130.5 Ų | 130.5 | 65% | 0.653 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.2 | -45.3 | 178.3 | -69.3 | 177.1 | -141.2 | -165 | 2.5 | 111.9 | A17 E18 L19 F23 S24 Q25 | A17-R21 WeakPolarHBondContact O-CG 3.17Å; A17-R21 PolarHBondContact O-NE 2.62Å; A17-R21 VanDerWaalsContact O-NE 3.15Å; E18-R21 WeakPolarHBondContact O-CB 3.49Å; E18-R21 PolarHBondContact O-N 3.17Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.31Å; R21-F23 PolarHBondContact O-N 2.96Å; R21-S24 PolarHBondContact O-N 3.15Å; R21-Q25 PolarHBondContact O-N 3.14Å |
| 22 | L | 75.8 | Confident | 67.3 | Low | 116 Ų | 116 | 130.3 Ų | 130.3 | 61% | 0.607 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -56.8 | -39.1 | 178.6 | -71.9 | 166.9 | 0 | 0 | 0 | 112 | E18 L19 | E18-L22 PolarHBondContact O-N 3.11Å; L19-L22 HydrophobicContact CD2-CD1 4.48Å; L19-L22 PolarHBondContact O-N 3.4Å |
| 23 | F | 68.9 | Low | 66.2 | Low | 179 Ų | 179 | 137.5 Ų | 137.5 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 10.4 | 177.2 | -63.8 | -67.8 | 0 | 0 | 0 | 114.6 | L19 R21 | L19-F23 HydrophobicContact CD2-CE2 4.44Å; L19-F23 VanDerWaalsContact O-CD2 3.29Å; L19-F23 WeakPolarHBondContact O-CD2 3.26Å; L19-F23 PolarHBondContact O-N 2.96Å; L19-F23 VanDerWaalsContact O-N 3.11Å; R21-F23 PolarHBondContact O-N 2.96Å |
| 24 | S | 71.8 | Confident | 65.1 | Low | 81 Ų | 81 | 131.7 Ų | 131.7 | 57% | 0.566 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | -0.4 | 172.8 | -55.9 | 0 | 0 | 0 | 0 | 113.5 | V20 R21 S26 | V20-S24 WeakPolarHBondContact O-CB 3.37Å; V20-S24 PolarHBondContact O-N 3.24Å; V20-S24 PolarHBondContact O-OG 3.12Å; R21-S24 PolarHBondContact O-N 3.15Å; S24-S26 PolarHBondContact O-N 3.22Å |
| 25 | Q | 62.4 | Low | 63.1 | Low | 159 Ų | 159 | 131.6 Ų | 131.6 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -77.2 | 105.4 | 163.6 | -72.9 | 177.9 | -9.2 | 0 | 0 | 107 | R21 | R21-Q25 PolarHBondContact O-N 3.14Š|
| 26 | S | 48.4 | Very low | 61.6 | Low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -65.3 | 139 | 177 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | S24 S28 | S24-S26 PolarHBondContact O-N 3.22Å; S26-S28 PolarHBondContact O-N 3.42Å | ||
| 27 | D | 54.4 | Low | 59.7 | Low | 163 Ų | 163 | 138.1 Ų | 138.1 | 87% | 0.872 | 72% | 0.717 | S | S | * | * | trans | -59.8 | 108.2 | 172.8 | -137.3 | -16.2 | 0 | 0 | 0 | 108.6 | E29 | D27-E29 PolarHBondContact O-N 2.97Š| ||
| 28 | S | 53.4 | Low | 57.9 | Low | 92 Ų | 92 | 141.8 Ų | 141.8 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | trans | -89.4 | 105.2 | 177 | 53.7 | 0 | 0 | 0 | 0 | 108.2 | S26 E30 | S26-S28 PolarHBondContact O-N 3.42Å; S28-E30 VanDerWaalsContact C-N 3.26Å; S28-E30 PolarHBondContact O-N 3.31Å | ||
| 29 | E | 54.9 | Low | 56.1 | Low | 193 Ų | 193 | 143.7 Ų | 143.7 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | trans | -65 | 79.7 | 179.9 | -60.5 | 178.1 | 166.2 | 0 | 0 | 110.7 | D27 E31 | D27-E29 PolarHBondContact O-N 2.97Å; E29-E31 PolarHBondContact O-N 2.74Å | ||
| 30 | E | 51.3 | Low | 54.2 | Low | 177 Ų | 177 | 144.2 Ų | 144.2 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | -71.7 | 122.7 | 170.3 | -70.6 | -165.7 | 152.9 | 0 | 0 | 109.6 | S28 F32 | S28-E30 VanDerWaalsContact C-N 3.26Å; S28-E30 PolarHBondContact O-N 3.31Å; E30-F32 PolarHBondContact O-N 3.3Å | ||
| 31 | E | 55.9 | Low | 52.4 | Low | 187 Ų | 187 | 148.6 Ų | 148.6 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -70.3 | 112.6 | -171.5 | -170.3 | 166.3 | -169.7 | 0 | 0 | 110.8 | E29 E33 | E29-E31 PolarHBondContact O-N 2.74Å; E31-E33 PolarHBondContact O-N 3.27Å | ||
| 32 | F | 46.1 | Very low | 50.7 | Low | 174 Ų | 174 | 148.6 Ų | 148.6 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | -75 | 93.8 | -177.2 | -177.3 | -96.5 | 0 | 0 | 0 | 111.1 | E30 G34 | E30-F32 PolarHBondContact O-N 3.3Å; F32-G34 PolarHBondContact O-N 3.21Å; F32-G34 VanDerWaalsContact O-N 3.15Å | ||
| 33 | E | 51.6 | Low | 48.8 | Very low | 181 Ų | 181 | 151.3 Ų | 151.3 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -61.9 | 112.2 | 169.9 | -68.8 | -169.4 | 136.6 | 0 | 0 | 110.3 | E31 | E31-E33 PolarHBondContact O-N 3.27Š| ||
| 34 | G | 49.4 | Very low | 47.1 | Very low | 58 Ų | 58 | 145.8 Ų | 145.8 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 141.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F32 S36 | F32-G34 PolarHBondContact O-N 3.21Å; F32-G34 VanDerWaalsContact O-N 3.15Å; G34-S36 PolarHBondContact O-N 3.44Å |
| 35 | F | 34.5 | Very low | 45.1 | Very low | 196 Ų | 196 | 145.5 Ų | 145.5 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 134.4 | 178.5 | -68.4 | -86 | 0 | 0 | 0 | 112.3 | ||
| 36 | S | 47.7 | Very low | 43.7 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 133.1 | 173.4 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | G34 | G34-S36 PolarHBondContact O-N 3.44Š|
| 37 | E | 43.9 | Very low | 42.9 | Very low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -97.2 | 96.4 | 177.5 | -178.6 | 175.5 | -141.6 | 0 | 0 | 110.2 | ||||
| 38 | D | 37.4 | Very low | 42.2 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -157 | 156.4 | 171.6 | -100.8 | -45.8 | 0 | 0 | 0 | 110.4 | ||||
| 39 | E | 39.2 | Very low | 41.4 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | 64.2 | 140.6 | -171.7 | -42.4 | -63 | 164.4 | 0 | 0 | 114.1 | ||||
| 40 | A | 38.8 | Very low | 40.6 | Very low | 85 Ų | 85 | 152.8 Ų | 152.8 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | cis | -172.1 | 159.2 | -7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 41 | E | 39.4 | Very low | 39.9 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | cis | -162.4 | -174.4 | -4.1 | -113.4 | -72.4 | -134.4 | 0 | 0 | 110.4 | ||||
| 42 | E | 39.8 | Very low | 38.9 | Very low | 172 Ų | 172 | 153.8 Ų | 153.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -21.5 | 137.7 | 176 | -60.1 | -174 | 136.8 | 0 | 0 | 122 | ||||
| 43 | D | 35 | Very low | 38.1 | Very low | 173 Ų | 173 | 150.7 Ų | 150.7 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | -173 | 161.8 | 112 | -172.2 | 21.2 | 0 | 0 | 0 | 111.1 | |||||
| 44 | G | 32.8 | Very low | 37.2 | Very low | 64 Ų | 64 | 151.4 Ų | 151.4 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | trans | 134 | -12.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 45 | G | 30.8 | Very low | 36.4 | Very low | 75 Ų | 75 | 155 Ų | 155 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 79 | 143.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 46 | C | 33.2 | Very low | 36.4 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | trans | 74.1 | 95.1 | 137.7 | -74.4 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 47 | F | 31.9 | Very low | 35.6 | Very low | 192 Ų | 192 | 153 Ų | 153 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | 59.4 | 155.4 | 134.6 | -51.8 | -65.2 | 0 | 0 | 0 | 121.1 | ||||
| 48 | Q | 38.9 | Very low | 35.1 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | cis | -139.2 | 138.1 | 14.1 | -67.1 | 178.5 | 17.9 | 0 | 0 | 114 | ||||
| 49 | K | 36.9 | Very low | 35.1 | Very low | 196 Ų | 196 | 151.7 Ų | 151.7 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | trans | 26.6 | 114.8 | 132.6 | -147.9 | 178.9 | -162.8 | 176.1 | 0 | 120.4 | ||||
| 50 | Q | 37.3 | Very low | 34.8 | Very low | 194 Ų | 194 | 146.5 Ų | 146.5 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | -166.6 | 155.7 | 116.4 | -108.4 | 174.5 | 79.1 | 0 | 0 | 113 | |||||
| 51 | Q | 36.4 | Very low | 34.7 | Very low | 189 Ų | 189 | 152 Ų | 152 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -116.5 | 131.5 | -177.1 | -65.1 | 172.5 | -23.7 | 0 | 0 | 111.1 | ||||
| 52 | K | 35 | Very low | 34.6 | Very low | 197 Ų | 197 | 148.6 Ų | 148.6 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -159.7 | 106 | 146.9 | -151.9 | 149 | -174.7 | 178.5 | 0 | 116 | ||||
| 53 | T | 31 | Very low | 34.8 | Very low | 108 Ų | 108 | 147.7 Ų | 147.7 | 66% | 0.663 | 81% | 0.808 | S | S | * | * | trans | 20.1 | 119.1 | 148.8 | 59.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 54 | K | 31.3 | Very low | 35.1 | Very low | 196 Ų | 196 | 147.8 Ų | 147.8 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | 78.1 | 150.8 | 124.8 | -71 | -169 | 173 | -170.9 | 0 | 122.4 | |||||
| 55 | V | 33.9 | Very low | 35.7 | Very low | 135 Ų | 135 | 151.4 Ų | 151.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 92.4 | 126.1 | 159.2 | -153 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 56 | V | 33.8 | Very low | 35.9 | Very low | 125 Ų | 125 | 154.7 Ų | 154.7 | 76% | 0.758 | 81% | 0.809 | S | S | * | * | trans | -64 | 171.4 | 167.6 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 57 | D | 30.4 | Very low | 36 | Very low | 143 Ų | 143 | 152.5 Ų | 152.5 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | cis | -144.3 | -169.4 | 17.6 | -150 | -30 | 0 | 0 | 0 | 111.1 | ||||
| 58 | S | 34.5 | Very low | 36.4 | Very low | 109 Ų | 109 | 151.6 Ų | 151.6 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -96.3 | 134.6 | -150.9 | -47 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 59 | E | 35.9 | Very low | 36.2 | Very low | 200 Ų | 200 | 152.3 Ų | 152.3 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | trans | -135.5 | 153.2 | 163.5 | -68.6 | -170.2 | -175.9 | 0 | 0 | 110.3 | ||||
| 60 | G | 34.5 | Very low | 37.1 | Very low | 72 Ų | 72 | 146.5 Ų | 146.5 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | 102 | 107 | 151.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 61 | E | 35.4 | Very low | 37.1 | Very low | 201 Ų | 201 | 145.4 Ų | 145.4 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | 20.6 | 130.1 | 139.3 | -56.2 | -178.2 | 139.9 | 0 | 0 | 121.9 | ||||
| 62 | S | 37.2 | Very low | 37.2 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | trans | -151.8 | 93.1 | 144.8 | 164.2 | 0 | 0 | 0 | 0 | 111.5 | K64 | S62-K64 PolarHBondContact OG-NZ 3.37Š| ||
| 63 | D | 44.6 | Very low | 37.6 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -71.9 | 133.4 | 167.4 | -177.2 | 15 | 0 | 0 | 0 | 111.4 | ||||
| 64 | K | 40.9 | Very low | 37.9 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | -153.2 | 96.2 | 170 | -69.7 | -166.1 | -176.1 | 66.1 | 0 | 111.4 | S62 | S62-K64 PolarHBondContact OG-NZ 3.37Š| ||
| 65 | D | 44.8 | Very low | 38.5 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -90.6 | 115.4 | 165.6 | 173.8 | 24.9 | 0 | 0 | 0 | 111.6 | ||||
| 66 | T | 36.6 | Very low | 38.5 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -149.5 | 95.8 | 154.6 | 50.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 67 | G | 35.2 | Very low | 39.2 | Very low | 63 Ų | 63 | 139.1 Ų | 139.1 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | trans | -101.8 | 170.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 68 | F | 39.6 | Very low | 39.8 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | 63.1 | 116.6 | 143.3 | -164.7 | -86.6 | 0 | 0 | 0 | 120.2 | S70 | F68-S70 WeakPolarHBondContact CZ-OG 3.29Š| ||
| 69 | Y | 34.8 | Very low | 40.2 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | trans | -152.7 | 163.3 | 134.4 | -126 | -86.2 | 0 | 0 | 0 | 111.5 | ||||
| 70 | S | 56.3 | Low | 40.8 | Very low | 75 Ų | 75 | 144.9 Ų | 144.9 | 52% | 0.524 | 78% | 0.777 | S | S | . | * | trans | -130.8 | 157.2 | -177.4 | -43.4 | 0 | 0 | 0 | 0 | 111.2 | F68 | F68-S70 WeakPolarHBondContact CZ-OG 3.29Š| ||
| 71 | D | 36.6 | Very low | 41.3 | Very low | 170 Ų | 170 | 151.5 Ų | 151.5 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -172.3 | 169.5 | 146.7 | -107.3 | -26.4 | 0 | 0 | 0 | 109 | ||||
| 72 | G | 39.4 | Very low | 41.9 | Very low | 61 Ų | 61 | 147.2 Ų | 147.2 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | cis | -148.2 | -170.3 | -2.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 73 | E | 41.9 | Very low | 42.7 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | cis | -143.1 | 170.4 | 13.4 | -53.3 | -177.3 | 115.6 | 0 | 0 | 108.2 | ||||
| 74 | E | 37.3 | Very low | 42.9 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | cis | -162.8 | -178.8 | -10.5 | -127.1 | -139.2 | 141.3 | 0 | 0 | 106.6 | ||||
| 75 | P | 45.5 | Very low | 43.8 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 62% | 0.617 | 78% | 0.777 | S | S | * | * | -123.3 | 158.7 | -58.2 | 32.7 | -16.3 | 0 | 0 | 0 | 113.5 | |||||
| 76 | P | 33.8 | Very low | 44 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -138.7 | 149.3 | 151.4 | 35.6 | -21 | 0 | 0 | 0 | 115.7 | ||||
| 77 | E | 47.5 | Very low | 44.7 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -55.5 | 155 | -169.4 | -84.5 | -168.5 | -175.2 | 0 | 0 | 118.6 | K79 | E77-K79 PolarHBondContact O-N 2.95Š| ||
| 78 | P | 44.3 | Very low | 45.5 | Very low | 126 Ų | 126 | 153.8 Ų | 153.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -71.5 | 98.6 | -164.9 | 28.2 | -37.2 | 0 | 0 | 0 | 115.1 | R80 | P78-R80 PolarHBondContact O-N 3.05Š| ||
| 79 | K | 41.2 | Very low | 45.8 | Very low | 199 Ų | 199 | 154.6 Ų | 154.6 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -73.9 | 107.1 | 168 | -72.6 | 169 | -175.2 | 160.4 | 0 | 110.8 | E77 R81 | E77-K79 PolarHBondContact O-N 2.95Å; K79-R81 PolarHBondContact O-N 3.47Å | ||
| 80 | R | 49.3 | Very low | 46.5 | Very low | 248 Ų | 248 | 151.1 Ų | 151.1 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -48.7 | 119.2 | 177.6 | -63.9 | 179 | 177.5 | -172 | -2.5 | 111.9 | P78 S82 | P78-R80 PolarHBondContact O-N 3.05Å; R80-S82 PolarHBondContact O-N 3.33Å | ||
| 81 | R | 44.5 | Very low | 46.1 | Very low | 212 Ų | 212 | 150.9 Ų | 150.9 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -58.8 | 124.4 | 166.5 | -72.7 | -178.6 | 172.4 | 179 | -2.3 | 109 | K79 L83 | K79-R81 PolarHBondContact O-N 3.47Å; R81-L83 PolarHBondContact O-N 2.99Å | ||
| 82 | S | 49.4 | Very low | 46.5 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -68.4 | 112.8 | 176.5 | 58.9 | 0 | 0 | 0 | 0 | 110.4 | R80 L84 | R80-S82 PolarHBondContact O-N 3.33Å; S82-L84 PolarHBondContact O-N 3.17Å; S82-L84 VanDerWaalsContact O-N 3.13Å | ||
| 83 | L | 53.2 | Low | 46.6 | Very low | 155 Ų | 155 | 159.6 Ų | 159.6 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -62.3 | 112.7 | 174.2 | -63.9 | 172.5 | 0 | 0 | 0 | 110.5 | R81 V85 | R81-L83 PolarHBondContact O-N 2.99Å; L83-V85 HydrophobicContact CB-CG2 4.03Å; L83-V85 PolarHBondContact O-N 3.35Å | ||
| 84 | L | 49.4 | Very low | 46.8 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -74.9 | 73.3 | 168.1 | -83.1 | 169.4 | 0 | 0 | 0 | 110.1 | S82 A86 | S82-L84 PolarHBondContact O-N 3.17Å; S82-L84 VanDerWaalsContact O-N 3.13Å; L84-A86 PolarHBondContact O-N 3.22Å | ||
| 85 | V | 58.4 | Low | 47 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 61% | 0.606 | 80% | 0.802 | S | S | * | * | trans | -68 | 104.6 | 173 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | L83 L87 | L83-V85 HydrophobicContact CB-CG2 4.03Å; L83-V85 PolarHBondContact O-N 3.35Å; V85-L87 VanDerWaalsContact C-N 3.32Å; V85-L87 HydrophobicContact CG1-CD2 4.04Å; V85-L87 HydrophobicContact CG1-CG 4.35Å; V85-L87 PolarHBondContact O-N 3.23Å | ||
| 86 | A | 48.9 | Very low | 46.7 | Very low | 96 Ų | 96 | 151.5 Ų | 151.5 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -67 | 90.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | L84 R88 | L84-A86 PolarHBondContact O-N 3.22Å; A86-R88 PolarHBondContact O-N 2.88Å | ||
| 87 | L | 52.8 | Low | 47.1 | Very low | 137 Ų | 137 | 151 Ų | 151 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | trans | -63.9 | 94.6 | 177.7 | -73.1 | 174.6 | 0 | 0 | 0 | 110.5 | V85 F89 | V85-L87 VanDerWaalsContact C-N 3.32Å; V85-L87 HydrophobicContact CG1-CD2 4.04Å; V85-L87 HydrophobicContact CG1-CG 4.35Å; V85-L87 PolarHBondContact O-N 3.23Å; L87-F89 WeakPolarHBondContact O-CD2 3.42Å; L87-F89 PolarHBondContact O-N 3.04Å | ||
| 88 | R | 50.8 | Low | 46.9 | Very low | 242 Ų | 242 | 148.4 Ų | 148.4 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -68.6 | 92.9 | 179.7 | -166.2 | 175 | -169.5 | 164.5 | 3 | 109.7 | A86 | A86-R88 PolarHBondContact O-N 2.88Š| ||
| 89 | F | 46.9 | Very low | 46.3 | Very low | 190 Ų | 190 | 152.3 Ų | 152.3 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | trans | -51.6 | 127.2 | 179.9 | -69.2 | -83.3 | 0 | 0 | 0 | 111.3 | L87 G91 | L87-F89 WeakPolarHBondContact O-CD2 3.42Å; L87-F89 PolarHBondContact O-N 3.04Å; F89-G91 PolarHBondContact O-N 3.07Å; F89-G91 VanDerWaalsContact O-N 3.14Å | ||
| 90 | P | 50.2 | Low | 45.9 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -68.6 | 114.7 | 179.9 | 26.3 | -33.1 | 0 | 0 | 0 | 110.1 | K92 | P90-K92 PolarHBondContact O-N 2.81Š| ||
| 91 | G | 46.8 | Very low | 45.3 | Very low | 71 Ų | 71 | 147.5 Ų | 147.5 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | -60 | 122.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | F89 K93 | F89-G91 PolarHBondContact O-N 3.07Å; F89-G91 VanDerWaalsContact O-N 3.14Å; G91-K93 PolarHBondContact O-N 3.25Å | ||
| 92 | K | 45.9 | Very low | 44.6 | Very low | 208 Ų | 208 | 145.3 Ų | 145.3 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | trans | -65.9 | 104.2 | 177.8 | -70.6 | -173.7 | 177.4 | -177.5 | 0 | 109.9 | P90 G94 | P90-K92 PolarHBondContact O-N 2.81Å; K92-G94 PolarHBondContact O-N 3.47Å | ||
| 93 | K | 40.8 | Very low | 43.9 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 120.7 | 165 | -65.8 | -178 | 179.3 | -179.7 | 0 | 108.3 | G91 | G91-K93 PolarHBondContact O-N 3.25Š|
| 94 | G | 46.3 | Very low | 42.9 | Very low | 62 Ų | 62 | 153.8 Ų | 153.8 | 64% | 0.639 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 150.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K92 | K92-G94 PolarHBondContact O-N 3.47Š|
| 95 | P | 41.7 | Very low | 42.1 | Very low | 131 Ų | 131 | 153.2 Ų | 153.2 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142.9 | 174.2 | 28.2 | -34.2 | 0 | 0 | 0 | 110.7 | ||
| 96 | A | 39.4 | Very low | 40.7 | Very low | 90 Ų | 90 | 154.8 Ų | 154.8 | 74% | 0.744 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 144.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 97 | P | 42.1 | Very low | 39.8 | Very low | 117 Ų | 117 | 156.5 Ų | 156.5 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 143.3 | 174.4 | 29.8 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 98 | P | 41.9 | Very low | 38.7 | Very low | 122 Ų | 122 | 159 Ų | 159 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 143.3 | 174.3 | 28.7 | -34 | 0 | 0 | 0 | 111.1 | ||
| 99 | K | 32.9 | Very low | 38.3 | Very low | 207 Ų | 207 | 153.2 Ų | 153.2 | 90% | 0.9 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -61 | 135.8 | 172.6 | -62.6 | 175.5 | -179.1 | 176.7 | 0 | 109.6 | ||
| 100 | N | 32.5 | Very low | 37.5 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -136.7 | 145.8 | 164.3 | -129.5 | -23.1 | 0 | 0 | 0 | 110.5 | ||||
| 101 | Q | 36.1 | Very low | 36.5 | Very low | 182 Ų | 182 | 154.6 Ų | 154.6 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | -97.7 | 153 | -160.6 | -62.9 | 178.9 | 0.5 | 0 | 0 | 113.3 | K103 | Q101-K103 PolarHBondContact O-N 2.79Š| ||
| 102 | N | 30.6 | Very low | 35.5 | Very low | 166 Ų | 166 | 155 Ų | 155 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -61.2 | 124.8 | 174.9 | -73.6 | -34.6 | 0 | 0 | 0 | 112.3 | ||||
| 103 | K | 33.7 | Very low | 34.7 | Very low | 210 Ų | 210 | 148.9 Ų | 148.9 | 91% | 0.913 | 83% | 0.828 | S | S | * | * | trans | -137.1 | 130.1 | 142.7 | -71.3 | -164.9 | 177.4 | -179.2 | 0 | 110.2 | Q101 | Q101-K103 PolarHBondContact O-N 2.79Š| ||
| 104 | R | 33.2 | Very low | 34.1 | Very low | 233 Ų | 233 | 147 Ų | 147 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -79.8 | 155.4 | 168.2 | -67.8 | 172 | 166.7 | 173.1 | -6.1 | 109.2 | ||||
| 105 | N | 31.5 | Very low | 34.1 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | -176 | 176.9 | 118.7 | -90 | -8 | 0 | 0 | 0 | 112 | |||||
| 106 | V | 30.4 | Very low | 34.2 | Very low | 132 Ų | 132 | 147.7 Ų | 147.7 | 80% | 0.8 | 82% | 0.82 | S | S | * | * | trans | -114.3 | 152.5 | -159.9 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 107 | T | 29.7 | Very low | 33.8 | Very low | 132 Ų | 132 | 155.2 Ų | 155.2 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | 164.2 | 158.4 | 129.9 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 108 | K | 28.6 | Very low | 33.1 | Very low | 191 Ų | 191 | 161.9 Ų | 161.9 | 83% | 0.83 | 84% | 0.839 | S | S | * | * | trans | -107.8 | -159.7 | 179 | -41.1 | 173.9 | 178.8 | 173.3 | 0 | 109.6 | ||||
| 109 | P | 43.7 | Very low | 32.5 | Very low | 120 Ų | 120 | 159.9 Ų | 159.9 | 78% | 0.779 | 84% | 0.841 | S | S | * | * | cis | -128.4 | -171 | -39 | 28 | -6.3 | 0 | 0 | 0 | 112.7 | ||||
| 110 | A | 30.2 | Very low | 32.2 | Very low | 82 Ų | 82 | 162.4 Ų | 162.4 | 68% | 0.678 | 85% | 0.845 | S | S | * | * | 122.3 | 131.6 | 123.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 111 | R | 29 | Very low | 32 | Very low | 256 Ų | 256 | 158.5 Ų | 158.5 | 97% | 0.966 | 84% | 0.843 | S | S | * | * | trans | 60.6 | 153.6 | 157.5 | -62.4 | 175.8 | -179.3 | -168.2 | -0.8 | 117.2 | ||||
| 112 | G | 25.9 | Very low | 31.6 | Very low | 79 Ų | 79 | 160.6 Ų | 160.6 | 81% | 0.814 | 84% | 0.843 | S | S | * | * | cis | 159.7 | 159 | -6.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 113 | G | 28.1 | Very low | 32 | Very low | 81 Ų | 81 | 158.6 Ų | 158.6 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | trans | 138.5 | 145.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 114 | D | 27.7 | Very low | 31.7 | Very low | 165 Ų | 165 | 158 Ų | 158 | 88% | 0.882 | 83% | 0.831 | S | S | * | * | trans | -122.4 | 165.5 | -169.5 | -103.5 | -55 | 0 | 0 | 0 | 113.6 | ||||
| 115 | P | 46.2 | Very low | 31.4 | Very low | 103 Ų | 103 | 155.8 Ų | 155.8 | 67% | 0.669 | 83% | 0.828 | S | S | * | * | trans | -92.2 | -161 | 178.7 | 43.8 | -38.5 | 0 | 0 | 0 | 110.3 | ||||
| 116 | P | 45.4 | Very low | 31.3 | Very low | 105 Ų | 105 | 154.4 Ų | 154.4 | 68% | 0.682 | 83% | 0.826 | S | S | * | * | cis | -134.8 | -172 | -3.7 | 44.2 | -28.1 | 0 | 0 | 0 | 114.6 | ||||
| 117 | R | 30.7 | Very low | 31.2 | Very low | 249 Ų | 249 | 155.6 Ų | 155.6 | 94% | 0.94 | 83% | 0.827 | S | S | * | * | -172.3 | 165.7 | 126.1 | -100.3 | 157.9 | -164.1 | -112.4 | -1.8 | 115.3 | |||||
| 118 | R | 27.5 | Very low | 31 | Very low | 256 Ų | 256 | 160.8 Ų | 160.8 | 97% | 0.966 | 83% | 0.832 | S | S | * | * | trans | -99 | 145.8 | 179.5 | -63.3 | 172 | 173.5 | 170.4 | -3.5 | 110.8 | ||||
| 119 | G | 28.5 | Very low | 31 | Very low | 80 Ų | 80 | 158.7 Ų | 158.7 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -128.1 | 141.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 120 | R | 27.6 | Very low | 30.2 | Very low | 261 Ų | 261 | 159.2 Ų | 159.2 | 99% | 0.985 | 82% | 0.815 | S | S | * | * | trans | -102 | 143.6 | 173.2 | -76 | 178.4 | 167.3 | -175.7 | -3 | 109.5 | ||||
| 121 | G | 27.8 | Very low | 30.1 | Very low | 82 Ų | 82 | 164.7 Ų | 164.7 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | -173 | 122.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 122 | R | 28.2 | Very low | 30.1 | Very low | 226 Ų | 226 | 161.5 Ų | 161.5 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -157.4 | 118.1 | 165.1 | -175.3 | -176.6 | -174.1 | -157.3 | 5.3 | 109.4 | ||||
| 123 | P | 38.7 | Very low | 30.4 | Very low | 124 Ų | 124 | 167.2 Ų | 167.2 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | -135.2 | -172.7 | 118.2 | 19.9 | 0.7 | 0 | 0 | 0 | 111.6 | |||||
| 124 | R | 26.2 | Very low | 30.5 | Very low | 197 Ų | 197 | 172.8 Ų | 172.8 | 74% | 0.743 | 83% | 0.832 | S | S | * | * | 174.7 | 118.7 | -59.1 | 176.4 | -176.1 | -170.7 | -154.2 | 4.8 | 108 | |||||
| 125 | K | 28.1 | Very low | 30.7 | Very low | 187 Ų | 187 | 174 Ų | 174 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | 67.5 | 155.1 | -176.5 | -66.6 | -174.7 | 170.9 | -168.6 | 0 | 112.3 | ||||
| 126 | V | 29.1 | Very low | 30.2 | Very low | 135 Ų | 135 | 177.9 Ų | 177.9 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | cis | -140.4 | 159.1 | 42.1 | 160.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 127 | N | 27.3 | Very low | 29.6 | Very low | 156 Ų | 156 | 181 Ų | 181 | 83% | 0.834 | 85% | 0.847 | S | S | * | * | trans | -85.8 | 143.8 | 169.4 | -74.1 | 16.7 | 0 | 0 | 0 | 111.2 | ||||
| 128 | R | 27.2 | Very low | 29.9 | Very low | 242 Ų | 242 | 178 Ų | 178 | 91% | 0.913 | 84% | 0.841 | S | S | * | * | trans | -147 | 135 | 143.9 | -128.8 | 180 | 73.6 | -175.6 | 2.1 | 112 | ||||
| 129 | K | 27.1 | Very low | 30 | Very low | 146 Ų | 146 | 170.2 Ų | 170.2 | 64% | 0.635 | 82% | 0.822 | S | S | * | * | trans | -67.6 | 166.8 | 150.3 | -78.3 | 162.3 | 147.5 | -85.6 | 0 | 108.6 | ||||
| 130 | E | 27.8 | Very low | 30.5 | Very low | 131 Ų | 131 | 172.9 Ų | 172.9 | 61% | 0.612 | 82% | 0.822 | S | S | * | * | cis | -157.9 | 168.8 | -10.9 | -113.9 | 151.2 | 173 | 0 | 0 | 105.4 | ||||
| 131 | E | 28.9 | Very low | 30.8 | Very low | 197 Ų | 197 | 166 Ų | 166 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | 158.6 | 157 | 142.6 | -86.6 | 149.9 | -151.4 | 0 | 0 | 111 | ||||
| 132 | E | 28.6 | Very low | 31.1 | Very low | 189 Ų | 189 | 171.1 Ų | 171.1 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -118.2 | 135.7 | -170.2 | -60.9 | 169.7 | 132.2 | 0 | 0 | 109.1 | ||||
| 133 | E | 31 | Very low | 31.6 | Very low | 200 Ų | 200 | 167 Ų | 167 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | trans | -132.5 | 135.3 | 161 | -71.6 | -168.6 | 138.3 | 0 | 0 | 108.8 | ||||
| 134 | E | 31 | Very low | 31.6 | Very low | 197 Ų | 197 | 170.9 Ų | 170.9 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -94.5 | 123.7 | 179.5 | -62 | -176.3 | 127.4 | 0 | 0 | 110.3 | ||||
| 135 | E | 32.5 | Very low | 32.6 | Very low | 191 Ų | 191 | 168 Ų | 168 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -124 | 119 | 162.5 | -73.1 | -158.3 | 129.4 | 0 | 0 | 110.9 | E137 | E135-E137 PolarHBondContact O-N 2.82Š| ||
| 136 | E | 35.5 | Very low | 33.6 | Very low | 185 Ų | 185 | 165.1 Ų | 165.1 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -78.3 | 75.1 | -179.8 | -68.5 | -161.4 | 134.5 | 0 | 0 | 113 | K138 | E136-K138 PolarHBondContact O-N 3.12Å; E136-K138 VanDerWaalsContact O-N 3.11Å | ||
| 137 | E | 32.1 | Very low | 34.6 | Very low | 169 Ų | 169 | 164 Ų | 164 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -75 | 104.2 | 171.5 | -159.3 | -174 | -171.5 | 0 | 0 | 112.1 | E135 V139 | E135-E137 PolarHBondContact O-N 2.82Å; E137-V139 VanDerWaalsContact C-N 3.26Å; E137-V139 HydrophobicContact CB-CG2 4.45Å; E137-V139 HydrophobicContact CG-CG2 3.91Å; E137-V139 PolarHBondContact O-N 2.99Å | ||
| 138 | K | 36.3 | Very low | 35.8 | Very low | 188 Ų | 188 | 163 Ų | 163 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | trans | -69.3 | 71.2 | 173.4 | -81.4 | -176.5 | 175.6 | 168.3 | 0 | 113.4 | E136 V140 | E136-K138 PolarHBondContact O-N 3.12Å; E136-K138 VanDerWaalsContact O-N 3.11Å; K138-V140 PolarHBondContact O-N 3.16Å | ||
| 139 | V | 29.8 | Very low | 37.6 | Very low | 92 Ų | 92 | 154.7 Ų | 154.7 | 56% | 0.558 | 75% | 0.752 | S | S | * | * | trans | -78 | 108.3 | 170.8 | -174 | 0 | 0 | 0 | 0 | 110.4 | E137 V141 | E137-V139 VanDerWaalsContact C-N 3.26Å; E137-V139 HydrophobicContact CB-CG2 4.45Å; E137-V139 HydrophobicContact CG-CG2 3.91Å; E137-V139 PolarHBondContact O-N 2.99Å; V139-V141 VanDerWaalsContact C-N 3.28Å; V139-V141 HydrophobicContact CG1-CG2 3.97Å; V139-V141 PolarHBondContact O-N 2.98Å | ||
| 140 | V | 40.6 | Very low | 40 | Very low | 135 Ų | 135 | 151.3 Ų | 151.3 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -73.3 | 78.7 | 177.5 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | K138 K142 | K138-V140 PolarHBondContact O-N 3.16Å; V140-K142 PolarHBondContact O-N 3.09Å; V140-K142 VanDerWaalsContact O-N 3.14Å | ||
| 141 | V | 32.2 | Very low | 42.4 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 70% | 0.703 | 73% | 0.733 | S | S | * | * | trans | -71.7 | 105.6 | 174.5 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | V139 E143 | V139-V141 VanDerWaalsContact C-N 3.28Å; V139-V141 HydrophobicContact CG1-CG2 3.97Å; V139-V141 PolarHBondContact O-N 2.98Å; V141-E143 PolarHBondContact O-N 2.9Å | ||
| 142 | K | 35.8 | Very low | 45 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | trans | -55.7 | 109.3 | 171.9 | -81.3 | 177.9 | 173.5 | 171.5 | 0 | 110.5 | V140 K144 | V140-K142 PolarHBondContact O-N 3.09Å; V140-K142 VanDerWaalsContact O-N 3.14Å; K142-K144 PolarHBondContact O-N 3.38Å | ||
| 143 | E | 37.4 | Very low | 48 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 66% | 0.659 | 70% | 0.695 | S | S | * | * | trans | -62.4 | 93.5 | 174.5 | -71.9 | -165.8 | 118.8 | 0 | 0 | 111.7 | V141 K145 | V141-E143 PolarHBondContact O-N 2.9Å; E143-K145 HydrophobicContact CB-CD 4.43Å; E143-K145 HydrophobicContact CB-CG 4.33Å; E143-K145 VanDerWaalsContact CD-CE 3.47Å; E143-K145 PolarHBondContact O-N 3.44Å; E143-K145 WeakPolarHBondContact OE1-CE 3.34Å; E143-K145 IonicContact OE1-NZ 2.78Å; E143-K145 PolarHBondContact OE1-NZ 3.05Å; E143-K145 WeakPolarHBondContact OE2-CE 3.22Å; E143-K145 IonicContact OE2-NZ 2.69Å; E143-K145 PolarHBondContact OE2-NZ 3Å | ||
| 144 | K | 38.3 | Very low | 50.8 | Low | 205 Ų | 205 | 135.4 Ų | 135.4 | 89% | 0.891 | 68% | 0.675 | S | S | * | * | trans | -75.2 | 70.8 | 155.5 | -73.1 | -173 | 175.2 | -179.6 | 0 | 109 | K142 | K142-K144 PolarHBondContact O-N 3.38Š| ||
| 145 | K | 47.5 | Very low | 53.6 | Low | 136 Ų | 136 | 133.9 Ų | 133.9 | 59% | 0.591 | 66% | 0.661 | S | S | * | * | trans | -60.8 | 160.3 | 164.6 | -89.3 | 166.2 | 169.9 | 152.1 | 0 | 109.9 | E143 | E143-K145 HydrophobicContact CB-CD 4.43Å; E143-K145 HydrophobicContact CB-CG 4.33Å; E143-K145 VanDerWaalsContact CD-CE 3.47Å; E143-K145 PolarHBondContact O-N 3.44Å; E143-K145 WeakPolarHBondContact OE1-CE 3.34Å; E143-K145 IonicContact OE1-NZ 2.78Å; E143-K145 PolarHBondContact OE1-NZ 3.05Å; E143-K145 WeakPolarHBondContact OE2-CE 3.22Å; E143-K145 IonicContact OE2-NZ 2.69Å; E143-K145 PolarHBondContact OE2-NZ 3Å | ||
| 146 | E | 48.9 | Very low | 56.6 | Low | 126 Ų | 126 | 128.5 Ų | 128.5 | 59% | 0.589 | 64% | 0.638 | S | S | * | * | trans | 74.4 | 141.9 | -176.7 | -44.9 | -153 | 127.1 | 0 | 0 | 114.7 | Q150 | E146-Q150 WeakPolarHBondContact OE1-CG 3.35Å; E146-Q150 PolarHBondContact OE1-NE2 2.87Å; E146-Q150 PolarHBondContact OE2-NE2 3.47Å | ||
| 147 | P | 51.7 | Low | 59.4 | Low | 111 Ų | 111 | 127.1 Ų | 127.1 | 72% | 0.721 | 63% | 0.625 | S | S | * | * | S | Bend | cis | -104 | -11.9 | 15 | 37.9 | -33.7 | 0 | 0 | 0 | 116.1 | C149 Q150 | P147-C149 VanDerWaalsContact C-N 3.27Å; P147-C149 PolarHBondContact O-N 3.02Å; P147-Q150 PolarHBondContact O-N 3Å |
| 148 | L | 52 | Low | 62.4 | Low | 137 Ų | 137 | 123.2 Ų | 123.2 | 72% | 0.717 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -58.6 | -36.6 | -171.3 | -164 | 78.4 | 0 | 0 | 0 | 113.1 | Q150 S151 | L148-Q150 PolarHBondContact O-N 3.42Å; L148-S151 PolarHBondContact O-N 3.26Å; L148-S151 PolarHBondContact O-OG 3.37Å |
| 149 | C | 65.3 | Low | 65.2 | Low | 66 Ų | 66 | 117.2 Ų | 117.2 | 45% | 0.446 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.7 | -35.6 | -177.4 | -160.5 | 0 | 0 | 0 | 0 | 113 | P147 S151 L152 I153 | P147-C149 VanDerWaalsContact C-N 3.27Å; P147-C149 PolarHBondContact O-N 3.02Å; C149-S151 VanDerWaalsContact C-N 3.31Å; C149-S151 PolarHBondContact O-N 3.16Å; C149-L152 PolarHBondContact O-N 3.22Å; C149-I153 WeakPolarHBondContact O-CG1 3.48Å; C149-I153 PolarHBondContact O-N 3.3Å |
| 150 | Q | 77.3 | Confident | 68.3 | Low | 75 Ų | 75 | 119 Ų | 119 | 35% | 0.35 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.3 | -33.1 | -177.6 | -76 | -160.4 | 17.1 | 0 | 0 | 113.4 | E146 P147 L148 K154 | E146-Q150 WeakPolarHBondContact OE1-CG 3.35Å; E146-Q150 PolarHBondContact OE1-NE2 2.87Å; E146-Q150 PolarHBondContact OE2-NE2 3.47Å; P147-Q150 PolarHBondContact O-N 3Å; L148-Q150 PolarHBondContact O-N 3.42Å; Q150-K154 WeakPolarHBondContact O-CB 3.37Å; Q150-K154 WeakPolarHBondContact O-CD 3.48Å; Q150-K154 WeakPolarHBondContact O-CG 3.29Å; Q150-K154 PolarHBondContact O-N 3.47Å |
| 151 | S | 76.8 | Confident | 70.9 | Confident | 71 Ų | 71 | 117 Ų | 117 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73.8 | -36.3 | -179.3 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | L148 C149 R155 | L148-S151 PolarHBondContact O-N 3.26Å; L148-S151 PolarHBondContact O-OG 3.37Å; C149-S151 VanDerWaalsContact C-N 3.31Å; C149-S151 PolarHBondContact O-N 3.16Å; S151-R155 WeakPolarHBondContact O-CB 3.48Å; S151-R155 PolarHBondContact O-N 3.22Å |
| 152 | L | 85.4 | Confident | 73.9 | Confident | 90 Ų | 90 | 115.8 Ų | 115.8 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.4 | -48.7 | 173.9 | -60.8 | 175.8 | 0 | 0 | 0 | 110.8 | C149 K154 R155 D156 | C149-L152 PolarHBondContact O-N 3.22Å; L152-K154 VanDerWaalsContact C-N 3.3Å; L152-K154 PolarHBondContact O-N 3.11Å; L152-R155 WeakPolarHBondContact O-CB 3.05Å; L152-R155 PolarHBondContact O-N 3.48Å; L152-D156 PolarHBondContact O-N 2.91Å |
| 153 | I | 90.1 | Very high | 76.8 | Confident | 103 Ų | 103 | 113.3 Ų | 113.3 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -55.7 | -44 | 175.1 | -67.9 | 165.8 | 0 | 0 | 0 | 111.5 | C149 D156 R157 | C149-I153 WeakPolarHBondContact O-CG1 3.48Å; C149-I153 PolarHBondContact O-N 3.3Å; I153-D156 PolarHBondContact O-N 3.48Å; I153-R157 VanDerWaalsContact O-CB 3.24Å; I153-R157 WeakPolarHBondContact O-CB 3.45Å; I153-R157 PolarHBondContact O-N 2.83Å |
| 154 | K | 89.6 | Confident | 79.5 | Confident | 119 Ų | 119 | 109 Ų | 109 | 52% | 0.517 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 176.3 | -73.1 | 166.6 | -170.4 | 167 | 0 | 112 | Q150 L152 N158 | Q150-K154 WeakPolarHBondContact O-CB 3.37Å; Q150-K154 WeakPolarHBondContact O-CD 3.48Å; Q150-K154 WeakPolarHBondContact O-CG 3.29Å; Q150-K154 PolarHBondContact O-N 3.47Å; L152-K154 VanDerWaalsContact C-N 3.3Å; L152-K154 PolarHBondContact O-N 3.11Å; K154-N158 WeakPolarHBondContact O-CB 3.49Å; K154-N158 PolarHBondContact O-N 3.01Å; K154-N158 PolarHBondContact O-OD1 3.13Å; K154-N158 VanDerWaalsContact O-OD1 3.08Å |
| 155 | R | 91.6 | Very high | 82.2 | Confident | 166 Ų | 166 | 104.4 Ų | 104.4 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.4 | -48.3 | 174.9 | 176.2 | -175 | 174.5 | 102.6 | 0.2 | 111.5 | S151 L152 N158 I159 | S151-R155 WeakPolarHBondContact O-CB 3.48Å; S151-R155 PolarHBondContact O-N 3.22Å; L152-R155 WeakPolarHBondContact O-CB 3.05Å; L152-R155 PolarHBondContact O-N 3.48Å; R155-N158 PolarHBondContact O-N 3.08Å; R155-I159 HydrophobicContact CG-CD1 3.89Å; R155-I159 VanDerWaalsContact O-CG1 3.3Å; R155-I159 WeakPolarHBondContact O-CG1 3.44Å; R155-I159 PolarHBondContact O-N 2.8Å |
| 156 | D | 94.4 | Very high | 84.5 | Confident | 78 Ų | 78 | 102.4 Ų | 102.4 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.9 | -36.6 | -175.8 | -66.5 | -29.4 | 0 | 0 | 0 | 111.6 | L152 I153 I159 Q160 | L152-D156 PolarHBondContact O-N 2.91Å; I153-D156 PolarHBondContact O-N 3.48Å; D156-I159 PolarHBondContact O-N 3.18Å; D156-Q160 VanDerWaalsContact O-CG 3.32Å; D156-Q160 WeakPolarHBondContact O-CG 3.49Å; D156-Q160 PolarHBondContact O-N 3.29Å |
| 157 | R | 94.6 | Very high | 86.6 | Confident | 155 Ų | 155 | 99.3 Ų | 99.3 | 59% | 0.585 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.3 | -50.2 | 168.6 | -179.1 | 172 | 175.7 | 151.2 | 6.9 | 111.8 | I153 I159 Q160 E161 | I153-R157 VanDerWaalsContact O-CB 3.24Å; I153-R157 WeakPolarHBondContact O-CB 3.45Å; I153-R157 PolarHBondContact O-N 2.83Å; R157-I159 VanDerWaalsContact C-N 3.25Å; R157-I159 PolarHBondContact O-N 3.47Å; R157-Q160 PolarHBondContact O-N 3.19Å; R157-Q160 VanDerWaalsContact O-N 3.08Å; R157-E161 HydrophobicContact CG-CG 4.39Å; R157-E161 WeakPolarHBondContact CG-OE1 3.41Å; R157-E161 IonicContact CZ-OE1 2.74Å; R157-E161 IonicContact NE-OE1 3.35Å; R157-E161 PolarHBondContact NE-OE1 2.96Å; R157-E161 IonicContact NH2-OE1 2.7Å; R157-E161 PolarHBondContact NH2-OE1 2.94Å; R157-E161 VanDerWaalsContact NH2-OE1 3.08Å; R157-E161 WeakPolarHBondContact O-CG 3.41Å; R157-E161 PolarHBondContact O-N 3.1Å |
| 158 | N | 94 | Very high | 88.5 | Confident | 88 Ų | 88 | 101.9 Ų | 101.9 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -34 | 176.6 | -68.2 | 9.8 | 0 | 0 | 0 | 112.1 | K154 R155 N162 | K154-N158 WeakPolarHBondContact O-CB 3.49Å; K154-N158 PolarHBondContact O-N 3.01Å; K154-N158 PolarHBondContact O-OD1 3.13Å; K154-N158 VanDerWaalsContact O-OD1 3.08Å; R155-N158 PolarHBondContact O-N 3.08Å; N158-N162 VanDerWaalsContact O-CB 3.3Å; N158-N162 WeakPolarHBondContact O-CB 3.32Å; N158-N162 VanDerWaalsContact O-CG 3.26Å; N158-N162 PolarHBondContact O-N 2.73Å; N158-N162 PolarHBondContact O-ND2 3.25Å |
| 159 | I | 96.3 | Very high | 90.5 | Very high | 61 Ų | 61 | 100.3 Ų | 100.3 | 31% | 0.313 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 174.3 | -71.6 | 166.2 | 0 | 0 | 0 | 111.2 | R155 D156 R157 K163 | R155-I159 HydrophobicContact CG-CD1 3.89Å; R155-I159 VanDerWaalsContact O-CG1 3.3Å; R155-I159 WeakPolarHBondContact O-CG1 3.44Å; R155-I159 PolarHBondContact O-N 2.8Å; D156-I159 PolarHBondContact O-N 3.18Å; R157-I159 VanDerWaalsContact C-N 3.25Å; R157-I159 PolarHBondContact O-N 3.47Å; I159-K163 HydrophobicContact CG2-CD 4.08Å; I159-K163 WeakPolarHBondContact O-CB 3.5Å; I159-K163 WeakPolarHBondContact O-CG 3.26Å; I159-K163 PolarHBondContact O-N 3.06Å |
| 160 | Q | 94.9 | Very high | 91.8 | Very high | 131 Ų | 131 | 103.4 Ų | 103.4 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.7 | -45.7 | 175.9 | -70.7 | 171.8 | 17.8 | 0 | 0 | 111.8 | D156 R157 N162 K163 A164 | D156-Q160 VanDerWaalsContact O-CG 3.32Å; D156-Q160 WeakPolarHBondContact O-CG 3.49Å; D156-Q160 PolarHBondContact O-N 3.29Å; R157-Q160 PolarHBondContact O-N 3.19Å; R157-Q160 VanDerWaalsContact O-N 3.08Å; Q160-N162 PolarHBondContact O-N 3.21Å; Q160-K163 PolarHBondContact O-N 3.28Å; Q160-A164 WeakPolarHBondContact O-CB 3.36Å; Q160-A164 PolarHBondContact O-N 2.8Å |
| 161 | E | 95.1 | Very high | 92.4 | Very high | 93 Ų | 93 | 102.7 Ų | 102.7 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 178.2 | -70.9 | 173.6 | 176.7 | 0 | 0 | 111.3 | R157 A164 M165 | R157-E161 HydrophobicContact CG-CG 4.39Å; R157-E161 WeakPolarHBondContact CG-OE1 3.41Å; R157-E161 IonicContact CZ-OE1 2.74Å; R157-E161 IonicContact NE-OE1 3.35Å; R157-E161 PolarHBondContact NE-OE1 2.96Å; R157-E161 IonicContact NH2-OE1 2.7Å; R157-E161 PolarHBondContact NH2-OE1 2.94Å; R157-E161 VanDerWaalsContact NH2-OE1 3.08Å; R157-E161 WeakPolarHBondContact O-CG 3.41Å; R157-E161 PolarHBondContact O-N 3.1Å; E161-A164 PolarHBondContact O-N 2.79Å; E161-M165 PolarHBondContact O-N 3.31Å |
| 162 | N | 94.8 | Very high | 92.8 | Very high | 90 Ų | 90 | 100.6 Ų | 100.6 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 173.1 | -76.3 | -36.4 | 0 | 0 | 0 | 113.2 | N158 Q160 M165 L166 | N158-N162 VanDerWaalsContact O-CB 3.3Å; N158-N162 WeakPolarHBondContact O-CB 3.32Å; N158-N162 VanDerWaalsContact O-CG 3.26Å; N158-N162 PolarHBondContact O-N 2.73Å; N158-N162 PolarHBondContact O-ND2 3.25Å; Q160-N162 PolarHBondContact O-N 3.21Å; N162-M165 PolarHBondContact O-N 3.04Å; N162-L166 PolarHBondContact O-N 3.06Å |
| 163 | K | 96 | Very high | 92.6 | Very high | 138 Ų | 138 | 101.6 Ų | 101.6 | 60% | 0.6 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 174 | -78.7 | 170.5 | 178.8 | 178.6 | 0 | 111.7 | I159 Q160 L166 A167 | I159-K163 HydrophobicContact CG2-CD 4.08Å; I159-K163 WeakPolarHBondContact O-CB 3.5Å; I159-K163 WeakPolarHBondContact O-CG 3.26Å; I159-K163 PolarHBondContact O-N 3.06Å; Q160-K163 PolarHBondContact O-N 3.28Å; K163-L166 PolarHBondContact O-N 2.95Å; K163-A167 WeakPolarHBondContact O-CB 3.3Å; K163-A167 PolarHBondContact O-N 2.92Å |
| 164 | A | 94.7 | Very high | 92.1 | Very high | 51 Ų | 51 | 100.7 Ų | 100.7 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q160 E161 A167 K168 | Q160-A164 WeakPolarHBondContact O-CB 3.36Å; Q160-A164 PolarHBondContact O-N 2.8Å; E161-A164 PolarHBondContact O-N 2.79Å; A164-A167 PolarHBondContact O-N 3.24Å; A164-K168 WeakPolarHBondContact O-CG 3.15Å; A164-K168 PolarHBondContact O-N 3.3Å |
| 165 | M | 95.3 | Very high | 91.4 | Very high | 108 Ų | 108 | 98 Ų | 98 | 53% | 0.532 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -50.2 | 172 | -172.1 | -160.9 | -59.1 | 0 | 0 | 111.3 | E161 N162 A167 K168 L169 | E161-M165 PolarHBondContact O-N 3.31Å; N162-M165 PolarHBondContact O-N 3.04Å; M165-A167 VanDerWaalsContact C-N 3.34Å; M165-A167 PolarHBondContact O-N 3.38Å; M165-K168 PolarHBondContact O-N 3.14Å; M165-L169 HydrophobicContact CG-CD1 4.4Å; M165-L169 WeakPolarHBondContact O-CG 3.34Å; M165-L169 PolarHBondContact O-N 2.96Å |
| 166 | L | 94.9 | Very high | 90.2 | Very high | 94 Ų | 94 | 95.4 Ų | 95.4 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 176.3 | -89.7 | 158 | 0 | 0 | 0 | 112.2 | N162 K163 K168 L169 F170 | N162-L166 PolarHBondContact O-N 3.06Å; K163-L166 PolarHBondContact O-N 2.95Å; L166-K168 VanDerWaalsContact C-N 3.35Å; L166-K168 PolarHBondContact O-N 2.74Å; L166-L169 PolarHBondContact O-N 3.09Å; L166-F170 HydrophobicContact CD2-CE2 3.98Å; L166-F170 WeakPolarHBondContact O-CD2 3.38Å; L166-F170 PolarHBondContact O-N 3.02Å |
| 167 | A | 93.4 | Very high | 88.7 | Confident | 60 Ų | 60 | 94.6 Ų | 94.6 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K163 A164 M165 F170 A171 | K163-A167 WeakPolarHBondContact O-CB 3.3Å; K163-A167 PolarHBondContact O-N 2.92Å; A164-A167 PolarHBondContact O-N 3.24Å; M165-A167 VanDerWaalsContact C-N 3.34Å; M165-A167 PolarHBondContact O-N 3.38Å; A167-F170 PolarHBondContact O-N 3.36Å; A167-A171 WeakPolarHBondContact O-CB 3.41Å; A167-A171 PolarHBondContact O-N 2.99Å |
| 168 | K | 92.1 | Very high | 86.9 | Confident | 165 Ų | 165 | 93.4 Ų | 93.4 | 72% | 0.717 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -41.2 | 173.8 | -74.1 | 179.8 | 177.5 | -173.2 | 0 | 112.4 | A164 M165 L166 A171 G172 | A164-K168 WeakPolarHBondContact O-CG 3.15Å; A164-K168 PolarHBondContact O-N 3.3Å; M165-K168 PolarHBondContact O-N 3.14Å; L166-K168 VanDerWaalsContact C-N 3.35Å; L166-K168 PolarHBondContact O-N 2.74Å; K168-A171 PolarHBondContact O-N 2.77Å; K168-G172 PolarHBondContact O-N 3.43Å |
| 169 | L | 93.3 | Very high | 85 | Confident | 105 Ų | 105 | 95.4 Ų | 95.4 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 176.1 | -68.6 | 171.6 | 0 | 0 | 0 | 111.8 | M165 L166 G172 L173 | M165-L169 HydrophobicContact CG-CD1 4.4Å; M165-L169 WeakPolarHBondContact O-CG 3.34Å; M165-L169 PolarHBondContact O-N 2.96Å; L166-L169 PolarHBondContact O-N 3.09Å; L169-G172 PolarHBondContact O-N 3.46Å; L169-L173 WeakPolarHBondContact O-CG 3.37Å; L169-L173 PolarHBondContact O-N 3.07Å |
| 170 | F | 92.9 | Very high | 82.7 | Confident | 130 Ų | 130 | 96.8 Ų | 96.8 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.7 | -40.7 | 174.5 | -78.3 | -61.6 | 0 | 0 | 0 | 112.6 | L166 A167 G172 L173 T174 | L166-F170 HydrophobicContact CD2-CE2 3.98Å; L166-F170 WeakPolarHBondContact O-CD2 3.38Å; L166-F170 PolarHBondContact O-N 3.02Å; A167-F170 PolarHBondContact O-N 3.36Å; F170-G172 VanDerWaalsContact C-N 3.34Å; F170-G172 PolarHBondContact O-N 3.1Å; F170-L173 HydrophobicContact CD1-CD1 4.42Å; F170-L173 PolarHBondContact O-N 3.2Å; F170-T174 PolarHBondContact O-N 2.88Å; F170-T174 PolarHBondContact O-OG1 3.24Å |
| 171 | A | 89.4 | Confident | 80.4 | Confident | 60 Ų | 60 | 96 Ų | 96 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A167 K168 T174 S175 | A167-A171 WeakPolarHBondContact O-CB 3.41Å; A167-A171 PolarHBondContact O-N 2.99Å; K168-A171 PolarHBondContact O-N 2.77Å; A171-T174 PolarHBondContact O-N 2.97Å; A171-S175 PolarHBondContact O-N 3.23Å; A171-S175 PolarHBondContact O-OG 2.89Å |
| 172 | G | 85.7 | Confident | 78 | Confident | 28 Ų | 28 | 98.5 Ų | 98.5 | 29% | 0.289 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.5 | -45.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K168 L169 F170 T174 S175 L176 | K168-G172 PolarHBondContact O-N 3.43Å; L169-G172 PolarHBondContact O-N 3.46Å; F170-G172 VanDerWaalsContact C-N 3.34Å; F170-G172 PolarHBondContact O-N 3.1Å; G172-T174 PolarHBondContact O-N 3.23Å; G172-S175 WeakPolarHBondContact CA-OG 3.28Å; G172-S175 PolarHBondContact O-N 2.89Å; G172-S175 PolarHBondContact O-OG 2.84Å; G172-L176 WeakPolarHBondContact O-CG 3.35Å; G172-L176 PolarHBondContact O-N 3.09Å |
| 173 | L | 82.3 | Confident | 75.6 | Confident | 111 Ų | 111 | 101.9 Ų | 101.9 | 58% | 0.581 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.6 | -38.6 | 175.7 | -69.9 | 171 | 0 | 0 | 0 | 112.7 | L169 F170 L176 A177 | L169-L173 WeakPolarHBondContact O-CG 3.37Å; L169-L173 PolarHBondContact O-N 3.07Å; F170-L173 HydrophobicContact CD1-CD1 4.42Å; F170-L173 PolarHBondContact O-N 3.2Å; L173-L176 PolarHBondContact O-N 2.85Å; L173-A177 PolarHBondContact O-N 2.82Å; L173-A177 VanDerWaalsContact O-N 3.16Å |
| 174 | T | 79.8 | Confident | 73.1 | Confident | 84 Ų | 84 | 100.4 Ų | 100.4 | 52% | 0.515 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.7 | -48.6 | 171.8 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | F170 A171 G172 L176 A177 D178 | F170-T174 PolarHBondContact O-N 2.88Å; F170-T174 PolarHBondContact O-OG1 3.24Å; A171-T174 PolarHBondContact O-N 2.97Å; G172-T174 PolarHBondContact O-N 3.23Å; T174-L176 PolarHBondContact O-N 3.29Å; T174-A177 WeakPolarHBondContact O-CB 3.28Å; T174-A177 PolarHBondContact O-N 3.15Å; T174-D178 PolarHBondContact O-N 2.68Å |
| 175 | S | 73.9 | Confident | 70.5 | Confident | 61 Ų | 61 | 104.1 Ų | 104.1 | 43% | 0.427 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64 | -22.5 | 179.8 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | A171 G172 L179 | A171-S175 PolarHBondContact O-N 3.23Å; A171-S175 PolarHBondContact O-OG 2.89Å; G172-S175 WeakPolarHBondContact CA-OG 3.28Å; G172-S175 PolarHBondContact O-N 2.89Å; G172-S175 PolarHBondContact O-OG 2.84Å; S175-L179 WeakPolarHBondContact O-CG 3.27Å |
| 176 | L | 66.1 | Low | 68 | Low | 112 Ų | 112 | 108.4 Ų | 108.4 | 59% | 0.586 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -80.8 | -29.5 | 171.9 | -70.5 | 171 | 0 | 0 | 0 | 112.6 | G172 L173 T174 L179 | G172-L176 WeakPolarHBondContact O-CG 3.35Å; G172-L176 PolarHBondContact O-N 3.09Å; L173-L176 PolarHBondContact O-N 2.85Å; T174-L176 PolarHBondContact O-N 3.29Å; L176-L179 PolarHBondContact O-N 3.34Å |
| 177 | A | 62.9 | Low | 65.2 | Low | 61 Ų | 61 | 113.8 Ų | 113.8 | 50% | 0.504 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71 | -34.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | L173 T174 L179 T180 | L173-A177 PolarHBondContact O-N 2.82Å; L173-A177 VanDerWaalsContact O-N 3.16Å; T174-A177 WeakPolarHBondContact O-CB 3.28Å; T174-A177 PolarHBondContact O-N 3.15Å; A177-L179 PolarHBondContact O-N 2.73Å; A177-T180 PolarHBondContact O-N 2.83Å; A177-T180 PolarHBondContact O-OG1 3.26Å |
| 178 | D | 57.2 | Low | 62.6 | Low | 130 Ų | 130 | 122.8 Ų | 122.8 | 70% | 0.695 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -14.2 | 174.6 | -64.6 | -35.4 | 0 | 0 | 0 | 113 | T174 | T174-D178 PolarHBondContact O-N 2.68Š|
| 179 | L | 53.6 | Low | 60.2 | Low | 130 Ų | 130 | 124.7 Ų | 124.7 | 68% | 0.681 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 13.9 | 177.6 | -70.1 | 174.7 | 0 | 0 | 0 | 114.2 | S175 L176 A177 P181 | S175-L179 WeakPolarHBondContact O-CG 3.27Å; L176-L179 PolarHBondContact O-N 3.34Å; A177-L179 PolarHBondContact O-N 2.73Å; L179-P181 WeakPolarHBondContact O-CD 3.21Å |
| 180 | T | 48.6 | Very low | 57.6 | Low | 90 Ų | 90 | 131.3 Ų | 131.3 | 55% | 0.552 | 68% | 0.683 | S | S | * | * | trans | -108.9 | 97.3 | 168 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | A177 L182 | A177-T180 PolarHBondContact O-N 2.83Å; A177-T180 PolarHBondContact O-OG1 3.26Å; T180-L182 PolarHBondContact O-N 3.09Å | ||
| 181 | P | 47.1 | Very low | 55.4 | Low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 70% | 0.696 | S | S | * | * | trans | -66.4 | 103.9 | 170.4 | -17.1 | 31.1 | 0 | 0 | 0 | 110 | L179 D183 | L179-P181 WeakPolarHBondContact O-CD 3.21Å; P181-D183 VanDerWaalsContact C-N 3.34Å; P181-D183 PolarHBondContact O-N 2.78Å | ||
| 182 | L | 44.8 | Very low | 53 | Low | 146 Ų | 146 | 134.8 Ų | 134.8 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | trans | -92.4 | 63.6 | -176.1 | -148.2 | 102.6 | 0 | 0 | 0 | 111.8 | T180 T184 | T180-L182 PolarHBondContact O-N 3.09Å; L182-T184 PolarHBondContact O-N 3.26Å | ||
| 183 | D | 44.7 | Very low | 51.4 | Low | 160 Ų | 160 | 142.7 Ų | 142.7 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | trans | -65.8 | 95 | 179.4 | -96.8 | -41.3 | 0 | 0 | 0 | 112.1 | P181 | P181-D183 VanDerWaalsContact C-N 3.34Å; P181-D183 PolarHBondContact O-N 2.78Å | ||
| 184 | T | 42 | Very low | 49.3 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | trans | -137 | 132.8 | 162.6 | 50.2 | 0 | 0 | 0 | 0 | 110.2 | L182 | L182-T184 PolarHBondContact O-N 3.26Š| ||
| 185 | P | 40.6 | Very low | 47.7 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -76.7 | 142.2 | -165.5 | 28.8 | -35.6 | 0 | 0 | 0 | 113.7 | K187 | P185-K187 PolarHBondContact O-N 3.37Š| ||
| 186 | Q | 43.2 | Very low | 46.1 | Very low | 197 Ų | 197 | 151 Ų | 151 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -63.6 | 130.3 | -178.8 | -59.2 | -175.2 | 9.9 | 0 | 0 | 112.6 | ||||
| 187 | K | 35.8 | Very low | 44.8 | Very low | 208 Ų | 208 | 151.5 Ų | 151.5 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | -109.7 | 144 | 160.3 | -83.7 | -176.9 | 175.7 | 174.5 | 0 | 111.3 | P185 | P185-K187 PolarHBondContact O-N 3.37Š| ||
| 188 | R | 39.4 | Very low | 43.9 | Very low | 248 Ų | 248 | 157.2 Ų | 157.2 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -70.3 | 147.6 | -160.2 | -63.8 | 177.9 | 177 | 177.5 | -2.1 | 113.2 | R190 | R188-R190 PolarHBondContact O-N 3.27Š| ||
| 189 | K | 41 | Very low | 43.1 | Very low | 205 Ų | 205 | 160.8 Ų | 160.8 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -52.8 | 131.1 | 173.7 | -66.1 | 174 | 179.3 | 172.5 | 0 | 111.2 | ||||
| 190 | R | 37.8 | Very low | 42.5 | Very low | 244 Ų | 244 | 164.8 Ų | 164.8 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -110.5 | 125.5 | 149.2 | -81.7 | -171 | 172.1 | -173.6 | -2.1 | 108.2 | R188 S192 | R188-R190 PolarHBondContact O-N 3.27Å; R190-S192 PolarHBondContact O-N 3.38Å | ||
| 191 | I | 47.2 | Very low | 42.1 | Very low | 166 Ų | 166 | 172.2 Ų | 172.2 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | -77 | 121.9 | 174.4 | -63.8 | 168.4 | 0 | 0 | 0 | 107.3 | ||||
| 192 | S | 40 | Very low | 41.6 | Very low | 98 Ų | 98 | 175.8 Ų | 175.8 | 69% | 0.685 | 84% | 0.838 | S | S | * | * | trans | -132.4 | 133.2 | 162.7 | 64.7 | 0 | 0 | 0 | 0 | 108.2 | R190 K194 | R190-S192 PolarHBondContact O-N 3.38Å; S192-K194 PolarHBondContact O-N 3.23Å | ||
| 193 | Q | 51.1 | Low | 41.5 | Very low | 193 Ų | 193 | 178 Ų | 178 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | trans | -75.4 | 110.5 | -175.2 | -68.3 | 174.3 | -12.7 | 0 | 0 | 109.7 | ||||
| 194 | K | 39.6 | Very low | 41.8 | Very low | 191 Ų | 191 | 176.7 Ų | 176.7 | 83% | 0.83 | 85% | 0.845 | S | S | * | * | trans | -126.8 | 117.7 | 158.6 | -74.3 | -169.4 | 175.2 | -178 | 0 | 108.5 | S192 S196 | S192-K194 PolarHBondContact O-N 3.23Å; K194-S196 PolarHBondContact O-N 3.36Å | ||
| 195 | V | 45.3 | Very low | 41.9 | Very low | 147 Ų | 147 | 178.3 Ų | 178.3 | 89% | 0.891 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 116 | -178 | 178.5 | 0 | 0 | 0 | 0 | 109 | ||
| 196 | S | 40.3 | Very low | 42.4 | Very low | 94 Ų | 94 | 178.9 Ų | 178.9 | 66% | 0.657 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 139.2 | 170.1 | 54 | 0 | 0 | 0 | 0 | 109.7 | K194 Q198 | K194-S196 PolarHBondContact O-N 3.36Å; S196-Q198 PolarHBondContact O-N 2.97Å; S196-Q198 VanDerWaalsContact O-N 3.16Å |
| 197 | P | 39.5 | Very low | 42.2 | Very low | 121 Ų | 121 | 172.8 Ų | 172.8 | 79% | 0.786 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 116.8 | 175.6 | 27.3 | -32.7 | 0 | 0 | 0 | 109.1 | K199 | P197-K199 PolarHBondContact O-N 3.23Å; P197-K199 VanDerWaalsContact O-N 3.11Å |
| 198 | Q | 42.9 | Very low | 43 | Very low | 182 Ų | 182 | 168.3 Ų | 168.3 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 119.4 | 174.4 | -76.7 | -175.2 | -19.3 | 0 | 0 | 110 | S196 R200 | S196-Q198 PolarHBondContact O-N 2.97Å; S196-Q198 VanDerWaalsContact O-N 3.16Å; Q198-R200 VanDerWaalsContact C-N 3.33Å; Q198-R200 PolarHBondContact O-N 3.13Å |
| 199 | K | 40 | Very low | 43.5 | Very low | 204 Ų | 204 | 162.6 Ų | 162.6 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -63 | 96.7 | 164 | -76.3 | -175.7 | 177.1 | 178.6 | 0 | 108.1 | P197 R201 | P197-K199 PolarHBondContact O-N 3.23Å; P197-K199 VanDerWaalsContact O-N 3.11Å; K199-R201 PolarHBondContact O-N 3.28Å; K199-R201 VanDerWaalsContact O-N 3.15Å | ||
| 200 | R | 41.3 | Very low | 44.1 | Very low | 214 Ų | 214 | 165.3 Ų | 165.3 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | trans | -53.8 | 121.4 | 167.8 | -62.4 | -174.4 | -171.8 | -175.9 | 3.3 | 107.5 | Q198 F202 | Q198-R200 VanDerWaalsContact C-N 3.33Å; Q198-R200 PolarHBondContact O-N 3.13Å; R200-F202 VanDerWaalsContact C-N 3.32Å; R200-F202 PolarHBondContact O-N 2.89Å | ||
| 201 | R | 41.1 | Very low | 44.9 | Very low | 247 Ų | 247 | 160 Ų | 160 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | -66.8 | 96.3 | 166.5 | -72.1 | -170.8 | -179.7 | -158.6 | 2.2 | 107.1 | K199 K203 | K199-R201 PolarHBondContact O-N 3.28Å; K199-R201 VanDerWaalsContact O-N 3.15Å; R201-K203 PolarHBondContact O-N 3.23Å | ||
| 202 | F | 36.6 | Very low | 45.3 | Very low | 189 Ų | 189 | 157.6 Ų | 157.6 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -60.4 | 125.9 | 164 | -99.7 | -95 | 0 | 0 | 0 | 107.7 | R200 | R200-F202 VanDerWaalsContact C-N 3.32Å; R200-F202 PolarHBondContact O-N 2.89Å | ||
| 203 | K | 42.9 | Very low | 46.3 | Very low | 193 Ų | 193 | 159.1 Ų | 159.1 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -63.6 | 153.6 | 164.1 | -66.7 | -175.8 | 177.5 | -177 | 0 | 108.2 | R201 D205 | R201-K203 PolarHBondContact O-N 3.23Å; K203-D205 PolarHBondContact O-N 3.06Å | ||
| 204 | S | 49.8 | Very low | 46.5 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 92% | 0.923 | 78% | 0.775 | S | S | * | * | trans | -72.1 | 79.3 | 174.5 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 205 | D | 44 | Very low | 47.7 | Very low | 143 Ų | 143 | 152.5 Ų | 152.5 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | -95 | 158 | 160.3 | -164.6 | 3.6 | 0 | 0 | 0 | 109.1 | K203 G207 | K203-D205 PolarHBondContact O-N 3.06Å; D205-G207 VanDerWaalsContact C-N 3.33Å; D205-G207 PolarHBondContact O-N 3.23Å | ||
| 206 | V | 51.6 | Low | 48.2 | Very low | 140 Ų | 140 | 154.9 Ų | 154.9 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -73.1 | 85.2 | -167.6 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | S208 | V206-S208 PolarHBondContact O-N 3.14Å; V206-S208 VanDerWaalsContact O-N 3.07Å | ||
| 207 | G | 39 | Very low | 49.2 | Very low | 69 Ų | 69 | 155.1 Ų | 155.1 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -59.1 | 111.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D205 E209 | D205-G207 VanDerWaalsContact C-N 3.33Å; D205-G207 PolarHBondContact O-N 3.23Å; G207-E209 PolarHBondContact O-N 3.43Å; G207-E209 VanDerWaalsContact O-N 3.13Å | ||
| 208 | S | 52 | Low | 50.5 | Low | 115 Ų | 115 | 155.7 Ų | 155.7 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -57.3 | 117.6 | 172.9 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | V206 R210 | V206-S208 PolarHBondContact O-N 3.14Å; V206-S208 VanDerWaalsContact O-N 3.07Å; S208-R210 PolarHBondContact O-N 2.98Å | ||
| 209 | E | 50.5 | Low | 51.5 | Low | 128 Ų | 128 | 150.4 Ų | 150.4 | 60% | 0.598 | 74% | 0.744 | S | S | * | * | trans | -57.1 | 137 | -176.3 | -164.1 | -169.4 | 118.6 | 0 | 0 | 110 | G207 R211 | G207-E209 PolarHBondContact O-N 3.43Å; G207-E209 VanDerWaalsContact O-N 3.13Å; E209-R211 HydrophobicContact CB-CG 4.15Å; E209-R211 HydrophobicContact CG-CG 4.15Å; E209-R211 PolarHBondContact O-N 3.35Å; E209-R211 WeakPolarHBondContact OE1-CG 3.47Å; E209-R211 IonicContact OE1-CZ 3.24Å; E209-R211 IonicContact OE1-NE 2.68Å; E209-R211 PolarHBondContact OE1-NE 2.89Å; E209-R211 IonicContact OE1-NH2 3.37Å; E209-R211 PolarHBondContact OE1-NH2 2.67Å; E209-R211 IonicContact OE2-CZ 3.73Å; E209-R211 VanDerWaalsContact OE2-CZ 3.28Å; E209-R211 IonicContact OE2-NE 2.77Å; E209-R211 PolarHBondContact OE2-NE 2.85Å; E209-R211 IonicContact OE2-NH2 2.67Å; E209-R211 PolarHBondContact OE2-NH2 3.49Å | ||
| 210 | R | 54 | Low | 53 | Low | 262 Ų | 262 | 145.1 Ų | 145.1 | 99% | 0.989 | 73% | 0.731 | S | S | * | * | trans | -70.9 | 64.1 | -176 | -69.8 | -175.2 | 176.9 | -121.6 | 1.4 | 112.6 | S208 | S208-R210 PolarHBondContact O-N 2.98Š| ||
| 211 | R | 55.3 | Low | 54.1 | Low | 132 Ų | 132 | 142.1 Ų | 142.1 | 50% | 0.498 | 73% | 0.726 | S | S | . | * | trans | -93 | 130.2 | -179.2 | -67.8 | 179.6 | 173 | 177 | 10.5 | 110.4 | E209 P213 | E209-R211 HydrophobicContact CB-CG 4.15Å; E209-R211 HydrophobicContact CG-CG 4.15Å; E209-R211 PolarHBondContact O-N 3.35Å; E209-R211 WeakPolarHBondContact OE1-CG 3.47Å; E209-R211 IonicContact OE1-CZ 3.24Å; E209-R211 IonicContact OE1-NE 2.68Å; E209-R211 PolarHBondContact OE1-NE 2.89Å; E209-R211 IonicContact OE1-NH2 3.37Å; E209-R211 PolarHBondContact OE1-NH2 2.67Å; E209-R211 IonicContact OE2-CZ 3.73Å; E209-R211 VanDerWaalsContact OE2-CZ 3.28Å; E209-R211 IonicContact OE2-NE 2.77Å; E209-R211 PolarHBondContact OE2-NE 2.85Å; E209-R211 IonicContact OE2-NH2 2.67Å; E209-R211 PolarHBondContact OE2-NH2 3.49Å; R211-P213 WeakPolarHBondContact O-CD 3.12Å | ||
| 212 | N | 55 | Low | 55.2 | Low | 116 Ų | 116 | 134.4 Ų | 134.4 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | trans | -87.2 | 115.2 | 168.9 | -176.9 | -39.8 | 0 | 0 | 0 | 109.3 | S214 | N212-S214 VanDerWaalsContact C-N 3.28Å; N212-S214 PolarHBondContact O-N 2.78Å; N212-S214 WeakPolarHBondContact OD1-CB 3.44Å; N212-S214 PolarHBondContact OD1-N 3.44Å; N212-S214 PolarHBondContact OD1-OG 2.88Å | ||
| 213 | P | 61.6 | Low | 56.5 | Low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -17.2 | -173.2 | -21.2 | 34.3 | 0 | 0 | 0 | 115.3 | R211 R215 | R211-P213 WeakPolarHBondContact O-CD 3.12Å; P213-R215 VanDerWaalsContact C-N 3.34Å; P213-R215 PolarHBondContact O-N 3.3Å |
| 214 | S | 54.3 | Low | 57.6 | Low | 52 Ų | 52 | 127.4 Ų | 127.4 | 36% | 0.364 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.4 | -0.3 | -161.1 | 68.4 | 0 | 0 | 0 | 0 | 116.9 | N212 K216 | N212-S214 VanDerWaalsContact C-N 3.28Å; N212-S214 PolarHBondContact O-N 2.78Å; N212-S214 WeakPolarHBondContact OD1-CB 3.44Å; N212-S214 PolarHBondContact OD1-N 3.44Å; N212-S214 PolarHBondContact OD1-OG 2.88Å; S214-K216 PolarHBondContact O-N 3.25Å |
| 215 | R | 63.9 | Low | 58.3 | Low | 193 Ų | 193 | 125.5 Ų | 125.5 | 73% | 0.728 | 68% | 0.678 | S | S | * | * | trans | -87 | 94 | -175.3 | -73.6 | -166.4 | 175.2 | -137.5 | 1.2 | 112.4 | P213 A217 R218 | P213-R215 VanDerWaalsContact C-N 3.34Å; P213-R215 PolarHBondContact O-N 3.3Å; R215-A217 PolarHBondContact O-N 3.28Å; R215-R218 WeakPolarHBondContact O-CB 3.49Å; R215-R218 PolarHBondContact O-N 3.25Å | ||
| 216 | K | 56.2 | Low | 59.1 | Low | 196 Ų | 196 | 127.8 Ų | 127.8 | 85% | 0.852 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 2.5 | 170.4 | -61.1 | -172.2 | 177.9 | -178.2 | 0 | 116.2 | S214 | S214-K216 PolarHBondContact O-N 3.25Š|
| 217 | A | 61.2 | Low | 59.6 | Low | 100 Ų | 100 | 127.5 Ų | 127.5 | 83% | 0.826 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -4.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | R215 | R215-A217 PolarHBondContact O-N 3.28Š|
| 218 | R | 66.2 | Low | 60.4 | Low | 132 Ų | 132 | 133.9 Ų | 133.9 | 50% | 0.498 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -73.9 | 134.8 | 167.9 | -165.9 | -163.5 | 170.9 | 105.5 | -15.7 | 108.2 | R215 E221 | R215-R218 WeakPolarHBondContact O-CB 3.49Å; R215-R218 PolarHBondContact O-N 3.25Å; R218-E221 IonicContact CZ-OE1 3.68Å; R218-E221 IonicContact NH2-OE1 2.74Å; R218-E221 PolarHBondContact NH2-OE1 3.32Å |
| 219 | P | 64.6 | Low | 60.2 | Low | 72 Ų | 72 | 134.2 Ų | 134.2 | 47% | 0.468 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -56 | 150.9 | 162.2 | -21.4 | 32.9 | 0 | 0 | 0 | 110.7 | F223 | P219-F223 HydrophobicContact CB-CB 3.54Å; P219-F223 HydrophobicContact CB-CD1 3.62Å; P219-F223 HydrophobicContact CB-CD2 4.24Å; P219-F223 HydrophobicContact CB-CE1 4.34Å; P219-F223 HydrophobicContact CB-CG 3.55Å; P219-F223 HydrophobicContact CG-CD1 4.3Å |
| 220 | P | 71.8 | Confident | 60.5 | Low | 93 Ų | 93 | 136.1 Ų | 136.1 | 60% | 0.604 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 154.4 | 170.4 | -29.6 | 34.6 | 0 | 0 | 0 | 113.2 | N222 F223 | P220-N222 PolarHBondContact O-N 3.29Å; P220-N222 VanDerWaalsContact O-N 3.16Å; P220-F223 HydrophobicContact CB-CB 4.27Å; P220-F223 HydrophobicContact CG-CD2 4.43Å; P220-F223 WeakPolarHBondContact O-CB 3.09Å; P220-F223 PolarHBondContact O-N 2.75Å |
| 221 | E | 64.8 | Low | 60.4 | Low | 150 Ų | 150 | 129 Ų | 129 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -31.1 | -176.5 | -157 | 112.6 | -111.4 | 0 | 0 | 112.6 | R218 | R218-E221 IonicContact CZ-OE1 3.68Å; R218-E221 IonicContact NH2-OE1 2.74Å; R218-E221 PolarHBondContact NH2-OE1 3.32Å |
| 222 | N | 64.8 | Low | 60.2 | Low | 85 Ų | 85 | 127.1 Ų | 127.1 | 46% | 0.455 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.6 | 15.4 | 175.8 | -63.7 | 7.2 | 0 | 0 | 0 | 113.2 | P220 G224 V225 E227 | P220-N222 PolarHBondContact O-N 3.29Å; P220-N222 VanDerWaalsContact O-N 3.16Å; N222-G224 PolarHBondContact O-N 2.96Å; N222-V225 HydrophobicContact CB-CB 4.25Å; N222-V225 HydrophobicContact CB-CG2 4.4Å; N222-V225 WeakPolarHBondContact O-CB 3.47Å; N222-V225 PolarHBondContact O-N 2.97Å; N222-E227 PolarHBondContact ND2-OE1 3.14Å |
| 223 | F | 63.7 | Low | 60.2 | Low | 156 Ų | 156 | 133 Ų | 133 | 68% | 0.684 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 107.1 | -176.2 | -170 | -93 | 0 | 0 | 0 | 111.7 | P219 P220 | P219-F223 HydrophobicContact CB-CB 3.54Å; P219-F223 HydrophobicContact CB-CD1 3.62Å; P219-F223 HydrophobicContact CB-CD2 4.24Å; P219-F223 HydrophobicContact CB-CE1 4.34Å; P219-F223 HydrophobicContact CB-CG 3.55Å; P219-F223 HydrophobicContact CG-CD1 4.3Å; P220-F223 HydrophobicContact CB-CB 4.27Å; P220-F223 HydrophobicContact CG-CD2 4.43Å; P220-F223 WeakPolarHBondContact O-CB 3.09Å; P220-F223 PolarHBondContact O-N 2.75Å |
| 224 | G | 64.5 | Low | 59.6 | Low | 80 Ų | 80 | 133.4 Ų | 133.4 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.7 | -1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | N222 | N222-G224 PolarHBondContact O-N 2.96Š|
| 225 | V | 64.9 | Low | 59.6 | Low | 92 Ų | 92 | 142.2 Ų | 142.2 | 56% | 0.558 | 73% | 0.729 | S | S | * | * | trans | -90.5 | 114.3 | 162.6 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | N222 E227 | N222-V225 HydrophobicContact CB-CB 4.25Å; N222-V225 HydrophobicContact CB-CG2 4.4Å; N222-V225 WeakPolarHBondContact O-CB 3.47Å; N222-V225 PolarHBondContact O-N 2.97Å; V225-E227 HydrophobicContact CG1-CG 4.49Å; V225-E227 PolarHBondContact O-N 3.38Å; V225-E227 VanDerWaalsContact O-N 3.08Å | ||
| 226 | E | 60.8 | Low | 59 | Low | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | trans | -78.6 | 88.6 | 168.8 | -68 | -155.9 | 157.4 | 0 | 0 | 109.9 | K228 | E226-K228 PolarHBondContact O-N 3.37Š| ||
| 227 | E | 62.8 | Low | 59 | Low | 134 Ų | 134 | 138.2 Ų | 138.2 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 125.3 | 159.8 | -71.8 | 175 | -157.9 | 0 | 0 | 108.5 | N222 V225 P229 | N222-E227 PolarHBondContact ND2-OE1 3.14Å; V225-E227 HydrophobicContact CG1-CG 4.49Å; V225-E227 PolarHBondContact O-N 3.38Å; V225-E227 VanDerWaalsContact O-N 3.08Å; E227-P229 WeakPolarHBondContact O-CD 3.43Å |
| 228 | K | 56.2 | Low | 59 | Low | 202 Ų | 202 | 144.8 Ų | 144.8 | 88% | 0.878 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 123.2 | 177.8 | -86.3 | -177.7 | 175.4 | 175.7 | 0 | 109.2 | E226 E230 | E226-K228 PolarHBondContact O-N 3.37Å; K228-E230 PolarHBondContact O-N 3.35Å; K228-E230 VanDerWaalsContact O-N 3.14Å |
| 229 | P | 47.4 | Very low | 58.6 | Low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 116.6 | -178.6 | 25.8 | -33.1 | 0 | 0 | 0 | 110.7 | E227 | E227-P229 WeakPolarHBondContact O-CD 3.43Š|
| 230 | E | 56.6 | Low | 58.4 | Low | 167 Ų | 167 | 148.1 Ų | 148.1 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | -45.4 | 139.6 | 155.3 | -87.9 | -77.1 | 131.8 | 0 | 0 | 109.6 | K228 A232 | K228-E230 PolarHBondContact O-N 3.35Å; K228-E230 VanDerWaalsContact O-N 3.14Å; E230-A232 PolarHBondContact O-N 3.02Å | ||
| 231 | P | 51.8 | Low | 57.9 | Low | 114 Ų | 114 | 148.5 Ų | 148.5 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | trans | -65.3 | 95.5 | -172.5 | 25.5 | -34.1 | 0 | 0 | 0 | 111.7 | R233 | P231-R233 PolarHBondContact O-N 3.16Š| ||
| 232 | A | 50.8 | Low | 57.8 | Low | 91 Ų | 91 | 147.1 Ų | 147.1 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | -57.6 | 123.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E230 V234 | E230-A232 PolarHBondContact O-N 3.02Å; A232-V234 PolarHBondContact O-N 2.88Å; A232-V234 VanDerWaalsContact O-N 3.1Å | ||
| 233 | R | 55 | Low | 57.4 | Low | 239 Ų | 239 | 153.4 Ų | 153.4 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -54.8 | 119.4 | -179.7 | -64.4 | -174.8 | -177.9 | -159.6 | 0.2 | 110.2 | P231 R235 | P231-R233 PolarHBondContact O-N 3.16Å; R233-R235 PolarHBondContact O-N 2.89Å | ||
| 234 | V | 49.5 | Very low | 57.1 | Low | 139 Ų | 139 | 155 Ų | 155 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | -53.6 | 106.5 | -177 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | A232 K236 | A232-V234 PolarHBondContact O-N 2.88Å; A232-V234 VanDerWaalsContact O-N 3.1Å; V234-K236 PolarHBondContact O-N 3.07Å | ||
| 235 | R | 54.8 | Low | 56.7 | Low | 237 Ų | 237 | 157.7 Ų | 157.7 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | trans | -72.4 | 113.2 | 168.6 | -72.4 | 179.5 | 172.3 | 162.5 | -1.5 | 107 | R233 | R233-R235 PolarHBondContact O-N 2.89Š| ||
| 236 | K | 51.7 | Low | 56 | Low | 189 Ų | 189 | 160.2 Ų | 160.2 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -52.2 | 140.6 | 173.4 | -67.3 | -172.8 | 176 | -174.1 | 0 | 109.4 | V234 R238 | V234-K236 PolarHBondContact O-N 3.07Å; K236-R238 PolarHBondContact O-N 3.29Å | ||
| 237 | P | 56.2 | Low | 55.9 | Low | 117 Ų | 117 | 157.8 Ų | 157.8 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -58.3 | 140.9 | 175.2 | 25.8 | -34.1 | 0 | 0 | 0 | 109.6 | T239 | P237-T239 PolarHBondContact O-N 3.26Å; P237-T239 VanDerWaalsContact O-N 3.17Å | ||
| 238 | R | 60 | Low | 55.5 | Low | 238 Ų | 238 | 156.7 Ų | 156.7 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -70.6 | 110.2 | 171.6 | -74 | 178.9 | 172.5 | 168.4 | -3.9 | 107.9 | K236 L240 | K236-R238 PolarHBondContact O-N 3.29Å; R238-L240 PolarHBondContact O-N 3.18Å | ||
| 239 | T | 58.4 | Low | 55.2 | Low | 136 Ų | 136 | 152.9 Ų | 152.9 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | -61.6 | 115 | 166.6 | 46.5 | 0 | 0 | 0 | 0 | 108.5 | P237 | P237-T239 PolarHBondContact O-N 3.26Å; P237-T239 VanDerWaalsContact O-N 3.17Å | ||
| 240 | L | 59.1 | Low | 55.5 | Low | 138 Ų | 138 | 154.2 Ų | 154.2 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | trans | -76 | 128.4 | 164 | -62.6 | 179 | 0 | 0 | 0 | 107.2 | R238 I242 | R238-L240 PolarHBondContact O-N 3.18Å; L240-I242 PolarHBondContact O-N 3.12Å | ||
| 241 | D | 63.3 | Low | 55.2 | Low | 101 Ų | 101 | 153.4 Ų | 153.4 | 54% | 0.54 | 75% | 0.751 | S | S | . | * | trans | -81.2 | 110.7 | -177.9 | -162 | -17.2 | 0 | 0 | 0 | 109.6 | W243 R244 | D241-W243 VanDerWaalsContact C-N 3.3Å; D241-W243 PolarHBondContact O-N 3.02Å; D241-R244 HydrophobicContact CB-CB 4.33Å; D241-R244 WeakPolarHBondContact O-CB 3.38Å; D241-R244 PolarHBondContact O-N 3.31Å; D241-R244 VanDerWaalsContact O-N 3.14Å | ||
| 242 | I | 62.3 | Low | 55 | Low | 120 Ų | 120 | 154.5 Ų | 154.5 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -67.8 | -33.8 | -169.9 | -61.2 | 174 | 0 | 0 | 0 | 110.9 | L240 R244 L245 M246 | L240-I242 PolarHBondContact O-N 3.12Å; I242-R244 PolarHBondContact O-N 2.91Å; I242-L245 PolarHBondContact O-N 3.26Å; I242-M246 HydrophobicContact CG2-SD 4.2Å; I242-M246 PolarHBondContact O-N 2.81Å |
| 243 | W | 54.8 | Low | 55.1 | Low | 217 Ų | 217 | 157.5 Ų | 157.5 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -54.4 | -40.5 | 173.7 | -72.8 | 96.7 | 0 | 0 | 0 | 111.4 | D241 L245 M246 E247 | D241-W243 VanDerWaalsContact C-N 3.3Å; D241-W243 PolarHBondContact O-N 3.02Å; W243-L245 PolarHBondContact O-N 3.32Å; W243-M246 CarbonylContact O-C 3.52Å; W243-M246 PolarHBondContact O-N 2.9Å; W243-E247 PolarHBondContact O-N 2.75Å |
| 244 | R | 57.9 | Low | 54.6 | Low | 189 Ų | 189 | 152.9 Ų | 152.9 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -78.1 | 0.5 | -179.7 | -146 | 173.5 | -170.4 | -119.8 | -2.1 | 114.9 | D241 I242 | D241-R244 HydrophobicContact CB-CB 4.33Å; D241-R244 WeakPolarHBondContact O-CB 3.38Å; D241-R244 PolarHBondContact O-N 3.31Å; D241-R244 VanDerWaalsContact O-N 3.14Å; I242-R244 PolarHBondContact O-N 2.91Å |
| 245 | L | 55.9 | Low | 54.6 | Low | 137 Ų | 137 | 150 Ų | 150 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -103.6 | -12.5 | 167.1 | -93.1 | 66.5 | 0 | 0 | 0 | 112.2 | I242 W243 | I242-L245 PolarHBondContact O-N 3.26Å; W243-L245 PolarHBondContact O-N 3.32Å |
| 246 | M | 50.3 | Low | 54.2 | Low | 145 Ų | 145 | 149.5 Ų | 149.5 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -106 | -2.8 | 176.9 | -60.9 | -177.1 | 68.7 | 0 | 0 | 112.5 | I242 W243 V248 | I242-M246 HydrophobicContact CG2-SD 4.2Å; I242-M246 PolarHBondContact O-N 2.81Å; W243-M246 CarbonylContact O-C 3.52Å; W243-M246 PolarHBondContact O-N 2.9Å; M246-V248 PolarHBondContact O-N 3.21Å; M246-V248 VanDerWaalsContact O-N 3.16Å |
| 247 | E | 59.9 | Low | 53.9 | Low | 141 Ų | 141 | 149.3 Ų | 149.3 | 66% | 0.659 | 74% | 0.74 | S | S | * | * | trans | -73.3 | 95.3 | 174.8 | -162.9 | 166.6 | -125 | 0 | 0 | 109.3 | W243 | W243-E247 PolarHBondContact O-N 2.75Š| ||
| 248 | V | 53.4 | Low | 53.4 | Low | 111 Ų | 111 | 153.3 Ų | 153.3 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | trans | -84.8 | 123.1 | 178 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | M246 E250 | M246-V248 PolarHBondContact O-N 3.21Å; M246-V248 VanDerWaalsContact O-N 3.16Å; V248-E250 PolarHBondContact O-N 2.95Å | ||
| 249 | D | 49.6 | Very low | 52.7 | Low | 121 Ų | 121 | 148.4 Ų | 148.4 | 65% | 0.647 | 74% | 0.738 | S | S | * | * | trans | -69.5 | 91.6 | 173 | -83.2 | -35.7 | 0 | 0 | 0 | 110.3 | D251 L252 | D249-D251 PolarHBondContact O-N 3.27Å; D249-D251 VanDerWaalsContact O-N 3.12Å; D249-L252 PolarHBondContact O-N 3.01Å | ||
| 250 | E | 54.1 | Low | 52.4 | Low | 151 Ų | 151 | 153.8 Ų | 153.8 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -66.1 | -1.7 | 170.8 | -73 | -72.2 | -177.7 | 0 | 0 | 113.5 | V248 L252 | V248-E250 PolarHBondContact O-N 2.95Å; E250-L252 PolarHBondContact O-N 3.14Å |
| 251 | D | 49.5 | Very low | 51.8 | Low | 150 Ų | 150 | 156.5 Ų | 156.5 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -75.3 | 3.2 | 172.5 | -83.9 | -12.2 | 0 | 0 | 0 | 113.6 | D249 I253 | D249-D251 PolarHBondContact O-N 3.27Å; D249-D251 VanDerWaalsContact O-N 3.12Å; D251-I253 PolarHBondContact O-N 3.46Å |
| 252 | L | 47.8 | Very low | 51.4 | Low | 137 Ų | 137 | 156 Ų | 156 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -72.7 | -5.1 | -175.5 | -85.9 | 169.9 | 0 | 0 | 0 | 115.5 | D249 E250 | D249-L252 PolarHBondContact O-N 3.01Å; E250-L252 PolarHBondContact O-N 3.14Å |
| 253 | I | 53.1 | Low | 50.7 | Low | 154 Ų | 154 | 156.3 Ų | 156.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -76.3 | -31.6 | -175.9 | -63.1 | 179 | 0 | 0 | 0 | 112.9 | D251 | D251-I253 PolarHBondContact O-N 3.46Š|
| 254 | D | 45.5 | Very low | 50.5 | Low | 143 Ų | 143 | 155.3 Ų | 155.3 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -115.4 | 73.1 | -173.2 | -162.7 | 1.9 | 0 | 0 | 0 | 115.2 | R256 | D254-R256 VanDerWaalsContact C-N 3.29Å; D254-R256 PolarHBondContact O-N 3.17Å |
| 255 | G | 48.3 | Very low | 50.2 | Low | 77 Ų | 77 | 151.5 Ų | 151.5 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 68 | -20.2 | 134.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||
| 256 | R | 48.2 | Very low | 49.8 | Very low | 227 Ų | 227 | 156.3 Ų | 156.3 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | trans | -125.5 | 84.2 | -168.5 | -80.5 | -177.3 | 166.4 | 172.8 | -1.3 | 114.5 | D254 K258 | D254-R256 VanDerWaalsContact C-N 3.29Å; D254-R256 PolarHBondContact O-N 3.17Å; R256-K258 PolarHBondContact O-N 3.11Å | ||
| 257 | K | 43.9 | Very low | 49.6 | Very low | 185 Ų | 185 | 158.5 Ų | 158.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -58.1 | 89.4 | 166.1 | -70.8 | -177.8 | 178.4 | 176 | 0 | 111.8 | N259 | K257-N259 PolarHBondContact O-N 3.21Š| ||
| 258 | K | 46.2 | Very low | 49 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -66.8 | 81.8 | 165.6 | -78.8 | 178.6 | -179 | 164.9 | 0 | 109.2 | R256 R260 | R256-K258 PolarHBondContact O-N 3.11Å; K258-R260 PolarHBondContact O-N 2.72Å | ||
| 259 | N | 46.2 | Very low | 49 | Very low | 135 Ų | 135 | 159.4 Ų | 159.4 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | -46 | 111.5 | 171.2 | -84.4 | -36.2 | 0 | 0 | 0 | 109.6 | K257 R261 | K257-N259 PolarHBondContact O-N 3.21Å; N259-R261 PolarHBondContact O-N 3.39Å | ||
| 260 | R | 50.3 | Low | 49.5 | Very low | 250 Ų | 250 | 159.8 Ų | 159.8 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | trans | -63.1 | 85.1 | 169.1 | -79.3 | -177.7 | 172.8 | 142.5 | 1.5 | 107.5 | K258 S262 | K258-R260 PolarHBondContact O-N 2.72Å; R260-S262 PolarHBondContact O-N 3.45Å | ||
| 261 | R | 47.7 | Very low | 50.1 | Low | 194 Ų | 194 | 159.7 Ų | 159.7 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | -55.1 | 111.6 | 175.8 | -68 | 178 | 179.8 | 176.6 | 0.9 | 106.2 | N259 | N259-R261 PolarHBondContact O-N 3.39Š| ||
| 262 | S | 54.7 | Low | 51.3 | Low | 91 Ų | 91 | 156 Ų | 156 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -49.8 | 145.4 | 164.3 | 50.1 | 0 | 0 | 0 | 0 | 108 | R260 R264 | R260-S262 PolarHBondContact O-N 3.45Å; S262-R264 PolarHBondContact O-N 3.42Å | ||
| 263 | P | 47.9 | Very low | 52.8 | Low | 126 Ų | 126 | 153 Ų | 153 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -50.8 | 112 | 175.4 | -25.8 | 34.4 | 0 | 0 | 0 | 107.3 | S265 | P263-S265 VanDerWaalsContact C-N 3.29Å; P263-S265 PolarHBondContact O-N 2.83Å | ||
| 264 | R | 50.4 | Low | 54.2 | Low | 196 Ų | 196 | 147.6 Ų | 147.6 | 74% | 0.74 | 72% | 0.716 | S | S | * | * | trans | -61.2 | 102.4 | -179.1 | -78.3 | -178.6 | 172.9 | 179.7 | -2.9 | 104.7 | S262 R266 | S262-R264 PolarHBondContact O-N 3.42Å; R264-R266 PolarHBondContact O-N 2.84Å | ||
| 265 | S | 51.6 | Low | 56.1 | Low | 110 Ų | 110 | 142.3 Ų | 142.3 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | trans | -44 | 115.3 | 168.8 | 176.6 | 0 | 0 | 0 | 0 | 104.9 | P263 K267 | P263-S265 VanDerWaalsContact C-N 3.29Å; P263-S265 PolarHBondContact O-N 2.83Å; S265-K267 PolarHBondContact O-N 3.31Å | ||
| 266 | R | 48 | Very low | 57.8 | Low | 237 Ų | 237 | 146 Ų | 146 | 89% | 0.894 | 69% | 0.69 | S | S | * | * | trans | -54.8 | 109.6 | -170.4 | -74.8 | 179.5 | 177.7 | 165.1 | -2.3 | 104.6 | R264 S268 | R264-R266 PolarHBondContact O-N 2.84Å; R266-S268 VanDerWaalsContact C-N 3.34Å; R266-S268 PolarHBondContact O-N 3.44Å | ||
| 267 | K | 45.9 | Very low | 59.6 | Low | 191 Ų | 191 | 139 Ų | 139 | 83% | 0.83 | 67% | 0.668 | S | S | * | * | trans | -51.9 | 113 | 170.1 | -82.4 | -174.8 | 176.1 | -179 | 0 | 102.8 | S265 Q269 | S265-K267 PolarHBondContact O-N 3.31Å; K267-Q269 PolarHBondContact O-N 2.92Å | ||
| 268 | S | 46.9 | Very low | 61.9 | Low | 87 Ų | 87 | 131.1 Ų | 131.1 | 61% | 0.608 | 63% | 0.634 | S | S | * | * | trans | -56.2 | 101.4 | 170.6 | 49.4 | 0 | 0 | 0 | 0 | 104.2 | R266 F270 | R266-S268 VanDerWaalsContact C-N 3.34Å; R266-S268 PolarHBondContact O-N 3.44Å; S268-F270 VanDerWaalsContact C-N 3.29Å; S268-F270 WeakPolarHBondContact O-CD2 3.36Å; S268-F270 PolarHBondContact O-N 3.22Å | ||
| 269 | Q | 54.3 | Low | 64.1 | Low | 184 Ų | 184 | 124.7 Ų | 124.7 | 86% | 0.86 | 61% | 0.612 | S | S | * | * | trans | -61.6 | 108 | 174.5 | -76.5 | 168.2 | -65.1 | 0 | 0 | 102.2 | K267 L271 | K267-Q269 PolarHBondContact O-N 2.92Å; Q269-L271 VanDerWaalsContact C-N 3.26Å; Q269-L271 PolarHBondContact O-N 3.11Å | ||
| 270 | F | 60.1 | Low | 66.2 | Low | 130 Ų | 130 | 124.1 Ų | 124.1 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | trans | -60.4 | 103.1 | 176.4 | -72.6 | -91.2 | 0 | 0 | 0 | 103.8 | S268 V272 | S268-F270 VanDerWaalsContact C-N 3.29Å; S268-F270 WeakPolarHBondContact O-CD2 3.36Å; S268-F270 PolarHBondContact O-N 3.22Å; F270-V272 VanDerWaalsContact C-N 3.28Å; F270-V272 PolarHBondContact O-N 2.73Å | ||
| 271 | L | 65.1 | Low | 68.2 | Low | 148 Ų | 148 | 118.3 Ų | 118.3 | 78% | 0.775 | 59% | 0.592 | S | S | * | * | trans | -65.4 | 99.9 | -178.3 | -175.5 | 63.7 | 0 | 0 | 0 | 105.5 | Q269 K273 | Q269-L271 VanDerWaalsContact C-N 3.26Å; Q269-L271 PolarHBondContact O-N 3.11Å; L271-K273 PolarHBondContact O-N 2.72Å; L271-K273 VanDerWaalsContact O-N 3.09Å | ||
| 272 | V | 75.3 | Confident | 70.3 | Confident | 73 Ų | 73 | 111 Ų | 111 | 44% | 0.442 | 57% | 0.567 | S | S | . | * | trans | -69 | 103.7 | 170.6 | 166.1 | 0 | 0 | 0 | 0 | 104.1 | F270 S274 V316 | F270-V272 VanDerWaalsContact C-N 3.28Å; F270-V272 PolarHBondContact O-N 2.73Å; V272-S274 PolarHBondContact O-N 2.97Å; V272-V316 HydrophobicContact CB-CG1 4.1Å; V272-V316 HydrophobicContact CG1-CG1 3.7Å; V272-V316 HydrophobicContact CG2-CG1 3.78Å | ||
| 273 | K | 79.2 | Confident | 72.2 | Confident | 73 Ų | 73 | 107.6 Ų | 107.6 | 32% | 0.317 | 54% | 0.542 | S | S | . | . | trans | -47.1 | 130.8 | 166.1 | -79.1 | -168.7 | 163.2 | -155.6 | 0 | 108.1 | L271 E277 I278 D282 | L271-K273 PolarHBondContact O-N 2.72Å; L271-K273 VanDerWaalsContact O-N 3.09Å; K273-E277 HydrophobicContact CB-CB 3.86Å; K273-E277 HydrophobicContact CD-CB 4.17Å; K273-E277 WeakPolarHBondContact CD-O 3.21Å; K273-E277 WeakPolarHBondContact CE-O 3.47Å; K273-E277 HydrophobicContact CG-CB 3.98Å; K273-E277 PolarHBondContact NZ-O 3.3Å; K273-I278 HydrophobicContact CB-CG1 4.41Å; K273-I278 HydrophobicContact CD-CG1 4.37Å; K273-D282 IonicContact NZ-OD2 3.44Å; K273-D282 PolarHBondContact NZ-OD2 2.85Å | ||
| 274 | S | 83.1 | Confident | 74.4 | Confident | 41 Ų | 41 | 108.6 Ų | 108.6 | 29% | 0.287 | 54% | 0.536 | S | S | . | . | trans | -57.3 | 176 | 164.4 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | V272 D276 E277 | V272-S274 PolarHBondContact O-N 2.97Å; S274-D276 VanDerWaalsContact C-N 3.27Å; S274-E277 VanDerWaalsContact CB-OE1 3.26Å; S274-E277 WeakPolarHBondContact CB-OE1 3.4Å; S274-E277 PolarHBondContact N-OE1 3.17Å; S274-E277 VanDerWaalsContact OG-CG 3.26Å; S274-E277 WeakPolarHBondContact OG-CG 3.44Å; S274-E277 PolarHBondContact OG-N 2.89Å; S274-E277 PolarHBondContact OG-OE1 2.79Å | ||
| 275 | V | 85.6 | Confident | 76.5 | Confident | 33 Ų | 33 | 102.5 Ų | 102.5 | 20% | 0.2 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -65.1 | -39.8 | 170.7 | 170.5 | 0 | 0 | 0 | 0 | 109.8 | E277 I278 L347 P349 | V275-E277 VanDerWaalsContact C-N 3.27Å; V275-E277 PolarHBondContact O-N 3.07Å; V275-I278 WeakPolarHBondContact O-CB 3.38Å; V275-I278 PolarHBondContact O-N 3Å; V275-I278 VanDerWaalsContact O-N 3.16Å; V275-L347 HydrophobicContact CG1-CD2 4.5Å; V275-L347 WeakPolarHBondContact CG1-O 3.39Å; V275-P349 HydrophobicContact CG2-CB 3.83Å |
| 276 | D | 82.6 | Confident | 78.6 | Confident | 153 Ų | 153 | 98 Ų | 98 | 82% | 0.818 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -15.5 | -174.2 | -38.7 | -81 | 0 | 0 | 0 | 113.4 | S274 | S274-D276 VanDerWaalsContact C-N 3.27Š|
| 277 | E | 87.7 | Confident | 80.8 | Confident | 82 Ų | 82 | 87 Ų | 87 | 38% | 0.383 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3 | 172.5 | -80.1 | 165.8 | -98 | 0 | 0 | 114.2 | K273 S274 V275 | K273-E277 HydrophobicContact CB-CB 3.86Å; K273-E277 HydrophobicContact CD-CB 4.17Å; K273-E277 WeakPolarHBondContact CD-O 3.21Å; K273-E277 WeakPolarHBondContact CE-O 3.47Å; K273-E277 HydrophobicContact CG-CB 3.98Å; K273-E277 PolarHBondContact NZ-O 3.3Å; S274-E277 VanDerWaalsContact CB-OE1 3.26Å; S274-E277 WeakPolarHBondContact CB-OE1 3.4Å; S274-E277 PolarHBondContact N-OE1 3.17Å; S274-E277 VanDerWaalsContact OG-CG 3.26Å; S274-E277 WeakPolarHBondContact OG-CG 3.44Å; S274-E277 PolarHBondContact OG-N 2.89Å; S274-E277 PolarHBondContact OG-OE1 2.79Å; V275-E277 VanDerWaalsContact C-N 3.27Å; V275-E277 PolarHBondContact O-N 3.07Å |
| 278 | I | 90.8 | Very high | 83.1 | Confident | 19 Ų | 19 | 83.4 Ų | 83.4 | 10% | 0.097 | 43% | 0.428 | C | S | . | . | trans | -91.8 | 110 | -179.5 | -65.6 | 167.3 | 0 | 0 | 0 | 108.3 | K273 V275 D282 L283 L346 | K273-I278 HydrophobicContact CB-CG1 4.41Å; K273-I278 HydrophobicContact CD-CG1 4.37Å; V275-I278 WeakPolarHBondContact O-CB 3.38Å; V275-I278 PolarHBondContact O-N 3Å; V275-I278 VanDerWaalsContact O-N 3.16Å; I278-D282 HydrophobicContact CG2-CB 4.06Å; I278-L283 HydrophobicContact CG2-CD2 3.97Å; I278-L283 HydrophobicContact CG2-CG 4.18Å; I278-L346 HydrophobicContact CD1-CB 4.09Å; I278-L346 HydrophobicContact CD1-CD2 3.94Å; I278-L346 WeakPolarHBondContact CD1-O 3.17Å; I278-L346 HydrophobicContact CG2-CB 4.43Å | ||
| 279 | T | 92.3 | Very high | 85.4 | Confident | 65 Ų | 65 | 87.3 Ų | 87.3 | 40% | 0.399 | 43% | 0.429 | S | S | . | . | trans | -88.5 | 165.6 | -178.6 | 68.8 | 0 | 0 | 0 | 0 | 110.9 | E281 D282 L283 | T279-E281 WeakPolarHBondContact CB-OE2 3.4Å; T279-E281 PolarHBondContact O-N 2.83Å; T279-E281 PolarHBondContact OG1-OE2 3.48Å; T279-D282 WeakPolarHBondContact O-CB 3.17Å; T279-D282 PolarHBondContact O-N 3.25Å; T279-D282 VanDerWaalsContact O-N 3.07Å; T279-L283 PolarHBondContact O-N 2.79Å | ||
| 280 | D | 91.6 | Very high | 87.1 | Confident | 123 Ų | 123 | 82.8 Ų | 82.8 | 66% | 0.658 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.6 | -31.2 | 179 | -69.6 | -55.2 | 0 | 0 | 0 | 112.3 | D282 L283 E284 | D280-D282 VanDerWaalsContact C-N 3.32Å; D280-D282 PolarHBondContact O-N 3.42Å; D280-L283 CarbonylContact O-C 3.56Å; D280-L283 WeakPolarHBondContact O-CA 3.3Å; D280-L283 WeakPolarHBondContact O-CB 3.27Å; D280-L283 PolarHBondContact O-N 2.82Å; D280-E284 WeakPolarHBondContact O-CG 3.35Å; D280-E284 PolarHBondContact O-N 3.23Å |
| 281 | E | 92.4 | Very high | 88.7 | Confident | 128 Ų | 128 | 85.9 Ų | 85.9 | 60% | 0.598 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.7 | -33.4 | 175 | -50.5 | 88.6 | 164 | 0 | 0 | 112.5 | T279 L283 E284 N285 | T279-E281 WeakPolarHBondContact CB-OE2 3.4Å; T279-E281 PolarHBondContact O-N 2.83Å; T279-E281 PolarHBondContact OG1-OE2 3.48Å; E281-L283 VanDerWaalsContact C-N 3.29Å; E281-L283 PolarHBondContact O-N 2.87Å; E281-E284 PolarHBondContact O-N 2.75Å; E281-N285 VanDerWaalsContact O-CB 3.29Å; E281-N285 WeakPolarHBondContact O-CB 3.47Å; E281-N285 PolarHBondContact O-N 2.83Å |
| 282 | D | 91.4 | Very high | 90 | Very high | 40 Ų | 40 | 82.6 Ų | 82.6 | 21% | 0.214 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.6 | -35.7 | 171.6 | -95.1 | -18.1 | 0 | 0 | 0 | 110.6 | K273 I278 T279 D280 T313 | K273-D282 IonicContact NZ-OD2 3.44Å; K273-D282 PolarHBondContact NZ-OD2 2.85Å; I278-D282 HydrophobicContact CG2-CB 4.06Å; T279-D282 WeakPolarHBondContact O-CB 3.17Å; T279-D282 PolarHBondContact O-N 3.25Å; T279-D282 VanDerWaalsContact O-N 3.07Å; D280-D282 VanDerWaalsContact C-N 3.32Å; D280-D282 PolarHBondContact O-N 3.42Å; D282-T313 HydrophobicContact CB-CG2 4.18Å; D282-T313 WeakPolarHBondContact O-CB 3.4Å; D282-T313 WeakPolarHBondContact O-CG2 3.35Å; D282-T313 PolarHBondContact O-OG1 3.04Å |
| 283 | L | 93.6 | Very high | 90.9 | Very high | 20 Ų | 20 | 79.8 Ų | 79.8 | 11% | 0.105 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -75.2 | -34 | 176.2 | -59.7 | 177 | 0 | 0 | 0 | 112.5 | I278 T279 D280 E281 V286 R343 L346 L347 | I278-L283 HydrophobicContact CG2-CD2 3.97Å; I278-L283 HydrophobicContact CG2-CG 4.18Å; T279-L283 PolarHBondContact O-N 2.79Å; D280-L283 CarbonylContact O-C 3.56Å; D280-L283 WeakPolarHBondContact O-CA 3.3Å; D280-L283 WeakPolarHBondContact O-CB 3.27Å; D280-L283 PolarHBondContact O-N 2.82Å; E281-L283 VanDerWaalsContact C-N 3.29Å; E281-L283 PolarHBondContact O-N 2.87Å; L283-V286 WeakPolarHBondContact O-CB 3.34Å; L283-V286 WeakPolarHBondContact O-CG2 3.32Å; L283-V286 PolarHBondContact O-N 2.8Å; L283-R343 HydrophobicContact CD2-CB 4.38Å; L283-R343 HydrophobicContact CD2-CG 4.39Å; L283-R343 VanDerWaalsContact O-CZ 3.23Å; L283-R343 PolarHBondContact O-NE 3.16Å; L283-R343 PolarHBondContact O-NH2 3.01Å; L283-L346 HydrophobicContact CD2-CB 4.02Å; L283-L346 HydrophobicContact CD2-CD1 3.92Å; L283-L347 HydrophobicContact CD1-CD1 4.44Å; L283-L347 HydrophobicContact CD1-CD2 4.48Å |
| 284 | E | 94.1 | Very high | 91.6 | Very high | 147 Ų | 147 | 81.7 Ų | 81.7 | 69% | 0.687 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.9 | -39.7 | 173.3 | -71.5 | -163.1 | 159.2 | 0 | 0 | 112.8 | D280 E281 V286 | D280-E284 WeakPolarHBondContact O-CG 3.35Å; D280-E284 PolarHBondContact O-N 3.23Å; E281-E284 PolarHBondContact O-N 2.75Å; E284-V286 PolarHBondContact O-N 2.9Å |
| 285 | N | 94.6 | Very high | 92.2 | Very high | 69 Ų | 69 | 87.4 Ų | 87.4 | 37% | 0.369 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 8.5 | 176.3 | -177.9 | 55.6 | 0 | 0 | 0 | 114.1 | E281 A287 L311 D312 T313 | E281-N285 VanDerWaalsContact O-CB 3.29Å; E281-N285 WeakPolarHBondContact O-CB 3.47Å; E281-N285 PolarHBondContact O-N 2.83Å; N285-A287 PolarHBondContact O-N 3.17Å; N285-L311 PolarHBondContact ND2-O 2.82Å; N285-D312 CarbonylContact O-C 3.59Å; N285-D312 VanDerWaalsContact O-CA 3.25Å; N285-D312 WeakPolarHBondContact O-CA 3.48Å; N285-D312 WeakPolarHBondContact O-CB 3.4Å; N285-T313 WeakPolarHBondContact CB-OG1 3.22Å; N285-T313 PolarHBondContact ND2-N 2.9Å; N285-T313 VanDerWaalsContact ND2-N 3.13Å; N285-T313 PolarHBondContact ND2-OG1 3.49Å; N285-T313 PolarHBondContact O-N 3.39Å |
| 286 | V | 95.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 88 Ų | 88 | 9% | 0.085 | 43% | 0.426 | C | S | . | . | trans | -76.8 | 107 | 170.9 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | L283 E284 Y288 V342 R343 L346 | L283-V286 WeakPolarHBondContact O-CB 3.34Å; L283-V286 WeakPolarHBondContact O-CG2 3.32Å; L283-V286 PolarHBondContact O-N 2.8Å; E284-V286 PolarHBondContact O-N 2.9Å; V286-Y288 PolarHBondContact O-N 2.78Å; V286-V342 HydrophobicContact CG1-CB 3.74Å; V286-V342 HydrophobicContact CG1-CG1 3.84Å; V286-V342 HydrophobicContact CG2-CG1 3.87Å; V286-R343 HydrophobicContact CB-CG 4.45Å; V286-R343 HydrophobicContact CG2-CG 4.27Å; V286-L346 HydrophobicContact CG2-CD1 3.99Å | ||
| 287 | A | 95.8 | Very high | 93 | Very high | 7 Ų | 7 | 85.2 Ų | 85.2 | 6% | 0.058 | 41% | 0.407 | C | S | . | . | trans | -66 | 123.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N285 D292 K293 D312 G331 P332 | N285-A287 PolarHBondContact O-N 3.17Å; A287-D292 HydrophobicContact CB-CB 4.13Å; A287-K293 HydrophobicContact CB-CG 3.85Å; A287-D312 HydrophobicContact CB-CB 3.73Å; A287-G331 WeakPolarHBondContact O-CA 3.21Å; A287-P332 WeakPolarHBondContact O-CD 3.41Å | ||
| 288 | Y | 93.6 | Very high | 93.2 | Very high | 115 Ų | 115 | 86.3 Ų | 86.3 | 45% | 0.451 | 42% | 0.415 | S | S | . | . | trans | -90.6 | -34 | -177.3 | -162.2 | -100.3 | 0 | 0 | 0 | 113 | V286 D292 K335 | V286-Y288 PolarHBondContact O-N 2.78Å; Y288-D292 PolarHBondContact N-OD2 2.92Å; Y288-K335 PolarHBondContact OH-NZ 3.49Å | ||
| 289 | R | 93.9 | Very high | 93.2 | Very high | 169 Ų | 169 | 91.9 Ų | 91.9 | 64% | 0.638 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -119.6 | 159.4 | 177.2 | -50.7 | 178.9 | -179 | -108 | 0.8 | 110.3 | K291 D292 P332 | R289-K291 PolarHBondContact O-N 3.28Å; R289-K291 VanDerWaalsContact O-N 3.08Å; R289-D292 WeakPolarHBondContact CA-OD2 3.46Å; R289-D292 WeakPolarHBondContact CB-OD2 3.15Å; R289-D292 PolarHBondContact N-OD2 3.31Å; R289-D292 PolarHBondContact O-N 3.38Å; R289-D292 VanDerWaalsContact O-N 3.1Å; R289-P332 VanDerWaalsContact C-CG 3.48Å |
| 290 | S | 91.3 | Very high | 93.2 | Very high | 89 Ų | 89 | 88.9 Ų | 88.9 | 62% | 0.622 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.3 | 178.1 | -55.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 291 | K | 93.3 | Very high | 93.3 | Very high | 195 Ų | 195 | 85.1 Ų | 85.1 | 85% | 0.848 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -26.5 | 175.3 | -67.7 | -174.1 | 177.5 | -176.8 | 0 | 112.6 | R289 K293 | R289-K291 PolarHBondContact O-N 3.28Å; R289-K291 VanDerWaalsContact O-N 3.08Å; K291-K293 PolarHBondContact O-N 3.27Å |
| 292 | D | 92.9 | Very high | 93.4 | Very high | 80 Ų | 80 | 80.2 Ų | 80.2 | 43% | 0.428 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -84.1 | -2.2 | -169.9 | -35.5 | -19.4 | 0 | 0 | 0 | 111.1 | A287 Y288 R289 I294 | A287-D292 HydrophobicContact CB-CB 4.13Å; Y288-D292 PolarHBondContact N-OD2 2.92Å; R289-D292 WeakPolarHBondContact CA-OD2 3.46Å; R289-D292 WeakPolarHBondContact CB-OD2 3.15Å; R289-D292 PolarHBondContact N-OD2 3.31Å; R289-D292 PolarHBondContact O-N 3.38Å; R289-D292 VanDerWaalsContact O-N 3.1Å; D292-I294 PolarHBondContact O-N 3.16Å |
| 293 | K | 94.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 78.3 Ų | 78.3 | 6% | 0.057 | 38% | 0.38 | C | S | . | . | trans | -82.7 | 109.1 | -176.4 | -62.5 | -167.9 | -173.3 | -171.3 | 0 | 112.2 | A287 K291 W295 T310 C330 | A287-K293 HydrophobicContact CB-CG 3.85Å; K291-K293 PolarHBondContact O-N 3.27Å; K293-W295 PolarHBondContact O-N 3.14Å; K293-T310 HydrophobicContact CB-CG2 3.96Å; K293-T310 HydrophobicContact CD-CG2 4.25Å; K293-C330 PolarHBondContact NZ-SG 3.29Å | ||
| 294 | I | 94.4 | Very high | 93.7 | Very high | 113 Ų | 113 | 78.5 Ų | 78.5 | 58% | 0.579 | 38% | 0.381 | S | S | * | . | trans | -73.7 | 122.1 | 166.4 | -54.5 | 176.4 | 0 | 0 | 0 | 108.9 | D292 T310 L311 | D292-I294 PolarHBondContact O-N 3.16Å; I294-T310 CarbonylContact O-C 3.5Å; I294-T310 WeakPolarHBondContact O-CA 3.31Å; I294-T310 VanDerWaalsContact O-CB 3.24Å; I294-T310 WeakPolarHBondContact O-CB 3.2Å; I294-T310 WeakPolarHBondContact O-CG2 3.5Å; I294-L311 HydrophobicContact CG2-CD1 3.94Å; I294-L311 PolarHBondContact O-N 3.32Å | ||
| 295 | W | 95.1 | Very high | 93.6 | Very high | 162 Ų | 162 | 72.7 Ų | 72.7 | 61% | 0.614 | 35% | 0.353 | S | S | * | . | B | Isolated β-bridge | trans | -90.6 | 127.5 | -179.7 | -79.5 | 77.1 | 0 | 0 | 0 | 112 | K293 Q308 T310 | K293-W295 PolarHBondContact O-N 3.14Å; W295-Q308 HydrophobicContact CH2-CB 3.66Å; W295-Q308 HydrophobicContact CH2-CG 3.46Å; W295-Q308 VanDerWaalsContact CH2-CG 3.46Å; W295-Q308 HydrophobicContact CZ2-CB 3.92Å; W295-Q308 HydrophobicContact CZ2-CG 3.64Å; W295-Q308 HydrophobicContact CZ3-CB 3.99Å; W295-Q308 HydrophobicContact CZ3-CG 4.28Å; W295-T310 HydrophobicContact CB-CG2 4.44Å; W295-T310 HydrophobicContact CD2-CG2 3.85Å; W295-T310 HydrophobicContact CE3-CG2 4.38Å; W295-T310 HydrophobicContact CG-CG2 3.82Å |
| 296 | D | 93 | Very high | 93.6 | Very high | 46 Ų | 46 | 71.4 Ų | 71.4 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | trans | -137.1 | 132.4 | 172.1 | -173.4 | -46 | 0 | 0 | 0 | 108.4 | D298 N299 G300 K309 L311 | D296-D298 PolarHBondContact OD1-N 2.62Å; D296-N299 PolarHBondContact OD1-N 2.87Å; D296-G300 WeakPolarHBondContact O-CA 3.49Å; D296-G300 PolarHBondContact OD1-N 3.3Å; D296-K309 PolarHBondContact N-O 3.28Å; D296-K309 CarbonylContact O-C 3.54Å; D296-K309 VanDerWaalsContact O-C 3.32Å; D296-K309 WeakPolarHBondContact O-CB 3.24Å; D296-K309 VanDerWaalsContact O-O 3.09Å; D296-L311 HydrophobicContact CB-CD1 4.17Å; D296-L311 HydrophobicContact CB-CD2 3.66Å; D296-L311 HydrophobicContact CB-CG 3.68Å | ||
| 297 | K | 92.2 | Very high | 93.5 | Very high | 94 Ų | 94 | 77.1 Ų | 77.1 | 41% | 0.409 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -87.6 | -30 | -177.2 | 176.1 | -180 | 135.3 | -74.4 | 0 | 112.9 | K309 | K297-K309 VanDerWaalsContact O-CD 3.31Å; K297-K309 WeakPolarHBondContact O-CD 3.3Å; K297-K309 VanDerWaalsContact O-CE 3.32Å; K297-K309 WeakPolarHBondContact O-CE 3.38Å; K297-K309 PolarHBondContact O-NZ 3.27Å |
| 298 | D | 91.2 | Very high | 93.5 | Very high | 104 Ų | 104 | 79.4 Ų | 79.4 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -106.8 | -45.4 | -166.3 | -62.1 | -57.7 | 0 | 0 | 0 | 110.1 | D296 | D296-D298 PolarHBondContact OD1-N 2.62Š|
| 299 | N | 91.1 | Very high | 93.6 | Very high | 136 Ų | 136 | 77.5 Ų | 77.5 | 73% | 0.727 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -91.2 | -23 | 172.2 | -70 | 64.6 | 0 | 0 | 0 | 113.6 | D296 S301 L311 | D296-N299 PolarHBondContact OD1-N 2.87Å; N299-S301 PolarHBondContact O-N 3.09Å; N299-L311 HydrophobicContact CB-CD2 4.29Å |
| 300 | G | 91.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -65 | 130.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | D296 K309 | D296-G300 WeakPolarHBondContact O-CA 3.49Å; D296-G300 PolarHBondContact OD1-N 3.3Å; G300-K309 PolarHBondContact O-NZ 3.07Å |
| 301 | S | 93.2 | Very high | 93.9 | Very high | 44 Ų | 44 | 68.6 Ų | 68.6 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 149.9 | 173.9 | 60.4 | 0 | 0 | 0 | 0 | 110.9 | N299 K309 T310 K314 | N299-S301 PolarHBondContact O-N 3.09Å; S301-K309 WeakPolarHBondContact O-CA 3.3Å; S301-T310 PolarHBondContact N-O 2.68Å; S301-T310 VanDerWaalsContact N-O 3.13Å; S301-T310 PolarHBondContact O-N 2.51Å; S301-T310 VanDerWaalsContact O-N 3.11Å; S301-K314 WeakPolarHBondContact O-CE 3.36Å; S301-K314 PolarHBondContact O-NZ 2.85Å; S301-K314 PolarHBondContact OG-NZ 3.03Å |
| 302 | S | 95.3 | Very high | 94 | Very high | 25 Ų | 25 | 59.5 Ų | 59.5 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.4 | -172.5 | -164.9 | 0 | 0 | 0 | 0 | 112.5 | R307 Q308 | S302-R307 PolarHBondContact OG-O 3.11Å; S302-Q308 WeakPolarHBondContact CA-O 3.18Å; S302-Q308 PolarHBondContact OG-O 2.77Å |
| 303 | C | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 130.9 | 171.6 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | Q305 R307 Q308 K314 Q328 C330 | C303-Q305 VanDerWaalsContact C-N 3.3Å; C303-Q305 PolarHBondContact O-N 2.84Å; C303-Q305 PolarHBondContact SG-N 3.13Å; C303-Q305 VanDerWaalsContact SG-N 3.42Å; C303-R307 WeakPolarHBondContact O-CA 3.42Å; C303-R307 PolarHBondContact O-N 3.47Å; C303-Q308 PolarHBondContact N-O 2.83Å; C303-Q308 VanDerWaalsContact N-O 3.16Å; C303-K314 HydrophobicContact CB-CD 4.31Å; C303-Q328 CarbonylContact C-O 3.25Å; C303-Q328 WeakPolarHBondContact CA-O 3.2Å; C303-C330 HydrophobicContact CB-CB 4.32Å; C303-C330 PolarHBondContact SG-SG 3.38Å |
| 304 | H | 95.1 | Very high | 94.1 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -48.6 | 175.2 | -179.9 | 68.7 | 0 | 0 | 0 | 113.4 | V325 Q328 Y329 I355 C362 | H304-V325 WeakPolarHBondContact CB-O 3.32Å; H304-Q328 PolarHBondContact N-O 3.42Å; H304-Y329 HydrophobicContact CB-CE1 4.48Å; H304-Y329 HydrophobicContact CB-CE2 4.15Å; H304-Y329 AromaticContact CD2-CZ 3.72Å; H304-Y329 PolarHBondContact CD2-OH 3.33Å; H304-Y329 VanDerWaalsContact CD2-OH 3.31Å; H304-I355 WeakPolarHBondContact CE1-CD1 3.36Å; H304-C362 PolarHBondContact NE2-SG 3.23Å |
| 305 | Q | 93.9 | Very high | 94.1 | Very high | 25 Ų | 25 | 50.9 Ų | 50.9 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -44.1 | -167.1 | -179.2 | 60.1 | 72 | 0 | 0 | 113.9 | C303 Y329 C333 Y338 | C303-Q305 VanDerWaalsContact C-N 3.3Å; C303-Q305 PolarHBondContact O-N 2.84Å; C303-Q305 PolarHBondContact SG-N 3.13Å; C303-Q305 VanDerWaalsContact SG-N 3.42Å; Q305-Y329 HydrophobicContact CB-CD1 4.05Å; Q305-Y329 HydrophobicContact CB-CE1 4.08Å; Q305-C333 HydrophobicContact CB-CB 3.9Å; Q305-C333 HydrophobicContact CG-CB 3.94Å; Q305-Y338 PolarHBondContact OE1-OH 3.02Å; Q305-Y338 VanDerWaalsContact OE1-OH 3.09Å |
| 306 | C | 93.8 | Very high | 94.1 | Very high | 41 Ų | 41 | 44.8 Ų | 44.8 | 28% | 0.277 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -11 | -179.4 | 64.4 | 0 | 0 | 0 | 0 | 114.1 | Q308 C333 | C306-Q308 HydrophobicContact CB-CG 3.91Å; C306-Q308 PolarHBondContact O-N 2.83Å; C306-Q308 VanDerWaalsContact SG-CG 3.51Å; C306-Q308 PolarHBondContact SG-OE1 3.46Å; C306-C333 VanDerWaalsContact SG-SG 3.63Å |
| 307 | R | 94 | Very high | 94.1 | Very high | 135 Ų | 135 | 43 Ų | 43 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | trans | 59.8 | 8.7 | -179.7 | -47 | 179.8 | -145.4 | 159.3 | 11.1 | 115 | S302 C303 S363 L364 | S302-R307 PolarHBondContact OG-O 3.11Å; C303-R307 WeakPolarHBondContact O-CA 3.42Å; C303-R307 PolarHBondContact O-N 3.47Å; R307-S363 PolarHBondContact NH2-OG 2.91Å; R307-L364 VanDerWaalsContact CZ-CD1 3.47Å | ||
| 308 | Q | 94.6 | Very high | 94 | Very high | 54 Ų | 54 | 40.9 Ų | 40.9 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | trans | -64.3 | 140.3 | 172.3 | -56.5 | 176.4 | -38.7 | 0 | 0 | 108.9 | W295 S302 C303 C306 T310 | W295-Q308 HydrophobicContact CH2-CB 3.66Å; W295-Q308 HydrophobicContact CH2-CG 3.46Å; W295-Q308 VanDerWaalsContact CH2-CG 3.46Å; W295-Q308 HydrophobicContact CZ2-CB 3.92Å; W295-Q308 HydrophobicContact CZ2-CG 3.64Å; W295-Q308 HydrophobicContact CZ3-CB 3.99Å; W295-Q308 HydrophobicContact CZ3-CG 4.28Å; S302-Q308 WeakPolarHBondContact CA-O 3.18Å; S302-Q308 PolarHBondContact OG-O 2.77Å; C303-Q308 PolarHBondContact N-O 2.83Å; C303-Q308 VanDerWaalsContact N-O 3.16Å; C306-Q308 HydrophobicContact CB-CG 3.91Å; C306-Q308 PolarHBondContact O-N 2.83Å; C306-Q308 VanDerWaalsContact SG-CG 3.51Å; C306-Q308 PolarHBondContact SG-OE1 3.46Å; Q308-T310 HydrophobicContact CB-CG2 4.37Å | ||
| 309 | K | 95.6 | Very high | 94 | Very high | 76 Ų | 76 | 37.6 Ų | 37.6 | 33% | 0.33 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 121.1 | 169.5 | -79.2 | 175.9 | 131.1 | -92.5 | 0 | 108.2 | D296 K297 G300 S301 | D296-K309 PolarHBondContact N-O 3.28Å; D296-K309 CarbonylContact O-C 3.54Å; D296-K309 VanDerWaalsContact O-C 3.32Å; D296-K309 WeakPolarHBondContact O-CB 3.24Å; D296-K309 VanDerWaalsContact O-O 3.09Å; K297-K309 VanDerWaalsContact O-CD 3.31Å; K297-K309 WeakPolarHBondContact O-CD 3.3Å; K297-K309 VanDerWaalsContact O-CE 3.32Å; K297-K309 WeakPolarHBondContact O-CE 3.38Å; K297-K309 PolarHBondContact O-NZ 3.27Å; G300-K309 PolarHBondContact O-NZ 3.07Å; S301-K309 WeakPolarHBondContact O-CA 3.3Å |
| 310 | T | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 155.3 | -167.4 | 42.6 | 0 | 0 | 0 | 0 | 109.2 | K293 I294 W295 S301 Q308 D312 K314 | K293-T310 HydrophobicContact CB-CG2 3.96Å; K293-T310 HydrophobicContact CD-CG2 4.25Å; I294-T310 CarbonylContact O-C 3.5Å; I294-T310 WeakPolarHBondContact O-CA 3.31Å; I294-T310 VanDerWaalsContact O-CB 3.24Å; I294-T310 WeakPolarHBondContact O-CB 3.2Å; I294-T310 WeakPolarHBondContact O-CG2 3.5Å; W295-T310 HydrophobicContact CB-CG2 4.44Å; W295-T310 HydrophobicContact CD2-CG2 3.85Å; W295-T310 HydrophobicContact CE3-CG2 4.38Å; W295-T310 HydrophobicContact CG-CG2 3.82Å; S301-T310 PolarHBondContact N-O 2.68Å; S301-T310 VanDerWaalsContact N-O 3.13Å; S301-T310 PolarHBondContact O-N 2.51Å; S301-T310 VanDerWaalsContact O-N 3.11Å; Q308-T310 HydrophobicContact CB-CG2 4.37Å; T310-D312 VanDerWaalsContact C-N 3.34Å; T310-D312 WeakPolarHBondContact CB-OD1 3.38Å; T310-D312 PolarHBondContact OG1-OD1 3.46Å; T310-K314 PolarHBondContact O-NZ 2.67Å; T310-K314 WeakPolarHBondContact OG1-CE 3.43Å; T310-K314 PolarHBondContact OG1-NZ 2.68Å |
| 311 | L | 95.5 | Very high | 93.7 | Very high | 71 Ų | 71 | 44 Ų | 44 | 37% | 0.372 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -82 | -11.4 | -176.8 | -64.8 | 176.3 | 0 | 0 | 0 | 113.9 | N285 I294 D296 N299 | N285-L311 PolarHBondContact ND2-O 2.82Å; I294-L311 HydrophobicContact CG2-CD1 3.94Å; I294-L311 PolarHBondContact O-N 3.32Å; D296-L311 HydrophobicContact CB-CD1 4.17Å; D296-L311 HydrophobicContact CB-CD2 3.66Å; D296-L311 HydrophobicContact CB-CG 3.68Å; N299-L311 HydrophobicContact CB-CD2 4.29Å |
| 312 | D | 95.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -56.6 | 144.5 | 178.2 | 62.4 | -37.9 | 0 | 0 | 0 | 112.9 | N285 A287 T310 K314 C330 | N285-D312 CarbonylContact O-C 3.59Å; N285-D312 VanDerWaalsContact O-CA 3.25Å; N285-D312 WeakPolarHBondContact O-CA 3.48Å; N285-D312 WeakPolarHBondContact O-CB 3.4Å; A287-D312 HydrophobicContact CB-CB 3.73Å; T310-D312 VanDerWaalsContact C-N 3.34Å; T310-D312 WeakPolarHBondContact CB-OD1 3.38Å; T310-D312 PolarHBondContact OG1-OD1 3.46Å; D312-K314 PolarHBondContact O-NZ 3.4Å; D312-K314 VanDerWaalsContact OD1-CE 3.28Å; D312-K314 WeakPolarHBondContact OD1-CE 3.49Å; D312-K314 IonicContact OD1-NZ 3.22Å; D312-K314 PolarHBondContact OD1-NZ 2.87Å; D312-C330 WeakPolarHBondContact OD2-CB 3.48Å |
| 313 | T | 94.8 | Very high | 93.1 | Very high | 16 Ų | 16 | 46.5 Ų | 46.5 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | trans | -65.4 | 139.9 | 175.5 | -48.7 | 0 | 0 | 0 | 0 | 109.9 | D282 N285 L346 | D282-T313 HydrophobicContact CB-CG2 4.18Å; D282-T313 WeakPolarHBondContact O-CB 3.4Å; D282-T313 WeakPolarHBondContact O-CG2 3.35Å; D282-T313 PolarHBondContact O-OG1 3.04Å; N285-T313 WeakPolarHBondContact CB-OG1 3.22Å; N285-T313 PolarHBondContact ND2-N 2.9Å; N285-T313 VanDerWaalsContact ND2-N 3.13Å; N285-T313 PolarHBondContact ND2-OG1 3.49Å; N285-T313 PolarHBondContact O-N 3.39Å; T313-L346 HydrophobicContact CG2-CD1 3.77Å | ||
| 314 | K | 95.1 | Very high | 92.7 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | trans | -129.4 | 150.6 | -175.1 | -66.9 | 171.6 | -167 | 70.6 | 0 | 109.6 | S301 C303 T310 D312 Q328 Y329 C330 | S301-K314 WeakPolarHBondContact O-CE 3.36Å; S301-K314 PolarHBondContact O-NZ 2.85Å; S301-K314 PolarHBondContact OG-NZ 3.03Å; C303-K314 HydrophobicContact CB-CD 4.31Å; T310-K314 PolarHBondContact O-NZ 2.67Å; T310-K314 WeakPolarHBondContact OG1-CE 3.43Å; T310-K314 PolarHBondContact OG1-NZ 2.68Å; D312-K314 PolarHBondContact O-NZ 3.4Å; D312-K314 VanDerWaalsContact OD1-CE 3.28Å; D312-K314 WeakPolarHBondContact OD1-CE 3.49Å; D312-K314 IonicContact OD1-NZ 3.22Å; D312-K314 PolarHBondContact OD1-NZ 2.87Å; K314-Q328 HydrophobicContact CB-CB 4.19Å; K314-Y329 CarbonylContact C-O 3.6Å; K314-Y329 VanDerWaalsContact CA-O 3.22Å; K314-Y329 WeakPolarHBondContact CA-O 3.26Å; K314-Y329 WeakPolarHBondContact CB-O 3.26Å; K314-C330 HydrophobicContact CG-CB 4.14Å | ||
| 315 | T | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -51.8 | 152.3 | 177.6 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | G327 Q328 Y329 L334 V342 V345 W351 | T315-G327 PolarHBondContact OG1-O 2.94Å; T315-Q328 WeakPolarHBondContact O-CA 3.5Å; T315-Y329 PolarHBondContact N-O 2.97Å; T315-Y329 PolarHBondContact OG1-N 3.32Å; T315-L334 HydrophobicContact CG2-CD2 3.86Å; T315-V342 HydrophobicContact CG2-CB 4.43Å; T315-V342 HydrophobicContact CG2-CG1 4.2Å; T315-V342 HydrophobicContact CG2-CG2 3.76Å; T315-V345 HydrophobicContact CG2-CB 4.45Å; T315-V345 HydrophobicContact CG2-CG1 3.5Å; T315-W351 HydrophobicContact CG2-CH2 3.87Å; T315-W351 HydrophobicContact CG2-CZ2 4.25Å; T315-W351 HydrophobicContact CG2-CZ3 4.29Å; T315-W351 WeakPolarHBondContact OG1-CH2 3.29Å | ||
| 316 | V | 93.3 | Very high | 92.3 | Very high | 34 Ų | 34 | 53.4 Ų | 53.4 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | trans | -125 | 122.3 | 171.3 | -167.7 | 0 | 0 | 0 | 0 | 108.4 | V272 | V272-V316 HydrophobicContact CB-CG1 4.1Å; V272-V316 HydrophobicContact CG1-CG1 3.7Å; V272-V316 HydrophobicContact CG2-CG1 3.78Å | ||
| 317 | C | 93.8 | Very high | 92.3 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | trans | -79.9 | 123.5 | -176.5 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | S319 C322 W351 C353 C356 | C317-S319 PolarHBondContact SG-OG 2.91Å; C317-C322 VanDerWaalsContact CB-SG 3.59Å; C317-C322 VanDerWaalsContact SG-SG 3.64Å; C317-W351 HydrophobicContact CB-CE3 4.4Å; C317-W351 HydrophobicContact CB-CZ3 4.09Å; C317-C353 HydrophobicContact CB-CB 3.91Å; C317-C353 PolarHBondContact SG-N 2.73Å; C317-C353 VanDerWaalsContact SG-SG 3.68Å; C317-C356 VanDerWaalsContact SG-SG 3.66Å | ||
| 318 | R | 90.9 | Very high | 92.4 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 19% | 0.185 | 25% | 0.253 | C | S | . | . | trans | -97.2 | -13.5 | -173.9 | -64.3 | -177.6 | 173.5 | 108.7 | -1.9 | 114.1 | G320 V345 L346 D348 P349 W351 | R318-G320 PolarHBondContact O-N 3.31Å; R318-V345 PolarHBondContact NH1-O 3.35Å; R318-L346 VanDerWaalsContact CZ-O 3.29Å; R318-L346 PolarHBondContact NH1-O 3.41Å; R318-L346 PolarHBondContact NH2-O 3.42Å; R318-D348 PolarHBondContact NH1-O 3.19Å; R318-P349 WeakPolarHBondContact CB-O 3.43Å; R318-P349 WeakPolarHBondContact CD-O 3.46Å; R318-W351 PolarHBondContact N-O 3.1Å | ||
| 319 | S | 90.1 | Very high | 92.5 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 24% | 0.238 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -59.2 | -1 | 179.1 | 67.2 | 0 | 0 | 0 | 0 | 118 | C317 Y321 C356 | C317-S319 PolarHBondContact SG-OG 2.91Å; S319-Y321 WeakPolarHBondContact O-CD2 3.11Å; S319-Y321 PolarHBondContact O-N 3.06Å; S319-C356 WeakPolarHBondContact OG-CB 3.44Å; S319-C356 PolarHBondContact OG-SG 2.73Å |
| 320 | G | 88.1 | Confident | 92.5 | Very high | 65 Ų | 65 | 41 Ų | 41 | 67% | 0.67 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 71.2 | -30.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | R318 C322 | R318-G320 PolarHBondContact O-N 3.31Å; G320-C322 VanDerWaalsContact C-N 3.31Å; G320-C322 PolarHBondContact O-N 3.1Å |
| 321 | Y | 88.6 | Confident | 92.5 | Very high | 208 Ų | 208 | 41 Ų | 41 | 82% | 0.816 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -67.9 | -22.8 | -175 | -61 | -72.7 | 0 | 0 | 0 | 114.9 | S319 | S319-Y321 WeakPolarHBondContact O-CD2 3.11Å; S319-Y321 PolarHBondContact O-N 3.06Å |
| 322 | C | 90.2 | Very high | 92.5 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 9% | 0.088 | 21% | 0.211 | C | C | . | . | trans | -127.7 | 153.6 | 179.7 | 92.6 | 0 | 0 | 0 | 0 | 112.5 | C317 G320 K326 C356 | C317-C322 VanDerWaalsContact CB-SG 3.59Å; C317-C322 VanDerWaalsContact SG-SG 3.64Å; G320-C322 VanDerWaalsContact C-N 3.31Å; G320-C322 PolarHBondContact O-N 3.1Å; C322-K326 HydrophobicContact CB-CB 3.79Å; C322-K326 HydrophobicContact CB-CD 3.95Å; C322-C356 VanDerWaalsContact SG-SG 3.68Å | ||
| 323 | V | 86.6 | Confident | 92.6 | Very high | 109 Ų | 109 | 38.8 Ų | 38.8 | 66% | 0.661 | 22% | 0.216 | S | C | * | . | trans | -135.3 | 147.2 | -174.5 | -66.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 324 | G | 87.2 | Confident | 92.6 | Very high | 16 Ų | 16 | 38 Ų | 38 | 17% | 0.165 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | 58 | -139 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | K326 G327 | G324-K326 PolarHBondContact O-N 3.08Å; G324-G327 PolarHBondContact O-N 3.13Å |
| 325 | V | 89.4 | Confident | 92.7 | Very high | 63 Ų | 63 | 41 Ų | 41 | 38% | 0.382 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -53.2 | -22.1 | -173.2 | 177.6 | 0 | 0 | 0 | 0 | 114.5 | H304 G327 Q328 | H304-V325 WeakPolarHBondContact CB-O 3.32Å; V325-G327 PolarHBondContact O-N 2.7Å; V325-Q328 PolarHBondContact O-N 2.88Å |
| 326 | K | 91.5 | Very high | 92.7 | Very high | 115 Ų | 115 | 42.3 Ų | 42.3 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -59.1 | -32.7 | 172.3 | -71.9 | -172.6 | 178.9 | -175.1 | 0 | 113.1 | C322 G324 I355 | C322-K326 HydrophobicContact CB-CB 3.79Å; C322-K326 HydrophobicContact CB-CD 3.95Å; G324-K326 PolarHBondContact O-N 3.08Å; K326-I355 HydrophobicContact CB-CD1 4.06Å; K326-I355 HydrophobicContact CG-CD1 4.46Å; K326-I355 WeakPolarHBondContact O-CD1 3.4Å |
| 327 | G | 93.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -89.9 | -6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | T315 G324 V325 | T315-G327 PolarHBondContact OG1-O 2.94Å; G324-G327 PolarHBondContact O-N 3.13Å; V325-G327 PolarHBondContact O-N 2.7Å |
| 328 | Q | 94.9 | Very high | 92.9 | Very high | 43 Ų | 43 | 42.1 Ų | 42.1 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | trans | -102.1 | 112.4 | -163.9 | -65 | -174.1 | -50.9 | 0 | 0 | 113.1 | C303 H304 K314 T315 V325 | C303-Q328 CarbonylContact C-O 3.25Å; C303-Q328 WeakPolarHBondContact CA-O 3.2Å; H304-Q328 PolarHBondContact N-O 3.42Å; K314-Q328 HydrophobicContact CB-CB 4.19Å; T315-Q328 WeakPolarHBondContact O-CA 3.5Å; V325-Q328 PolarHBondContact O-N 2.88Å | ||
| 329 | Y | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -121.6 | 138.9 | 175.2 | -66.7 | -110 | 0 | 0 | 0 | 109.1 | H304 Q305 K314 T315 L334 Y338 W351 C353 P354 I355 C360 | H304-Y329 HydrophobicContact CB-CE1 4.48Å; H304-Y329 HydrophobicContact CB-CE2 4.15Å; H304-Y329 AromaticContact CD2-CZ 3.72Å; H304-Y329 PolarHBondContact CD2-OH 3.33Å; H304-Y329 VanDerWaalsContact CD2-OH 3.31Å; Q305-Y329 HydrophobicContact CB-CD1 4.05Å; Q305-Y329 HydrophobicContact CB-CE1 4.08Å; K314-Y329 CarbonylContact C-O 3.6Å; K314-Y329 VanDerWaalsContact CA-O 3.22Å; K314-Y329 WeakPolarHBondContact CA-O 3.26Å; K314-Y329 WeakPolarHBondContact CB-O 3.26Å; T315-Y329 PolarHBondContact N-O 2.97Å; T315-Y329 PolarHBondContact OG1-N 3.32Å; Y329-L334 HydrophobicContact CD1-CD1 4.34Å; Y329-L334 HydrophobicContact CG-CD1 4.21Å; Y329-Y338 HydrophobicContact CD1-CE2 4.28Å; Y329-Y338 AromaticContact CE1-CE2 3.8Å; Y329-Y338 HydrophobicContact CE1-CE2 3.8Å; Y329-W351 HydrophobicContact CD2-CH2 4.38Å; Y329-C353 HydrophobicContact CE2-CB 4.06Å; Y329-P354 HydrophobicContact CE1-CG 4.42Å; Y329-I355 WeakPolarHBondContact OH-CG1 3.25Å; Y329-C360 PolarHBondContact OH-SG 3.4Å; Y329-C360 VanDerWaalsContact OH-SG 3.34Å | ||
| 330 | C | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -89.9 | 153.6 | 170.4 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | K293 C303 D312 K314 P332 C333 L334 | K293-C330 PolarHBondContact NZ-SG 3.29Å; C303-C330 HydrophobicContact CB-CB 4.32Å; C303-C330 PolarHBondContact SG-SG 3.38Å; D312-C330 WeakPolarHBondContact OD2-CB 3.48Å; K314-C330 HydrophobicContact CG-CB 4.14Å; C330-P332 VanDerWaalsContact C-CD 3.43Å; C330-P332 VanDerWaalsContact O-N 3.16Å; C330-C333 WeakPolarHBondContact O-CA 3.34Å; C330-C333 PolarHBondContact O-N 2.91Å; C330-C333 VanDerWaalsContact SG-SG 3.67Å; C330-L334 PolarHBondContact O-N 3.45Å | ||
| 331 | G | 96.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -41.8 | -51.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A287 C333 L334 K335 | A287-G331 WeakPolarHBondContact O-CA 3.21Å; G331-C333 PolarHBondContact O-N 3.39Å; G331-L334 PolarHBondContact O-N 2.77Å; G331-K335 PolarHBondContact O-N 3.39Å; G331-K335 VanDerWaalsContact O-N 3.07Å |
| 332 | P | 96 | Very high | 94 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 6% | 0.058 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76 | -10.6 | -174.3 | -12.1 | 31 | 0 | 0 | 0 | 112.7 | A287 R289 C330 N336 | A287-P332 WeakPolarHBondContact O-CD 3.41Å; R289-P332 VanDerWaalsContact C-CG 3.48Å; C330-P332 VanDerWaalsContact C-CD 3.43Å; C330-P332 VanDerWaalsContact O-N 3.16Å; P332-N336 PolarHBondContact O-ND2 2.78Å |
| 333 | C | 95.9 | Very high | 94.2 | Very high | 18 Ų | 18 | 35.5 Ų | 35.5 | 12% | 0.122 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -99.4 | -27.1 | 174.9 | -73.4 | 0 | 0 | 0 | 0 | 113.2 | Q305 C306 C330 G331 | Q305-C333 HydrophobicContact CB-CB 3.9Å; Q305-C333 HydrophobicContact CG-CB 3.94Å; C306-C333 VanDerWaalsContact SG-SG 3.63Å; C330-C333 WeakPolarHBondContact O-CA 3.34Å; C330-C333 PolarHBondContact O-N 2.91Å; C330-C333 VanDerWaalsContact SG-SG 3.67Å; G331-C333 PolarHBondContact O-N 3.39Å |
| 334 | L | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74.7 | -62.9 | 172.6 | -167.8 | 72 | 0 | 0 | 0 | 109.4 | T315 Y329 C330 G331 N336 R337 Y338 E340 V342 V345 W351 P354 | T315-L334 HydrophobicContact CG2-CD2 3.86Å; Y329-L334 HydrophobicContact CD1-CD1 4.34Å; Y329-L334 HydrophobicContact CG-CD1 4.21Å; C330-L334 PolarHBondContact O-N 3.45Å; G331-L334 PolarHBondContact O-N 2.77Å; L334-N336 PolarHBondContact O-N 3.38Å; L334-R337 PolarHBondContact O-N 3.21Å; L334-R337 VanDerWaalsContact O-N 3.07Å; L334-Y338 HydrophobicContact CD1-CD2 4.23Å; L334-Y338 PolarHBondContact O-N 2.98Å; L334-E340 CarbonylContact C-O 3.44Å; L334-E340 HydrophobicContact CD1-CB 4.35Å; L334-E340 HydrophobicContact CD2-CB 3.68Å; L334-E340 WeakPolarHBondContact CD2-O 3.01Å; L334-E340 HydrophobicContact CG-CB 3.81Å; L334-E340 VanDerWaalsContact CG-O 3.31Å; L334-E340 WeakPolarHBondContact CG-O 3.03Å; L334-V342 HydrophobicContact CB-CG2 4.01Å; L334-V342 HydrophobicContact CD2-CG2 3.7Å; L334-V345 HydrophobicContact CD2-CB 4.41Å; L334-V345 HydrophobicContact CD2-CG2 4.05Å; L334-W351 HydrophobicContact CD1-CZ2 4.15Å; L334-P354 HydrophobicContact CD1-CG 4.48Å |
| 335 | K | 95.9 | Very high | 95 | Very high | 72 Ų | 72 | 34.2 Ų | 34.2 | 31% | 0.313 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -51.7 | -55 | -175.3 | -167.2 | -172 | -176.6 | -167.5 | 0 | 112.8 | Y288 G331 R337 G339 E340 | Y288-K335 PolarHBondContact OH-NZ 3.49Å; G331-K335 PolarHBondContact O-N 3.39Å; G331-K335 VanDerWaalsContact O-N 3.07Å; K335-R337 PolarHBondContact O-N 3.25Å; K335-R337 VanDerWaalsContact O-N 3.14Å; K335-G339 WeakPolarHBondContact O-CA 3.45Å; K335-G339 PolarHBondContact O-N 3.17Å; K335-E340 WeakPolarHBondContact CA-O 3.28Å; K335-E340 PolarHBondContact N-O 2.75Å; K335-E340 VanDerWaalsContact N-O 3.11Å |
| 336 | N | 95.5 | Very high | 95.2 | Very high | 28 Ų | 28 | 31.4 Ų | 31.4 | 15% | 0.15 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72 | -7.8 | -174.2 | -62.8 | -59.6 | 0 | 0 | 0 | 114.7 | P332 L334 V378 R382 V389 | P332-N336 PolarHBondContact O-ND2 2.78Å; L334-N336 PolarHBondContact O-N 3.38Å; N336-V378 HydrophobicContact CB-CG1 3.92Å; N336-V378 HydrophobicContact CB-CG2 4.31Å; N336-R382 PolarHBondContact OD1-NH2 2.79Å; N336-V389 PolarHBondContact O-N 2.79Å |
| 337 | R | 95.1 | Very high | 95.3 | Very high | 25 Ų | 25 | 30.1 Ų | 30.1 | 9% | 0.094 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -120.5 | -18.5 | 178.9 | -82 | -174.5 | 166.7 | -113.6 | -3.8 | 115.7 | L334 K335 N361 G375 V378 V389 H390 | L334-R337 PolarHBondContact O-N 3.21Å; L334-R337 VanDerWaalsContact O-N 3.07Å; K335-R337 PolarHBondContact O-N 3.25Å; K335-R337 VanDerWaalsContact O-N 3.14Å; R337-N361 PolarHBondContact NH1-O 3.46Å; R337-N361 PolarHBondContact NH1-OD1 3.46Å; R337-N361 PolarHBondContact O-ND2 2.92Å; R337-G375 PolarHBondContact NH2-O 3.31Å; R337-V378 HydrophobicContact CG-CG2 4.4Å; R337-V389 HydrophobicContact CG-CB 4.15Å; R337-V389 HydrophobicContact CG-CG2 4.25Å; R337-H390 WeakPolarHBondContact O-CB 3.18Å; R337-H390 PolarHBondContact O-N 3.28Å; R337-H390 VanDerWaalsContact O-N 3.09Å |
| 338 | Y | 95.6 | Very high | 95.3 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -139.4 | 3.3 | -174.5 | -52.4 | -82.8 | 0 | 0 | 0 | 112.8 | Q305 Y329 L334 E340 P354 M359 N361 H390 | Q305-Y338 PolarHBondContact OE1-OH 3.02Å; Q305-Y338 VanDerWaalsContact OE1-OH 3.09Å; Y329-Y338 HydrophobicContact CD1-CE2 4.28Å; Y329-Y338 AromaticContact CE1-CE2 3.8Å; Y329-Y338 HydrophobicContact CE1-CE2 3.8Å; L334-Y338 HydrophobicContact CD1-CD2 4.23Å; L334-Y338 PolarHBondContact O-N 2.98Å; Y338-E340 PolarHBondContact O-N 3.39Å; Y338-P354 HydrophobicContact CD1-CB 3.83Å; Y338-P354 HydrophobicContact CD1-CG 3.7Å; Y338-P354 HydrophobicContact CD2-CG 4.01Å; Y338-P354 HydrophobicContact CE1-CB 3.49Å; Y338-P354 VanDerWaalsContact CE1-CB 3.49Å; Y338-P354 HydrophobicContact CE1-CG 3.8Å; Y338-P354 HydrophobicContact CE2-CB 4.42Å; Y338-P354 HydrophobicContact CE2-CG 4.12Å; Y338-P354 HydrophobicContact CG-CB 4.42Å; Y338-P354 HydrophobicContact CG-CG 3.81Å; Y338-M359 HydrophobicContact CD1-CG 4.27Å; Y338-M359 HydrophobicContact CE1-CG 4.32Å; Y338-N361 PolarHBondContact OH-N 2.95Å; Y338-N361 PolarHBondContact OH-OD1 2.92Å; Y338-H390 HydrophobicContact CD1-CB 4.47Å |
| 339 | G | 94.8 | Very high | 95.1 | Very high | 39 Ų | 39 | 34.5 Ų | 34.5 | 40% | 0.402 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 77.9 | -35 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K335 | K335-G339 WeakPolarHBondContact O-CA 3.45Å; K335-G339 PolarHBondContact O-N 3.17Å |
| 340 | E | 95.9 | Very high | 95 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | trans | -61.9 | 138.8 | -175.1 | -61.7 | 168.3 | -97.8 | 0 | 0 | 113.9 | L334 K335 Y338 V345 W351 R357 | L334-E340 CarbonylContact C-O 3.44Å; L334-E340 HydrophobicContact CD1-CB 4.35Å; L334-E340 HydrophobicContact CD2-CB 3.68Å; L334-E340 WeakPolarHBondContact CD2-O 3.01Å; L334-E340 HydrophobicContact CG-CB 3.81Å; L334-E340 VanDerWaalsContact CG-O 3.31Å; L334-E340 WeakPolarHBondContact CG-O 3.03Å; K335-E340 WeakPolarHBondContact CA-O 3.28Å; K335-E340 PolarHBondContact N-O 2.75Å; K335-E340 VanDerWaalsContact N-O 3.11Å; Y338-E340 PolarHBondContact O-N 3.39Å; E340-V345 HydrophobicContact CB-CG2 4.11Å; E340-W351 PolarHBondContact OE2-NE1 3.48Å; E340-R357 VanDerWaalsContact CD-NH1 3.26Å; E340-R357 IonicContact OE1-CZ 3.09Å; E340-R357 IonicContact OE1-NH1 2.79Å; E340-R357 PolarHBondContact OE1-NH1 3.07Å; E340-R357 IonicContact OE1-NH2 3.73Å; E340-R357 IonicContact OE2-CZ 3.76Å; E340-R357 IonicContact OE2-NH1 3.78Å; E340-R357 PolarHBondContact OE2-NH1 3.05Å; E340-R357 IonicContact OE2-NH2 3.81Å; E340-R357 PolarHBondContact OE2-NH2 3.3Å | ||
| 341 | D | 95.5 | Very high | 94.9 | Very high | 38 Ų | 38 | 40 Ų | 40 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | trans | -94.2 | 147.7 | 171.6 | -176.5 | 51.4 | 0 | 0 | 0 | 112 | R343 T344 V345 | D341-R343 WeakPolarHBondContact OD2-CB 3.34Å; D341-R343 PolarHBondContact OD2-N 3.22Å; D341-R343 VanDerWaalsContact OD2-N 3.14Å; D341-T344 PolarHBondContact O-OG1 3.33Å; D341-T344 VanDerWaalsContact O-OG1 3.11Å; D341-V345 VanDerWaalsContact O-CB 3.3Å; D341-V345 WeakPolarHBondContact O-CB 3.41Å; D341-V345 VanDerWaalsContact O-CG2 3.24Å; D341-V345 WeakPolarHBondContact O-CG2 3.32Å; D341-V345 PolarHBondContact O-N 3.25Å | ||
| 342 | V | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.7 | -27.9 | -175 | 170.4 | 0 | 0 | 0 | 0 | 112.5 | V286 T315 L334 L346 | V286-V342 HydrophobicContact CG1-CB 3.74Å; V286-V342 HydrophobicContact CG1-CG1 3.84Å; V286-V342 HydrophobicContact CG2-CG1 3.87Å; T315-V342 HydrophobicContact CG2-CB 4.43Å; T315-V342 HydrophobicContact CG2-CG1 4.2Å; T315-V342 HydrophobicContact CG2-CG2 3.76Å; L334-V342 HydrophobicContact CB-CG2 4.01Å; L334-V342 HydrophobicContact CD2-CG2 3.7Å; V342-L346 HydrophobicContact CG1-CD1 3.73Å; V342-L346 HydrophobicContact CG1-CG 4.06Å; V342-L346 VanDerWaalsContact O-CB 3.32Å; V342-L346 WeakPolarHBondContact O-CB 3.31Å; V342-L346 WeakPolarHBondContact O-CD1 3.22Å; V342-L346 WeakPolarHBondContact O-CG 3.48Å; V342-L346 PolarHBondContact O-N 2.97Å |
| 343 | R | 94.6 | Very high | 94.9 | Very high | 114 Ų | 114 | 41 Ų | 41 | 43% | 0.43 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.5 | -46.1 | 178.3 | -68 | -176.5 | 164.8 | -156.6 | -3.9 | 111.8 | L283 V286 D341 L346 L347 | L283-R343 HydrophobicContact CD2-CB 4.38Å; L283-R343 HydrophobicContact CD2-CG 4.39Å; L283-R343 VanDerWaalsContact O-CZ 3.23Å; L283-R343 PolarHBondContact O-NE 3.16Å; L283-R343 PolarHBondContact O-NH2 3.01Å; V286-R343 HydrophobicContact CB-CG 4.45Å; V286-R343 HydrophobicContact CG2-CG 4.27Å; D341-R343 WeakPolarHBondContact OD2-CB 3.34Å; D341-R343 PolarHBondContact OD2-N 3.22Å; D341-R343 VanDerWaalsContact OD2-N 3.14Å; R343-L346 PolarHBondContact O-N 2.92Å; R343-L347 PolarHBondContact O-N 2.98Å |
| 344 | T | 94.6 | Very high | 94.8 | Very high | 93 Ų | 93 | 40.2 Ų | 40.2 | 57% | 0.571 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65.3 | -42.3 | 177 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | D341 L346 L347 D348 | D341-T344 PolarHBondContact O-OG1 3.33Å; D341-T344 VanDerWaalsContact O-OG1 3.11Å; T344-L346 PolarHBondContact O-N 3.46Å; T344-L347 PolarHBondContact O-N 2.93Å; T344-D348 PolarHBondContact O-N 2.84Å |
| 345 | V | 94.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | 177.5 | 158.5 | 0 | 0 | 0 | 0 | 113.6 | T315 R318 L334 E340 D341 L347 D348 W351 | T315-V345 HydrophobicContact CG2-CB 4.45Å; T315-V345 HydrophobicContact CG2-CG1 3.5Å; R318-V345 PolarHBondContact NH1-O 3.35Å; L334-V345 HydrophobicContact CD2-CB 4.41Å; L334-V345 HydrophobicContact CD2-CG2 4.05Å; E340-V345 HydrophobicContact CB-CG2 4.11Å; D341-V345 VanDerWaalsContact O-CB 3.3Å; D341-V345 WeakPolarHBondContact O-CB 3.41Å; D341-V345 VanDerWaalsContact O-CG2 3.24Å; D341-V345 WeakPolarHBondContact O-CG2 3.32Å; D341-V345 PolarHBondContact O-N 3.25Å; V345-L347 VanDerWaalsContact C-N 3.26Å; V345-L347 PolarHBondContact O-N 3.42Å; V345-D348 PolarHBondContact O-N 3.42Å; V345-W351 HydrophobicContact CB-CD2 4.46Å; V345-W351 HydrophobicContact CB-CG 4.38Å; V345-W351 HydrophobicContact CG1-CB 4.47Å; V345-W351 HydrophobicContact CG1-CD2 3.35Å; V345-W351 HydrophobicContact CG1-CE3 3.81Å; V345-W351 HydrophobicContact CG1-CG 3.63Å; V345-W351 HydrophobicContact CG1-CH2 4.18Å; V345-W351 HydrophobicContact CG1-CZ2 3.77Å; V345-W351 HydrophobicContact CG1-CZ3 4.21Å; V345-W351 HydrophobicContact CG2-CG 4.3Å; V345-W351 VanDerWaalsContact CG2-NE1 3.29Å |
| 346 | L | 93.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -35.4 | 175.9 | -81.9 | 169.2 | 0 | 0 | 0 | 111.5 | I278 L283 V286 T313 R318 V342 R343 T344 | I278-L346 HydrophobicContact CD1-CB 4.09Å; I278-L346 HydrophobicContact CD1-CD2 3.94Å; I278-L346 WeakPolarHBondContact CD1-O 3.17Å; I278-L346 HydrophobicContact CG2-CB 4.43Å; L283-L346 HydrophobicContact CD2-CB 4.02Å; L283-L346 HydrophobicContact CD2-CD1 3.92Å; V286-L346 HydrophobicContact CG2-CD1 3.99Å; T313-L346 HydrophobicContact CG2-CD1 3.77Å; R318-L346 VanDerWaalsContact CZ-O 3.29Å; R318-L346 PolarHBondContact NH1-O 3.41Å; R318-L346 PolarHBondContact NH2-O 3.42Å; V342-L346 HydrophobicContact CG1-CD1 3.73Å; V342-L346 HydrophobicContact CG1-CG 4.06Å; V342-L346 VanDerWaalsContact O-CB 3.32Å; V342-L346 WeakPolarHBondContact O-CB 3.31Å; V342-L346 WeakPolarHBondContact O-CD1 3.22Å; V342-L346 WeakPolarHBondContact O-CG 3.48Å; V342-L346 PolarHBondContact O-N 2.97Å; R343-L346 PolarHBondContact O-N 2.92Å; T344-L346 PolarHBondContact O-N 3.46Å |
| 347 | L | 93.6 | Very high | 94.6 | Very high | 88 Ų | 88 | 44 Ų | 44 | 46% | 0.461 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -83.4 | -13.9 | 179.6 | -62.5 | 172.4 | 0 | 0 | 0 | 114.5 | V275 L283 R343 T344 V345 P349 | V275-L347 HydrophobicContact CG1-CD2 4.5Å; V275-L347 WeakPolarHBondContact CG1-O 3.39Å; L283-L347 HydrophobicContact CD1-CD1 4.44Å; L283-L347 HydrophobicContact CD1-CD2 4.48Å; R343-L347 PolarHBondContact O-N 2.98Å; T344-L347 PolarHBondContact O-N 2.93Å; V345-L347 VanDerWaalsContact C-N 3.26Å; V345-L347 PolarHBondContact O-N 3.42Å; L347-P349 VanDerWaalsContact O-CD 3.3Å; L347-P349 WeakPolarHBondContact O-CD 3.48Å |
| 348 | D | 93.3 | Very high | 94.5 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | trans | -80.9 | 111.2 | 178.4 | 169.5 | 19 | 0 | 0 | 0 | 112.3 | R318 T344 V345 T350 W351 | R318-D348 PolarHBondContact NH1-O 3.19Å; T344-D348 PolarHBondContact O-N 2.84Å; V345-D348 PolarHBondContact O-N 3.42Å; D348-T350 PolarHBondContact O-N 3.49Å; D348-T350 WeakPolarHBondContact OD1-CA 3.41Å; D348-T350 WeakPolarHBondContact OD1-CB 3.39Å; D348-T350 PolarHBondContact OD1-N 3Å; D348-T350 PolarHBondContact OD1-OG1 3.08Å; D348-T350 PolarHBondContact OD2-OG1 3.08Å; D348-W351 HydrophobicContact CB-CB 4.1Å; D348-W351 PolarHBondContact O-N 2.74Å; D348-W351 PolarHBondContact OD1-N 3.04Å; D348-W351 VanDerWaalsContact OD2-CA 3.27Å; D348-W351 WeakPolarHBondContact OD2-CA 3.42Å; D348-W351 VanDerWaalsContact OD2-CB 3.3Å; D348-W351 WeakPolarHBondContact OD2-CB 3.08Å; D348-W351 PolarHBondContact OD2-N 2.93Å | ||
| 349 | P | 92 | Very high | 94.4 | Very high | 89 Ų | 89 | 47.9 Ų | 47.9 | 58% | 0.578 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22.2 | 178.9 | 28.4 | -34.4 | 0 | 0 | 0 | 113.3 | V275 R318 L347 | V275-P349 HydrophobicContact CG2-CB 3.83Å; R318-P349 WeakPolarHBondContact CB-O 3.43Å; R318-P349 WeakPolarHBondContact CD-O 3.46Å; L347-P349 VanDerWaalsContact O-CD 3.3Å; L347-P349 WeakPolarHBondContact O-CD 3.48Å |
| 350 | T | 93.5 | Very high | 94.3 | Very high | 113 Ų | 113 | 46.2 Ų | 46.2 | 69% | 0.693 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -4.8 | -178.4 | 69.4 | 0 | 0 | 0 | 0 | 113.4 | D348 S352 | D348-T350 PolarHBondContact O-N 3.49Å; D348-T350 WeakPolarHBondContact OD1-CA 3.41Å; D348-T350 WeakPolarHBondContact OD1-CB 3.39Å; D348-T350 PolarHBondContact OD1-N 3Å; D348-T350 PolarHBondContact OD1-OG1 3.08Å; D348-T350 PolarHBondContact OD2-OG1 3.08Å; T350-S352 PolarHBondContact O-N 3.02Å; T350-S352 VanDerWaalsContact O-N 3.14Å |
| 351 | W | 94.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 118.3 | -165.6 | -169.4 | 77.8 | 0 | 0 | 0 | 114.7 | T315 C317 R318 Y329 L334 E340 V345 D348 C353 | T315-W351 HydrophobicContact CG2-CH2 3.87Å; T315-W351 HydrophobicContact CG2-CZ2 4.25Å; T315-W351 HydrophobicContact CG2-CZ3 4.29Å; T315-W351 WeakPolarHBondContact OG1-CH2 3.29Å; C317-W351 HydrophobicContact CB-CE3 4.4Å; C317-W351 HydrophobicContact CB-CZ3 4.09Å; R318-W351 PolarHBondContact N-O 3.1Å; Y329-W351 HydrophobicContact CD2-CH2 4.38Å; L334-W351 HydrophobicContact CD1-CZ2 4.15Å; E340-W351 PolarHBondContact OE2-NE1 3.48Å; V345-W351 HydrophobicContact CB-CD2 4.46Å; V345-W351 HydrophobicContact CB-CG 4.38Å; V345-W351 HydrophobicContact CG1-CB 4.47Å; V345-W351 HydrophobicContact CG1-CD2 3.35Å; V345-W351 HydrophobicContact CG1-CE3 3.81Å; V345-W351 HydrophobicContact CG1-CG 3.63Å; V345-W351 HydrophobicContact CG1-CH2 4.18Å; V345-W351 HydrophobicContact CG1-CZ2 3.77Å; V345-W351 HydrophobicContact CG1-CZ3 4.21Å; V345-W351 HydrophobicContact CG2-CG 4.3Å; V345-W351 VanDerWaalsContact CG2-NE1 3.29Å; D348-W351 HydrophobicContact CB-CB 4.1Å; D348-W351 PolarHBondContact O-N 2.74Å; D348-W351 PolarHBondContact OD1-N 3.04Å; D348-W351 VanDerWaalsContact OD2-CA 3.27Å; D348-W351 WeakPolarHBondContact OD2-CA 3.42Å; D348-W351 VanDerWaalsContact OD2-CB 3.3Å; D348-W351 WeakPolarHBondContact OD2-CB 3.08Å; D348-W351 PolarHBondContact OD2-N 2.93Å; W351-C353 HydrophobicContact CE3-CB 4.41Å; W351-C353 VanDerWaalsContact CH2-CA 3.49Å; W351-C353 HydrophobicContact CH2-CB 3.36Å; W351-C353 HydrophobicContact CZ2-CB 4.09Å; W351-C353 HydrophobicContact CZ3-CB 3.54Å |
| 352 | S | 95.4 | Very high | 94 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -98.3 | 135 | 169.3 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | T350 R357 | T350-S352 PolarHBondContact O-N 3.02Å; T350-S352 VanDerWaalsContact O-N 3.14Å; S352-R357 PolarHBondContact O-NE 2.99Å; S352-R357 PolarHBondContact O-NH2 2.97Å; S352-R357 VanDerWaalsContact OG-CG 3.27Å; S352-R357 WeakPolarHBondContact OG-CG 3.5Å; S352-R357 PolarHBondContact OG-NE 2.67Å |
| 353 | C | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 160.5 | 177.6 | 77.7 | 0 | 0 | 0 | 0 | 112.2 | C317 Y329 W351 I355 C356 R357 | C317-C353 HydrophobicContact CB-CB 3.91Å; C317-C353 PolarHBondContact SG-N 2.73Å; C317-C353 VanDerWaalsContact SG-SG 3.68Å; Y329-C353 HydrophobicContact CE2-CB 4.06Å; W351-C353 HydrophobicContact CE3-CB 4.41Å; W351-C353 VanDerWaalsContact CH2-CA 3.49Å; W351-C353 HydrophobicContact CH2-CB 3.36Å; W351-C353 HydrophobicContact CZ2-CB 4.09Å; W351-C353 HydrophobicContact CZ3-CB 3.54Å; C353-I355 PolarHBondContact O-N 2.59Å; C353-C356 PolarHBondContact O-N 3.41Å; C353-R357 PolarHBondContact O-N 2.92Å; C353-R357 VanDerWaalsContact O-N 3.11Å |
| 354 | P | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -22.4 | 178.8 | -31.2 | 36.9 | 0 | 0 | 0 | 116 | Y329 L334 Y338 G358 M359 C360 | Y329-P354 HydrophobicContact CE1-CG 4.42Å; L334-P354 HydrophobicContact CD1-CG 4.48Å; Y338-P354 HydrophobicContact CD1-CB 3.83Å; Y338-P354 HydrophobicContact CD1-CG 3.7Å; Y338-P354 HydrophobicContact CD2-CG 4.01Å; Y338-P354 HydrophobicContact CE1-CB 3.49Å; Y338-P354 VanDerWaalsContact CE1-CB 3.49Å; Y338-P354 HydrophobicContact CE1-CG 3.8Å; Y338-P354 HydrophobicContact CE2-CB 4.42Å; Y338-P354 HydrophobicContact CE2-CG 4.12Å; Y338-P354 HydrophobicContact CG-CB 4.42Å; Y338-P354 HydrophobicContact CG-CG 3.81Å; P354-G358 PolarHBondContact O-N 3.16Å; P354-M359 HydrophobicContact CB-CG 3.78Å; P354-M359 HydrophobicContact CB-SD 4.31Å; P354-M359 PolarHBondContact O-N 3.15Å; P354-C360 HydrophobicContact CB-CB 4.31Å; P354-C360 PolarHBondContact O-N 3.29Å; P354-C360 VanDerWaalsContact O-N 3.08Å |
| 355 | I | 94.5 | Very high | 93.6 | Very high | 46 Ų | 46 | 40 Ų | 40 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -44.8 | 172.6 | -45.1 | -176.9 | 0 | 0 | 0 | 111 | H304 K326 Y329 C353 R357 G358 C360 | H304-I355 WeakPolarHBondContact CE1-CD1 3.36Å; K326-I355 HydrophobicContact CB-CD1 4.06Å; K326-I355 HydrophobicContact CG-CD1 4.46Å; K326-I355 WeakPolarHBondContact O-CD1 3.4Å; Y329-I355 WeakPolarHBondContact OH-CG1 3.25Å; C353-I355 PolarHBondContact O-N 2.59Å; I355-R357 VanDerWaalsContact C-N 3.29Å; I355-R357 PolarHBondContact O-N 3.19Å; I355-G358 PolarHBondContact O-N 3.26Å; I355-G358 VanDerWaalsContact O-N 3.16Å; I355-C360 HydrophobicContact CB-CB 4.49Å; I355-C360 HydrophobicContact CG1-CB 4.06Å |
| 356 | C | 94.7 | Very high | 93.4 | Very high | 41 Ų | 41 | 42.7 Ų | 42.7 | 28% | 0.277 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -28 | -179.4 | -63.7 | 0 | 0 | 0 | 0 | 112.4 | C317 S319 C322 C353 G358 | C317-C356 VanDerWaalsContact SG-SG 3.66Å; S319-C356 WeakPolarHBondContact OG-CB 3.44Å; S319-C356 PolarHBondContact OG-SG 2.73Å; C322-C356 VanDerWaalsContact SG-SG 3.68Å; C353-C356 PolarHBondContact O-N 3.41Å; C356-G358 VanDerWaalsContact C-N 3.33Å |
| 357 | R | 94.3 | Very high | 93.4 | Very high | 93 Ų | 93 | 50.5 Ų | 50.5 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -2.9 | 172.1 | -60.2 | 176.9 | -170.2 | 159.3 | 8.3 | 114 | E340 S352 C353 I355 M359 | E340-R357 VanDerWaalsContact CD-NH1 3.26Å; E340-R357 IonicContact OE1-CZ 3.09Å; E340-R357 IonicContact OE1-NH1 2.79Å; E340-R357 PolarHBondContact OE1-NH1 3.07Å; E340-R357 IonicContact OE1-NH2 3.73Å; E340-R357 IonicContact OE2-CZ 3.76Å; E340-R357 IonicContact OE2-NH1 3.78Å; E340-R357 PolarHBondContact OE2-NH1 3.05Å; E340-R357 IonicContact OE2-NH2 3.81Å; E340-R357 PolarHBondContact OE2-NH2 3.3Å; S352-R357 PolarHBondContact O-NE 2.99Å; S352-R357 PolarHBondContact O-NH2 2.97Å; S352-R357 VanDerWaalsContact OG-CG 3.27Å; S352-R357 WeakPolarHBondContact OG-CG 3.5Å; S352-R357 PolarHBondContact OG-NE 2.67Å; C353-R357 PolarHBondContact O-N 2.92Å; C353-R357 VanDerWaalsContact O-N 3.11Å; I355-R357 VanDerWaalsContact C-N 3.29Å; I355-R357 PolarHBondContact O-N 3.19Å; R357-M359 HydrophobicContact CB-CG 4.4Å; R357-M359 HydrophobicContact CB-SD 3.5Å; R357-M359 WeakPolarHBondContact CB-SD 3.24Å; R357-M359 WeakPolarHBondContact CD-SD 3.17Å; R357-M359 HydrophobicContact CG-SD 4.07Å; R357-M359 PolarHBondContact O-N 3.06Å |
| 358 | G | 92.1 | Very high | 93.3 | Very high | 62 Ų | 62 | 54.7 Ų | 54.7 | 64% | 0.639 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -3.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | P354 I355 C356 C360 | P354-G358 PolarHBondContact O-N 3.16Å; I355-G358 PolarHBondContact O-N 3.26Å; I355-G358 VanDerWaalsContact O-N 3.16Å; C356-G358 VanDerWaalsContact C-N 3.33Å; G358-C360 PolarHBondContact O-N 3.49Å |
| 359 | M | 92.9 | Very high | 93.2 | Very high | 58 Ų | 58 | 56.8 Ų | 56.8 | 29% | 0.286 | 31% | 0.305 | S | S | . | . | trans | -90 | 9.5 | -174 | 80 | -138.2 | -62.2 | 0 | 0 | 114.9 | Y338 P354 R357 N361 H390 | Y338-M359 HydrophobicContact CD1-CG 4.27Å; Y338-M359 HydrophobicContact CE1-CG 4.32Å; P354-M359 HydrophobicContact CB-CG 3.78Å; P354-M359 HydrophobicContact CB-SD 4.31Å; P354-M359 PolarHBondContact O-N 3.15Å; R357-M359 HydrophobicContact CB-CG 4.4Å; R357-M359 HydrophobicContact CB-SD 3.5Å; R357-M359 WeakPolarHBondContact CB-SD 3.24Å; R357-M359 WeakPolarHBondContact CD-SD 3.17Å; R357-M359 HydrophobicContact CG-SD 4.07Å; R357-M359 PolarHBondContact O-N 3.06Å; M359-N361 PolarHBondContact O-N 2.99Å; M359-H390 WeakPolarHBondContact CE-NE2 3.22Å | ||
| 360 | C | 94 | Very high | 93.1 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | trans | -70.2 | 92.6 | -169 | -169.4 | 0 | 0 | 0 | 0 | 113.6 | Y329 P354 I355 G358 C362 C365 | Y329-C360 PolarHBondContact OH-SG 3.4Å; Y329-C360 VanDerWaalsContact OH-SG 3.34Å; P354-C360 HydrophobicContact CB-CB 4.31Å; P354-C360 PolarHBondContact O-N 3.29Å; P354-C360 VanDerWaalsContact O-N 3.08Å; I355-C360 HydrophobicContact CB-CB 4.49Å; I355-C360 HydrophobicContact CG1-CB 4.06Å; G358-C360 PolarHBondContact O-N 3.49Å; C360-C362 PolarHBondContact O-N 3.16Å; C360-C365 HydrophobicContact CB-CB 4.1Å | ||
| 361 | N | 92.5 | Very high | 92.9 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | trans | -69.8 | 23.6 | -179.6 | 64.3 | 38.8 | 0 | 0 | 0 | 115.4 | R337 Y338 M359 T374 L393 | R337-N361 PolarHBondContact NH1-O 3.46Å; R337-N361 PolarHBondContact NH1-OD1 3.46Å; R337-N361 PolarHBondContact O-ND2 2.92Å; Y338-N361 PolarHBondContact OH-N 2.95Å; Y338-N361 PolarHBondContact OH-OD1 2.92Å; M359-N361 PolarHBondContact O-N 2.99Å; N361-T374 HydrophobicContact CB-CG2 4.44Å; N361-T374 WeakPolarHBondContact O-CB 3.49Å; N361-T374 PolarHBondContact O-OG1 2.91Å; N361-L393 HydrophobicContact CB-CD1 3.93Å | ||
| 362 | C | 92.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -84.8 | 152.9 | 179 | 108.6 | 0 | 0 | 0 | 0 | 112.6 | H304 C360 L364 C365 R366 | H304-C362 PolarHBondContact NE2-SG 3.23Å; C360-C362 PolarHBondContact O-N 3.16Å; C362-L364 VanDerWaalsContact C-N 3.26Å; C362-L364 PolarHBondContact O-N 3.02Å; C362-L364 PolarHBondContact SG-N 3.22Å; C362-L364 VanDerWaalsContact SG-N 3.38Å; C362-C365 PolarHBondContact O-N 3.44Å; C362-C365 PolarHBondContact SG-N 2.9Å; C362-C365 VanDerWaalsContact SG-N 3.37Å; C362-R366 PolarHBondContact O-N 2.88Å; C362-R366 VanDerWaalsContact O-N 3.1Å |
| 363 | S | 90.7 | Very high | 92.1 | Very high | 52 Ų | 52 | 64.8 Ų | 64.8 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.4 | -18.9 | -176.3 | 54.8 | 0 | 0 | 0 | 0 | 115.1 | R307 K367 | R307-S363 PolarHBondContact NH2-OG 2.91Å; S363-K367 WeakPolarHBondContact O-CB 3.4Å; S363-K367 PolarHBondContact O-N 3.24Å |
| 364 | L | 91.6 | Very high | 91.6 | Very high | 77 Ų | 77 | 65.5 Ų | 65.5 | 40% | 0.403 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -88 | -27.8 | 175 | -76.8 | 174.8 | 0 | 0 | 0 | 113.7 | R307 C362 K368 | R307-L364 VanDerWaalsContact CZ-CD1 3.47Å; C362-L364 VanDerWaalsContact C-N 3.26Å; C362-L364 PolarHBondContact O-N 3.02Å; C362-L364 PolarHBondContact SG-N 3.22Å; C362-L364 VanDerWaalsContact SG-N 3.38Å; L364-K368 WeakPolarHBondContact O-CD 3.48Å; L364-K368 VanDerWaalsContact O-CG 3.28Å; L364-K368 WeakPolarHBondContact O-CG 3.43Å |
| 365 | C | 92.5 | Very high | 91.2 | Very high | 13 Ų | 13 | 67.6 Ų | 67.6 | 9% | 0.088 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -77.2 | -54.8 | 174.9 | -71.8 | 0 | 0 | 0 | 0 | 109.2 | C360 C362 K367 K368 E369 | C360-C365 HydrophobicContact CB-CB 4.1Å; C362-C365 PolarHBondContact O-N 3.44Å; C362-C365 PolarHBondContact SG-N 2.9Å; C362-C365 VanDerWaalsContact SG-N 3.37Å; C365-K367 VanDerWaalsContact C-N 3.32Å; C365-K367 PolarHBondContact O-N 2.94Å; C365-K368 WeakPolarHBondContact O-CA 3.38Å; C365-K368 WeakPolarHBondContact O-CB 3.4Å; C365-K368 PolarHBondContact O-N 3.03Å; C365-E369 VanDerWaalsContact C-CD 3.48Å; C365-E369 VanDerWaalsContact CB-OE1 3.3Å; C365-E369 WeakPolarHBondContact CB-OE1 3.47Å; C365-E369 PolarHBondContact O-N 3.08Å; C365-E369 VanDerWaalsContact O-OE1 3.13Å |
| 366 | R | 92.5 | Very high | 90.9 | Very high | 62 Ų | 62 | 71.4 Ų | 71.4 | 23% | 0.234 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -54.5 | -41.1 | 177.1 | -76.2 | 174.5 | 65 | 127.4 | -2.3 | 114 | C362 K368 E369 G370 R371 C372 T374 | C362-R366 PolarHBondContact O-N 2.88Å; C362-R366 VanDerWaalsContact O-N 3.1Å; R366-K368 VanDerWaalsContact C-N 3.27Å; R366-K368 PolarHBondContact O-N 3.32Å; R366-E369 WeakPolarHBondContact CA-OE2 3.46Å; R366-E369 CarbonylContact O-C 3.38Å; R366-E369 WeakPolarHBondContact O-CA 3.44Å; R366-E369 WeakPolarHBondContact O-CB 3.3Å; R366-E369 PolarHBondContact O-N 2.89Å; R366-E369 VanDerWaalsContact O-N 3.07Å; R366-G370 PolarHBondContact O-N 2.91Å; R366-R371 CarbonylContact C-O 3.59Å; R366-R371 VanDerWaalsContact C-O 3.25Å; R366-R371 HydrophobicContact CB-CB 4.03Å; R366-R371 HydrophobicContact CG-CB 4.31Å; R366-R371 PolarHBondContact O-N 3.08Å; R366-R371 VanDerWaalsContact O-O 3.14Å; R366-C372 VanDerWaalsContact CZ-O 3.3Å; R366-C372 PolarHBondContact NE-O 3.06Å; R366-C372 PolarHBondContact NH2-O 3.29Å; R366-T374 WeakPolarHBondContact CD-OG1 3.34Å; R366-T374 PolarHBondContact NE-OG1 2.94Å |
| 367 | K | 92.6 | Very high | 90.8 | Very high | 168 Ų | 168 | 71.1 Ų | 71.1 | 73% | 0.73 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26.3 | 174.3 | -177.1 | 162.8 | -178 | 166.6 | 0 | 113.9 | S363 C365 | S363-K367 WeakPolarHBondContact O-CB 3.4Å; S363-K367 PolarHBondContact O-N 3.24Å; C365-K367 VanDerWaalsContact C-N 3.32Å; C365-K367 PolarHBondContact O-N 2.94Å |
| 368 | K | 91.5 | Very high | 90.7 | Very high | 176 Ų | 176 | 68.6 Ų | 68.6 | 77% | 0.765 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -26.6 | 172.2 | -68.8 | 171 | -178.1 | -175 | 0 | 112.8 | L364 C365 R366 G370 | L364-K368 WeakPolarHBondContact O-CD 3.48Å; L364-K368 VanDerWaalsContact O-CG 3.28Å; L364-K368 WeakPolarHBondContact O-CG 3.43Å; C365-K368 WeakPolarHBondContact O-CA 3.38Å; C365-K368 WeakPolarHBondContact O-CB 3.4Å; C365-K368 PolarHBondContact O-N 3.03Å; R366-K368 VanDerWaalsContact C-N 3.27Å; R366-K368 PolarHBondContact O-N 3.32Å; K368-G370 PolarHBondContact O-N 2.86Å |
| 369 | E | 90.5 | Very high | 90.7 | Very high | 93 Ų | 93 | 69.4 Ų | 69.4 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 6.2 | 172.4 | -60.9 | 142.3 | -144.6 | 0 | 0 | 112.4 | C365 R366 R371 | C365-E369 VanDerWaalsContact C-CD 3.48Å; C365-E369 VanDerWaalsContact CB-OE1 3.3Å; C365-E369 WeakPolarHBondContact CB-OE1 3.47Å; C365-E369 PolarHBondContact O-N 3.08Å; C365-E369 VanDerWaalsContact O-OE1 3.13Å; R366-E369 WeakPolarHBondContact CA-OE2 3.46Å; R366-E369 CarbonylContact O-C 3.38Å; R366-E369 WeakPolarHBondContact O-CA 3.44Å; R366-E369 WeakPolarHBondContact O-CB 3.3Å; R366-E369 PolarHBondContact O-N 2.89Å; R366-E369 VanDerWaalsContact O-N 3.07Å; E369-R371 HydrophobicContact CB-CG 4.21Å; E369-R371 PolarHBondContact O-N 2.84Å |
| 370 | G | 91.1 | Very high | 90.8 | Very high | 73 Ų | 73 | 70.1 Ų | 70.1 | 75% | 0.753 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 0.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R366 K368 | R366-G370 PolarHBondContact O-N 2.91Å; K368-G370 PolarHBondContact O-N 2.86Å |
| 371 | R | 88.1 | Confident | 90.8 | Very high | 159 Ų | 159 | 70 Ų | 70 | 60% | 0.6 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 142.6 | -172.9 | -61.6 | 179.8 | -178 | -138.8 | -0.2 | 112.6 | R366 E369 | R366-R371 CarbonylContact C-O 3.59Å; R366-R371 VanDerWaalsContact C-O 3.25Å; R366-R371 HydrophobicContact CB-CB 4.03Å; R366-R371 HydrophobicContact CG-CB 4.31Å; R366-R371 PolarHBondContact O-N 3.08Å; R366-R371 VanDerWaalsContact O-O 3.14Å; E369-R371 HydrophobicContact CB-CG 4.21Å; E369-R371 PolarHBondContact O-N 2.84Å |
| 372 | C | 86.2 | Confident | 90.9 | Very high | 111 Ų | 111 | 76.3 Ų | 76.3 | 75% | 0.75 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 143.3 | 170.3 | -68 | 0 | 0 | 0 | 0 | 111.9 | R366 | R366-C372 VanDerWaalsContact CZ-O 3.3Å; R366-C372 PolarHBondContact NE-O 3.06Å; R366-C372 PolarHBondContact NH2-O 3.29Å |
| 373 | A | 88.4 | Confident | 91 | Very high | 62 Ų | 62 | 85.5 Ų | 85.5 | 51% | 0.512 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 132.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G375 | A373-G375 PolarHBondContact O-N 3.49Š|
| 374 | T | 84.4 | Confident | 91.1 | Very high | 14 Ų | 14 | 86.3 Ų | 86.3 | 9% | 0.086 | 46% | 0.463 | C | S | . | . | trans | -55.8 | -16.4 | -176.1 | -33.5 | 0 | 0 | 0 | 0 | 116.3 | N361 R366 L377 V389 L393 | N361-T374 HydrophobicContact CB-CG2 4.44Å; N361-T374 WeakPolarHBondContact O-CB 3.49Å; N361-T374 PolarHBondContact O-OG1 2.91Å; R366-T374 WeakPolarHBondContact CD-OG1 3.34Å; R366-T374 PolarHBondContact NE-OG1 2.94Å; T374-L377 HydrophobicContact CG2-CD1 3.59Å; T374-L377 HydrophobicContact CG2-CG 4.04Å; T374-L377 WeakPolarHBondContact O-CD2 3.39Å; T374-L377 WeakPolarHBondContact O-CG 3.44Å; T374-V389 HydrophobicContact CG2-CG1 4.47Å; T374-L393 HydrophobicContact CG2-CD1 3.86Å; T374-L393 HydrophobicContact CG2-CD2 4.49Å | ||
| 375 | G | 86.8 | Confident | 91.3 | Very high | 44 Ų | 44 | 86 Ų | 86 | 45% | 0.454 | 48% | 0.479 | S | S | . | . | trans | 60.7 | -147.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R337 A373 | R337-G375 PolarHBondContact NH2-O 3.31Å; A373-G375 PolarHBondContact O-N 3.49Å | ||
| 376 | T | 89.8 | Confident | 91.4 | Very high | 126 Ų | 126 | 87.2 Ų | 87.2 | 77% | 0.773 | 48% | 0.483 | S | S | * | . | trans | -113.7 | 62.5 | -171.7 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | V378 | T376-V378 PolarHBondContact O-N 2.95Å; T376-V378 VanDerWaalsContact O-N 3.12Å | ||
| 377 | L | 91.6 | Very high | 91.3 | Very high | 36 Ų | 36 | 90.2 Ų | 90.2 | 19% | 0.188 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 0.5 | -173.4 | -50.1 | -175.8 | 0 | 0 | 0 | 116 | T374 A379 L380 A381 V389 Y392 L393 | T374-L377 HydrophobicContact CG2-CD1 3.59Å; T374-L377 HydrophobicContact CG2-CG 4.04Å; T374-L377 WeakPolarHBondContact O-CD2 3.39Å; T374-L377 WeakPolarHBondContact O-CG 3.44Å; L377-A379 PolarHBondContact O-N 3.29Å; L377-L380 HydrophobicContact CD2-CD2 4.26Å; L377-L380 PolarHBondContact O-N 3.06Å; L377-A381 WeakPolarHBondContact O-CB 3.21Å; L377-A381 PolarHBondContact O-N 2.95Å; L377-V389 HydrophobicContact CB-CG1 3.87Å; L377-V389 HydrophobicContact CB-CG2 4.05Å; L377-V389 HydrophobicContact CD1-CG1 4.18Å; L377-V389 HydrophobicContact CG-CG1 4.43Å; L377-Y392 HydrophobicContact CD1-CD1 4.47Å; L377-Y392 HydrophobicContact CD1-CE1 4.33Å; L377-L393 HydrophobicContact CD1-CD2 3.85Å; L377-L393 HydrophobicContact CD1-CG 4.34Å |
| 378 | V | 92.6 | Very high | 91.4 | Very high | 40 Ų | 40 | 83 Ų | 83 | 24% | 0.242 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.9 | -31 | -174.5 | 178.6 | 0 | 0 | 0 | 0 | 112.6 | N336 R337 T376 R382 V389 | N336-V378 HydrophobicContact CB-CG1 3.92Å; N336-V378 HydrophobicContact CB-CG2 4.31Å; R337-V378 HydrophobicContact CG-CG2 4.4Å; T376-V378 PolarHBondContact O-N 2.95Å; T376-V378 VanDerWaalsContact O-N 3.12Å; V378-R382 WeakPolarHBondContact O-CD 3.03Å; V378-R382 WeakPolarHBondContact O-CG 3.39Å; V378-V389 HydrophobicContact CB-CG2 4.27Å; V378-V389 HydrophobicContact CG2-CG2 3.72Å |
| 379 | A | 92.9 | Very high | 91.6 | Very high | 79 Ų | 79 | 74.6 Ų | 74.6 | 65% | 0.653 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -76.5 | -39.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L377 Y383 | L377-A379 PolarHBondContact O-N 3.29Å; A379-Y383 WeakPolarHBondContact O-CB 3.46Å; A379-Y383 PolarHBondContact O-N 3.35Å |
| 380 | L | 93.6 | Very high | 91.8 | Very high | 73 Ų | 73 | 71.7 Ų | 71.7 | 38% | 0.382 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.8 | -44.1 | -177.2 | -175 | 60.6 | 0 | 0 | 0 | 112.3 | L377 R382 Y383 N384 Y392 | L377-L380 HydrophobicContact CD2-CD2 4.26Å; L377-L380 PolarHBondContact O-N 3.06Å; L380-R382 VanDerWaalsContact C-N 3.3Å; L380-R382 PolarHBondContact O-N 3.23Å; L380-Y383 WeakPolarHBondContact O-CB 3.42Å; L380-Y383 PolarHBondContact O-N 3.3Å; L380-Y383 VanDerWaalsContact O-N 3.16Å; L380-N384 PolarHBondContact O-N 3.01Å; L380-N384 PolarHBondContact O-ND2 3.41Å; L380-Y392 HydrophobicContact CB-CE1 4.36Å; L380-Y392 HydrophobicContact CD2-CE1 3.92Å; L380-Y392 WeakPolarHBondContact CD2-OH 3.46Å; L380-Y392 HydrophobicContact CG-CE1 3.85Å |
| 381 | A | 94.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.008 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -54 | -47.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L377 N384 G385 H386 V389 Y392 | L377-A381 WeakPolarHBondContact O-CB 3.21Å; L377-A381 PolarHBondContact O-N 2.95Å; A381-N384 CarbonylContact O-C 3.32Å; A381-N384 VanDerWaalsContact O-C 3.32Å; A381-N384 PolarHBondContact O-N 3.29Å; A381-G385 PolarHBondContact O-N 3.22Å; A381-H386 CarbonylContact C-O 3.58Å; A381-H386 HydrophobicContact CB-CB 4.37Å; A381-H386 WeakPolarHBondContact O-CB 3.42Å; A381-H386 PolarHBondContact O-N 2.69Å; A381-V389 HydrophobicContact CB-CG2 4.16Å; A381-Y392 HydrophobicContact CB-CD1 3.68Å; A381-Y392 HydrophobicContact CB-CG 3.8Å |
| 382 | R | 93.9 | Very high | 92.3 | Very high | 140 Ų | 140 | 66 Ų | 66 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.1 | -31.5 | 178.5 | -68.1 | 175.7 | 174.3 | -160.3 | -0.8 | 114.1 | N336 V378 L380 N384 G385 H386 | N336-R382 PolarHBondContact OD1-NH2 2.79Å; V378-R382 WeakPolarHBondContact O-CD 3.03Å; V378-R382 WeakPolarHBondContact O-CG 3.39Å; L380-R382 VanDerWaalsContact C-N 3.3Å; L380-R382 PolarHBondContact O-N 3.23Å; R382-N384 VanDerWaalsContact C-N 3.28Å; R382-G385 PolarHBondContact O-N 3.19Å; R382-H386 WeakPolarHBondContact CA-O 3.41Å; R382-H386 PolarHBondContact N-O 3.46Å |
| 383 | Y | 94.8 | Very high | 92.6 | Very high | 196 Ų | 196 | 62.7 Ų | 62.7 | 77% | 0.769 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.9 | -38.2 | 172.4 | 179 | -100.1 | 0 | 0 | 0 | 110.5 | A379 L380 G385 | A379-Y383 WeakPolarHBondContact O-CB 3.46Å; A379-Y383 PolarHBondContact O-N 3.35Å; L380-Y383 WeakPolarHBondContact O-CB 3.42Å; L380-Y383 PolarHBondContact O-N 3.3Å; L380-Y383 VanDerWaalsContact O-N 3.16Å; Y383-G385 PolarHBondContact O-N 3.45Å |
| 384 | N | 94.1 | Very high | 92.8 | Very high | 70 Ų | 70 | 63.5 Ų | 63.5 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 20.9 | 173.7 | -58.5 | -25.9 | 0 | 0 | 0 | 113.3 | L380 A381 R382 H386 Y392 | L380-N384 PolarHBondContact O-N 3.01Å; L380-N384 PolarHBondContact O-ND2 3.41Å; A381-N384 CarbonylContact O-C 3.32Å; A381-N384 VanDerWaalsContact O-C 3.32Å; A381-N384 PolarHBondContact O-N 3.29Å; R382-N384 VanDerWaalsContact C-N 3.28Å; N384-H386 VanDerWaalsContact C-N 3.34Å; N384-H386 PolarHBondContact O-CD2 2.97Å; N384-H386 PolarHBondContact O-N 3.48Å; N384-Y392 HydrophobicContact CB-CD2 4.29Å; N384-Y392 HydrophobicContact CB-CE2 4.07Å; N384-Y392 WeakPolarHBondContact ND2-CE2 3.3Å; N384-Y392 PolarHBondContact ND2-OH 3.06Å; N384-Y392 VanDerWaalsContact ND2-OH 3.1Å |
| 385 | G | 94.5 | Very high | 93.3 | Very high | 71 Ų | 71 | 63.8 Ų | 63.8 | 73% | 0.732 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -5.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | A381 R382 Y383 | A381-G385 PolarHBondContact O-N 3.22Å; R382-G385 PolarHBondContact O-N 3.19Å; Y383-G385 PolarHBondContact O-N 3.45Å |
| 386 | H | 94.3 | Very high | 93.5 | Very high | 38 Ų | 38 | 64.1 Ų | 64.1 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | trans | -86.7 | 136 | -178.9 | -61.6 | -78.6 | 0 | 0 | 0 | 113 | A381 R382 N384 N388 E391 Y392 S395 | A381-H386 CarbonylContact C-O 3.58Å; A381-H386 HydrophobicContact CB-CB 4.37Å; A381-H386 WeakPolarHBondContact O-CB 3.42Å; A381-H386 PolarHBondContact O-N 2.69Å; R382-H386 WeakPolarHBondContact CA-O 3.41Å; R382-H386 PolarHBondContact N-O 3.46Å; N384-H386 VanDerWaalsContact C-N 3.34Å; N384-H386 PolarHBondContact O-CD2 2.97Å; N384-H386 PolarHBondContact O-N 3.48Å; H386-N388 VanDerWaalsContact C-N 3.29Å; H386-N388 PolarHBondContact O-N 2.74Å; H386-E391 IonicContact CE1-OE1 3.28Å; H386-E391 IonicContact CG-OE1 2.91Å; H386-E391 IonicContact ND1-OE1 3.49Å; H386-E391 PolarHBondContact ND1-OE1 3.07Å; H386-Y392 AromaticContact CD2-CD2 3.54Å; H386-Y392 AromaticContact NE2-CD2 3.94Å; H386-S395 PolarHBondContact CE1-OG 3.22Å; H386-S395 VanDerWaalsContact CE1-OG 3.3Å; H386-S395 PolarHBondContact NE2-OG 3.11Å | ||
| 387 | D | 91.9 | Very high | 93.6 | Very high | 124 Ų | 124 | 63.6 Ų | 63.6 | 66% | 0.663 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -67.7 | -28.5 | 178.2 | -105.8 | -36.9 | 0 | 0 | 0 | 113.2 | ||
| 388 | N | 94.4 | Very high | 93.7 | Very high | 16 Ų | 16 | 68 Ų | 68 | 9% | 0.086 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -140 | 155.6 | -172.9 | 74.5 | 88.7 | 0 | 0 | 0 | 113.2 | H386 H390 E391 Y392 | H386-N388 VanDerWaalsContact C-N 3.29Å; H386-N388 PolarHBondContact O-N 2.74Å; N388-H390 PolarHBondContact O-N 2.7Å; N388-H390 PolarHBondContact OD1-N 3.35Å; N388-H390 VanDerWaalsContact OD1-N 3.09Å; N388-E391 WeakPolarHBondContact ND2-CB 3.39Å; N388-E391 PolarHBondContact ND2-OE2 2.69Å; N388-E391 WeakPolarHBondContact OD1-CB 3.4Å; N388-E391 PolarHBondContact OD1-N 2.86Å; N388-Y392 PolarHBondContact O-N 2.78Å |
| 389 | V | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71.4 | -24.6 | -176.8 | 173 | 0 | 0 | 0 | 0 | 114 | N336 R337 T374 L377 V378 A381 L393 | N336-V389 PolarHBondContact O-N 2.79Å; R337-V389 HydrophobicContact CG-CB 4.15Å; R337-V389 HydrophobicContact CG-CG2 4.25Å; T374-V389 HydrophobicContact CG2-CG1 4.47Å; L377-V389 HydrophobicContact CB-CG1 3.87Å; L377-V389 HydrophobicContact CB-CG2 4.05Å; L377-V389 HydrophobicContact CD1-CG1 4.18Å; L377-V389 HydrophobicContact CG-CG1 4.43Å; V378-V389 HydrophobicContact CB-CG2 4.27Å; V378-V389 HydrophobicContact CG2-CG2 3.72Å; A381-V389 HydrophobicContact CB-CG2 4.16Å; V389-L393 HydrophobicContact CG1-CD1 3.95Å; V389-L393 HydrophobicContact CG1-CG 4.36Å; V389-L393 VanDerWaalsContact O-CG 3.26Å; V389-L393 WeakPolarHBondContact O-CG 3.37Å; V389-L393 PolarHBondContact O-N 3.14Å; V389-L393 VanDerWaalsContact O-N 3.13Å |
| 390 | H | 94.2 | Very high | 93.5 | Very high | 33 Ų | 33 | 76.2 Ų | 76.2 | 15% | 0.153 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -72.6 | -48.9 | -178.4 | 179 | 3 | 0 | 0 | 0 | 111.1 | R337 Y338 M359 N388 Y392 L393 E394 | R337-H390 WeakPolarHBondContact O-CB 3.18Å; R337-H390 PolarHBondContact O-N 3.28Å; R337-H390 VanDerWaalsContact O-N 3.09Å; Y338-H390 HydrophobicContact CD1-CB 4.47Å; M359-H390 WeakPolarHBondContact CE-NE2 3.22Å; N388-H390 PolarHBondContact O-N 2.7Å; N388-H390 PolarHBondContact OD1-N 3.35Å; N388-H390 VanDerWaalsContact OD1-N 3.09Å; H390-Y392 VanDerWaalsContact C-N 3.3Å; H390-Y392 PolarHBondContact O-N 3.14Å; H390-L393 WeakPolarHBondContact O-CA 3.38Å; H390-L393 WeakPolarHBondContact O-CB 3.17Å; H390-L393 PolarHBondContact O-N 2.94Å; H390-E394 IonicContact CE1-OE1 2.74Å; H390-E394 PolarHBondContact CE1-OE1 3.2Å; H390-E394 IonicContact ND1-OE1 3.85Å; H390-E394 IonicContact NE2-OE1 3.08Å; H390-E394 PolarHBondContact O-N 3.01Å |
| 391 | E | 94.6 | Very high | 92.5 | Very high | 84 Ų | 84 | 82 Ų | 82 | 39% | 0.393 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.8 | -42.2 | 175.7 | -172.8 | -164.3 | 131.1 | 0 | 0 | 111.8 | H386 N388 L393 E394 S395 | H386-E391 IonicContact CE1-OE1 3.28Å; H386-E391 IonicContact CG-OE1 2.91Å; H386-E391 IonicContact ND1-OE1 3.49Å; H386-E391 PolarHBondContact ND1-OE1 3.07Å; N388-E391 WeakPolarHBondContact ND2-CB 3.39Å; N388-E391 PolarHBondContact ND2-OE2 2.69Å; N388-E391 WeakPolarHBondContact OD1-CB 3.4Å; N388-E391 PolarHBondContact OD1-N 2.86Å; E391-L393 VanDerWaalsContact C-N 3.3Å; E391-L393 PolarHBondContact O-N 3.44Å; E391-E394 CarbonylContact O-C 3.53Å; E391-E394 WeakPolarHBondContact O-CA 3.4Å; E391-E394 WeakPolarHBondContact O-CB 3.24Å; E391-E394 PolarHBondContact O-N 3.5Å; E391-S395 PolarHBondContact O-N 3.22Å; E391-S395 PolarHBondContact O-OG 3.13Å |
| 392 | Y | 95 | Very high | 92.4 | Very high | 28 Ų | 28 | 86.1 Ų | 86.1 | 11% | 0.11 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.7 | -32.8 | 172.9 | 174.6 | -127.3 | 0 | 0 | 0 | 113.6 | L377 L380 A381 N384 H386 N388 H390 E394 S395 I396 | L377-Y392 HydrophobicContact CD1-CD1 4.47Å; L377-Y392 HydrophobicContact CD1-CE1 4.33Å; L380-Y392 HydrophobicContact CB-CE1 4.36Å; L380-Y392 HydrophobicContact CD2-CE1 3.92Å; L380-Y392 WeakPolarHBondContact CD2-OH 3.46Å; L380-Y392 HydrophobicContact CG-CE1 3.85Å; A381-Y392 HydrophobicContact CB-CD1 3.68Å; A381-Y392 HydrophobicContact CB-CG 3.8Å; N384-Y392 HydrophobicContact CB-CD2 4.29Å; N384-Y392 HydrophobicContact CB-CE2 4.07Å; N384-Y392 WeakPolarHBondContact ND2-CE2 3.3Å; N384-Y392 PolarHBondContact ND2-OH 3.06Å; N384-Y392 VanDerWaalsContact ND2-OH 3.1Å; H386-Y392 AromaticContact CD2-CD2 3.54Å; H386-Y392 AromaticContact NE2-CD2 3.94Å; N388-Y392 PolarHBondContact O-N 2.78Å; H390-Y392 VanDerWaalsContact C-N 3.3Å; H390-Y392 PolarHBondContact O-N 3.14Å; Y392-E394 VanDerWaalsContact C-N 3.32Å; Y392-S395 WeakPolarHBondContact CA-OG 3.47Å; Y392-S395 PolarHBondContact O-OG 2.81Å; Y392-I396 HydrophobicContact CD1-CD1 4.25Å; Y392-I396 HydrophobicContact CD2-CD1 4.05Å; Y392-I396 HydrophobicContact CD2-CG1 4.24Å; Y392-I396 HydrophobicContact CE1-CD1 3.73Å; Y392-I396 HydrophobicContact CE2-CD1 3.48Å; Y392-I396 VanDerWaalsContact CE2-CD1 3.48Å; Y392-I396 HydrophobicContact CE2-CG1 3.73Å; Y392-I396 HydrophobicContact CG-CD1 4.39Å; Y392-I396 WeakPolarHBondContact O-CD1 3.45Å; Y392-I396 VanDerWaalsContact O-CG1 3.32Å; Y392-I396 WeakPolarHBondContact O-CG1 3.42Å; Y392-I396 PolarHBondContact O-N 2.85Å |
| 393 | L | 92.5 | Very high | 92.4 | Very high | 42 Ų | 42 | 83.3 Ų | 83.3 | 22% | 0.22 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -74.5 | -26.1 | 173.4 | -72.5 | 167.8 | 0 | 0 | 0 | 112 | N361 T374 L377 V389 H390 E391 Q397 | N361-L393 HydrophobicContact CB-CD1 3.93Å; T374-L393 HydrophobicContact CG2-CD1 3.86Å; T374-L393 HydrophobicContact CG2-CD2 4.49Å; L377-L393 HydrophobicContact CD1-CD2 3.85Å; L377-L393 HydrophobicContact CD1-CG 4.34Å; V389-L393 HydrophobicContact CG1-CD1 3.95Å; V389-L393 HydrophobicContact CG1-CG 4.36Å; V389-L393 VanDerWaalsContact O-CG 3.26Å; V389-L393 WeakPolarHBondContact O-CG 3.37Å; V389-L393 PolarHBondContact O-N 3.14Å; V389-L393 VanDerWaalsContact O-N 3.13Å; H390-L393 WeakPolarHBondContact O-CA 3.38Å; H390-L393 WeakPolarHBondContact O-CB 3.17Å; H390-L393 PolarHBondContact O-N 2.94Å; E391-L393 VanDerWaalsContact C-N 3.3Å; E391-L393 PolarHBondContact O-N 3.44Å; L393-Q397 WeakPolarHBondContact O-CB 3.38Å; L393-Q397 PolarHBondContact O-N 3.16Å; L393-Q397 VanDerWaalsContact O-N 3.17Å |
| 394 | E | 93.1 | Very high | 92.2 | Very high | 78 Ų | 78 | 77 Ų | 77 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -77.7 | -35.4 | 173 | -68 | -165.4 | 177.5 | 0 | 0 | 113.3 | H390 E391 Y392 Q397 K398 | H390-E394 IonicContact CE1-OE1 2.74Å; H390-E394 PolarHBondContact CE1-OE1 3.2Å; H390-E394 IonicContact ND1-OE1 3.85Å; H390-E394 IonicContact NE2-OE1 3.08Å; H390-E394 PolarHBondContact O-N 3.01Å; E391-E394 CarbonylContact O-C 3.53Å; E391-E394 WeakPolarHBondContact O-CA 3.4Å; E391-E394 WeakPolarHBondContact O-CB 3.24Å; E391-E394 PolarHBondContact O-N 3.5Å; Y392-E394 VanDerWaalsContact C-N 3.32Å; E394-Q397 PolarHBondContact O-N 2.88Å; E394-K398 WeakPolarHBondContact O-CB 3.41Å; E394-K398 WeakPolarHBondContact O-CD 3.32Å; E394-K398 WeakPolarHBondContact O-CG 3.39Å; E394-K398 PolarHBondContact O-N 2.93Å; E394-K398 IonicContact OE2-NZ 2.98Å; E394-K398 PolarHBondContact OE2-NZ 3.28Å |
| 395 | S | 94.3 | Very high | 92.1 | Very high | 21 Ų | 21 | 77.4 Ų | 77.4 | 15% | 0.147 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.6 | -50.7 | 173.8 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | H386 E391 Y392 Q397 K398 E399 | H386-S395 PolarHBondContact CE1-OG 3.22Å; H386-S395 VanDerWaalsContact CE1-OG 3.3Å; H386-S395 PolarHBondContact NE2-OG 3.11Å; E391-S395 PolarHBondContact O-N 3.22Å; E391-S395 PolarHBondContact O-OG 3.13Å; Y392-S395 WeakPolarHBondContact CA-OG 3.47Å; Y392-S395 PolarHBondContact O-OG 2.81Å; S395-Q397 PolarHBondContact O-N 3.15Å; S395-K398 CarbonylContact O-C 3.32Å; S395-K398 PolarHBondContact O-N 3.31Å; S395-E399 WeakPolarHBondContact O-CG 3.37Å; S395-E399 PolarHBondContact O-N 2.83Å |
| 396 | I | 92.4 | Very high | 92 | Very high | 50 Ų | 50 | 77.8 Ų | 77.8 | 26% | 0.256 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.2 | -41.4 | 172.5 | -63.1 | 162.4 | 0 | 0 | 0 | 111.4 | Y392 K398 E399 L400 | Y392-I396 HydrophobicContact CD1-CD1 4.25Å; Y392-I396 HydrophobicContact CD2-CD1 4.05Å; Y392-I396 HydrophobicContact CD2-CG1 4.24Å; Y392-I396 HydrophobicContact CE1-CD1 3.73Å; Y392-I396 HydrophobicContact CE2-CD1 3.48Å; Y392-I396 VanDerWaalsContact CE2-CD1 3.48Å; Y392-I396 HydrophobicContact CE2-CG1 3.73Å; Y392-I396 HydrophobicContact CG-CD1 4.39Å; Y392-I396 WeakPolarHBondContact O-CD1 3.45Å; Y392-I396 VanDerWaalsContact O-CG1 3.32Å; Y392-I396 WeakPolarHBondContact O-CG1 3.42Å; Y392-I396 PolarHBondContact O-N 2.85Å; I396-K398 VanDerWaalsContact C-N 3.33Å; I396-K398 PolarHBondContact O-N 2.87Å; I396-E399 PolarHBondContact O-N 3.05Å; I396-L400 HydrophobicContact CG2-CD1 3.77Å; I396-L400 HydrophobicContact CG2-CG 4.45Å; I396-L400 VanDerWaalsContact O-CG 3.29Å; I396-L400 WeakPolarHBondContact O-CG 3.33Å; I396-L400 PolarHBondContact O-N 3.11Å |
| 397 | Q | 90.9 | Very high | 91.8 | Very high | 116 Ų | 116 | 80.5 Ų | 80.5 | 54% | 0.542 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.4 | -31.7 | 179.5 | -172.8 | 174.7 | -33.1 | 0 | 0 | 112.5 | L393 E394 S395 Q401 | L393-Q397 WeakPolarHBondContact O-CB 3.38Å; L393-Q397 PolarHBondContact O-N 3.16Å; L393-Q397 VanDerWaalsContact O-N 3.17Å; E394-Q397 PolarHBondContact O-N 2.88Å; S395-Q397 PolarHBondContact O-N 3.15Å; Q397-Q401 VanDerWaalsContact O-CG 3.26Å; Q397-Q401 WeakPolarHBondContact O-CG 2.97Å |
| 398 | K | 93.4 | Very high | 91.8 | Very high | 129 Ų | 129 | 77.4 Ų | 77.4 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -77.9 | -25.5 | 175.1 | -68.7 | 159.2 | -167.5 | 161 | 0 | 112.7 | E394 S395 I396 L400 | E394-K398 WeakPolarHBondContact O-CB 3.41Å; E394-K398 WeakPolarHBondContact O-CD 3.32Å; E394-K398 WeakPolarHBondContact O-CG 3.39Å; E394-K398 PolarHBondContact O-N 2.93Å; E394-K398 IonicContact OE2-NZ 2.98Å; E394-K398 PolarHBondContact OE2-NZ 3.28Å; S395-K398 CarbonylContact O-C 3.32Å; S395-K398 PolarHBondContact O-N 3.31Å; I396-K398 VanDerWaalsContact C-N 3.33Å; I396-K398 PolarHBondContact O-N 2.87Å; K398-L400 VanDerWaalsContact C-N 3.3Å |
| 399 | E | 92.2 | Very high | 91.6 | Very high | 148 Ų | 148 | 82.1 Ų | 82.1 | 69% | 0.692 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -77.7 | -14.8 | 173.6 | -71.3 | 164.5 | -164.1 | 0 | 0 | 113.1 | S395 I396 | S395-E399 WeakPolarHBondContact O-CG 3.37Å; S395-E399 PolarHBondContact O-N 2.83Å; I396-E399 PolarHBondContact O-N 3.05Å |
| 400 | L | 88.9 | Confident | 91.3 | Very high | 143 Ų | 143 | 88.9 Ų | 88.9 | 75% | 0.749 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 15.5 | 179.3 | -65.8 | 172.7 | 0 | 0 | 0 | 112.9 | I396 K398 | I396-L400 HydrophobicContact CG2-CD1 3.77Å; I396-L400 HydrophobicContact CG2-CG 4.45Å; I396-L400 VanDerWaalsContact O-CG 3.29Å; I396-L400 WeakPolarHBondContact O-CG 3.33Å; I396-L400 PolarHBondContact O-N 3.11Å; K398-L400 VanDerWaalsContact C-N 3.3Å |
| 401 | Q | 74.3 | Confident | 91 | Very high | 195 Ų | 195 | 94 Ų | 94 | 91% | 0.911 | 45% | 0.449 | S | S | * | . | trans | -123 | 0 | -178.2 | -81.1 | -176.1 | -33.1 | 0 | 0 | 111.7 | Q397 | Q397-Q401 VanDerWaalsContact O-CG 3.26Å; Q397-Q401 WeakPolarHBondContact O-CG 2.97Å |
Retrieved 401 of 401 residues in 257.8 ms
(Link to these results)