| 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 | 41.1 | Very low | 36.4 | Very low | 229 Ų | 229 | 149.8 Ų | 149.8 | 100% | 1.128 | 80% | 0.804 | S | S | * | * | 0 | 75.6 | 0 | -62.2 | 172.2 | -177.8 | 0 | 0 | 106.7 | |||||
| 2 | S | 33.3 | Very low | 35.9 | Very low | 91 Ų | 91 | 149.3 Ų | 149.3 | 64% | 0.636 | 81% | 0.81 | S | S | * | * | cis | 52 | 109.5 | 32.5 | 69.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | I | 40.8 | Very low | 35.4 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 77% | 0.774 | 80% | 0.804 | S | S | * | * | -145.6 | 132.4 | 65.5 | -73 | 136.3 | 0 | 0 | 0 | 106.5 | |||||
| 4 | I | 34.9 | Very low | 35.1 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 67% | 0.667 | 79% | 0.794 | S | S | * | * | cis | 71.1 | 151.7 | 44.4 | -56.6 | -175.4 | 0 | 0 | 0 | 112.9 | ||||
| 5 | D | 40.1 | Very low | 34.8 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | trans | 89.6 | 83.1 | -170.7 | -50.9 | -13.1 | 0 | 0 | 0 | 111.4 | ||||
| 6 | D | 36.5 | Very low | 34.7 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | 58.3 | 123.5 | 58.5 | -65.2 | -38.3 | 0 | 0 | 0 | 114.6 | |||||
| 7 | L | 37.8 | Very low | 34.6 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | -177 | 104 | 136.1 | -98.5 | 170 | 0 | 0 | 0 | 110.9 | ||||
| 8 | D | 35.7 | Very low | 34.5 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | 55.4 | 125.7 | 143.8 | -52.6 | -14.1 | 0 | 0 | 0 | 122.4 | ||||
| 9 | A | 31.6 | Very low | 34.3 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -129.5 | 127.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 10 | E | 35.5 | Very low | 34.4 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -127.4 | 148.2 | 172.1 | -74.3 | -160.8 | 134.5 | 0 | 0 | 112.3 | ||||
| 11 | E | 32.7 | Very low | 34.7 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | 31.9 | 101.5 | 163.6 | -52.9 | -157.1 | 131 | 0 | 0 | 118.5 | ||||
| 12 | V | 30.5 | Very low | 34.4 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | 62 | 61.3 | 57.2 | -162.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 13 | G | 29.9 | Very low | 34.9 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | -89.4 | 106.4 | 161 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 14 | S | 30.7 | Very low | 35.1 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | -70.9 | 135.6 | -170 | 70.3 | 0 | 0 | 0 | 0 | 115.4 | T16 | S14-T16 PolarHBondContact O-N 3.12Š| ||
| 15 | W | 30.1 | Very low | 35.5 | Very low | 255 Ų | 255 | 129.7 Ų | 129.7 | 97% | 0.966 | 75% | 0.747 | S | S | * | * | trans | -82.5 | 100.9 | 166.2 | -75.4 | 74.5 | 0 | 0 | 0 | 109.7 | ||||
| 16 | T | 34 | Very low | 35.7 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | trans | -93 | 108.4 | 174.1 | 45.6 | 0 | 0 | 0 | 0 | 111.5 | S14 R18 | S14-T16 PolarHBondContact O-N 3.12Å; T16-R18 PolarHBondContact O-N 2.77Å | ||
| 17 | S | 33.6 | Very low | 36.4 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -55.1 | 129.9 | 177 | -51.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 18 | R | 31.6 | Very low | 36.9 | Very low | 235 Ų | 235 | 127.3 Ų | 127.3 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | trans | -84.4 | 132.8 | 153 | -80.1 | -171.3 | 171.2 | -168.6 | -2.7 | 108.6 | T16 S20 | T16-R18 PolarHBondContact O-N 2.77Å; R18-S20 PolarHBondContact O-N 3.21Å; R18-S20 VanDerWaalsContact O-N 3.08Å | ||
| 19 | P | 31 | Very low | 37.2 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 83% | 0.825 | 71% | 0.707 | S | S | * | * | trans | -70.2 | 107 | 175.3 | 28.6 | -32.8 | 0 | 0 | 0 | 109.3 | ||||
| 20 | S | 37.1 | Very low | 37.8 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | trans | -70.9 | 130.5 | 155.1 | 50.5 | 0 | 0 | 0 | 0 | 107.7 | R18 A22 | R18-S20 PolarHBondContact O-N 3.21Å; R18-S20 VanDerWaalsContact O-N 3.08Å; S20-A22 PolarHBondContact O-N 3.43Å | ||
| 21 | T | 39.3 | Very low | 38.5 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 76% | 0.761 | 68% | 0.677 | S | S | * | * | trans | -63.7 | 104.4 | 161.5 | 37.7 | 0 | 0 | 0 | 0 | 107.1 | V23 | T21-V23 PolarHBondContact O-N 2.97Š| ||
| 22 | A | 36.2 | Very low | 38.8 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 77% | 0.769 | 66% | 0.664 | S | S | * | * | trans | -77.2 | 58.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S20 S24 | S20-A22 PolarHBondContact O-N 3.43Å; A22-S24 PolarHBondContact O-N 2.69Å | ||
| 23 | V | 44.3 | Very low | 39.3 | Very low | 58 Ų | 58 | 122.2 Ų | 122.2 | 35% | 0.352 | 66% | 0.655 | S | S | . | * | trans | -55.5 | 121.3 | 164.8 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | T21 E27 R28 L31 | T21-V23 PolarHBondContact O-N 2.97Å; V23-E27 WeakPolarHBondContact CA-OE2 3.18Å; V23-E27 HydrophobicContact CG1-CB 3.56Å; V23-R28 HydrophobicContact CB-CG 4.49Å; V23-R28 HydrophobicContact CG1-CG 3.91Å; V23-L31 HydrophobicContact CG1-CD1 4.48Å | ||
| 24 | S | 44.9 | Very low | 40.1 | Very low | 50 Ų | 50 | 123 Ų | 123 | 35% | 0.35 | 64% | 0.642 | S | S | . | * | trans | -57 | 155 | -174.1 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | A22 D26 E27 R28 | A22-S24 PolarHBondContact O-N 2.69Å; S24-D26 PolarHBondContact O-N 2.7Å; S24-D26 PolarHBondContact OG-N 3.14Å; S24-E27 WeakPolarHBondContact CB-OE2 3.34Å; S24-E27 PolarHBondContact N-OE2 3.36Å; S24-E27 PolarHBondContact O-N 3.16Å; S24-R28 PolarHBondContact O-N 2.69Å | ||
| 25 | S | 41.5 | Very low | 40.7 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 58% | 0.58 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -52.3 | -38.2 | 169.3 | -66 | 0 | 0 | 0 | 0 | 111.3 | F29 | S25-F29 PolarHBondContact O-N 3.04Å |
| 26 | D | 45 | Very low | 41.2 | Very low | 111 Ų | 111 | 118.8 Ų | 118.8 | 59% | 0.594 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -81.8 | -30.9 | -178.1 | -56.7 | -45.9 | 0 | 0 | 0 | 112.3 | S24 F29 Q30 | S24-D26 PolarHBondContact O-N 2.7Å; S24-D26 PolarHBondContact OG-N 3.14Å; D26-F29 CarbonylContact O-C 3.58Å; D26-F29 PolarHBondContact O-N 3.47Å; D26-Q30 WeakPolarHBondContact O-CB 3.17Å; D26-Q30 VanDerWaalsContact O-CG 3.31Å; D26-Q30 WeakPolarHBondContact O-CG 3.16Å; D26-Q30 PolarHBondContact O-N 2.94Å |
| 27 | E | 52.3 | Low | 41.4 | Very low | 106 Ų | 106 | 115.7 Ų | 115.7 | 50% | 0.495 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67 | -40.8 | 171.7 | -74.5 | 177.5 | 127.5 | 0 | 0 | 111.5 | V23 S24 F29 Q30 L31 | V23-E27 WeakPolarHBondContact CA-OE2 3.18Å; V23-E27 HydrophobicContact CG1-CB 3.56Å; S24-E27 WeakPolarHBondContact CB-OE2 3.34Å; S24-E27 PolarHBondContact N-OE2 3.36Å; S24-E27 PolarHBondContact O-N 3.16Å; E27-F29 PolarHBondContact O-N 2.75Å; E27-Q30 PolarHBondContact O-N 3.34Å; E27-L31 WeakPolarHBondContact O-CB 3.28Å; E27-L31 WeakPolarHBondContact O-CG 3.23Å; E27-L31 PolarHBondContact O-N 2.96Å |
| 28 | R | 46.6 | Very low | 41.6 | Very low | 170 Ų | 170 | 120.3 Ų | 120.3 | 64% | 0.642 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -60.8 | -33.8 | 170.6 | -74.5 | -174.7 | 176 | 176.2 | 0.1 | 111.9 | V23 S24 F32 | V23-R28 HydrophobicContact CB-CG 4.49Å; V23-R28 HydrophobicContact CG1-CG 3.91Å; S24-R28 PolarHBondContact O-N 2.69Å; R28-F32 WeakPolarHBondContact O-CB 3.28Å; R28-F32 PolarHBondContact O-N 2.96Å |
| 29 | F | 42.4 | Very low | 41.6 | Very low | 125 Ų | 125 | 116.7 Ų | 116.7 | 55% | 0.548 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -77.5 | -33.1 | 177.7 | -134.2 | -89.1 | 0 | 0 | 0 | 113.1 | S25 D26 E27 R33 | S25-F29 PolarHBondContact O-N 3.04Å; D26-F29 CarbonylContact O-C 3.58Å; D26-F29 PolarHBondContact O-N 3.47Å; E27-F29 PolarHBondContact O-N 2.75Å; F29-R33 WeakPolarHBondContact O-CB 3.15Å; F29-R33 WeakPolarHBondContact O-CG 3.37Å; F29-R33 PolarHBondContact O-N 2.85Å |
| 30 | Q | 44.7 | Very low | 41.6 | Very low | 123 Ų | 123 | 117.4 Ų | 117.4 | 58% | 0.575 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.8 | -52.2 | 169.9 | -76.6 | -82.4 | 4.2 | 0 | 0 | 110.8 | D26 E27 F32 R33 N34 | D26-Q30 WeakPolarHBondContact O-CB 3.17Å; D26-Q30 VanDerWaalsContact O-CG 3.31Å; D26-Q30 WeakPolarHBondContact O-CG 3.16Å; D26-Q30 PolarHBondContact O-N 2.94Å; E27-Q30 PolarHBondContact O-N 3.34Å; Q30-F32 PolarHBondContact O-N 3.08Å; Q30-R33 PolarHBondContact O-N 2.93Å; Q30-R33 VanDerWaalsContact O-N 3.16Å; Q30-N34 VanDerWaalsContact O-CG 3.3Å; Q30-N34 PolarHBondContact O-N 2.99Å; Q30-N34 PolarHBondContact O-ND2 2.91Å |
| 31 | L | 50.1 | Low | 41.3 | Very low | 97 Ų | 97 | 121.4 Ų | 121.4 | 51% | 0.508 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -57.2 | -49.6 | 176.8 | -71.8 | 165.6 | 0 | 0 | 0 | 111.2 | V23 E27 R33 N34 D35 | V23-L31 HydrophobicContact CG1-CD1 4.48Å; E27-L31 WeakPolarHBondContact O-CB 3.28Å; E27-L31 WeakPolarHBondContact O-CG 3.23Å; E27-L31 PolarHBondContact O-N 2.96Å; L31-R33 VanDerWaalsContact C-N 3.27Å; L31-R33 PolarHBondContact O-N 3.17Å; L31-N34 PolarHBondContact O-N 3.49Å; L31-N34 VanDerWaalsContact O-N 3.08Å; L31-D35 PolarHBondContact O-N 3.44Å |
| 32 | F | 39.5 | Very low | 41 | Very low | 123 Ų | 123 | 120 Ų | 120 | 54% | 0.539 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.9 | -28.5 | 178 | -172.3 | -110.9 | 0 | 0 | 0 | 113.9 | R28 Q30 L36 | R28-F32 WeakPolarHBondContact O-CB 3.28Å; R28-F32 PolarHBondContact O-N 2.96Å; Q30-F32 PolarHBondContact O-N 3.08Å; F32-L36 HydrophobicContact CD1-CD1 4.01Å; F32-L36 HydrophobicContact CD2-CD1 4.37Å; F32-L36 HydrophobicContact CE1-CD1 3.53Å; F32-L36 HydrophobicContact CE2-CD1 3.93Å; F32-L36 HydrophobicContact CG-CD1 4.41Å; F32-L36 HydrophobicContact CZ-CD1 3.49Å; F32-L36 VanDerWaalsContact CZ-CD1 3.49Å; F32-L36 WeakPolarHBondContact O-CB 3.26Å; F32-L36 WeakPolarHBondContact O-CG 3.26Å; F32-L36 PolarHBondContact O-N 3.35Å |
| 33 | R | 40.8 | Very low | 40.9 | Very low | 179 Ų | 179 | 125 Ų | 125 | 68% | 0.675 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -77.4 | -32.7 | 172.2 | -83.1 | -173.6 | 134 | 163.8 | -3.3 | 113.4 | F29 Q30 L31 G37 | F29-R33 WeakPolarHBondContact O-CB 3.15Å; F29-R33 WeakPolarHBondContact O-CG 3.37Å; F29-R33 PolarHBondContact O-N 2.85Å; Q30-R33 PolarHBondContact O-N 2.93Å; Q30-R33 VanDerWaalsContact O-N 3.16Å; L31-R33 VanDerWaalsContact C-N 3.27Å; L31-R33 PolarHBondContact O-N 3.17Å; R33-G37 PolarHBondContact O-N 2.88Å |
| 34 | N | 47.2 | Very low | 40.3 | Very low | 87 Ų | 87 | 131.4 Ų | 131.4 | 47% | 0.465 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -72.9 | -37.7 | 175.7 | -67.9 | -31 | 0 | 0 | 0 | 111.5 | Q30 L31 L36 G37 | Q30-N34 VanDerWaalsContact O-CG 3.3Å; Q30-N34 PolarHBondContact O-N 2.99Å; Q30-N34 PolarHBondContact O-ND2 2.91Å; L31-N34 PolarHBondContact O-N 3.49Å; L31-N34 VanDerWaalsContact O-N 3.08Å; N34-L36 VanDerWaalsContact C-N 3.31Å; N34-L36 PolarHBondContact O-N 3.25Å; N34-G37 PolarHBondContact O-N 3.1Å |
| 35 | D | 43.8 | Very low | 39.8 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.5 | -22.2 | 177 | -69 | -13.2 | 0 | 0 | 0 | 113.3 | L31 | L31-D35 PolarHBondContact O-N 3.44Å |
| 36 | L | 39.3 | Very low | 39.4 | Very low | 130 Ų | 130 | 141 Ų | 141 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 8.9 | 175 | -73.7 | 174.3 | 0 | 0 | 0 | 113.7 | F32 N34 | F32-L36 HydrophobicContact CD1-CD1 4.01Å; F32-L36 HydrophobicContact CD2-CD1 4.37Å; F32-L36 HydrophobicContact CE1-CD1 3.53Å; F32-L36 HydrophobicContact CE2-CD1 3.93Å; F32-L36 HydrophobicContact CG-CD1 4.41Å; F32-L36 HydrophobicContact CZ-CD1 3.49Å; F32-L36 VanDerWaalsContact CZ-CD1 3.49Å; F32-L36 WeakPolarHBondContact O-CB 3.26Å; F32-L36 WeakPolarHBondContact O-CG 3.26Å; F32-L36 PolarHBondContact O-N 3.35Å; N34-L36 VanDerWaalsContact C-N 3.31Å; N34-L36 PolarHBondContact O-N 3.25Å |
| 37 | G | 38.6 | Very low | 38.9 | Very low | 59 Ų | 59 | 144 Ų | 144 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -129.6 | 19.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R33 N34 | R33-G37 PolarHBondContact O-N 2.88Å; N34-G37 PolarHBondContact O-N 3.1Å |
| 38 | R | 36.9 | Very low | 37.9 | Very low | 213 Ų | 213 | 146.4 Ų | 146.4 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -126.1 | 150.9 | 176.5 | -70.9 | -172 | 175.3 | -168.7 | -1.5 | 111.6 | ||
| 39 | D | 33 | Very low | 37.1 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | trans | -56.9 | 137.1 | -156.3 | -69.5 | -81.1 | 0 | 0 | 0 | 116.5 | Q41 | D39-Q41 PolarHBondContact O-N 3.27Š| ||
| 40 | V | 30.2 | Very low | 36.6 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | -76.4 | 102 | 154.9 | 175 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 41 | Q | 30.5 | Very low | 35.8 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -165 | 154 | 142 | -79.1 | -136.2 | -2.5 | 0 | 0 | 111.2 | D39 | D39-Q41 PolarHBondContact O-N 3.27Š| ||
| 42 | A | 34.1 | Very low | 34.9 | Very low | 95 Ų | 95 | 156.7 Ų | 156.7 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 79.6 | 148.8 | 167 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 43 | E | 34.3 | Very low | 34.2 | Very low | 198 Ų | 198 | 158.2 Ų | 158.2 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | 67.4 | 104.3 | 167.8 | -52.1 | -153 | 128.6 | 0 | 0 | 119.7 | ||||
| 44 | E | 31 | Very low | 33.6 | Very low | 192 Ų | 192 | 155.9 Ų | 155.9 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -96.4 | 164.5 | 171.8 | -55.7 | 174.6 | 107.7 | 0 | 0 | 112.1 | ||||
| 45 | A | 33.4 | Very low | 32.6 | Very low | 91 Ų | 91 | 160.3 Ų | 160.3 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | 80.3 | 148.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 46 | R | 33.4 | Very low | 31.7 | Very low | 244 Ų | 244 | 161.5 Ų | 161.5 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | 70.9 | 145.1 | 173.7 | -61.6 | 175.3 | 174 | 154.1 | -0.9 | 114.6 | ||||
| 47 | E | 35.2 | Very low | 31 | Very low | 173 Ų | 173 | 161.2 Ų | 161.2 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | cis | -125.1 | 148.5 | 20.1 | -62.6 | 175.4 | 138.2 | 0 | 0 | 114.4 | ||||
| 48 | D | 31.1 | Very low | 30.2 | Very low | 157 Ų | 157 | 164.3 Ų | 164.3 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | -89.9 | 147.7 | 159.4 | -85.2 | -59.3 | 0 | 0 | 0 | 109.9 | ||||
| 49 | F | 30.1 | Very low | 29.6 | Very low | 198 Ų | 198 | 161.9 Ų | 161.9 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | trans | -113.3 | 122.3 | 167.1 | -119.7 | -91 | 0 | 0 | 0 | 111.1 | ||||
| 50 | V | 31.6 | Very low | 29.3 | Very low | 129 Ų | 129 | 166.5 Ų | 166.5 | 78% | 0.782 | 83% | 0.831 | S | S | * | * | trans | -83.2 | 160.7 | -175.4 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 51 | R | 27.3 | Very low | 28.9 | Very low | 221 Ų | 221 | 164.9 Ų | 164.9 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -65.5 | 148.2 | -178.6 | -54 | 170.3 | -176.4 | 161.9 | 0.3 | 112.5 | ||||
| 52 | E | 31.3 | Very low | 28.6 | Very low | 183 Ų | 183 | 159 Ų | 159 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -104.6 | 145.4 | 145.7 | -69 | -170 | 132.8 | 0 | 0 | 109.9 | ||||
| 53 | N | 25.2 | Very low | 28.1 | Very low | 156 Ų | 156 | 164.6 Ų | 164.6 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | -94.5 | 127.4 | 170.1 | -80.2 | -26.3 | 0 | 0 | 0 | 109 | ||||
| 54 | V | 27.6 | Very low | 27.6 | Very low | 129 Ų | 129 | 167.2 Ų | 167.2 | 78% | 0.782 | 83% | 0.83 | S | S | * | * | trans | -131 | 113.9 | 173.9 | -180 | 0 | 0 | 0 | 0 | 109 | ||||
| 55 | Q | 26.7 | Very low | 27.4 | Very low | 180 Ų | 180 | 165.1 Ų | 165.1 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | trans | -84.8 | -172.9 | 161.5 | -69.1 | -176.6 | -92.4 | 0 | 0 | 109.6 | ||||
| 56 | I | 23.9 | Very low | 27.1 | Very low | 158 Ų | 158 | 169.7 Ų | 169.7 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | 84.4 | 129.8 | -173.8 | -52.2 | 158.6 | 0 | 0 | 0 | 110.8 | ||||
| 57 | D | 24.7 | Very low | 26.9 | Very low | 125 Ų | 125 | 166 Ų | 166 | 67% | 0.668 | 82% | 0.822 | S | S | * | * | cis | -147.1 | 164.2 | -4.2 | -124.2 | -8.7 | 0 | 0 | 0 | 110.9 | E59 | D57-E59 PolarHBondContact O-N 2.78Š| ||
| 58 | P | 22.9 | Very low | 26.9 | Very low | 124 Ų | 124 | 163.7 Ų | 163.7 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | trans | -92.8 | 32 | -177.7 | 38.3 | -33.9 | 0 | 0 | 0 | 115 | ||||
| 59 | E | 24.4 | Very low | 26.9 | Very low | 162 Ų | 162 | 165.1 Ų | 165.1 | 76% | 0.757 | 82% | 0.824 | S | S | * | * | trans | -114.7 | 86.5 | 179.5 | -71.6 | -150.9 | 140.1 | 0 | 0 | 114.3 | D57 | D57-E59 PolarHBondContact O-N 2.78Š| ||
| 60 | W | 25.8 | Very low | 27.7 | Very low | 257 Ų | 257 | 159.2 Ų | 159.2 | 97% | 0.973 | 81% | 0.807 | S | S | * | * | trans | -139.4 | 91.8 | 160.6 | -77.1 | 92 | 0 | 0 | 0 | 111.1 | ||||
| 61 | A | 22.5 | Very low | 28.3 | Very low | 106 Ų | 106 | 158.4 Ų | 158.4 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | -115.4 | 139 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 62 | G | 23.5 | Very low | 29 | Very low | 62 Ų | 62 | 151.9 Ų | 151.9 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | trans | 138.2 | 147.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 63 | F | 24.4 | Very low | 29.6 | Very low | 211 Ų | 211 | 149.8 Ų | 149.8 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | cis | -136.4 | 178.1 | 12.8 | -73.9 | -91.9 | 0 | 0 | 0 | 112.1 | ||||
| 64 | R | 24.5 | Very low | 30.5 | Very low | 253 Ų | 253 | 149.1 Ų | 149.1 | 96% | 0.955 | 76% | 0.76 | S | S | * | * | trans | -85.7 | 161.3 | -179.3 | -67.2 | -177.3 | 178.6 | 178.6 | -0.2 | 113 | ||||
| 65 | I | 25.9 | Very low | 31.4 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | -94.9 | 150.3 | -179.8 | -64.3 | 164.6 | 0 | 0 | 0 | 110.9 | ||||
| 66 | Q | 27.1 | Very low | 31.9 | Very low | 188 Ų | 188 | 148.6 Ų | 148.6 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | trans | -117.3 | 143.7 | 153.8 | -76 | -174.3 | -21.3 | 0 | 0 | 109.2 | ||||
| 67 | E | 29.8 | Very low | 32.5 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | -93.8 | 127.9 | -178.6 | -64.1 | -174.5 | 147.3 | 0 | 0 | 111.8 | ||||
| 68 | P | 34.2 | Very low | 33.4 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | trans | -81.2 | 122.9 | 167.4 | -3.1 | 21 | 0 | 0 | 0 | 110.2 | ||||
| 69 | Q | 31.4 | Very low | 34 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | trans | -93.3 | 114.7 | 173 | -62.5 | -172.8 | -1 | 0 | 0 | 110.8 | ||||
| 70 | S | 47.2 | Very low | 34.4 | Very low | 75 Ų | 75 | 145.3 Ų | 145.3 | 52% | 0.524 | 74% | 0.741 | S | S | . | * | trans | -150.4 | 154.7 | 158.5 | 97.7 | 0 | 0 | 0 | 0 | 111.9 | D72 | S70-D72 VanDerWaalsContact C-N 3.27Å; S70-D72 WeakPolarHBondContact CB-OD2 3.38Å; S70-D72 PolarHBondContact O-N 2.86Å; S70-D72 PolarHBondContact OG-OD2 2.96Å | ||
| 71 | E | 44.9 | Very low | 35 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 52% | 0.519 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | -2 | -173.2 | -165.9 | 67 | 149.2 | 0 | 0 | 113.4 | L73 K74 | E71-L73 VanDerWaalsContact C-N 3.27Å; E71-L73 PolarHBondContact O-N 3.36Å; E71-K74 PolarHBondContact O-N 3.44Å; E71-K74 WeakPolarHBondContact OE1-CD 3.46Å; E71-K74 IonicContact OE1-NZ 2.67Å; E71-K74 PolarHBondContact OE1-NZ 2.81Å; E71-K74 WeakPolarHBondContact OE2-CD 3.22Å; E71-K74 WeakPolarHBondContact OE2-CE 3.36Å; E71-K74 IonicContact OE2-NZ 2.65Å; E71-K74 PolarHBondContact OE2-NZ 2.82Å |
| 72 | D | 40.7 | Very low | 35.6 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 45% | 0.449 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -68.1 | -26.5 | -172 | -56.9 | -66.5 | 0 | 0 | 0 | 113 | S70 K74 R75 | S70-D72 VanDerWaalsContact C-N 3.27Å; S70-D72 WeakPolarHBondContact CB-OD2 3.38Å; S70-D72 PolarHBondContact O-N 2.86Å; S70-D72 PolarHBondContact OG-OD2 2.96Å; D72-K74 VanDerWaalsContact C-N 3.27Å; D72-K74 PolarHBondContact O-N 3.46Å; D72-R75 PolarHBondContact O-N 3.16Å; D72-R75 VanDerWaalsContact O-N 3.16Å; D72-R75 IonicContact OD1-NH1 3.96Å; D72-R75 PolarHBondContact OD1-NH1 3.02Å |
| 73 | L | 44.5 | Very low | 36.3 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -62.1 | -31.1 | 172.4 | -73.6 | 169.9 | 0 | 0 | 0 | 112.8 | E71 R75 | E71-L73 VanDerWaalsContact C-N 3.27Å; E71-L73 PolarHBondContact O-N 3.36Å; L73-R75 VanDerWaalsContact C-N 3.33Å; L73-R75 PolarHBondContact O-N 3.21Å |
| 74 | K | 43 | Very low | 36.6 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 62% | 0.617 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -72.3 | -25.9 | 176.6 | -64.2 | -166.4 | -170.6 | 129.9 | 0 | 112.7 | E71 D72 | E71-K74 PolarHBondContact O-N 3.44Å; E71-K74 WeakPolarHBondContact OE1-CD 3.46Å; E71-K74 IonicContact OE1-NZ 2.67Å; E71-K74 PolarHBondContact OE1-NZ 2.81Å; E71-K74 WeakPolarHBondContact OE2-CD 3.22Å; E71-K74 WeakPolarHBondContact OE2-CE 3.36Å; E71-K74 IonicContact OE2-NZ 2.65Å; E71-K74 PolarHBondContact OE2-NZ 2.82Å; D72-K74 VanDerWaalsContact C-N 3.27Å; D72-K74 PolarHBondContact O-N 3.46Å |
| 75 | R | 46.9 | Very low | 37.1 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -72.8 | -31.5 | 178.9 | -71 | 175.6 | 165.6 | 152.7 | -6.9 | 112.9 | D72 L73 A77 A78 | D72-R75 PolarHBondContact O-N 3.16Å; D72-R75 VanDerWaalsContact O-N 3.16Å; D72-R75 IonicContact OD1-NH1 3.96Å; D72-R75 PolarHBondContact OD1-NH1 3.02Å; L73-R75 VanDerWaalsContact C-N 3.33Å; L73-R75 PolarHBondContact O-N 3.21Å; R75-A77 VanDerWaalsContact C-N 3.28Å; R75-A77 PolarHBondContact O-N 3.16Å; R75-A78 PolarHBondContact O-N 3.29Å |
| 76 | L | 38.5 | Very low | 37.3 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 60% | 0.597 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -69.2 | -22.7 | -179.3 | -82.4 | 162 | 0 | 0 | 0 | 114 | A78 | L76-A78 VanDerWaalsContact C-N 3.29Å; L76-A78 PolarHBondContact O-N 2.96Å |
| 77 | A | 36.8 | Very low | 37.5 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -12.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R75 | R75-A77 VanDerWaalsContact C-N 3.28Å; R75-A77 PolarHBondContact O-N 3.16Å |
| 78 | A | 42.3 | Very low | 37.5 | Very low | 83 Ų | 83 | 129 Ų | 129 | 69% | 0.686 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -7.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R75 L76 | R75-A78 PolarHBondContact O-N 3.29Å; L76-A78 VanDerWaalsContact C-N 3.29Å; L76-A78 PolarHBondContact O-N 2.96Å |
| 79 | L | 35.7 | Very low | 37.2 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | trans | -111.3 | 90.5 | -169.5 | -76.3 | 166.7 | 0 | 0 | 0 | 113.4 | ||||
| 80 | K | 32.9 | Very low | 37.2 | Very low | 195 Ų | 195 | 130.7 Ų | 130.7 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | trans | -92.6 | 147.4 | 157.9 | -68.9 | -175.8 | 177.5 | -177 | 0 | 110.3 | ||||
| 81 | S | 38.8 | Very low | 36.1 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | -159.1 | 135.6 | 164 | 58.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 82 | D | 34.7 | Very low | 35.2 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | -95.6 | -177.9 | -169.6 | -62.2 | -77.7 | 0 | 0 | 0 | 114.2 | ||||
| 83 | E | 38.5 | Very low | 34.5 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | trans | 77.3 | 145.9 | 161.2 | -67.8 | -174.4 | 168.2 | 0 | 0 | 121.1 | ||||
| 84 | V | 30 | Very low | 33.6 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -146.6 | 128.2 | -167.9 | 172.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 85 | D | 35 | Very low | 32.9 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | trans | -100.1 | 132.8 | 161.6 | 177.2 | 20.7 | 0 | 0 | 0 | 109.9 | H87 | D85-H87 PolarHBondContact OD1-N 3.39Š| ||
| 86 | A | 29.7 | Very low | 32.1 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -108.3 | -2.2 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 87 | H | 32.2 | Very low | 31.6 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | trans | -93.4 | 3.5 | -162.9 | -137.8 | -60.3 | 0 | 0 | 0 | 116.8 | D85 | D85-H87 PolarHBondContact OD1-N 3.39Š| ||
| 88 | G | 29.4 | Very low | 31.2 | Very low | 66 Ų | 66 | 139.8 Ų | 139.8 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | -108 | 20 | -160.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 89 | L | 28.1 | Very low | 30.9 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -134.7 | 39.6 | -169.8 | -74.7 | 174.6 | 0 | 0 | 0 | 115.7 | ||||
| 90 | Q | 30.6 | Very low | 30.9 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -113.5 | 27.2 | -179.8 | -147.5 | 172.8 | 23.4 | 0 | 0 | 114.4 | ||
| 91 | M | 25.9 | Very low | 31 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | -136.7 | 168.5 | -179.8 | -74.9 | -79.3 | -83.8 | 0 | 0 | 110.6 | ||||
| 92 | F | 24.7 | Very low | 30.9 | Very low | 186 Ų | 186 | 147 Ų | 147 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | 82.6 | 24 | 173.5 | -56.1 | -78.3 | 0 | 0 | 0 | 119.2 | ||||
| 93 | F | 26.5 | Very low | 31.1 | Very low | 209 Ų | 209 | 149.6 Ų | 149.6 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -104 | 100.4 | 161.9 | -71.1 | -74.2 | 0 | 0 | 0 | 111.7 | ||||
| 94 | A | 25.5 | Very low | 31 | Very low | 77 Ų | 77 | 146.2 Ų | 146.2 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | -153 | 120.4 | 164 | 0 | 0 | 0 | 0 | 0 | 110.4 | R148 | A94-R148 PolarHBondContact O-NH2 3.01Å; A94-R148 VanDerWaalsContact O-NH2 3.17Å | ||
| 95 | I | 28.8 | Very low | 31.4 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | -147.1 | 126.3 | 142.1 | -56.8 | -174.8 | 0 | 0 | 0 | 103.3 | ||||
| 96 | P | 28.6 | Very low | 31.5 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -78.8 | 162.3 | 178 | 33.4 | -35.2 | 0 | 0 | 0 | 112 | ||||
| 97 | D | 28.2 | Very low | 32.1 | Very low | 157 Ų | 157 | 151.2 Ų | 151.2 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | trans | -77.4 | -180 | 174.5 | -60.8 | -68.2 | 0 | 0 | 0 | 113.3 | ||||
| 98 | S | 29.8 | Very low | 31.9 | Very low | 105 Ų | 105 | 152.4 Ų | 152.4 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | 73.6 | 106.8 | 170.8 | 76.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 99 | V | 35.8 | Very low | 32.1 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | -133.4 | 140.5 | 119.3 | -178.7 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 100 | E | 34.6 | Very low | 32.3 | Very low | 166 Ų | 166 | 151.2 Ų | 151.2 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -95.9 | 147.1 | -164.3 | -62.8 | 177.7 | 148.6 | 0 | 0 | 115.1 | ||||
| 101 | D | 34.8 | Very low | 32.3 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | 49.2 | 114.9 | 141.9 | -67.9 | 10.9 | 0 | 0 | 0 | 123.6 | ||||
| 102 | E | 38.3 | Very low | 32.7 | Very low | 201 Ų | 201 | 149.7 Ų | 149.7 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -122.4 | 155.5 | 137.1 | -76.7 | -159.5 | 140.8 | 0 | 0 | 110.7 | ||||
| 103 | K | 38.5 | Very low | 33.4 | Very low | 204 Ų | 204 | 144.5 Ų | 144.5 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -81 | 159 | -162 | -96.8 | -177.1 | 175.1 | 175.1 | 0 | 115.7 | ||||
| 104 | P | 35.9 | Very low | 33.6 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -83.9 | 155.4 | -166.2 | 34 | -37.4 | 0 | 0 | 0 | 114.8 | ||||
| 105 | L | 39.1 | Very low | 34.2 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 94% | 0.942 | 76% | 0.763 | S | S | * | * | trans | -116.7 | 128 | 161.4 | -82 | 164.4 | 0 | 0 | 0 | 109.1 | ||||
| 106 | S | 37.3 | Very low | 34.7 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | -92.3 | 119.5 | -171.8 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 107 | I | 40.6 | Very low | 35.1 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | -146.6 | 132.2 | 146.1 | -89.9 | 138.9 | 0 | 0 | 0 | 105.7 | A109 | I107-A109 PolarHBondContact O-N 2.76Å; I107-A109 VanDerWaalsContact O-N 3.14Å | ||
| 108 | E | 29.7 | Very low | 35.4 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 91% | 0.911 | 72% | 0.722 | S | S | * | * | trans | -78.6 | 99.8 | -171.2 | -63.6 | -174.2 | 153.9 | 0 | 0 | 112.2 | P110 | E108-P110 WeakPolarHBondContact O-CD 3.48Š| ||
| 109 | A | 33.3 | Very low | 35.7 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | trans | -95.3 | 109.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | I107 | I107-A109 PolarHBondContact O-N 2.76Å; I107-A109 VanDerWaalsContact O-N 3.14Å | ||
| 110 | P | 31.5 | Very low | 36.1 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | trans | -67.8 | 152.9 | -179.8 | 27.7 | -34.7 | 0 | 0 | 0 | 111.9 | E108 Y112 | E108-P110 WeakPolarHBondContact O-CD 3.48Å; P110-Y112 PolarHBondContact O-N 2.86Å | ||
| 111 | P | 31.7 | Very low | 36.5 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | trans | -61.2 | 135.3 | -177.7 | 24.2 | -33.8 | 0 | 0 | 0 | 112.3 | N113 | P111-N113 PolarHBondContact O-N 3.34Š| ||
| 112 | Y | 34.4 | Very low | 36.6 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 70% | 0.698 | 69% | 0.688 | S | S | * | * | trans | -57.2 | 104.3 | -174.1 | -179.4 | -100.7 | 0 | 0 | 0 | 112.8 | P110 M114 L118 | P110-Y112 PolarHBondContact O-N 2.86Å; Y112-M114 HydrophobicContact CD1-CG 3.67Å; Y112-M114 HydrophobicContact CE1-CG 3.75Å; Y112-M114 PolarHBondContact O-N 2.83Å; Y112-M114 VanDerWaalsContact O-N 3.08Å; Y112-L118 HydrophobicContact CE2-CD1 3.93Å | ||
| 113 | N | 37.9 | Very low | 36.4 | Very low | 77 Ų | 77 | 124.4 Ų | 124.4 | 41% | 0.412 | 67% | 0.673 | S | S | . | * | trans | -81.3 | 89.1 | -174.3 | -179.1 | 1.2 | 0 | 0 | 0 | 111.7 | P111 V115 T116 | P111-N113 PolarHBondContact O-N 3.34Å; N113-V115 PolarHBondContact O-N 3.34Å; N113-V115 WeakPolarHBondContact OD1-CG2 3.13Å; N113-V115 PolarHBondContact OD1-N 2.61Å; N113-T116 PolarHBondContact ND2-OG1 3Å; N113-T116 PolarHBondContact O-N 2.55Å | ||
| 114 | M | 31.7 | Very low | 36.3 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 66% | 0.66 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -12.2 | -177.1 | -57 | -160.2 | -54.9 | 0 | 0 | 115.7 | Y112 | Y112-M114 HydrophobicContact CD1-CG 3.67Å; Y112-M114 HydrophobicContact CE1-CG 3.75Å; Y112-M114 PolarHBondContact O-N 2.83Å; Y112-M114 VanDerWaalsContact O-N 3.08Å |
| 115 | V | 38.6 | Very low | 36.3 | Very low | 50 Ų | 50 | 119.5 Ų | 119.5 | 30% | 0.303 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98 | 4.8 | 175.2 | -70.2 | 0 | 0 | 0 | 0 | 113.1 | N113 R123 C124 F127 | N113-V115 PolarHBondContact O-N 3.34Å; N113-V115 WeakPolarHBondContact OD1-CG2 3.13Å; N113-V115 PolarHBondContact OD1-N 2.61Å; V115-R123 HydrophobicContact CG2-CG 4.39Å; V115-R123 CarbonylContact O-C 3.46Å; V115-R123 WeakPolarHBondContact O-CA 3.48Å; V115-C124 WeakPolarHBondContact CB-O 3.41Å; V115-C124 PolarHBondContact O-N 2.8Å; V115-F127 HydrophobicContact CG1-CB 4.49Å |
| 116 | T | 38.3 | Very low | 36.1 | Very low | 37 Ų | 37 | 115 Ų | 115 | 23% | 0.227 | 63% | 0.634 | C | S | . | * | B | Isolated β-bridge | trans | -120 | 129.1 | 176.6 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | N113 L118 G121 V122 | N113-T116 PolarHBondContact ND2-OG1 3Å; N113-T116 PolarHBondContact O-N 2.55Å; T116-L118 PolarHBondContact O-N 2.87Å; T116-G121 WeakPolarHBondContact CG2-O 3.34Å; T116-V122 WeakPolarHBondContact CA-O 3.21Å |
| 117 | N | 37.9 | Very low | 35.7 | Very low | 83 Ų | 83 | 114.5 Ų | 114.5 | 44% | 0.444 | 62% | 0.618 | S | S | . | * | trans | -76.2 | 114.8 | 178.5 | -179.7 | -21.5 | 0 | 0 | 0 | 111.4 | K119 T120 G121 V122 | N117-K119 PolarHBondContact O-N 2.82Å; N117-K119 VanDerWaalsContact O-N 3.08Å; N117-K119 PolarHBondContact OD1-N 3.13Å; N117-T120 WeakPolarHBondContact CB-OG1 3.19Å; N117-T120 VanDerWaalsContact CG-OG1 3.26Å; N117-T120 PolarHBondContact ND2-OG1 2.86Å; N117-T120 PolarHBondContact O-N 3.15Å; N117-T120 VanDerWaalsContact O-N 3.12Å; N117-G121 PolarHBondContact O-N 3.18Å; N117-V122 PolarHBondContact N-O 3.22Å | ||
| 118 | L | 34.2 | Very low | 35.4 | Very low | 145 Ų | 145 | 110.9 Ų | 110.9 | 76% | 0.759 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -13 | -177.9 | -67.3 | 172.5 | 0 | 0 | 0 | 115.5 | Y112 T116 | Y112-L118 HydrophobicContact CE2-CD1 3.93Å; T116-L118 PolarHBondContact O-N 2.87Å |
| 119 | K | 34.8 | Very low | 35.4 | Very low | 202 Ų | 202 | 110.8 Ų | 110.8 | 88% | 0.878 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -18.7 | 174.9 | -94.8 | -169.9 | 172.2 | -172.2 | 0 | 114.5 | N117 | N117-K119 PolarHBondContact O-N 2.82Å; N117-K119 VanDerWaalsContact O-N 3.08Å; N117-K119 PolarHBondContact OD1-N 3.13Å |
| 120 | T | 45.1 | Very low | 35.2 | Very low | 85 Ų | 85 | 109.5 Ų | 109.5 | 52% | 0.521 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.3 | -9 | -169.9 | 65.7 | 0 | 0 | 0 | 0 | 114.4 | N117 V122 | N117-T120 WeakPolarHBondContact CB-OG1 3.19Å; N117-T120 VanDerWaalsContact CG-OG1 3.26Å; N117-T120 PolarHBondContact ND2-OG1 2.86Å; N117-T120 PolarHBondContact O-N 3.15Å; N117-T120 VanDerWaalsContact O-N 3.12Å; T120-V122 PolarHBondContact O-N 2.8Å; T120-V122 VanDerWaalsContact O-N 3.1Å; T120-V122 WeakPolarHBondContact OG1-CG2 3.27Å; T120-V122 PolarHBondContact OG1-N 2.76Å |
| 121 | G | 42.3 | Very low | 35.1 | Very low | 57 Ų | 57 | 111 Ų | 111 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | trans | 71 | -7.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T116 N117 R123 | T116-G121 WeakPolarHBondContact CG2-O 3.34Å; N117-G121 PolarHBondContact O-N 3.18Å; G121-R123 PolarHBondContact O-N 3.29Å | ||
| 122 | V | 36.8 | Very low | 35 | Very low | 93 Ų | 93 | 114 Ų | 114 | 56% | 0.564 | 58% | 0.579 | S | S | * | * | trans | -65.5 | 130.9 | -175.5 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | T116 N117 T120 | T116-V122 WeakPolarHBondContact CA-O 3.21Å; N117-V122 PolarHBondContact N-O 3.22Å; T120-V122 PolarHBondContact O-N 2.8Å; T120-V122 VanDerWaalsContact O-N 3.1Å; T120-V122 WeakPolarHBondContact OG1-CG2 3.27Å; T120-V122 PolarHBondContact OG1-N 2.76Å | ||
| 123 | R | 35.5 | Very low | 34.9 | Very low | 165 Ų | 165 | 113.5 Ų | 113.5 | 62% | 0.623 | 58% | 0.577 | S | S | * | * | B | Isolated β-bridge | trans | -104.1 | 137.7 | -179.7 | -162.6 | -178.3 | -165 | -163.7 | 7.6 | 110.2 | V115 G121 | V115-R123 HydrophobicContact CG2-CG 4.39Å; V115-R123 CarbonylContact O-C 3.46Å; V115-R123 WeakPolarHBondContact O-CA 3.48Å; G121-R123 PolarHBondContact O-N 3.29Å |
| 124 | C | 36.6 | Very low | 34.4 | Very low | 81 Ų | 81 | 114.1 Ų | 114.1 | 55% | 0.547 | 58% | 0.579 | S | S | . | * | trans | -122.7 | 122.1 | -173.5 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | V115 | V115-C124 WeakPolarHBondContact CB-O 3.41Å; V115-C124 PolarHBondContact O-N 2.8Å | ||
| 125 | E | 34.3 | Very low | 34.4 | Very low | 141 Ų | 141 | 109.4 Ų | 109.4 | 66% | 0.659 | 56% | 0.559 | S | S | * | * | trans | -97.4 | -1.3 | -157.5 | -53.9 | -156.6 | 134.5 | 0 | 0 | 116.1 | ||||
| 126 | S | 35.1 | Very low | 34.3 | Very low | 85 Ų | 85 | 108.9 Ų | 108.9 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | trans | -131.4 | 50.7 | -173.2 | -156.5 | 0 | 0 | 0 | 0 | 115.3 | S128 | S126-S128 PolarHBondContact O-N 3.18Š| ||
| 127 | F | 30.4 | Very low | 34.3 | Very low | 107 Ų | 107 | 115.5 Ų | 115.5 | 47% | 0.469 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.2 | 2.1 | 173.1 | -142.5 | -93.9 | 0 | 0 | 0 | 114 | V115 K131 | V115-F127 HydrophobicContact CG1-CB 4.49Å; F127-K131 WeakPolarHBondContact O-CB 3.19Å |
| 128 | S | 33.1 | Very low | 34.3 | Very low | 89 Ų | 89 | 117.7 Ų | 117.7 | 62% | 0.622 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -87.3 | -25.6 | -163.7 | -54.4 | 0 | 0 | 0 | 0 | 115.4 | S126 | S126-S128 PolarHBondContact O-N 3.18Å |
| 129 | R | 30.9 | Very low | 34.5 | Very low | 192 Ų | 192 | 111.9 Ų | 111.9 | 73% | 0.725 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -97.8 | -38.7 | 178 | -81.8 | 179.9 | 168.3 | 172.4 | -4 | 112.9 | K131 R132 Y133 | R129-K131 VanDerWaalsContact C-N 3.28Å; R129-K131 PolarHBondContact O-N 2.98Å; R129-R132 WeakPolarHBondContact O-CB 3.33Å; R129-R132 PolarHBondContact O-N 2.81Å; R129-Y133 WeakPolarHBondContact O-CE2 3.1Å |
| 130 | A | 27.5 | Very low | 34.6 | Very low | 65 Ų | 65 | 104.8 Ų | 104.8 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -33.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R132 Y133 | A130-R132 PolarHBondContact O-N 3.21Å; A130-Y133 PolarHBondContact O-N 3.25Å |
| 131 | K | 30.8 | Very low | 34.2 | Very low | 143 Ų | 143 | 106.4 Ų | 106.4 | 62% | 0.622 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -16.1 | 178.8 | -157.5 | 171.5 | -171.5 | 174.9 | 0 | 114.7 | F127 R129 | F127-K131 WeakPolarHBondContact O-CB 3.19Å; R129-K131 VanDerWaalsContact C-N 3.28Å; R129-K131 PolarHBondContact O-N 2.98Å |
| 132 | R | 29.8 | Very low | 34.1 | Very low | 186 Ų | 186 | 105.8 Ų | 105.8 | 70% | 0.702 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -11.3 | 177.1 | -57.1 | -179.9 | -176.2 | -155.8 | -3.8 | 114.1 | R129 A130 | R129-R132 WeakPolarHBondContact O-CB 3.33Å; R129-R132 PolarHBondContact O-N 2.81Å; A130-R132 PolarHBondContact O-N 3.21Å |
| 133 | Y | 30.5 | Very low | 34.2 | Very low | 167 Ų | 167 | 103.1 Ų | 103.1 | 66% | 0.655 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | -10.2 | -169.7 | -57.3 | -72.5 | 0 | 0 | 0 | 114.8 | R129 A130 K343 | R129-Y133 WeakPolarHBondContact O-CE2 3.1Å; A130-Y133 PolarHBondContact O-N 3.25Å; Y133-K343 WeakPolarHBondContact O-CD 3.3Å; Y133-K343 WeakPolarHBondContact O-CE 3.4Å; Y133-K343 PolarHBondContact O-NZ 3.32Å |
| 134 | L | 28.6 | Very low | 34.4 | Very low | 89 Ų | 89 | 98 Ų | 98 | 47% | 0.466 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -57 | 163.2 | 166.8 | -69.9 | 169 | 0 | 0 | 0 | 111.1 | S136 K343 | L134-S136 PolarHBondContact O-N 3.08Å; L134-S136 VanDerWaalsContact O-N 3.14Å; L134-K343 PolarHBondContact O-NZ 3.14Å |
| 135 | P | 31.2 | Very low | 34.3 | Very low | 36 Ų | 36 | 96.3 Ų | 96.3 | 23% | 0.234 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -55.5 | 119.5 | 158.2 | -16.3 | 30.4 | 0 | 0 | 0 | 106.9 | L139 V140 F340 | P135-L139 HydrophobicContact CB-CD2 4.34Å; P135-V140 HydrophobicContact CB-CG2 4.36Å; P135-F340 HydrophobicContact CG-CD2 4.35Å; P135-F340 HydrophobicContact CG-CE2 4.4Å |
| 136 | S | 36.4 | Very low | 34.4 | Very low | 39 Ų | 39 | 96.9 Ų | 96.9 | 27% | 0.273 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -66 | 161.8 | -167.1 | 79 | 0 | 0 | 0 | 0 | 111.3 | L134 E138 L139 V140 | L134-S136 PolarHBondContact O-N 3.08Å; L134-S136 VanDerWaalsContact O-N 3.14Å; S136-E138 WeakPolarHBondContact CB-OE2 3.47Å; S136-E138 PolarHBondContact O-N 3.44Å; S136-E138 VanDerWaalsContact OG-CD 3.28Å; S136-E138 PolarHBondContact OG-N 3.22Å; S136-E138 PolarHBondContact OG-OE2 3.09Å; S136-L139 PolarHBondContact O-N 2.98Å; S136-L139 PolarHBondContact OG-N 2.78Å; S136-V140 PolarHBondContact O-N 2.85Å |
| 137 | R | 38.7 | Very low | 34.5 | Very low | 175 Ų | 175 | 94.5 Ų | 94.5 | 66% | 0.66 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -58 | -34.4 | 175.5 | -151.2 | -177 | 169 | -165 | -8.3 | 109.4 | Y141 | R137-Y141 HydrophobicContact CG-CD2 3.94Å; R137-Y141 HydrophobicContact CG-CE2 3.53Å; R137-Y141 VanDerWaalsContact NE-CE2 3.27Å; R137-Y141 PolarHBondContact NE-OH 2.97Å; R137-Y141 VanDerWaalsContact NE-OH 3.07Å; R137-Y141 PolarHBondContact NH2-OH 2.92Å; R137-Y141 WeakPolarHBondContact O-CB 3.49Å; R137-Y141 VanDerWaalsContact O-CD2 3.28Å; R137-Y141 WeakPolarHBondContact O-CD2 3.49Å; R137-Y141 PolarHBondContact O-N 2.83Å |
| 138 | E | 37.2 | Very low | 34.9 | Very low | 129 Ų | 129 | 95.5 Ų | 95.5 | 60% | 0.603 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -70.9 | -29.5 | 172.3 | -36.4 | 75.6 | -108.3 | 0 | 0 | 114.4 | S136 Y141 A142 | S136-E138 WeakPolarHBondContact CB-OE2 3.47Å; S136-E138 PolarHBondContact O-N 3.44Å; S136-E138 VanDerWaalsContact OG-CD 3.28Å; S136-E138 PolarHBondContact OG-N 3.22Å; S136-E138 PolarHBondContact OG-OE2 3.09Å; E138-Y141 CarbonylContact O-C 3.51Å; E138-A142 WeakPolarHBondContact O-CA 3.44Å; E138-A142 WeakPolarHBondContact O-CB 3.48Å; E138-A142 PolarHBondContact O-N 2.89Å |
| 139 | L | 39.2 | Very low | 35.4 | Very low | 24 Ų | 24 | 94.5 Ų | 94.5 | 13% | 0.126 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -73 | -43.8 | 175.2 | -168.6 | 157.6 | 0 | 0 | 0 | 110.7 | P135 S136 A142 S143 L336 | P135-L139 HydrophobicContact CB-CD2 4.34Å; S136-L139 PolarHBondContact O-N 2.98Å; S136-L139 PolarHBondContact OG-N 2.78Å; L139-A142 PolarHBondContact O-N 2.8Å; L139-S143 PolarHBondContact O-N 2.83Å; L139-S143 PolarHBondContact O-OG 2.88Å; L139-L336 HydrophobicContact CD1-CB 4.15Å; L139-L336 HydrophobicContact CD1-CD2 3.94Å; L139-L336 HydrophobicContact CG-CB 4.27Å; L139-L336 HydrophobicContact CG-CD1 4.29Å; L139-L336 HydrophobicContact CG-CD2 3.99Å; L139-L336 HydrophobicContact CG-CG 4.38Å |
| 140 | V | 36.6 | Very low | 35.6 | Very low | 53 Ų | 53 | 90.1 Ų | 90.1 | 32% | 0.321 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 173.1 | 175.4 | 0 | 0 | 0 | 0 | 110 | P135 S136 S143 I144 | P135-V140 HydrophobicContact CB-CG2 4.36Å; S136-V140 PolarHBondContact O-N 2.85Å; V140-S143 PolarHBondContact O-N 2.9Å; V140-I144 HydrophobicContact CG1-CD1 3.59Å; V140-I144 WeakPolarHBondContact O-CB 3.23Å; V140-I144 WeakPolarHBondContact O-CG1 3.49Å; V140-I144 PolarHBondContact O-N 2.8Å |
| 141 | Y | 37.8 | Very low | 36.1 | Very low | 119 Ų | 119 | 95.3 Ų | 95.3 | 47% | 0.467 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -78 | -19.6 | 175.6 | -65.8 | -27.1 | 0 | 0 | 0 | 115.2 | R137 E138 S143 G145 | R137-Y141 HydrophobicContact CG-CD2 3.94Å; R137-Y141 HydrophobicContact CG-CE2 3.53Å; R137-Y141 VanDerWaalsContact NE-CE2 3.27Å; R137-Y141 PolarHBondContact NE-OH 2.97Å; R137-Y141 VanDerWaalsContact NE-OH 3.07Å; R137-Y141 PolarHBondContact NH2-OH 2.92Å; R137-Y141 WeakPolarHBondContact O-CB 3.49Å; R137-Y141 VanDerWaalsContact O-CD2 3.28Å; R137-Y141 WeakPolarHBondContact O-CD2 3.49Å; R137-Y141 PolarHBondContact O-N 2.83Å; E138-Y141 CarbonylContact O-C 3.51Å; Y141-S143 PolarHBondContact O-N 2.86Å; Y141-G145 WeakPolarHBondContact O-CA 3.32Å; Y141-G145 PolarHBondContact O-N 2.96Å |
| 142 | A | 38.5 | Very low | 36.4 | Very low | 43 Ų | 43 | 90.4 Ų | 90.4 | 36% | 0.355 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.7 | -25.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | E138 L139 K146 | E138-A142 WeakPolarHBondContact O-CA 3.44Å; E138-A142 WeakPolarHBondContact O-CB 3.48Å; E138-A142 PolarHBondContact O-N 2.89Å; L139-A142 PolarHBondContact O-N 2.8Å; A142-K146 WeakPolarHBondContact O-CD 3.46Å; A142-K146 WeakPolarHBondContact O-CG 3.43Å |
| 143 | S | 39 | Very low | 37.7 | Very low | 38 Ų | 38 | 87.4 Ų | 87.4 | 27% | 0.266 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -89.8 | -44.4 | 177.1 | -50.9 | 0 | 0 | 0 | 0 | 111.8 | L139 V140 Y141 | L139-S143 PolarHBondContact O-N 2.83Å; L139-S143 PolarHBondContact O-OG 2.88Å; V140-S143 PolarHBondContact O-N 2.9Å; Y141-S143 PolarHBondContact O-N 2.86Å |
| 144 | I | 39.3 | Very low | 39.5 | Very low | 56 Ų | 56 | 84.5 Ų | 84.5 | 29% | 0.287 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -92.5 | -37.7 | -177 | -60.8 | 168.1 | 0 | 0 | 0 | 112.4 | V140 K146 F147 P258 | V140-I144 HydrophobicContact CG1-CD1 3.59Å; V140-I144 WeakPolarHBondContact O-CB 3.23Å; V140-I144 WeakPolarHBondContact O-CG1 3.49Å; V140-I144 PolarHBondContact O-N 2.8Å; I144-K146 VanDerWaalsContact C-N 3.28Å; I144-K146 PolarHBondContact O-N 3.35Å; I144-F147 CarbonylContact O-C 3.54Å; I144-F147 VanDerWaalsContact O-C 3.28Å; I144-F147 VanDerWaalsContact O-CA 3.24Å; I144-F147 WeakPolarHBondContact O-CA 3.36Å; I144-F147 WeakPolarHBondContact O-CB 3.45Å; I144-F147 PolarHBondContact O-N 2.99Å; I144-P258 HydrophobicContact CD1-CG 3.54Å; I144-P258 HydrophobicContact CG1-CG 4.38Å |
| 145 | G | 35.6 | Very low | 41.7 | Very low | 46 Ų | 46 | 81.8 Ų | 81.8 | 47% | 0.474 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -17 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y141 F147 | Y141-G145 WeakPolarHBondContact O-CA 3.32Å; Y141-G145 PolarHBondContact O-N 2.96Å; G145-F147 VanDerWaalsContact C-N 3.27Å |
| 146 | K | 36.2 | Very low | 44.3 | Very low | 153 Ų | 153 | 82.7 Ų | 82.7 | 67% | 0.665 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -16.6 | 160.7 | -73.8 | -169.8 | 177.3 | -170.1 | 0 | 113.2 | A142 I144 | A142-K146 WeakPolarHBondContact O-CD 3.46Å; A142-K146 WeakPolarHBondContact O-CG 3.43Å; I144-K146 VanDerWaalsContact C-N 3.28Å; I144-K146 PolarHBondContact O-N 3.35Å |
| 147 | F | 36.7 | Very low | 46.8 | Very low | 35 Ų | 35 | 81 Ų | 81 | 15% | 0.154 | 41% | 0.414 | C | S | . | . | trans | -103.3 | 60.5 | -180 | -168.4 | -108.6 | 0 | 0 | 0 | 110.9 | I144 G145 I149 F172 A174 L175 F262 | I144-F147 CarbonylContact O-C 3.54Å; I144-F147 VanDerWaalsContact O-C 3.28Å; I144-F147 VanDerWaalsContact O-CA 3.24Å; I144-F147 WeakPolarHBondContact O-CA 3.36Å; I144-F147 WeakPolarHBondContact O-CB 3.45Å; I144-F147 PolarHBondContact O-N 2.99Å; G145-F147 VanDerWaalsContact C-N 3.27Å; F147-I149 HydrophobicContact CD1-CG1 4.09Å; F147-I149 HydrophobicContact CE1-CD1 3.71Å; F147-I149 HydrophobicContact CE1-CG1 3.45Å; F147-I149 VanDerWaalsContact CE1-CG1 3.45Å; F147-I149 HydrophobicContact CZ-CD1 4.21Å; F147-I149 HydrophobicContact CZ-CG1 3.78Å; F147-I149 PolarHBondContact O-N 2.83Å; F147-F172 HydrophobicContact CE1-CD2 4.2Å; F147-F172 HydrophobicContact CE2-CB 3.58Å; F147-F172 HydrophobicContact CE2-CD1 4.01Å; F147-F172 HydrophobicContact CE2-CD2 4.01Å; F147-F172 AromaticContact CE2-CG 3.6Å; F147-F172 HydrophobicContact CE2-CG 3.6Å; F147-F172 HydrophobicContact CZ-CB 3.82Å; F147-F172 AromaticContact CZ-CD1 3.99Å; F147-F172 HydrophobicContact CZ-CD1 3.99Å; F147-F172 AromaticContact CZ-CD2 3.33Å; F147-F172 HydrophobicContact CZ-CD2 3.33Å; F147-F172 HydrophobicContact CZ-CE1 4.41Å; F147-F172 AromaticContact CZ-CE2 3.82Å; F147-F172 HydrophobicContact CZ-CE2 3.82Å; F147-F172 AromaticContact CZ-CG 3.43Å; F147-F172 HydrophobicContact CZ-CG 3.43Å; F147-F172 VanDerWaalsContact CZ-CG 3.43Å; F147-F172 HydrophobicContact CZ-CZ 4.33Å; F147-A174 HydrophobicContact CD2-CB 4.19Å; F147-L175 HydrophobicContact CD1-CD1 4.38Å; F147-L175 HydrophobicContact CD1-CD2 4.44Å; F147-L175 HydrophobicContact CE1-CD1 4.21Å; F147-L175 HydrophobicContact CG-CD2 4.29Å; F147-L175 HydrophobicContact CZ-CD1 4.47Å; F147-F262 HydrophobicContact CE1-CE2 4.4Å; F147-F262 AromaticContact CE1-CZ 3.91Å; F147-F262 HydrophobicContact CE1-CZ 3.91Å | ||
| 148 | R | 39 | Very low | 49.3 | Very low | 128 Ų | 128 | 73.8 Ų | 73.8 | 48% | 0.483 | 39% | 0.39 | S | S | . | . | trans | -69.4 | 114.6 | 162.4 | -86.7 | 172.3 | 168.6 | -126 | 7.4 | 107.8 | A94 L150 | A94-R148 PolarHBondContact O-NH2 3.01Å; A94-R148 VanDerWaalsContact O-NH2 3.17Å; R148-L150 HydrophobicContact CB-CB 4.4Å; R148-L150 HydrophobicContact CB-CD1 4.05Å; R148-L150 HydrophobicContact CB-CG 4.02Å; R148-L150 HydrophobicContact CG-CD1 4.07Å; R148-L150 HydrophobicContact CG-CG 4.46Å; R148-L150 VanDerWaalsContact NH1-CD1 3.32Å; R148-L150 PolarHBondContact O-N 2.9Å | ||
| 149 | I | 44.9 | Very low | 52 | Low | 69 Ų | 69 | 68.1 Ų | 68.1 | 35% | 0.354 | 36% | 0.364 | S | S | . | . | trans | -78.2 | 61.3 | 168.9 | -44.6 | 176.3 | 0 | 0 | 0 | 108.7 | F147 F262 V297 | F147-I149 HydrophobicContact CD1-CG1 4.09Å; F147-I149 HydrophobicContact CE1-CD1 3.71Å; F147-I149 HydrophobicContact CE1-CG1 3.45Å; F147-I149 VanDerWaalsContact CE1-CG1 3.45Å; F147-I149 HydrophobicContact CZ-CD1 4.21Å; F147-I149 HydrophobicContact CZ-CG1 3.78Å; F147-I149 PolarHBondContact O-N 2.83Å; I149-F262 HydrophobicContact CD1-CE1 4.01Å; I149-V297 HydrophobicContact CG2-CB 4.06Å; I149-V297 HydrophobicContact CG2-CG1 3.95Å; I149-V297 HydrophobicContact CG2-CG2 3.78Å | ||
| 150 | L | 34.9 | Very low | 54.6 | Low | 99 Ų | 99 | 69.1 Ų | 69.1 | 52% | 0.518 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -113.7 | 105.1 | 178.4 | -65.8 | 178.2 | 0 | 0 | 0 | 108.3 | R148 A152 | R148-L150 HydrophobicContact CB-CB 4.4Å; R148-L150 HydrophobicContact CB-CD1 4.05Å; R148-L150 HydrophobicContact CB-CG 4.02Å; R148-L150 HydrophobicContact CG-CD1 4.07Å; R148-L150 HydrophobicContact CG-CG 4.46Å; R148-L150 VanDerWaalsContact NH1-CD1 3.32Å; R148-L150 PolarHBondContact O-N 2.9Å; L150-A152 PolarHBondContact O-N 2.96Å |
| 151 | E | 37.1 | Very low | 57.3 | Low | 175 Ų | 175 | 68 Ų | 68 | 82% | 0.818 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 48.4 | 30 | 161.1 | -58.7 | 179.1 | 166 | 0 | 0 | 115.3 | T153 | E151-T153 PolarHBondContact O-N 3.35Š|
| 152 | A | 38.4 | Very low | 59.8 | Low | 39 Ų | 39 | 64 Ų | 64 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | trans | -76.4 | 96.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L150 Q154 T155 | L150-A152 PolarHBondContact O-N 2.96Å; A152-Q154 PolarHBondContact O-N 2.89Å; A152-Q154 VanDerWaalsContact O-N 3.15Å; A152-T155 WeakPolarHBondContact CB-OG1 3.27Å; A152-T155 PolarHBondContact O-OG1 3.3Å | ||
| 153 | T | 56 | Low | 62.2 | Low | 123 Ų | 123 | 68 Ų | 68 | 76% | 0.755 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 114.7 | 178.4 | 44.5 | 0 | 0 | 0 | 0 | 111 | E151 | E151-T153 PolarHBondContact O-N 3.35Š|
| 154 | Q | 68.1 | Low | 64.4 | Low | 106 Ų | 106 | 66.9 Ų | 66.9 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 61.9 | 177.6 | -61 | -163.9 | 33.2 | 0 | 0 | 115.6 | A152 N294 T296 | A152-Q154 PolarHBondContact O-N 2.89Å; A152-Q154 VanDerWaalsContact O-N 3.15Å; Q154-N294 HydrophobicContact CB-CB 3.89Å; Q154-N294 HydrophobicContact CG-CB 4.42Å; Q154-N294 PolarHBondContact OE1-ND2 3.44Å; Q154-N294 VanDerWaalsContact OE1-ND2 3.16Å; Q154-T296 PolarHBondContact N-OG1 2.83Å; Q154-T296 VanDerWaalsContact N-OG1 3.13Å |
| 155 | T | 75.5 | Confident | 66.6 | Low | 32 Ų | 32 | 65.6 Ų | 65.6 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 131 | 171.3 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | A152 F172 N294 A295 | A152-T155 WeakPolarHBondContact CB-OG1 3.27Å; A152-T155 PolarHBondContact O-OG1 3.3Å; T155-F172 HydrophobicContact CG2-CD1 3.79Å; T155-N294 CarbonylContact O-C 3.53Å; T155-N294 WeakPolarHBondContact O-CA 3.47Å; T155-A295 PolarHBondContact N-O 2.84Å; T155-A295 PolarHBondContact O-N 2.72Å |
| 156 | P | 86.2 | Confident | 69.1 | Low | 55 Ų | 55 | 70.4 Ų | 70.4 | 36% | 0.357 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 134.7 | 174.5 | -25.4 | 35.3 | 0 | 0 | 0 | 113.5 | E173 | P156-E173 HydrophobicContact CB-CB 4.06Å; P156-E173 WeakPolarHBondContact CB-OE2 3.49Å; P156-E173 PolarHBondContact O-N 2.93Å |
| 157 | I | 87.3 | Confident | 71.6 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.6 | -180 | 55.8 | 154.8 | 0 | 0 | 0 | 112.2 | V170 F172 L293 A295 L309 | I157-V170 HydrophobicContact CB-CB 4.36Å; I157-V170 HydrophobicContact CD1-CB 4.23Å; I157-V170 HydrophobicContact CD1-CG1 3.77Å; I157-V170 HydrophobicContact CG2-CG2 4.37Å; I157-F172 HydrophobicContact CG2-CD1 3.57Å; I157-F172 HydrophobicContact CG2-CE1 3.83Å; I157-F172 HydrophobicContact CG2-CG 4.13Å; I157-L293 HydrophobicContact CD1-CB 4.13Å; I157-L293 HydrophobicContact CG1-CB 3.88Å; I157-L293 VanDerWaalsContact CG1-O 3.23Å; I157-L293 WeakPolarHBondContact CG1-O 3.47Å; I157-L293 PolarHBondContact N-O 2.98Å; I157-A295 HydrophobicContact CD1-CB 3.8Å; I157-A295 HydrophobicContact CG1-CB 4.02Å; I157-A295 HydrophobicContact CG2-CB 4.04Å; I157-L309 HydrophobicContact CD1-CD2 3.95Å |
| 158 | T | 92 | Very high | 74.3 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.5 | 160.4 | -56.5 | 0 | 0 | 0 | 0 | 108.9 | L160 V170 R171 R290 R291 | T158-L160 HydrophobicContact CG2-CD2 4.19Å; T158-V170 CarbonylContact O-C 3.38Å; T158-V170 VanDerWaalsContact O-CA 3.29Å; T158-V170 WeakPolarHBondContact O-CA 3.32Å; T158-R171 PolarHBondContact N-O 3.23Å; T158-R171 PolarHBondContact O-N 2.94Å; T158-R290 WeakPolarHBondContact CA-O 3.38Å; T158-R291 HydrophobicContact CG2-CG 4.44Å |
| 159 | L | 93.4 | Very high | 76.9 | Confident | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.7 | 166.5 | 173.7 | 73.1 | 0 | 0 | 0 | 108.8 | W162 F168 V170 I286 L287 R290 L293 | L159-W162 HydrophobicContact CD1-CB 4.46Å; L159-W162 HydrophobicContact CD1-CE3 4.1Å; L159-W162 HydrophobicContact CD2-CB 4.49Å; L159-W162 HydrophobicContact CD2-CE3 4.35Å; L159-F168 HydrophobicContact CD1-CB 4.1Å; L159-F168 HydrophobicContact CD1-CD2 3.65Å; L159-F168 HydrophobicContact CD1-CG 4.24Å; L159-V170 HydrophobicContact CD1-CG1 4.42Å; L159-I286 HydrophobicContact CD2-CG2 3.42Å; L159-I286 VanDerWaalsContact CD2-CG2 3.42Å; L159-L287 HydrophobicContact CD2-CD2 4.11Å; L159-R290 HydrophobicContact CB-CB 4.01Å; L159-R290 HydrophobicContact CD2-CB 4.17Å; L159-R290 PolarHBondContact N-O 2.76Å; L159-L293 HydrophobicContact CB-CD1 4.46Å |
| 160 | L | 94.5 | Very high | 79.2 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -49.4 | -172.7 | -54.4 | 170.3 | 0 | 0 | 0 | 112 | T158 H169 R171 L236 A261 | T158-L160 HydrophobicContact CG2-CD2 4.19Å; L160-H169 HydrophobicContact CB-CB 4.3Å; L160-H169 HydrophobicContact CD1-CB 4.43Å; L160-H169 PolarHBondContact N-O 2.86Å; L160-R171 HydrophobicContact CD1-CB 4.04Å; L160-R171 HydrophobicContact CD2-CB 4.13Å; L160-R171 HydrophobicContact CG-CB 4.34Å; L160-L236 VanDerWaalsContact CB-O 3.22Å; L160-L236 WeakPolarHBondContact CB-O 3.24Å; L160-A261 HydrophobicContact CD1-CB 3.51Å |
| 161 | D | 93 | Very high | 81.9 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 17% | 0.166 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 138.4 | -167.9 | 168.7 | 47.4 | 0 | 0 | 0 | 108.5 | H163 F168 H169 C238 | D161-H163 IonicContact OD1-CD2 2.73Å; D161-H163 IonicContact OD1-CE1 3.87Å; D161-H163 IonicContact OD1-NE2 2.67Å; D161-H163 PolarHBondContact OD1-NE2 3.46Å; D161-H163 IonicContact OD2-CD2 3.6Å; D161-H163 PolarHBondContact OD2-CD2 2.74Å; D161-H163 IonicContact OD2-NE2 3.69Å; D161-H163 PolarHBondContact OD2-NE2 2.91Å; D161-F168 CarbonylContact O-C 3.42Å; D161-F168 WeakPolarHBondContact O-CA 3.34Å; D161-F168 WeakPolarHBondContact O-CB 3.34Å; D161-H169 HydrophobicContact CB-CB 4.14Å; D161-H169 PolarHBondContact O-N 3.16Å; D161-H169 IonicContact OD2-CE1 3.76Å; D161-H169 IonicContact OD2-ND1 2.91Å; D161-H169 PolarHBondContact OD2-ND1 3.5Å; D161-C238 HydrophobicContact CB-CB 4.27Å; D161-C238 WeakPolarHBondContact OD2-CA 3.48Å; D161-C238 PolarHBondContact OD2-N 3.05Å |
| 162 | W | 90.3 | Very high | 84.1 | Confident | 35 Ų | 35 | 42.3 Ų | 42.3 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 120 | -163.9 | 172 | -91.8 | 0 | 0 | 0 | 111.5 | L159 P165 F168 I266 E283 I286 L287 | L159-W162 HydrophobicContact CD1-CB 4.46Å; L159-W162 HydrophobicContact CD1-CE3 4.1Å; L159-W162 HydrophobicContact CD2-CB 4.49Å; L159-W162 HydrophobicContact CD2-CE3 4.35Å; W162-P165 HydrophobicContact CH2-CB 4.44Å; W162-F168 HydrophobicContact CD2-CB 4.32Å; W162-F168 HydrophobicContact CE3-CB 3.52Å; W162-F168 HydrophobicContact CE3-CD1 4.01Å; W162-F168 HydrophobicContact CE3-CD2 4.32Å; W162-F168 AromaticContact CE3-CG 3.72Å; W162-F168 HydrophobicContact CE3-CG 3.72Å; W162-F168 HydrophobicContact CZ3-CB 4.12Å; W162-F168 AromaticContact CZ3-CD1 3.68Å; W162-F168 HydrophobicContact CZ3-CD1 3.68Å; W162-F168 HydrophobicContact CZ3-CD2 4.41Å; W162-F168 HydrophobicContact CZ3-CE1 4.15Å; W162-F168 AromaticContact CZ3-CG 3.84Å; W162-F168 HydrophobicContact CZ3-CG 3.84Å; W162-I266 HydrophobicContact CH2-CD1 4.26Å; W162-E283 PolarHBondContact NE1-OE1 2.89Å; W162-I286 HydrophobicContact CD2-CG2 4.34Å; W162-I286 HydrophobicContact CE3-CG2 3.93Å; W162-I286 HydrophobicContact CH2-CD1 3.46Å; W162-I286 VanDerWaalsContact CH2-CD1 3.46Å; W162-I286 HydrophobicContact CH2-CG2 4.26Å; W162-I286 HydrophobicContact CZ2-CD1 4Å; W162-I286 HydrophobicContact CZ3-CD1 3.98Å; W162-I286 HydrophobicContact CZ3-CG2 3.91Å; W162-L287 HydrophobicContact CB-CD2 4.18Å; W162-L287 HydrophobicContact CG-CD2 4.32Å |
| 163 | H | 88.2 | Confident | 86.3 | Confident | 125 Ų | 125 | 45.7 Ų | 45.7 | 58% | 0.579 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -122.6 | 34.7 | 177.4 | -52.9 | -103.3 | 0 | 0 | 0 | 110.1 | D161 T167 | D161-H163 IonicContact OD1-CD2 2.73Å; D161-H163 IonicContact OD1-CE1 3.87Å; D161-H163 IonicContact OD1-NE2 2.67Å; D161-H163 PolarHBondContact OD1-NE2 3.46Å; D161-H163 IonicContact OD2-CD2 3.6Å; D161-H163 PolarHBondContact OD2-CD2 2.74Å; D161-H163 IonicContact OD2-NE2 3.69Å; D161-H163 PolarHBondContact OD2-NE2 2.91Å; H163-T167 CarbonylContact C-O 3.53Å; H163-T167 VanDerWaalsContact CA-O 3.32Å; H163-T167 WeakPolarHBondContact CA-O 3.29Å; H163-T167 VanDerWaalsContact CB-O 3.28Å; H163-T167 WeakPolarHBondContact CB-O 3.22Å; H163-T167 PolarHBondContact N-O 2.85Å |
| 164 | G | 86.4 | Confident | 87.3 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 85.9 | 179.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W166 T167 | G164-W166 PolarHBondContact O-N 3.26Å; G164-W166 VanDerWaalsContact O-N 3.09Å; G164-T167 CarbonylContact O-C 3.57Å; G164-T167 PolarHBondContact O-N 3.32Å |
| 165 | P | 85.6 | Confident | 87.9 | Confident | 30 Ų | 30 | 38.7 Ų | 38.7 | 20% | 0.195 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.7 | -168 | 26.8 | -36.5 | 0 | 0 | 0 | 114.5 | W162 Y265 I266 V269 | W162-P165 HydrophobicContact CH2-CB 4.44Å; P165-Y265 CarbonylContact O-C 3.59Å; P165-Y265 VanDerWaalsContact O-CA 3.27Å; P165-Y265 WeakPolarHBondContact O-CA 3.03Å; P165-I266 HydrophobicContact CB-CB 4.35Å; P165-I266 HydrophobicContact CB-CD1 3.89Å; P165-I266 HydrophobicContact CB-CG1 4.07Å; P165-I266 PolarHBondContact O-N 2.94Å; P165-V269 HydrophobicContact CB-CG2 4.37Å |
| 166 | W | 86.6 | Confident | 88.3 | Confident | 147 Ų | 147 | 38.1 Ų | 38.1 | 56% | 0.557 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -17.6 | -178.5 | -56.1 | 115.9 | 0 | 0 | 0 | 113.9 | G164 V269 K304 | G164-W166 PolarHBondContact O-N 3.26Å; G164-W166 VanDerWaalsContact O-N 3.09Å; W166-V269 HydrophobicContact CH2-CB 3.82Å; W166-V269 HydrophobicContact CH2-CG2 4.26Å; W166-V269 HydrophobicContact CZ2-CB 4.11Å; W166-V269 HydrophobicContact CZ2-CG1 4.32Å; W166-V269 HydrophobicContact CZ3-CB 4.49Å; W166-V269 HydrophobicContact CZ3-CG2 4.49Å; W166-K304 PolarHBondContact O-NZ 3.36Å |
| 167 | T | 89.5 | Confident | 88 | Confident | 48 Ų | 48 | 43.7 Ų | 43.7 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -149.9 | 109.6 | 176.1 | -53.9 | 0 | 0 | 0 | 0 | 110.2 | H163 G164 T263 C264 K304 | H163-T167 CarbonylContact C-O 3.53Å; H163-T167 VanDerWaalsContact CA-O 3.32Å; H163-T167 WeakPolarHBondContact CA-O 3.29Å; H163-T167 VanDerWaalsContact CB-O 3.28Å; H163-T167 WeakPolarHBondContact CB-O 3.22Å; H163-T167 PolarHBondContact N-O 2.85Å; G164-T167 CarbonylContact O-C 3.57Å; G164-T167 PolarHBondContact O-N 3.32Å; T167-T263 HydrophobicContact CG2-CG2 4.15Å; T167-C264 WeakPolarHBondContact CA-O 3.28Å; T167-K304 PolarHBondContact OG1-NZ 2.89Å |
| 168 | F | 93 | Very high | 87.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 175.9 | 167.8 | 59.7 | -84.4 | 0 | 0 | 0 | 110.3 | L159 D161 W162 V170 T263 C264 I266 L307 L309 | L159-F168 HydrophobicContact CD1-CB 4.1Å; L159-F168 HydrophobicContact CD1-CD2 3.65Å; L159-F168 HydrophobicContact CD1-CG 4.24Å; D161-F168 CarbonylContact O-C 3.42Å; D161-F168 WeakPolarHBondContact O-CA 3.34Å; D161-F168 WeakPolarHBondContact O-CB 3.34Å; W162-F168 HydrophobicContact CD2-CB 4.32Å; W162-F168 HydrophobicContact CE3-CB 3.52Å; W162-F168 HydrophobicContact CE3-CD1 4.01Å; W162-F168 HydrophobicContact CE3-CD2 4.32Å; W162-F168 AromaticContact CE3-CG 3.72Å; W162-F168 HydrophobicContact CE3-CG 3.72Å; W162-F168 HydrophobicContact CZ3-CB 4.12Å; W162-F168 AromaticContact CZ3-CD1 3.68Å; W162-F168 HydrophobicContact CZ3-CD1 3.68Å; W162-F168 HydrophobicContact CZ3-CD2 4.41Å; W162-F168 HydrophobicContact CZ3-CE1 4.15Å; W162-F168 AromaticContact CZ3-CG 3.84Å; W162-F168 HydrophobicContact CZ3-CG 3.84Å; F168-V170 HydrophobicContact CD2-CG1 3.7Å; F168-V170 HydrophobicContact CE2-CG1 3.61Å; F168-T263 CarbonylContact O-C 3.54Å; F168-T263 WeakPolarHBondContact O-CA 3.31Å; F168-C264 HydrophobicContact CD1-CB 4.32Å; F168-C264 HydrophobicContact CD2-CB 3.81Å; F168-C264 HydrophobicContact CE1-CB 4.03Å; F168-C264 HydrophobicContact CE2-CB 3.5Å; F168-C264 VanDerWaalsContact CE2-CB 3.5Å; F168-C264 HydrophobicContact CG-CB 4.22Å; F168-C264 HydrophobicContact CZ-CB 3.61Å; F168-C264 PolarHBondContact N-O 3.43Å; F168-C264 PolarHBondContact O-N 2.82Å; F168-I266 HydrophobicContact CE1-CG1 3.73Å; F168-I266 HydrophobicContact CZ-CG1 4.12Å; F168-L307 HydrophobicContact CE2-CD1 3.96Å; F168-L307 HydrophobicContact CZ-CD1 4.1Å; F168-L309 HydrophobicContact CZ-CD1 4.44Å |
| 169 | H | 94.1 | Very high | 87.6 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.023 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133 | -177.7 | -62.7 | 104.2 | 0 | 0 | 0 | 112.1 | L160 D161 K232 G237 F262 T263 | L160-H169 HydrophobicContact CB-CB 4.3Å; L160-H169 HydrophobicContact CD1-CB 4.43Å; L160-H169 PolarHBondContact N-O 2.86Å; D161-H169 HydrophobicContact CB-CB 4.14Å; D161-H169 PolarHBondContact O-N 3.16Å; D161-H169 IonicContact OD2-CE1 3.76Å; D161-H169 IonicContact OD2-ND1 2.91Å; D161-H169 PolarHBondContact OD2-ND1 3.5Å; H169-K232 PolarHBondContact CE1-NZ 2.8Å; H169-K232 VanDerWaalsContact CE1-NZ 3.32Å; H169-K232 PolarHBondContact NE2-NZ 2.85Å; H169-G237 PolarHBondContact CE1-O 3.05Å; H169-G237 VanDerWaalsContact CE1-O 3.26Å; H169-G237 VanDerWaalsContact CG-CA 3.4Å; H169-G237 PolarHBondContact ND1-O 3.37Å; H169-F262 VanDerWaalsContact CA-O 3.23Å; H169-F262 WeakPolarHBondContact CA-O 3.09Å; H169-T263 PolarHBondContact CD2-OG1 2.91Å; H169-T263 WeakPolarHBondContact NE2-CG2 3.33Å; H169-T263 PolarHBondContact NE2-OG1 2.92Å |
| 170 | V | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 155.6 | 177.3 | -48.7 | 0 | 0 | 0 | 0 | 111.2 | I157 T158 L159 F168 F172 F262 L307 | I157-V170 HydrophobicContact CB-CB 4.36Å; I157-V170 HydrophobicContact CD1-CB 4.23Å; I157-V170 HydrophobicContact CD1-CG1 3.77Å; I157-V170 HydrophobicContact CG2-CG2 4.37Å; T158-V170 CarbonylContact O-C 3.38Å; T158-V170 VanDerWaalsContact O-CA 3.29Å; T158-V170 WeakPolarHBondContact O-CA 3.32Å; L159-V170 HydrophobicContact CD1-CG1 4.42Å; F168-V170 HydrophobicContact CD2-CG1 3.7Å; F168-V170 HydrophobicContact CE2-CG1 3.61Å; V170-F172 HydrophobicContact CG2-CE2 4.16Å; V170-F172 HydrophobicContact CG2-CZ 4.47Å; V170-F262 HydrophobicContact CG2-CB 4.29Å; V170-F262 PolarHBondContact N-O 3.47Å; V170-F262 PolarHBondContact O-N 2.93Å; V170-L307 HydrophobicContact CG1-CD1 4.21Å; V170-L307 HydrophobicContact CG2-CD1 4.29Å |
| 171 | R | 91.8 | Very high | 86.8 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.8 | 160 | -177.9 | 170.7 | 68.2 | -129.3 | 4.9 | 108.5 | T158 L160 L175 N176 F179 L260 | T158-R171 PolarHBondContact N-O 3.23Å; T158-R171 PolarHBondContact O-N 2.94Å; L160-R171 HydrophobicContact CD1-CB 4.04Å; L160-R171 HydrophobicContact CD2-CB 4.13Å; L160-R171 HydrophobicContact CG-CB 4.34Å; R171-L175 HydrophobicContact CG-CB 4Å; R171-N176 VanDerWaalsContact CZ-OD1 3.28Å; R171-N176 PolarHBondContact NE-OD1 3.37Å; R171-N176 PolarHBondContact NH2-OD1 2.98Å; R171-F179 VanDerWaalsContact CZ-CG 3.48Å; R171-F179 VanDerWaalsContact NH1-CE2 3.25Å; R171-F179 VanDerWaalsContact NH1-CG 3.31Å; R171-L260 WeakPolarHBondContact CB-O 3.43Å; R171-L260 WeakPolarHBondContact CG-O 3.48Å |
| 172 | F | 84.2 | Confident | 86.4 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 138.8 | 172.6 | -64.1 | -92.2 | 0 | 0 | 0 | 110 | F147 T155 I157 V170 A174 L175 F262 V297 L305 | F147-F172 HydrophobicContact CE1-CD2 4.2Å; F147-F172 HydrophobicContact CE2-CB 3.58Å; F147-F172 HydrophobicContact CE2-CD1 4.01Å; F147-F172 HydrophobicContact CE2-CD2 4.01Å; F147-F172 AromaticContact CE2-CG 3.6Å; F147-F172 HydrophobicContact CE2-CG 3.6Å; F147-F172 HydrophobicContact CZ-CB 3.82Å; F147-F172 AromaticContact CZ-CD1 3.99Å; F147-F172 HydrophobicContact CZ-CD1 3.99Å; F147-F172 AromaticContact CZ-CD2 3.33Å; F147-F172 HydrophobicContact CZ-CD2 3.33Å; F147-F172 HydrophobicContact CZ-CE1 4.41Å; F147-F172 AromaticContact CZ-CE2 3.82Å; F147-F172 HydrophobicContact CZ-CE2 3.82Å; F147-F172 AromaticContact CZ-CG 3.43Å; F147-F172 HydrophobicContact CZ-CG 3.43Å; F147-F172 VanDerWaalsContact CZ-CG 3.43Å; F147-F172 HydrophobicContact CZ-CZ 4.33Å; T155-F172 HydrophobicContact CG2-CD1 3.79Å; I157-F172 HydrophobicContact CG2-CD1 3.57Å; I157-F172 HydrophobicContact CG2-CE1 3.83Å; I157-F172 HydrophobicContact CG2-CG 4.13Å; V170-F172 HydrophobicContact CG2-CE2 4.16Å; V170-F172 HydrophobicContact CG2-CZ 4.47Å; F172-A174 PolarHBondContact O-N 2.81Å; F172-L175 HydrophobicContact CB-CD1 4.49Å; F172-L175 WeakPolarHBondContact O-CB 3.4Å; F172-L175 PolarHBondContact O-N 3.03Å; F172-F262 AromaticContact CD2-CD2 3.9Å; F172-F262 HydrophobicContact CD2-CD2 3.9Å; F172-F262 HydrophobicContact CD2-CE2 4.12Å; F172-F262 HydrophobicContact CD2-CG 4.4Å; F172-F262 HydrophobicContact CE2-CB 4.39Å; F172-F262 HydrophobicContact CE2-CD1 4.42Å; F172-F262 AromaticContact CE2-CD2 3.96Å; F172-F262 HydrophobicContact CE2-CD2 3.96Å; F172-F262 HydrophobicContact CE2-CE2 4.41Å; F172-F262 AromaticContact CE2-CG 3.98Å; F172-F262 HydrophobicContact CE2-CG 3.98Å; F172-V297 HydrophobicContact CE1-CG2 4.16Å; F172-V297 HydrophobicContact CZ-CG2 4.01Å; F172-L305 HydrophobicContact CE2-CD1 3.78Å; F172-L305 HydrophobicContact CZ-CD1 3.8Å |
| 173 | E | 84.9 | Confident | 86.4 | Confident | 110 Ų | 110 | 47.7 Ų | 47.7 | 51% | 0.514 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -60.7 | -31.6 | -173 | 175 | 155.8 | -143.5 | 0 | 0 | 113 | P156 L175 N176 | P156-E173 HydrophobicContact CB-CB 4.06Å; P156-E173 WeakPolarHBondContact CB-OE2 3.49Å; P156-E173 PolarHBondContact O-N 2.93Å; E173-L175 PolarHBondContact O-N 3.42Å; E173-N176 VanDerWaalsContact O-CB 3.28Å; E173-N176 WeakPolarHBondContact O-CB 3.42Å; E173-N176 PolarHBondContact O-N 2.81Å |
| 174 | A | 76.7 | Confident | 86.3 | Confident | 72 Ų | 72 | 43.7 Ų | 43.7 | 60% | 0.595 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -51.3 | -28.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F147 F172 | F147-A174 HydrophobicContact CD2-CB 4.19Å; F172-A174 PolarHBondContact O-N 2.81Å |
| 175 | L | 80.2 | Confident | 86.3 | Confident | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -92.9 | -5.5 | -179.9 | -55.7 | 176 | 0 | 0 | 0 | 113.6 | F147 R171 F172 E173 R177 L178 F179 L260 F262 | F147-L175 HydrophobicContact CD1-CD1 4.38Å; F147-L175 HydrophobicContact CD1-CD2 4.44Å; F147-L175 HydrophobicContact CE1-CD1 4.21Å; F147-L175 HydrophobicContact CG-CD2 4.29Å; F147-L175 HydrophobicContact CZ-CD1 4.47Å; R171-L175 HydrophobicContact CG-CB 4Å; F172-L175 HydrophobicContact CB-CD1 4.49Å; F172-L175 WeakPolarHBondContact O-CB 3.4Å; F172-L175 PolarHBondContact O-N 3.03Å; E173-L175 PolarHBondContact O-N 3.42Å; L175-R177 VanDerWaalsContact C-N 3.29Å; L175-R177 PolarHBondContact O-N 2.97Å; L175-L178 PolarHBondContact O-N 2.65Å; L175-F179 PolarHBondContact O-N 2.87Å; L175-L260 HydrophobicContact CB-CD2 4.49Å; L175-L260 HydrophobicContact CD1-CD2 4.47Å; L175-F262 HydrophobicContact CD1-CE2 3.58Å; L175-F262 HydrophobicContact CD1-CZ 4.23Å |
| 176 | N | 84.9 | Confident | 86.5 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 11% | 0.107 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -39.2 | 178.5 | -83.4 | -26.3 | 0 | 0 | 0 | 112 | R171 E173 F179 Y180 | R171-N176 VanDerWaalsContact CZ-OD1 3.28Å; R171-N176 PolarHBondContact NE-OD1 3.37Å; R171-N176 PolarHBondContact NH2-OD1 2.98Å; E173-N176 VanDerWaalsContact O-CB 3.28Å; E173-N176 WeakPolarHBondContact O-CB 3.42Å; E173-N176 PolarHBondContact O-N 2.81Å; N176-F179 WeakPolarHBondContact O-CB 3.28Å; N176-F179 PolarHBondContact O-N 2.67Å; N176-Y180 HydrophobicContact CB-CE2 4.31Å; N176-Y180 WeakPolarHBondContact O-CD2 3.47Å; N176-Y180 PolarHBondContact O-N 3.2Å |
| 177 | R | 78.5 | Confident | 86.7 | Confident | 173 Ų | 173 | 36.9 Ų | 36.9 | 65% | 0.653 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -60.9 | -51 | 176.5 | -68 | -174.7 | -178.8 | -176.8 | 1.4 | 111.2 | L175 F179 Y180 V181 | L175-R177 VanDerWaalsContact C-N 3.29Å; L175-R177 PolarHBondContact O-N 2.97Å; R177-F179 VanDerWaalsContact C-N 3.29Å; R177-F179 PolarHBondContact O-N 2.9Å; R177-Y180 PolarHBondContact O-N 3.41Å; R177-V181 VanDerWaalsContact O-CG2 3.26Å; R177-V181 WeakPolarHBondContact O-CG2 3.21Å; R177-V181 PolarHBondContact O-N 3.17Å |
| 178 | L | 81.6 | Confident | 86.5 | Confident | 30 Ų | 30 | 38.3 Ų | 38.3 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -37.7 | 178.5 | -179.3 | 57.8 | 0 | 0 | 0 | 112.1 | L175 V181 I182 V257 L260 | L175-L178 PolarHBondContact O-N 2.65Å; L178-V181 PolarHBondContact O-N 3.06Å; L178-I182 HydrophobicContact CD1-CG1 4.2Å; L178-I182 WeakPolarHBondContact O-CG1 3.35Å; L178-I182 PolarHBondContact O-N 3.36Å; L178-V257 HydrophobicContact CD1-CG1 4.2Å; L178-V257 HydrophobicContact CD2-CG1 4.01Å; L178-V257 HydrophobicContact CG-CG1 4.21Å; L178-L260 HydrophobicContact CD2-CD2 3.87Å; L178-L260 HydrophobicContact CG-CD1 4.25Å; L178-L260 HydrophobicContact CG-CD2 4.28Å |
| 179 | F | 89.4 | Confident | 86.1 | Confident | 16 Ų | 16 | 38.5 Ų | 38.5 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.2 | -49.5 | 173 | 174.7 | -97.3 | 0 | 0 | 0 | 112.2 | R171 L175 N176 R177 I182 E183 D235 L236 L260 | R171-F179 VanDerWaalsContact CZ-CG 3.48Å; R171-F179 VanDerWaalsContact NH1-CE2 3.25Å; R171-F179 VanDerWaalsContact NH1-CG 3.31Å; L175-F179 PolarHBondContact O-N 2.87Å; N176-F179 WeakPolarHBondContact O-CB 3.28Å; N176-F179 PolarHBondContact O-N 2.67Å; R177-F179 VanDerWaalsContact C-N 3.29Å; R177-F179 PolarHBondContact O-N 2.9Å; F179-I182 PolarHBondContact O-N 3.17Å; F179-E183 WeakPolarHBondContact CE1-OE1 3.45Å; F179-E183 WeakPolarHBondContact CZ-OE1 3.22Å; F179-E183 WeakPolarHBondContact O-CB 3.19Å; F179-E183 PolarHBondContact O-N 2.92Å; F179-D235 HydrophobicContact CD2-CB 3.9Å; F179-D235 HydrophobicContact CE2-CB 3.8Å; F179-L236 HydrophobicContact CE2-CD2 4.14Å; F179-L236 HydrophobicContact CZ-CD2 4.07Å; F179-L260 VanDerWaalsContact CA-CD1 3.49Å; F179-L260 HydrophobicContact CB-CD1 3.79Å; F179-L260 HydrophobicContact CD2-CD1 4.28Å |
| 180 | Y | 87.9 | Confident | 85.8 | Confident | 133 Ų | 133 | 39 Ų | 39 | 52% | 0.522 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.3 | -39.1 | 177.9 | -66 | -55.7 | 0 | 0 | 0 | 112.7 | N176 R177 I182 E183 S184 | N176-Y180 HydrophobicContact CB-CE2 4.31Å; N176-Y180 WeakPolarHBondContact O-CD2 3.47Å; N176-Y180 PolarHBondContact O-N 3.2Å; R177-Y180 PolarHBondContact O-N 3.41Å; Y180-I182 VanDerWaalsContact C-N 3.32Å; Y180-I182 PolarHBondContact O-N 3.42Å; Y180-E183 PolarHBondContact O-N 2.99Å; Y180-S184 WeakPolarHBondContact O-CB 3.34Å; Y180-S184 PolarHBondContact O-N 3.18Å; Y180-S184 PolarHBondContact O-OG 3.1Å |
| 181 | V | 82.4 | Confident | 85.4 | Confident | 26 Ų | 26 | 43.2 Ų | 43.2 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.4 | -45.9 | 175.3 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | R177 L178 S185 Y337 F340 | R177-V181 VanDerWaalsContact O-CG2 3.26Å; R177-V181 WeakPolarHBondContact O-CG2 3.21Å; R177-V181 PolarHBondContact O-N 3.17Å; L178-V181 PolarHBondContact O-N 3.06Å; V181-S185 VanDerWaalsContact O-CB 3.23Å; V181-S185 WeakPolarHBondContact O-CB 3.36Å; V181-S185 PolarHBondContact O-N 2.93Å; V181-S185 PolarHBondContact O-OG 3.37Å; V181-Y337 HydrophobicContact CB-CD2 4.19Å; V181-Y337 HydrophobicContact CG1-CD2 4.07Å; V181-Y337 HydrophobicContact CG2-CD2 3.56Å; V181-Y337 HydrophobicContact CG2-CE2 4.19Å; V181-Y337 HydrophobicContact CG2-CG 4.49Å; V181-F340 HydrophobicContact CG1-CB 4.25Å; V181-F340 HydrophobicContact CG1-CD1 3.3Å; V181-F340 HydrophobicContact CG1-CE1 3.84Å; V181-F340 HydrophobicContact CG1-CG 4.01Å |
| 182 | I | 85.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.4 | -41.8 | -179.8 | -64.6 | -68 | 0 | 0 | 0 | 111.6 | L178 F179 Y180 S185 M186 R217 F254 V257 F340 | L178-I182 HydrophobicContact CD1-CG1 4.2Å; L178-I182 WeakPolarHBondContact O-CG1 3.35Å; L178-I182 PolarHBondContact O-N 3.36Å; F179-I182 PolarHBondContact O-N 3.17Å; Y180-I182 VanDerWaalsContact C-N 3.32Å; Y180-I182 PolarHBondContact O-N 3.42Å; I182-S185 PolarHBondContact O-N 3.33Å; I182-M186 HydrophobicContact CG2-CG 4.37Å; I182-M186 HydrophobicContact CG2-SD 4.28Å; I182-M186 WeakPolarHBondContact O-CB 3.38Å; I182-M186 WeakPolarHBondContact O-CG 3.38Å; I182-M186 PolarHBondContact O-N 2.94Å; I182-R217 HydrophobicContact CG2-CG 4.39Å; I182-F254 HydrophobicContact CD1-CD1 4.09Å; I182-F254 HydrophobicContact CG2-CD1 4.29Å; I182-V257 HydrophobicContact CD1-CB 4.46Å; I182-V257 HydrophobicContact CD1-CG2 3.86Å; I182-V257 HydrophobicContact CG1-CG1 4.37Å; I182-F340 HydrophobicContact CD1-CE1 3.9Å; I182-F340 HydrophobicContact CD1-CZ 3.67Å |
| 183 | E | 89.9 | Confident | 84.5 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.5 | -55 | 176.9 | -169 | -174.6 | -85.9 | 0 | 0 | 110.8 | F179 Y180 S185 M186 Q187 K214 R216 | F179-E183 WeakPolarHBondContact CE1-OE1 3.45Å; F179-E183 WeakPolarHBondContact CZ-OE1 3.22Å; F179-E183 WeakPolarHBondContact O-CB 3.19Å; F179-E183 PolarHBondContact O-N 2.92Å; Y180-E183 PolarHBondContact O-N 2.99Å; E183-S185 PolarHBondContact O-N 3.24Å; E183-M186 PolarHBondContact O-N 2.98Å; E183-Q187 VanDerWaalsContact O-CG 3.3Å; E183-Q187 WeakPolarHBondContact O-CG 3.41Å; E183-Q187 PolarHBondContact O-N 3.33Å; E183-Q187 VanDerWaalsContact O-N 3.16Å; E183-Q187 PolarHBondContact O-NE2 3.08Å; E183-K214 HydrophobicContact CG-CD 4.35Å; E183-K214 IonicContact OE2-NZ 3.17Å; E183-K214 PolarHBondContact OE2-NZ 2.82Å; E183-R216 IonicContact OE1-CZ 2.89Å; E183-R216 IonicContact OE1-NH1 3.65Å; E183-R216 PolarHBondContact OE1-NH1 3.11Å; E183-R216 IonicContact OE1-NH2 3.5Å |
| 184 | S | 86.7 | Confident | 84.1 | Confident | 42 Ų | 42 | 45.3 Ų | 45.3 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | -179.8 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | Y180 M186 Q187 M188 | Y180-S184 WeakPolarHBondContact O-CB 3.34Å; Y180-S184 PolarHBondContact O-N 3.18Å; Y180-S184 PolarHBondContact O-OG 3.1Å; S184-M186 PolarHBondContact O-N 2.67Å; S184-Q187 WeakPolarHBondContact O-CB 3.48Å; S184-Q187 PolarHBondContact O-N 2.9Å; S184-Q187 VanDerWaalsContact O-N 3.09Å; S184-M188 PolarHBondContact O-N 3.26Å |
| 185 | S | 85.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.3 | -32.5 | -177.2 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | V181 I182 E183 F189 F340 | V181-S185 VanDerWaalsContact O-CB 3.23Å; V181-S185 WeakPolarHBondContact O-CB 3.36Å; V181-S185 PolarHBondContact O-N 2.93Å; V181-S185 PolarHBondContact O-OG 3.37Å; I182-S185 PolarHBondContact O-N 3.33Å; E183-S185 PolarHBondContact O-N 3.24Å; S185-F189 VanDerWaalsContact O-CB 3.23Å; S185-F189 WeakPolarHBondContact O-CB 3.26Å; S185-F189 PolarHBondContact O-N 3.03Å; S185-F340 VanDerWaalsContact CB-CE1 3.48Å; S185-F340 VanDerWaalsContact OG-CD1 3.3Å; S185-F340 WeakPolarHBondContact OG-CD1 3.23Å; S185-F340 WeakPolarHBondContact OG-CE1 3.44Å |
| 186 | M | 90.3 | Very high | 84.5 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 169.1 | -74.5 | -171.2 | 80.8 | 0 | 0 | 111.4 | I182 E183 S184 F189 Y190 A208 W215 R217 L250 F254 | I182-M186 HydrophobicContact CG2-CG 4.37Å; I182-M186 HydrophobicContact CG2-SD 4.28Å; I182-M186 WeakPolarHBondContact O-CB 3.38Å; I182-M186 WeakPolarHBondContact O-CG 3.38Å; I182-M186 PolarHBondContact O-N 2.94Å; E183-M186 PolarHBondContact O-N 2.98Å; S184-M186 PolarHBondContact O-N 2.67Å; M186-F189 PolarHBondContact O-N 3.31Å; M186-Y190 HydrophobicContact CB-CD2 4.46Å; M186-Y190 HydrophobicContact CE-CD2 4.34Å; M186-Y190 HydrophobicContact CE-CE2 3.73Å; M186-Y190 WeakPolarHBondContact O-CD2 3.39Å; M186-Y190 PolarHBondContact O-N 3.23Å; M186-A208 HydrophobicContact CE-CB 3.68Å; M186-W215 HydrophobicContact CB-CB 4.08Å; M186-W215 HydrophobicContact CE-CB 4.42Å; M186-R217 HydrophobicContact CE-CG 3.96Å; M186-R217 HydrophobicContact SD-CB 4.47Å; M186-R217 HydrophobicContact SD-CG 3.31Å; M186-R217 WeakPolarHBondContact SD-CG 3.42Å; M186-L250 HydrophobicContact CE-CD1 3.74Å; M186-F254 HydrophobicContact CG-CD1 3.82Å; M186-F254 HydrophobicContact CG-CD2 4.28Å; M186-F254 HydrophobicContact CG-CE1 3.76Å; M186-F254 HydrophobicContact CG-CE2 4.22Å; M186-F254 HydrophobicContact CG-CG 4.09Å; M186-F254 HydrophobicContact CG-CZ 3.97Å |
| 187 | Q | 91.6 | Very high | 84.7 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 177 | -50.1 | -34 | -64.5 | 0 | 0 | 110.6 | E183 S184 F189 A191 W215 | E183-Q187 VanDerWaalsContact O-CG 3.3Å; E183-Q187 WeakPolarHBondContact O-CG 3.41Å; E183-Q187 PolarHBondContact O-N 3.33Å; E183-Q187 VanDerWaalsContact O-N 3.16Å; E183-Q187 PolarHBondContact O-NE2 3.08Å; S184-Q187 WeakPolarHBondContact O-CB 3.48Å; S184-Q187 PolarHBondContact O-N 2.9Å; S184-Q187 VanDerWaalsContact O-N 3.09Å; Q187-F189 PolarHBondContact O-N 3.36Å; Q187-A191 WeakPolarHBondContact O-CB 3.42Å; Q187-A191 PolarHBondContact O-N 3.36Å; Q187-W215 PolarHBondContact NE2-O 3.45Å |
| 188 | M | 84.2 | Confident | 85.1 | Confident | 79 Ų | 79 | 43.8 Ų | 43.8 | 39% | 0.389 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 177.9 | -68.5 | 173.4 | 66.2 | 0 | 0 | 112.3 | S184 A192 L341 E345 | S184-M188 PolarHBondContact O-N 3.26Å; M188-A192 WeakPolarHBondContact O-CB 3.48Å; M188-A192 PolarHBondContact O-N 2.96Å; M188-L341 HydrophobicContact CE-CD2 4.3Å; M188-L341 HydrophobicContact SD-CD2 3.71Å; M188-E345 HydrophobicContact CE-CG 4.12Å |
| 189 | F | 85.6 | Confident | 85 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62 | -53.4 | -179.9 | -179.2 | -84.8 | 0 | 0 | 0 | 111.9 | S185 M186 Q187 A192 A193 L195 P251 F254 V344 V348 M351 | S185-F189 VanDerWaalsContact O-CB 3.23Å; S185-F189 WeakPolarHBondContact O-CB 3.26Å; S185-F189 PolarHBondContact O-N 3.03Å; M186-F189 PolarHBondContact O-N 3.31Å; Q187-F189 PolarHBondContact O-N 3.36Å; F189-A192 PolarHBondContact O-N 2.91Å; F189-A193 HydrophobicContact CD1-CB 4.32Å; F189-A193 HydrophobicContact CE1-CB 4.04Å; F189-A193 HydrophobicContact CZ-CB 4.35Å; F189-A193 WeakPolarHBondContact O-CB 3.45Å; F189-A193 PolarHBondContact O-N 2.97Å; F189-L195 HydrophobicContact CE1-CD1 3.75Å; F189-L195 HydrophobicContact CZ-CD1 4.35Å; F189-P251 HydrophobicContact CD1-CG 4.19Å; F189-P251 HydrophobicContact CE1-CG 3.41Å; F189-P251 VanDerWaalsContact CE1-CG 3.41Å; F189-P251 HydrophobicContact CE2-CG 3.99Å; F189-P251 HydrophobicContact CZ-CB 4.24Å; F189-P251 HydrophobicContact CZ-CG 3.3Å; F189-F254 HydrophobicContact CB-CE2 4.01Å; F189-F254 HydrophobicContact CB-CZ 4.03Å; F189-F254 HydrophobicContact CD1-CE2 4.18Å; F189-F254 HydrophobicContact CD2-CE2 4.15Å; F189-F254 AromaticContact CG-CE2 3.85Å; F189-F254 HydrophobicContact CG-CE2 3.85Å; F189-F254 HydrophobicContact CG-CZ 4.33Å; F189-V344 HydrophobicContact CB-CG1 4.33Å; F189-V348 HydrophobicContact CD2-CG2 4.17Å; F189-M351 HydrophobicContact CD2-CE 4.17Å; F189-M351 HydrophobicContact CE2-CE 3.42Å; F189-M351 VanDerWaalsContact CE2-CE 3.42Å; F189-M351 HydrophobicContact CE2-SD 4.25Å; F189-M351 HydrophobicContact CZ-CE 3.72Å; F189-M351 HydrophobicContact CZ-SD 4.23Å |
| 190 | Y | 87.2 | Confident | 84.6 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 6% | 0.059 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -78 | -18.6 | -176.7 | -73.9 | -83.3 | 0 | 0 | 0 | 113.9 | M186 A192 L195 A208 W215 P249 P251 | M186-Y190 HydrophobicContact CB-CD2 4.46Å; M186-Y190 HydrophobicContact CE-CD2 4.34Å; M186-Y190 HydrophobicContact CE-CE2 3.73Å; M186-Y190 WeakPolarHBondContact O-CD2 3.39Å; M186-Y190 PolarHBondContact O-N 3.23Å; Y190-A192 VanDerWaalsContact C-N 3.32Å; Y190-L195 HydrophobicContact CD1-CD1 4.24Å; Y190-L195 HydrophobicContact CE1-CD1 3.69Å; Y190-A208 HydrophobicContact CE1-CB 3.98Å; Y190-A208 HydrophobicContact CE2-CB 3.66Å; Y190-A208 WeakPolarHBondContact OH-CB 3.47Å; Y190-W215 HydrophobicContact CD1-CD2 4.15Å; Y190-W215 AromaticContact CD1-CE3 3.99Å; Y190-W215 HydrophobicContact CD1-CE3 3.99Å; Y190-W215 HydrophobicContact CD1-CH2 4.07Å; Y190-W215 HydrophobicContact CD1-CZ2 4.26Å; Y190-W215 AromaticContact CD1-CZ3 3.95Å; Y190-W215 HydrophobicContact CD1-CZ3 3.95Å; Y190-W215 HydrophobicContact CD2-CB 4.16Å; Y190-W215 AromaticContact CD2-CD2 3.99Å; Y190-W215 HydrophobicContact CD2-CD2 3.99Å; Y190-W215 HydrophobicContact CD2-CE3 4.12Å; Y190-W215 HydrophobicContact CD2-CG 4Å; Y190-W215 HydrophobicContact CE1-CE3 4.4Å; Y190-W215 HydrophobicContact CE1-CZ3 4.28Å; Y190-W215 AromaticContact CG-CD2 3.63Å; Y190-W215 HydrophobicContact CG-CD2 3.63Å; Y190-W215 AromaticContact CG-CE2 3.9Å; Y190-W215 AromaticContact CG-CE3 3.86Å; Y190-W215 HydrophobicContact CG-CE3 3.86Å; Y190-W215 AromaticContact CG-CG 3.98Å; Y190-W215 HydrophobicContact CG-CG 3.98Å; Y190-W215 HydrophobicContact CG-CH2 4.48Å; Y190-W215 HydrophobicContact CG-CZ2 4.31Å; Y190-W215 HydrophobicContact CG-CZ3 4.27Å; Y190-P249 PolarHBondContact OH-O 3.34Å; Y190-P251 WeakPolarHBondContact OH-CD 3.45Å |
| 191 | A | 84.2 | Confident | 84.1 | Confident | 90 Ų | 90 | 51.8 Ų | 51.8 | 74% | 0.744 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -71.9 | -26.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q187 | Q187-A191 WeakPolarHBondContact O-CB 3.42Å; Q187-A191 PolarHBondContact O-N 3.36Å |
| 192 | A | 80.8 | Confident | 83.9 | Confident | 47 Ų | 47 | 54 Ų | 54 | 39% | 0.388 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -100.2 | -22.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M188 F189 Y190 V348 | M188-A192 WeakPolarHBondContact O-CB 3.48Å; M188-A192 PolarHBondContact O-N 2.96Å; F189-A192 PolarHBondContact O-N 2.91Å; Y190-A192 VanDerWaalsContact C-N 3.32Å; A192-V348 HydrophobicContact CB-CG1 3.46Å; A192-V348 VanDerWaalsContact CB-CG1 3.46Å; A192-V348 HydrophobicContact CB-CG2 4.29Å |
| 193 | A | 77 | Confident | 83.6 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | trans | -98.2 | 112.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F189 L195 M351 | F189-A193 HydrophobicContact CD1-CB 4.32Å; F189-A193 HydrophobicContact CE1-CB 4.04Å; F189-A193 HydrophobicContact CZ-CB 4.35Å; F189-A193 WeakPolarHBondContact O-CB 3.45Å; F189-A193 PolarHBondContact O-N 2.97Å; A193-L195 HydrophobicContact CB-CD1 4.39Å; A193-L195 HydrophobicContact CB-CG 4.06Å; A193-L195 PolarHBondContact O-N 2.82Å; A193-M351 HydrophobicContact CB-CE 4.06Å | ||
| 194 | A | 76.8 | Confident | 83.2 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 86% | 0.86 | 38% | 0.379 | S | S | * | . | trans | -74 | 61.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 195 | L | 79.8 | Confident | 83 | Confident | 64 Ų | 64 | 64.8 Ų | 64.8 | 34% | 0.335 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 148.4 | 179.2 | -69.9 | 178.3 | 0 | 0 | 0 | 112 | F189 Y190 A193 Y248 | F189-L195 HydrophobicContact CE1-CD1 3.75Å; F189-L195 HydrophobicContact CZ-CD1 4.35Å; Y190-L195 HydrophobicContact CD1-CD1 4.24Å; Y190-L195 HydrophobicContact CE1-CD1 3.69Å; A193-L195 HydrophobicContact CB-CD1 4.39Å; A193-L195 HydrophobicContact CB-CG 4.06Å; A193-L195 PolarHBondContact O-N 2.82Å; L195-Y248 HydrophobicContact CB-CD1 4.2Å; L195-Y248 WeakPolarHBondContact O-CE1 3.04Å |
| 196 | N | 85.4 | Confident | 83.3 | Confident | 126 Ų | 126 | 67.8 Ų | 67.8 | 67% | 0.674 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -87.4 | 153.5 | 169 | -74.4 | -73.4 | 0 | 0 | 0 | 111.1 | P249 | N196-P249 WeakPolarHBondContact O-CD 3.02Š|
| 197 | P | 89.5 | Confident | 83.5 | Confident | 43 Ų | 43 | 67.7 Ų | 67.7 | 28% | 0.279 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 158 | 170.3 | -24.7 | 35.6 | 0 | 0 | 0 | 113.6 | K199 D245 L247 Y248 | P197-K199 PolarHBondContact O-N 3.2Å; P197-K199 VanDerWaalsContact O-N 3.09Å; P197-D245 WeakPolarHBondContact CB-O 3.18Å; P197-D245 WeakPolarHBondContact CG-O 3.47Å; P197-L247 CarbonylContact C-O 3.56Å; P197-L247 VanDerWaalsContact CA-O 3.32Å; P197-L247 WeakPolarHBondContact CA-O 3.46Å; P197-Y248 HydrophobicContact CG-CE1 4.09Å |
| 198 | A | 85.1 | Confident | 83.7 | Confident | 9 Ų | 9 | 65.5 Ų | 65.5 | 7% | 0.074 | 39% | 0.386 | C | S | . | . | trans | -72.2 | 100.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T200 L201 Q244 L247 P249 | A198-T200 VanDerWaalsContact C-N 3.27Å; A198-T200 PolarHBondContact O-N 2.91Å; A198-L201 HydrophobicContact CB-CD2 3.84Å; A198-Q244 PolarHBondContact O-NE2 2.67Å; A198-Q244 VanDerWaalsContact O-NE2 3.14Å; A198-L247 PolarHBondContact N-O 3.46Å; A198-P249 HydrophobicContact CB-CG 4.48Å | ||
| 199 | K | 81.4 | Confident | 84.3 | Confident | 189 Ų | 189 | 61.8 Ų | 61.8 | 82% | 0.822 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -58.9 | -35.5 | 177.4 | -64.2 | -171.4 | 177.6 | -173.3 | 0 | 113.1 | P197 Q244 | P197-K199 PolarHBondContact O-N 3.2Å; P197-K199 VanDerWaalsContact O-N 3.09Å; K199-Q244 PolarHBondContact O-NE2 2.73Å; K199-Q244 VanDerWaalsContact O-NE2 3.08Å |
| 200 | T | 79.6 | Confident | 84.8 | Confident | 120 Ų | 120 | 66 Ų | 66 | 74% | 0.736 | 39% | 0.387 | S | S | * | . | trans | -114 | 125.4 | 179.7 | -49.8 | 0 | 0 | 0 | 0 | 110.2 | A198 | A198-T200 VanDerWaalsContact C-N 3.27Å; A198-T200 PolarHBondContact O-N 2.91Å | ||
| 201 | L | 78.7 | Confident | 85.2 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 20% | 0.204 | 39% | 0.393 | C | S | . | . | trans | -117.9 | 125.2 | 176 | -61.2 | 179.6 | 0 | 0 | 0 | 110.1 | A198 L205 V220 I229 Q244 L247 | A198-L201 HydrophobicContact CB-CD2 3.84Å; L201-L205 HydrophobicContact CD2-CD2 4.02Å; L201-V220 HydrophobicContact CD2-CG2 4.46Å; L201-I229 HydrophobicContact CD1-CD1 3.57Å; L201-I229 HydrophobicContact CD1-CG1 3.59Å; L201-I229 HydrophobicContact CD1-CG2 4.31Å; L201-Q244 HydrophobicContact CD1-CB 4.2Å; L201-Q244 HydrophobicContact CD1-CG 3.72Å; L201-Q244 HydrophobicContact CG-CG 4.35Å; L201-L247 HydrophobicContact CD1-CD2 3.89Å; L201-L247 HydrophobicContact CD2-CB 4.27Å; L201-L247 HydrophobicContact CD2-CD2 3.67Å; L201-L247 HydrophobicContact CG-CD2 4.46Å | ||
| 202 | C | 78.1 | Confident | 85.7 | Confident | 72 Ų | 72 | 69 Ų | 69 | 49% | 0.486 | 39% | 0.386 | S | S | . | . | trans | -113.8 | 156.9 | 167.4 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | T204 L205 V220 | C202-T204 PolarHBondContact O-N 3.1Å; C202-L205 VanDerWaalsContact O-CB 3.3Å; C202-L205 WeakPolarHBondContact O-CB 3.46Å; C202-L205 PolarHBondContact O-N 3.41Å; C202-V220 WeakPolarHBondContact O-CG1 3.47Å | ||
| 203 | K | 78.1 | Confident | 86.3 | Confident | 160 Ų | 160 | 74.1 Ų | 74.1 | 70% | 0.696 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 140.3 | 169.9 | -66.5 | -177.7 | -177.7 | 170.8 | 0 | 108.5 | L205 | K203-L205 VanDerWaalsContact C-N 3.29Å; K203-L205 PolarHBondContact O-N 2.86Å |
| 204 | T | 80.9 | Confident | 87.2 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 54% | 0.54 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | -0.1 | -178.2 | 78 | 0 | 0 | 0 | 0 | 117.3 | C202 P206 K219 V220 | C202-T204 PolarHBondContact O-N 3.1Å; T204-P206 WeakPolarHBondContact O-CD 3.47Å; T204-K219 VanDerWaalsContact CA-CE 3.45Å; T204-K219 VanDerWaalsContact O-CE 3.3Å; T204-K219 WeakPolarHBondContact O-CE 3.49Å; T204-V220 VanDerWaalsContact CA-O 3.31Å; T204-V220 WeakPolarHBondContact CA-O 3.46Å; T204-V220 PolarHBondContact N-O 2.71Å |
| 205 | L | 83.8 | Confident | 88.1 | Confident | 47 Ų | 47 | 74 Ų | 74 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | trans | -56.4 | 127.9 | 177.3 | -172.6 | 65 | 0 | 0 | 0 | 112.2 | L201 C202 K203 V207 K219 V220 | L201-L205 HydrophobicContact CD2-CD2 4.02Å; C202-L205 VanDerWaalsContact O-CB 3.3Å; C202-L205 WeakPolarHBondContact O-CB 3.46Å; C202-L205 PolarHBondContact O-N 3.41Å; K203-L205 VanDerWaalsContact C-N 3.29Å; K203-L205 PolarHBondContact O-N 2.86Å; L205-V207 HydrophobicContact CD2-CG1 3.92Å; L205-V207 HydrophobicContact CG-CG1 3.98Å; L205-K219 WeakPolarHBondContact O-CA 3.17Å; L205-V220 HydrophobicContact CB-CB 4.3Å; L205-V220 HydrophobicContact CB-CG2 4.11Å; L205-V220 PolarHBondContact O-N 3.42Å | ||
| 206 | P | 90.9 | Very high | 88.9 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 127.3 | 166.2 | -16.3 | 31.4 | 0 | 0 | 0 | 110.6 | T204 L250 | T204-P206 WeakPolarHBondContact O-CD 3.47Å; P206-L250 HydrophobicContact CB-CB 4.27Å; P206-L250 HydrophobicContact CB-CD2 3.82Å |
| 207 | V | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 160.3 | -178 | -66.6 | 0 | 0 | 0 | 0 | 110.6 | L205 V209 G218 V220 V231 L247 Y248 | L205-V207 HydrophobicContact CD2-CG1 3.92Å; L205-V207 HydrophobicContact CG-CG1 3.98Å; V207-V209 HydrophobicContact CG2-CG1 4.31Å; V207-G218 PolarHBondContact N-O 2.88Å; V207-G218 WeakPolarHBondContact O-CA 3.4Å; V207-G218 PolarHBondContact O-N 2.93Å; V207-V220 HydrophobicContact CG1-CG2 3.96Å; V207-V220 HydrophobicContact CG2-CG2 4.17Å; V207-V231 HydrophobicContact CG2-CG1 3.92Å; V207-V231 HydrophobicContact CG2-CG2 4.49Å; V207-L247 HydrophobicContact CG1-CB 4.49Å; V207-L247 HydrophobicContact CG1-CD2 4.3Å; V207-L247 HydrophobicContact CG2-CD2 4.3Å; V207-L247 HydrophobicContact CG2-CG 4.3Å; V207-Y248 CarbonylContact C-O 3.59Å; V207-Y248 WeakPolarHBondContact CA-O 3.29Å; V207-Y248 WeakPolarHBondContact CB-O 3.49Å |
| 208 | A | 96 | Very high | 89.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 144.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | M186 Y190 W215 R216 Y248 L250 | M186-A208 HydrophobicContact CE-CB 3.68Å; Y190-A208 HydrophobicContact CE1-CB 3.98Å; Y190-A208 HydrophobicContact CE2-CB 3.66Å; Y190-A208 WeakPolarHBondContact OH-CB 3.47Å; A208-W215 HydrophobicContact CB-CE3 4.09Å; A208-W215 HydrophobicContact CB-CZ3 4.37Å; A208-R216 WeakPolarHBondContact CA-O 3.5Å; A208-Y248 PolarHBondContact N-O 3.36Å; A208-Y248 PolarHBondContact O-N 3.37Å; A208-L250 HydrophobicContact CB-CD1 4.08Å |
| 209 | V | 96.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 149.6 | 177 | -67.4 | 0 | 0 | 0 | 0 | 109.2 | V207 R216 V231 L233 F242 L247 | V207-V209 HydrophobicContact CG2-CG1 4.31Å; V209-R216 HydrophobicContact CG2-CB 4.35Å; V209-R216 PolarHBondContact N-O 2.74Å; V209-R216 VanDerWaalsContact N-O 3.09Å; V209-R216 PolarHBondContact O-N 2.83Å; V209-V231 HydrophobicContact CG1-CG1 4.33Å; V209-V231 HydrophobicContact CG1-CG2 4.45Å; V209-V231 HydrophobicContact CG2-CG1 4.43Å; V209-L233 HydrophobicContact CG2-CD2 3.46Å; V209-L233 VanDerWaalsContact CG2-CD2 3.46Å; V209-F242 HydrophobicContact CB-CD1 4.35Å; V209-F242 HydrophobicContact CB-CD2 4.45Å; V209-F242 HydrophobicContact CB-CE1 3.97Å; V209-F242 HydrophobicContact CB-CE2 4.05Å; V209-F242 HydrophobicContact CB-CZ 3.8Å; V209-F242 HydrophobicContact CG1-CD2 4.13Å; V209-F242 HydrophobicContact CG1-CE2 4.15Å; V209-F242 HydrophobicContact CG1-CG 4.3Å; V209-F242 HydrophobicContact CG1-CZ 4.37Å; V209-F242 HydrophobicContact CG2-CE1 4.29Å; V209-F242 HydrophobicContact CG2-CE2 3.79Å; V209-F242 HydrophobicContact CG2-CZ 3.62Å; V209-L247 HydrophobicContact CG1-CD1 4.11Å; V209-L247 HydrophobicContact CG1-CG 3.93Å |
| 210 | Q | 95.8 | Very high | 90.9 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.9 | 172.6 | -161 | -176.1 | 19.9 | 0 | 0 | 110.2 | Q213 K214 F242 | Q210-Q213 PolarHBondContact NE2-O 3.21Å; Q210-K214 CarbonylContact C-O 3.47Å; Q210-K214 WeakPolarHBondContact CA-O 3.09Å; Q210-F242 WeakPolarHBondContact O-CE1 3.41Å |
| 211 | H | 96.2 | Very high | 91.6 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 19% | 0.185 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 130.9 | 178.8 | -174.1 | -94.6 | 0 | 0 | 0 | 109.6 | Q213 K214 R216 L233 F242 | H211-Q213 VanDerWaalsContact C-N 3.26Å; H211-Q213 PolarHBondContact O-N 3.02Å; H211-K214 PolarHBondContact N-O 3.21Å; H211-K214 PolarHBondContact O-N 3Å; H211-R216 HydrophobicContact CB-CG 3.78Å; H211-L233 HydrophobicContact CB-CD1 3.97Å; H211-F242 HydrophobicContact CB-CZ 4.37Å |
| 212 | E | 94.7 | Very high | 92.3 | Very high | 128 Ų | 128 | 61.4 Ų | 61.4 | 60% | 0.598 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 45.3 | -173.6 | -57.2 | 148.1 | 147.1 | 0 | 0 | 111.8 | K214 R216 | E212-K214 PolarHBondContact O-N 3.07Å; E212-R216 IonicContact OE2-NH2 2.86Å; E212-R216 PolarHBondContact OE2-NH2 3.07Å |
| 213 | Q | 93.2 | Very high | 93 | Very high | 154 Ų | 154 | 65.1 Ų | 65.1 | 72% | 0.72 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | -2.8 | -171.9 | -53 | -64 | 8.5 | 0 | 0 | 116.4 | Q210 H211 | Q210-Q213 PolarHBondContact NE2-O 3.21Å; H211-Q213 VanDerWaalsContact C-N 3.26Å; H211-Q213 PolarHBondContact O-N 3.02Å |
| 214 | K | 95.9 | Very high | 93.7 | Very high | 83 Ų | 83 | 58.6 Ų | 58.6 | 36% | 0.361 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.5 | -179.5 | -67.7 | -175 | 173.8 | -171.1 | 0 | 112.7 | E183 Q210 H211 E212 R216 | E183-K214 HydrophobicContact CG-CD 4.35Å; E183-K214 IonicContact OE2-NZ 3.17Å; E183-K214 PolarHBondContact OE2-NZ 2.82Å; Q210-K214 CarbonylContact C-O 3.47Å; Q210-K214 WeakPolarHBondContact CA-O 3.09Å; H211-K214 PolarHBondContact N-O 3.21Å; H211-K214 PolarHBondContact O-N 3Å; E212-K214 PolarHBondContact O-N 3.07Å; K214-R216 PolarHBondContact O-N 3Å |
| 215 | W | 95.6 | Very high | 94.1 | Very high | 35 Ų | 35 | 67.1 Ų | 67.1 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 126.5 | 167.6 | -69.6 | 97.5 | 0 | 0 | 0 | 111 | M186 Q187 Y190 A208 Y248 | M186-W215 HydrophobicContact CB-CB 4.08Å; M186-W215 HydrophobicContact CE-CB 4.42Å; Q187-W215 PolarHBondContact NE2-O 3.45Å; Y190-W215 HydrophobicContact CD1-CD2 4.15Å; Y190-W215 AromaticContact CD1-CE3 3.99Å; Y190-W215 HydrophobicContact CD1-CE3 3.99Å; Y190-W215 HydrophobicContact CD1-CH2 4.07Å; Y190-W215 HydrophobicContact CD1-CZ2 4.26Å; Y190-W215 AromaticContact CD1-CZ3 3.95Å; Y190-W215 HydrophobicContact CD1-CZ3 3.95Å; Y190-W215 HydrophobicContact CD2-CB 4.16Å; Y190-W215 AromaticContact CD2-CD2 3.99Å; Y190-W215 HydrophobicContact CD2-CD2 3.99Å; Y190-W215 HydrophobicContact CD2-CE3 4.12Å; Y190-W215 HydrophobicContact CD2-CG 4Å; Y190-W215 HydrophobicContact CE1-CE3 4.4Å; Y190-W215 HydrophobicContact CE1-CZ3 4.28Å; Y190-W215 AromaticContact CG-CD2 3.63Å; Y190-W215 HydrophobicContact CG-CD2 3.63Å; Y190-W215 AromaticContact CG-CE2 3.9Å; Y190-W215 AromaticContact CG-CE3 3.86Å; Y190-W215 HydrophobicContact CG-CE3 3.86Å; Y190-W215 AromaticContact CG-CG 3.98Å; Y190-W215 HydrophobicContact CG-CG 3.98Å; Y190-W215 HydrophobicContact CG-CH2 4.48Å; Y190-W215 HydrophobicContact CG-CZ2 4.31Å; Y190-W215 HydrophobicContact CG-CZ3 4.27Å; A208-W215 HydrophobicContact CB-CE3 4.09Å; A208-W215 HydrophobicContact CB-CZ3 4.37Å; W215-Y248 HydrophobicContact CH2-CD1 4.33Å; W215-Y248 AromaticContact CH2-CD2 3.55Å; W215-Y248 HydrophobicContact CH2-CD2 3.55Å; W215-Y248 HydrophobicContact CH2-CE1 4.34Å; W215-Y248 AromaticContact CH2-CE2 3.59Å; W215-Y248 HydrophobicContact CH2-CE2 3.59Å; W215-Y248 AromaticContact CH2-CG 3.94Å; W215-Y248 HydrophobicContact CH2-CG 3.94Å; W215-Y248 AromaticContact CH2-CZ 3.99Å; W215-Y248 AromaticContact CZ3-CD2 3.53Å; W215-Y248 HydrophobicContact CZ3-CD2 3.53Å; W215-Y248 HydrophobicContact CZ3-CE2 4.03Å; W215-Y248 AromaticContact CZ3-CG 3.91Å; W215-Y248 HydrophobicContact CZ3-CG 3.91Å |
| 216 | R | 97.2 | Very high | 94.5 | Very high | 27 Ų | 27 | 69 Ų | 69 | 10% | 0.102 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 149.2 | -178.3 | -55.2 | -54.1 | -166.6 | 164.3 | 4.2 | 110.7 | E183 A208 V209 H211 E212 K214 L233 | E183-R216 IonicContact OE1-CZ 2.89Å; E183-R216 IonicContact OE1-NH1 3.65Å; E183-R216 PolarHBondContact OE1-NH1 3.11Å; E183-R216 IonicContact OE1-NH2 3.5Å; A208-R216 WeakPolarHBondContact CA-O 3.5Å; V209-R216 HydrophobicContact CG2-CB 4.35Å; V209-R216 PolarHBondContact N-O 2.74Å; V209-R216 VanDerWaalsContact N-O 3.09Å; V209-R216 PolarHBondContact O-N 2.83Å; H211-R216 HydrophobicContact CB-CG 3.78Å; E212-R216 IonicContact OE2-NH2 2.86Å; E212-R216 PolarHBondContact OE2-NH2 3.07Å; K214-R216 PolarHBondContact O-N 3Å; R216-L233 HydrophobicContact CB-CD2 4.15Å; R216-L233 HydrophobicContact CG-CD1 4.44Å |
| 217 | R | 96.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 67.9 Ų | 67.9 | 1% | 0.011 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.2 | 166.8 | -55.5 | -167.2 | -60.5 | 153.1 | 2.4 | 109.9 | I182 M186 L233 I234 D235 L250 F254 V257 P258 | I182-R217 HydrophobicContact CG2-CG 4.39Å; M186-R217 HydrophobicContact CE-CG 3.96Å; M186-R217 HydrophobicContact SD-CB 4.47Å; M186-R217 HydrophobicContact SD-CG 3.31Å; M186-R217 WeakPolarHBondContact SD-CG 3.42Å; R217-L233 CarbonylContact O-C 3.6Å; R217-L233 WeakPolarHBondContact O-CA 3.36Å; R217-I234 HydrophobicContact CB-CD1 3.88Å; R217-I234 HydrophobicContact CB-CG1 3.67Å; R217-I234 PolarHBondContact O-N 3.28Å; R217-D235 IonicContact CZ-OD1 3.43Å; R217-D235 IonicContact CZ-OD2 3.52Å; R217-D235 IonicContact NE-OD1 2.75Å; R217-D235 IonicContact NE-OD2 2.76Å; R217-D235 PolarHBondContact NE-OD2 3.2Å; R217-D235 VanDerWaalsContact NH2-CG 3.29Å; R217-D235 IonicContact NH2-OD1 2.71Å; R217-D235 PolarHBondContact NH2-OD1 3.06Å; R217-D235 IonicContact NH2-OD2 3.46Å; R217-D235 PolarHBondContact NH2-OD2 3.23Å; R217-D235 VanDerWaalsContact NH2-OD2 3.11Å; R217-L250 HydrophobicContact CB-CD2 4.46Å; R217-L250 HydrophobicContact CG-CD1 4.13Å; R217-L250 HydrophobicContact CG-CD2 4.42Å; R217-F254 VanDerWaalsContact CD-O 3.23Å; R217-F254 WeakPolarHBondContact CD-O 3.46Å; R217-F254 PolarHBondContact NH1-O 3.09Å; R217-V257 PolarHBondContact NH1-O 2.71Å; R217-P258 PolarHBondContact NH2-O 2.75Å |
| 218 | G | 96.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 159.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | V207 V231 K232 | V207-G218 PolarHBondContact N-O 2.88Å; V207-G218 WeakPolarHBondContact O-CA 3.4Å; V207-G218 PolarHBondContact O-N 2.93Å; G218-V231 VanDerWaalsContact CA-CG1 3.49Å; G218-K232 CarbonylContact C-O 3.6Å; G218-K232 VanDerWaalsContact CA-O 3.29Å; G218-K232 WeakPolarHBondContact CA-O 3.45Å |
| 219 | K | 94 | Very high | 94.5 | Very high | 97 Ų | 97 | 70.9 Ų | 70.9 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.5 | 167.6 | -177.9 | 170.5 | -176.1 | 169.5 | 0 | 109.3 | T204 L205 I221 V231 K232 I234 | T204-K219 VanDerWaalsContact CA-CE 3.45Å; T204-K219 VanDerWaalsContact O-CE 3.3Å; T204-K219 WeakPolarHBondContact O-CE 3.49Å; L205-K219 WeakPolarHBondContact O-CA 3.17Å; K219-I221 PolarHBondContact O-N 3.36Å; K219-V231 WeakPolarHBondContact O-CA 3.38Å; K219-K232 PolarHBondContact N-O 2.71Å; K219-K232 PolarHBondContact O-N 3.4Å; K219-I234 HydrophobicContact CB-CG2 3.67Å |
| 220 | V | 94.7 | Very high | 94.5 | Very high | 7 Ų | 7 | 72.3 Ų | 72.3 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 126 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 110 | L201 C202 T204 L205 V207 I229 L247 | L201-V220 HydrophobicContact CD2-CG2 4.46Å; C202-V220 WeakPolarHBondContact O-CG1 3.47Å; T204-V220 VanDerWaalsContact CA-O 3.31Å; T204-V220 WeakPolarHBondContact CA-O 3.46Å; T204-V220 PolarHBondContact N-O 2.71Å; L205-V220 HydrophobicContact CB-CB 4.3Å; L205-V220 HydrophobicContact CB-CG2 4.11Å; L205-V220 PolarHBondContact O-N 3.42Å; V207-V220 HydrophobicContact CG1-CG2 3.96Å; V207-V220 HydrophobicContact CG2-CG2 4.17Å; V220-I229 HydrophobicContact CG1-CG2 3.79Å; V220-I229 HydrophobicContact CG2-CG2 4.22Å; V220-L247 HydrophobicContact CG2-CD2 3.76Å |
| 221 | I | 94.1 | Very high | 94.6 | Very high | 68 Ų | 68 | 67.8 Ų | 67.8 | 35% | 0.349 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -61.2 | 174.3 | -49.2 | -178.3 | 0 | 0 | 0 | 109.3 | K219 E230 K232 V239 | K219-I221 PolarHBondContact O-N 3.36Å; I221-E230 HydrophobicContact CB-CB 4.03Å; I221-E230 HydrophobicContact CD1-CB 4.3Å; I221-E230 HydrophobicContact CG1-CB 4.41Å; I221-E230 PolarHBondContact N-O 2.82Å; I221-K232 HydrophobicContact CD1-CB 4.03Å; I221-K232 HydrophobicContact CG1-CB 4.21Å; I221-V239 HydrophobicContact CD1-CB 4.29Å; I221-V239 HydrophobicContact CD1-CG1 3.55Å; I221-V239 HydrophobicContact CD1-CG2 3.7Å |
| 222 | R | 93.6 | Very high | 94.6 | Very high | 122 Ų | 122 | 68.2 Ų | 68.2 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 168.3 | -176.7 | 60.7 | 175.6 | 179.5 | 141.9 | 10.6 | 111.2 | N224 E230 | R222-N224 PolarHBondContact NE-OD1 3.36Å; R222-N224 VanDerWaalsContact NE-OD1 3.09Å; R222-N224 PolarHBondContact NH2-OD1 3.02Å; R222-E230 HydrophobicContact CG-CB 4.11Å; R222-E230 HydrophobicContact CG-CG 4.49Å; R222-E230 WeakPolarHBondContact CG-OE2 3.3Å; R222-E230 IonicContact CZ-OE1 2.74Å; R222-E230 IonicContact CZ-OE2 3.31Å; R222-E230 VanDerWaalsContact NE-CD 3.3Å; R222-E230 IonicContact NE-OE1 2.71Å; R222-E230 PolarHBondContact NE-OE1 2.96Å; R222-E230 IonicContact NE-OE2 3.67Å; R222-E230 PolarHBondContact NE-OE2 2.78Å; R222-E230 IonicContact NH2-OE1 3.11Å; R222-E230 PolarHBondContact NH2-OE1 3.36Å; R222-E230 IonicContact NH2-OE2 3.34Å; R222-E230 PolarHBondContact NH2-OE2 3.43Å; R222-E230 PolarHBondContact O-N 3.42Å |
| 223 | R | 93.6 | Very high | 94.7 | Very high | 150 Ų | 150 | 62.1 Ų | 62.1 | 57% | 0.566 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 141.8 | 157.7 | -177.8 | 176.7 | -76.8 | 154.1 | -4.5 | 108.8 | G227 K228 I229 | R223-G227 WeakPolarHBondContact CG-O 3.31Å; R223-K228 CarbonylContact C-O 3.55Å; R223-K228 WeakPolarHBondContact CA-O 3.26Å; R223-I229 HydrophobicContact CB-CD1 3.97Å; R223-I229 HydrophobicContact CG-CD1 4Å |
| 224 | N | 92 | Very high | 94.8 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | trans | -93.5 | 167.7 | 177.6 | -79.4 | -5.7 | 0 | 0 | 0 | 111.9 | R222 D226 G227 K228 E230 N241 | R222-N224 PolarHBondContact NE-OD1 3.36Å; R222-N224 VanDerWaalsContact NE-OD1 3.09Å; R222-N224 PolarHBondContact NH2-OD1 3.02Å; N224-D226 WeakPolarHBondContact CB-OD1 3.16Å; N224-D226 PolarHBondContact O-N 3.45Å; N224-G227 PolarHBondContact O-N 2.94Å; N224-K228 PolarHBondContact N-O 3.16Å; N224-E230 WeakPolarHBondContact ND2-CG 3.39Å; N224-E230 PolarHBondContact ND2-OE1 2.85Å; N224-E230 PolarHBondContact OD1-OE1 3.09Å; N224-N241 PolarHBondContact ND2-OD1 3.35Å | ||
| 225 | R | 90.6 | Very high | 94.8 | Very high | 268 Ų | 268 | 52.9 Ų | 52.9 | 100% | 1.011 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.4 | 179.4 | -67.2 | -175.2 | 179.8 | 175.1 | -0.3 | 113.3 | G227 | R225-G227 VanDerWaalsContact C-N 3.34Š|
| 226 | D | 92.1 | Very high | 94.8 | Very high | 87 Ų | 87 | 52.5 Ų | 52.5 | 47% | 0.465 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 18.4 | 175.2 | 74.6 | -42.7 | 0 | 0 | 0 | 113.3 | N224 K228 | N224-D226 WeakPolarHBondContact CB-OD1 3.16Å; N224-D226 PolarHBondContact O-N 3.45Å; D226-K228 PolarHBondContact O-N 3.17Å; D226-K228 VanDerWaalsContact O-N 3.12Å; D226-K228 WeakPolarHBondContact OD2-CD 3.39Å; D226-K228 VanDerWaalsContact OD2-CE 3.27Å; D226-K228 WeakPolarHBondContact OD2-CE 3.44Å; D226-K228 IonicContact OD2-NZ 3.45Å; D226-K228 PolarHBondContact OD2-NZ 3.46Å |
| 227 | G | 91.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 81 | -22.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R223 N224 R225 | R223-G227 WeakPolarHBondContact CG-O 3.31Å; N224-G227 PolarHBondContact O-N 2.94Å; R225-G227 VanDerWaalsContact C-N 3.34Å |
| 228 | K | 95.1 | Very high | 94.6 | Very high | 59 Ų | 59 | 52.3 Ų | 52.3 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -63.5 | 156.4 | -179.6 | -71.7 | 176.1 | -162.4 | 45.5 | 0 | 112.9 | R223 N224 D226 N241 E243 | R223-K228 CarbonylContact C-O 3.55Å; R223-K228 WeakPolarHBondContact CA-O 3.26Å; N224-K228 PolarHBondContact N-O 3.16Å; D226-K228 PolarHBondContact O-N 3.17Å; D226-K228 VanDerWaalsContact O-N 3.12Å; D226-K228 WeakPolarHBondContact OD2-CD 3.39Å; D226-K228 VanDerWaalsContact OD2-CE 3.27Å; D226-K228 WeakPolarHBondContact OD2-CE 3.44Å; D226-K228 IonicContact OD2-NZ 3.45Å; D226-K228 PolarHBondContact OD2-NZ 3.46Å; K228-N241 HydrophobicContact CB-CB 4.26Å; K228-N241 HydrophobicContact CD-CB 4Å; K228-E243 WeakPolarHBondContact CE-OE1 3.27Å; K228-E243 VanDerWaalsContact CG-OE1 3.29Å; K228-E243 WeakPolarHBondContact CG-OE1 3.48Å; K228-E243 WeakPolarHBondContact CG-OE2 3.14Å; K228-E243 IonicContact NZ-OE1 3.08Å; K228-E243 PolarHBondContact NZ-OE1 3.16Å; K228-E243 VanDerWaalsContact NZ-OE1 3.08Å |
| 229 | I | 95.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.1 | 178.1 | -44.8 | -60.5 | 0 | 0 | 0 | 109.3 | L201 V220 R223 V231 N241 F242 Q244 L247 | L201-I229 HydrophobicContact CD1-CD1 3.57Å; L201-I229 HydrophobicContact CD1-CG1 3.59Å; L201-I229 HydrophobicContact CD1-CG2 4.31Å; V220-I229 HydrophobicContact CG1-CG2 3.79Å; V220-I229 HydrophobicContact CG2-CG2 4.22Å; R223-I229 HydrophobicContact CB-CD1 3.97Å; R223-I229 HydrophobicContact CG-CD1 4Å; I229-V231 HydrophobicContact CG2-CG2 4.09Å; I229-V231 PolarHBondContact O-N 2.7Å; I229-N241 WeakPolarHBondContact O-CA 3.39Å; I229-F242 PolarHBondContact N-O 3.06Å; I229-F242 PolarHBondContact O-N 3.49Å; I229-Q244 HydrophobicContact CG1-CB 4.37Å; I229-L247 HydrophobicContact CB-CD1 4.31Å; I229-L247 HydrophobicContact CB-CD2 4.06Å; I229-L247 HydrophobicContact CG1-CD2 4.27Å; I229-L247 HydrophobicContact CG2-CD2 3.7Å |
| 230 | E | 96.4 | Very high | 94.7 | Very high | 30 Ų | 30 | 52.8 Ų | 52.8 | 14% | 0.14 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 120.1 | 167.8 | -86 | 178 | -171.1 | 0 | 0 | 109.7 | I221 R222 N224 V239 N241 | I221-E230 HydrophobicContact CB-CB 4.03Å; I221-E230 HydrophobicContact CD1-CB 4.3Å; I221-E230 HydrophobicContact CG1-CB 4.41Å; I221-E230 PolarHBondContact N-O 2.82Å; R222-E230 HydrophobicContact CG-CB 4.11Å; R222-E230 HydrophobicContact CG-CG 4.49Å; R222-E230 WeakPolarHBondContact CG-OE2 3.3Å; R222-E230 IonicContact CZ-OE1 2.74Å; R222-E230 IonicContact CZ-OE2 3.31Å; R222-E230 VanDerWaalsContact NE-CD 3.3Å; R222-E230 IonicContact NE-OE1 2.71Å; R222-E230 PolarHBondContact NE-OE1 2.96Å; R222-E230 IonicContact NE-OE2 3.67Å; R222-E230 PolarHBondContact NE-OE2 2.78Å; R222-E230 IonicContact NH2-OE1 3.11Å; R222-E230 PolarHBondContact NH2-OE1 3.36Å; R222-E230 IonicContact NH2-OE2 3.34Å; R222-E230 PolarHBondContact NH2-OE2 3.43Å; R222-E230 PolarHBondContact O-N 3.42Å; N224-E230 WeakPolarHBondContact ND2-CG 3.39Å; N224-E230 PolarHBondContact ND2-OE1 2.85Å; N224-E230 PolarHBondContact OD1-OE1 3.09Å; E230-V239 HydrophobicContact CB-CG1 4.16Å; E230-V239 HydrophobicContact CG-CG1 4.16Å; E230-N241 WeakPolarHBondContact CG-OD1 3.49Å |
| 231 | V | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123.3 | 177.7 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | V207 V209 G218 K219 I229 L233 V239 V240 F242 L247 | V207-V231 HydrophobicContact CG2-CG1 3.92Å; V207-V231 HydrophobicContact CG2-CG2 4.49Å; V209-V231 HydrophobicContact CG1-CG1 4.33Å; V209-V231 HydrophobicContact CG1-CG2 4.45Å; V209-V231 HydrophobicContact CG2-CG1 4.43Å; G218-V231 VanDerWaalsContact CA-CG1 3.49Å; K219-V231 WeakPolarHBondContact O-CA 3.38Å; I229-V231 HydrophobicContact CG2-CG2 4.09Å; I229-V231 PolarHBondContact O-N 2.7Å; V231-L233 HydrophobicContact CG1-CD2 4.38Å; V231-V239 WeakPolarHBondContact O-CA 3Å; V231-V240 PolarHBondContact N-O 3.41Å; V231-V240 PolarHBondContact O-N 2.85Å; V231-F242 HydrophobicContact CB-CD2 3.8Å; V231-F242 HydrophobicContact CB-CE2 3.96Å; V231-F242 HydrophobicContact CG2-CD2 3.8Å; V231-F242 HydrophobicContact CG2-CE2 4.43Å; V231-L247 HydrophobicContact CG2-CD1 4.16Å; V231-L247 HydrophobicContact CG2-CD2 3.91Å; V231-L247 HydrophobicContact CG2-CG 4.15Å |
| 232 | K | 96.3 | Very high | 94.9 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 123.1 | 168 | -178 | 163.2 | -177.4 | 126.9 | 0 | 109.5 | H169 G218 K219 I221 I234 G237 C238 V239 | H169-K232 PolarHBondContact CE1-NZ 2.8Å; H169-K232 VanDerWaalsContact CE1-NZ 3.32Å; H169-K232 PolarHBondContact NE2-NZ 2.85Å; G218-K232 CarbonylContact C-O 3.6Å; G218-K232 VanDerWaalsContact CA-O 3.29Å; G218-K232 WeakPolarHBondContact CA-O 3.45Å; K219-K232 PolarHBondContact N-O 2.71Å; K219-K232 PolarHBondContact O-N 3.4Å; I221-K232 HydrophobicContact CD1-CB 4.03Å; I221-K232 HydrophobicContact CG1-CB 4.21Å; K232-I234 PolarHBondContact O-N 3.46Å; K232-G237 WeakPolarHBondContact CE-O 3.04Å; K232-G237 PolarHBondContact NZ-O 3.31Å; K232-C238 WeakPolarHBondContact CA-O 3.32Å; K232-V239 HydrophobicContact CB-CG2 4.27Å; K232-V239 HydrophobicContact CG-CG2 4.41Å |
| 233 | L | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 102 | 174 | -56.9 | -172.9 | 0 | 0 | 0 | 108.4 | V209 H211 R216 R217 V231 D235 L236 G237 C238 V240 F242 | V209-L233 HydrophobicContact CG2-CD2 3.46Å; V209-L233 VanDerWaalsContact CG2-CD2 3.46Å; H211-L233 HydrophobicContact CB-CD1 3.97Å; R216-L233 HydrophobicContact CB-CD2 4.15Å; R216-L233 HydrophobicContact CG-CD1 4.44Å; R217-L233 CarbonylContact O-C 3.6Å; R217-L233 WeakPolarHBondContact O-CA 3.36Å; V231-L233 HydrophobicContact CG1-CD2 4.38Å; L233-D235 PolarHBondContact O-N 3.17Å; L233-L236 HydrophobicContact CB-CB 4.11Å; L233-L236 HydrophobicContact CB-CD1 4.41Å; L233-L236 HydrophobicContact CD1-CD1 3.97Å; L233-L236 PolarHBondContact O-N 2.91Å; L233-G237 PolarHBondContact O-N 3.46Å; L233-C238 PolarHBondContact N-O 3.12Å; L233-V240 HydrophobicContact CD1-CG2 4.12Å; L233-V240 HydrophobicContact CG-CG2 4.46Å; L233-F242 HydrophobicContact CD2-CE2 4.28Å; L233-F242 HydrophobicContact CD2-CZ 4.43Å |
| 234 | I | 94.8 | Very high | 94.9 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9.5 | -162.5 | 65.3 | 171.6 | 0 | 0 | 0 | 114.7 | R217 K219 K232 R259 L260 A261 | R217-I234 HydrophobicContact CB-CD1 3.88Å; R217-I234 HydrophobicContact CB-CG1 3.67Å; R217-I234 PolarHBondContact O-N 3.28Å; K219-I234 HydrophobicContact CB-CG2 3.67Å; K232-I234 PolarHBondContact O-N 3.46Å; I234-R259 HydrophobicContact CB-CB 4.11Å; I234-L260 PolarHBondContact O-N 3.45Å; I234-A261 WeakPolarHBondContact O-CB 3.36Å; I234-A261 PolarHBondContact O-N 2.96Å; I234-A261 VanDerWaalsContact O-N 3.07Å |
| 235 | D | 96.2 | Very high | 94.9 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.064 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -2.5 | 178.6 | -59.1 | -40.7 | 0 | 0 | 0 | 113.9 | F179 R217 L233 L260 | F179-D235 HydrophobicContact CD2-CB 3.9Å; F179-D235 HydrophobicContact CE2-CB 3.8Å; R217-D235 IonicContact CZ-OD1 3.43Å; R217-D235 IonicContact CZ-OD2 3.52Å; R217-D235 IonicContact NE-OD1 2.75Å; R217-D235 IonicContact NE-OD2 2.76Å; R217-D235 PolarHBondContact NE-OD2 3.2Å; R217-D235 VanDerWaalsContact NH2-CG 3.29Å; R217-D235 IonicContact NH2-OD1 2.71Å; R217-D235 PolarHBondContact NH2-OD1 3.06Å; R217-D235 IonicContact NH2-OD2 3.46Å; R217-D235 PolarHBondContact NH2-OD2 3.23Å; R217-D235 VanDerWaalsContact NH2-OD2 3.11Å; L233-D235 PolarHBondContact O-N 3.17Å; D235-L260 HydrophobicContact CB-CB 4.24Å; D235-L260 VanDerWaalsContact OD1-CB 3.26Å; D235-L260 WeakPolarHBondContact OD1-CB 3.23Å; D235-L260 VanDerWaalsContact OD1-CG 3.31Å; D235-L260 WeakPolarHBondContact OD1-CG 3.36Å; D235-L260 PolarHBondContact OD1-N 3.08Å |
| 236 | L | 95.9 | Very high | 95.1 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -19.9 | 176.3 | -59.1 | 178.5 | 0 | 0 | 0 | 112.6 | L160 F179 L233 C238 | L160-L236 VanDerWaalsContact CB-O 3.22Å; L160-L236 WeakPolarHBondContact CB-O 3.24Å; F179-L236 HydrophobicContact CE2-CD2 4.14Å; F179-L236 HydrophobicContact CZ-CD2 4.07Å; L233-L236 HydrophobicContact CB-CB 4.11Å; L233-L236 HydrophobicContact CB-CD1 4.41Å; L233-L236 HydrophobicContact CD1-CD1 3.97Å; L233-L236 PolarHBondContact O-N 2.91Å; L236-C238 PolarHBondContact O-N 3.29Å |
| 237 | G | 94.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | trans | 88.2 | -33.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | H169 K232 L233 A261 | H169-G237 PolarHBondContact CE1-O 3.05Å; H169-G237 VanDerWaalsContact CE1-O 3.26Å; H169-G237 VanDerWaalsContact CG-CA 3.4Å; H169-G237 PolarHBondContact ND1-O 3.37Å; K232-G237 WeakPolarHBondContact CE-O 3.04Å; K232-G237 PolarHBondContact NZ-O 3.31Å; L233-G237 PolarHBondContact O-N 3.46Å; G237-A261 VanDerWaalsContact N-CB 3.35Å | ||
| 238 | C | 95.3 | Very high | 95.4 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 17% | 0.169 | 20% | 0.201 | C | C | . | . | trans | -64.1 | 161.3 | -179.8 | 60 | 0 | 0 | 0 | 0 | 113.8 | D161 K232 L233 L236 | D161-C238 HydrophobicContact CB-CB 4.27Å; D161-C238 WeakPolarHBondContact OD2-CA 3.48Å; D161-C238 PolarHBondContact OD2-N 3.05Å; K232-C238 WeakPolarHBondContact CA-O 3.32Å; L233-C238 PolarHBondContact N-O 3.12Å; L236-C238 PolarHBondContact O-N 3.29Å | ||
| 239 | V | 96.2 | Very high | 95.2 | Very high | 72 Ų | 72 | 41.6 Ų | 41.6 | 44% | 0.436 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.2 | 177.4 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | I221 E230 V231 K232 | I221-V239 HydrophobicContact CD1-CB 4.29Å; I221-V239 HydrophobicContact CD1-CG1 3.55Å; I221-V239 HydrophobicContact CD1-CG2 3.7Å; E230-V239 HydrophobicContact CB-CG1 4.16Å; E230-V239 HydrophobicContact CG-CG1 4.16Å; V231-V239 WeakPolarHBondContact O-CA 3Å; K232-V239 HydrophobicContact CB-CG2 4.27Å; K232-V239 HydrophobicContact CG-CG2 4.41Å |
| 240 | V | 97 | Very high | 94.9 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 22% | 0.218 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.7 | -176.2 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | V231 L233 F242 | V231-V240 PolarHBondContact N-O 3.41Å; V231-V240 PolarHBondContact O-N 2.85Å; L233-V240 HydrophobicContact CD1-CG2 4.12Å; L233-V240 HydrophobicContact CG-CG2 4.46Å; V240-F242 HydrophobicContact CB-CD2 4.32Å; V240-F242 HydrophobicContact CB-CE2 3.61Å; V240-F242 HydrophobicContact CB-CZ 3.98Å; V240-F242 HydrophobicContact CG1-CD2 4.24Å; V240-F242 HydrophobicContact CG1-CE1 4.28Å; V240-F242 HydrophobicContact CG1-CE2 3.69Å; V240-F242 HydrophobicContact CG1-CZ 3.7Å |
| 241 | N | 96.7 | Very high | 94.4 | Very high | 76 Ų | 76 | 42.1 Ų | 42.1 | 41% | 0.406 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.7 | 175.7 | -69.1 | -34.9 | 0 | 0 | 0 | 110.3 | N224 K228 I229 E230 | N224-N241 PolarHBondContact ND2-OD1 3.35Å; K228-N241 HydrophobicContact CB-CB 4.26Å; K228-N241 HydrophobicContact CD-CB 4Å; I229-N241 WeakPolarHBondContact O-CA 3.39Å; E230-N241 WeakPolarHBondContact CG-OD1 3.49Å |
| 242 | F | 96.3 | Very high | 93.5 | Very high | 16 Ų | 16 | 49 Ų | 49 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150.2 | 176.7 | -64.9 | -86.1 | 0 | 0 | 0 | 110.9 | V209 Q210 H211 I229 V231 L233 V240 R246 L247 | V209-F242 HydrophobicContact CB-CD1 4.35Å; V209-F242 HydrophobicContact CB-CD2 4.45Å; V209-F242 HydrophobicContact CB-CE1 3.97Å; V209-F242 HydrophobicContact CB-CE2 4.05Å; V209-F242 HydrophobicContact CB-CZ 3.8Å; V209-F242 HydrophobicContact CG1-CD2 4.13Å; V209-F242 HydrophobicContact CG1-CE2 4.15Å; V209-F242 HydrophobicContact CG1-CG 4.3Å; V209-F242 HydrophobicContact CG1-CZ 4.37Å; V209-F242 HydrophobicContact CG2-CE1 4.29Å; V209-F242 HydrophobicContact CG2-CE2 3.79Å; V209-F242 HydrophobicContact CG2-CZ 3.62Å; Q210-F242 WeakPolarHBondContact O-CE1 3.41Å; H211-F242 HydrophobicContact CB-CZ 4.37Å; I229-F242 PolarHBondContact N-O 3.06Å; I229-F242 PolarHBondContact O-N 3.49Å; V231-F242 HydrophobicContact CB-CD2 3.8Å; V231-F242 HydrophobicContact CB-CE2 3.96Å; V231-F242 HydrophobicContact CG2-CD2 3.8Å; V231-F242 HydrophobicContact CG2-CE2 4.43Å; L233-F242 HydrophobicContact CD2-CE2 4.28Å; L233-F242 HydrophobicContact CD2-CZ 4.43Å; V240-F242 HydrophobicContact CB-CD2 4.32Å; V240-F242 HydrophobicContact CB-CE2 3.61Å; V240-F242 HydrophobicContact CB-CZ 3.98Å; V240-F242 HydrophobicContact CG1-CD2 4.24Å; V240-F242 HydrophobicContact CG1-CE1 4.28Å; V240-F242 HydrophobicContact CG1-CE2 3.69Å; V240-F242 HydrophobicContact CG1-CZ 3.7Å; F242-R246 HydrophobicContact CB-CB 4.46Å; F242-R246 HydrophobicContact CD1-CB 4.36Å; F242-L247 HydrophobicContact CB-CD1 3.53Å; F242-L247 HydrophobicContact CG-CD1 4.32Å |
| 243 | E | 94.6 | Very high | 92.7 | Very high | 76 Ų | 76 | 47.8 Ų | 47.8 | 36% | 0.355 | 24% | 0.24 | S | C | . | . | trans | -72.4 | 151.7 | 164 | -55.6 | -55.4 | 162.4 | 0 | 0 | 109.8 | K228 D245 R246 L247 | K228-E243 WeakPolarHBondContact CE-OE1 3.27Å; K228-E243 VanDerWaalsContact CG-OE1 3.29Å; K228-E243 WeakPolarHBondContact CG-OE1 3.48Å; K228-E243 WeakPolarHBondContact CG-OE2 3.14Å; K228-E243 IonicContact NZ-OE1 3.08Å; K228-E243 PolarHBondContact NZ-OE1 3.16Å; K228-E243 VanDerWaalsContact NZ-OE1 3.08Å; E243-D245 VanDerWaalsContact C-N 3.28Å; E243-D245 WeakPolarHBondContact CB-OD1 3.22Å; E243-D245 PolarHBondContact O-N 3.4Å; E243-R246 WeakPolarHBondContact O-CB 3.32Å; E243-R246 PolarHBondContact O-N 3.28Å; E243-L247 WeakPolarHBondContact O-CD1 2.93Å | ||
| 244 | Q | 91.9 | Very high | 92.2 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 28% | 0.276 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -64.4 | -30.2 | -171.4 | 170.6 | 163.7 | -10.5 | 0 | 0 | 113.5 | A198 K199 L201 I229 R246 L247 | A198-Q244 PolarHBondContact O-NE2 2.67Å; A198-Q244 VanDerWaalsContact O-NE2 3.14Å; K199-Q244 PolarHBondContact O-NE2 2.73Å; K199-Q244 VanDerWaalsContact O-NE2 3.08Å; L201-Q244 HydrophobicContact CD1-CB 4.2Å; L201-Q244 HydrophobicContact CD1-CG 3.72Å; L201-Q244 HydrophobicContact CG-CG 4.35Å; I229-Q244 HydrophobicContact CG1-CB 4.37Å; Q244-R246 PolarHBondContact O-N 3.36Å; Q244-L247 PolarHBondContact O-N 3.06Å |
| 245 | D | 92.9 | Very high | 91.6 | Very high | 93 Ų | 93 | 48.6 Ų | 48.6 | 50% | 0.497 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -62.8 | -14.7 | 173 | 66.7 | -40.7 | 0 | 0 | 0 | 113.5 | P197 E243 | P197-D245 WeakPolarHBondContact CB-O 3.18Å; P197-D245 WeakPolarHBondContact CG-O 3.47Å; E243-D245 VanDerWaalsContact C-N 3.28Å; E243-D245 WeakPolarHBondContact CB-OD1 3.22Å; E243-D245 PolarHBondContact O-N 3.4Å |
| 246 | R | 94.5 | Very high | 90.7 | Very high | 149 Ų | 149 | 53.1 Ų | 53.1 | 56% | 0.562 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -98.4 | -0.5 | 179 | -55.8 | -175.3 | -176 | -149.9 | -3.5 | 114 | F242 E243 Q244 | F242-R246 HydrophobicContact CB-CB 4.46Å; F242-R246 HydrophobicContact CD1-CB 4.36Å; E243-R246 WeakPolarHBondContact O-CB 3.32Å; E243-R246 PolarHBondContact O-N 3.28Å; Q244-R246 PolarHBondContact O-N 3.36Å |
| 247 | L | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.2 | 173.3 | -81.3 | 68.6 | 0 | 0 | 0 | 109.3 | P197 A198 L201 V207 V209 V220 I229 V231 F242 E243 Q244 | P197-L247 CarbonylContact C-O 3.56Å; P197-L247 VanDerWaalsContact CA-O 3.32Å; P197-L247 WeakPolarHBondContact CA-O 3.46Å; A198-L247 PolarHBondContact N-O 3.46Å; L201-L247 HydrophobicContact CD1-CD2 3.89Å; L201-L247 HydrophobicContact CD2-CB 4.27Å; L201-L247 HydrophobicContact CD2-CD2 3.67Å; L201-L247 HydrophobicContact CG-CD2 4.46Å; V207-L247 HydrophobicContact CG1-CB 4.49Å; V207-L247 HydrophobicContact CG1-CD2 4.3Å; V207-L247 HydrophobicContact CG2-CD2 4.3Å; V207-L247 HydrophobicContact CG2-CG 4.3Å; V209-L247 HydrophobicContact CG1-CD1 4.11Å; V209-L247 HydrophobicContact CG1-CG 3.93Å; V220-L247 HydrophobicContact CG2-CD2 3.76Å; I229-L247 HydrophobicContact CB-CD1 4.31Å; I229-L247 HydrophobicContact CB-CD2 4.06Å; I229-L247 HydrophobicContact CG1-CD2 4.27Å; I229-L247 HydrophobicContact CG2-CD2 3.7Å; V231-L247 HydrophobicContact CG2-CD1 4.16Å; V231-L247 HydrophobicContact CG2-CD2 3.91Å; V231-L247 HydrophobicContact CG2-CG 4.15Å; F242-L247 HydrophobicContact CB-CD1 3.53Å; F242-L247 HydrophobicContact CG-CD1 4.32Å; E243-L247 WeakPolarHBondContact O-CD1 2.93Å; Q244-L247 PolarHBondContact O-N 3.06Å |
| 248 | Y | 94.3 | Very high | 89.3 | Confident | 56 Ų | 56 | 55.8 Ų | 55.8 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 151.2 | 178.7 | -68.7 | -104.5 | 0 | 0 | 0 | 110.2 | L195 P197 V207 A208 W215 L250 | L195-Y248 HydrophobicContact CB-CD1 4.2Å; L195-Y248 WeakPolarHBondContact O-CE1 3.04Å; P197-Y248 HydrophobicContact CG-CE1 4.09Å; V207-Y248 CarbonylContact C-O 3.59Å; V207-Y248 WeakPolarHBondContact CA-O 3.29Å; V207-Y248 WeakPolarHBondContact CB-O 3.49Å; A208-Y248 PolarHBondContact N-O 3.36Å; A208-Y248 PolarHBondContact O-N 3.37Å; W215-Y248 HydrophobicContact CH2-CD1 4.33Å; W215-Y248 AromaticContact CH2-CD2 3.55Å; W215-Y248 HydrophobicContact CH2-CD2 3.55Å; W215-Y248 HydrophobicContact CH2-CE1 4.34Å; W215-Y248 AromaticContact CH2-CE2 3.59Å; W215-Y248 HydrophobicContact CH2-CE2 3.59Å; W215-Y248 AromaticContact CH2-CG 3.94Å; W215-Y248 HydrophobicContact CH2-CG 3.94Å; W215-Y248 AromaticContact CH2-CZ 3.99Å; W215-Y248 AromaticContact CZ3-CD2 3.53Å; W215-Y248 HydrophobicContact CZ3-CD2 3.53Å; W215-Y248 HydrophobicContact CZ3-CE2 4.03Å; W215-Y248 AromaticContact CZ3-CG 3.91Å; W215-Y248 HydrophobicContact CZ3-CG 3.91Å; Y248-L250 PolarHBondContact O-N 3.47Å |
| 249 | P | 90.7 | Very high | 88.9 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 41% | 0.409 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 136.4 | 172.7 | -21.7 | 33.2 | 0 | 0 | 0 | 110.7 | Y190 N196 A198 P251 | Y190-P249 PolarHBondContact OH-O 3.34Å; N196-P249 WeakPolarHBondContact O-CD 3.02Å; A198-P249 HydrophobicContact CB-CG 4.48Å; P249-P251 WeakPolarHBondContact O-CD 3.44Å |
| 250 | L | 90.3 | Very high | 88.6 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 117.4 | 175.3 | -171.6 | 68.8 | 0 | 0 | 0 | 110.4 | M186 P206 A208 R217 Y248 F254 A255 | M186-L250 HydrophobicContact CE-CD1 3.74Å; P206-L250 HydrophobicContact CB-CB 4.27Å; P206-L250 HydrophobicContact CB-CD2 3.82Å; A208-L250 HydrophobicContact CB-CD1 4.08Å; R217-L250 HydrophobicContact CB-CD2 4.46Å; R217-L250 HydrophobicContact CG-CD1 4.13Å; R217-L250 HydrophobicContact CG-CD2 4.42Å; Y248-L250 PolarHBondContact O-N 3.47Å; L250-F254 HydrophobicContact CD1-CB 3.73Å; L250-F254 HydrophobicContact CD1-CG 4.49Å; L250-F254 HydrophobicContact CD2-CB 4.44Å; L250-F254 HydrophobicContact CG-CB 4.01Å; L250-A255 HydrophobicContact CD2-CB 4.15Å |
| 251 | P | 84.8 | Confident | 88.4 | Confident | 21 Ų | 21 | 54.8 Ų | 54.8 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 144.1 | 174.4 | -26 | 30.6 | 0 | 0 | 0 | 113 | F189 Y190 P249 M253 F254 A255 | F189-P251 HydrophobicContact CD1-CG 4.19Å; F189-P251 HydrophobicContact CE1-CG 3.41Å; F189-P251 VanDerWaalsContact CE1-CG 3.41Å; F189-P251 HydrophobicContact CE2-CG 3.99Å; F189-P251 HydrophobicContact CZ-CB 4.24Å; F189-P251 HydrophobicContact CZ-CG 3.3Å; Y190-P251 WeakPolarHBondContact OH-CD 3.45Å; P249-P251 WeakPolarHBondContact O-CD 3.44Å; P251-M253 HydrophobicContact CB-CG 4.12Å; P251-M253 PolarHBondContact O-N 2.76Å; P251-M253 VanDerWaalsContact O-N 3.16Å; P251-F254 HydrophobicContact CB-CD2 3.91Å; P251-F254 HydrophobicContact CB-CE2 4.4Å; P251-F254 HydrophobicContact CG-CD2 3.91Å; P251-F254 HydrophobicContact CG-CE2 4.2Å; P251-F254 PolarHBondContact O-N 3.19Å; P251-A255 PolarHBondContact O-N 3.27Å; P251-A255 VanDerWaalsContact O-N 3.11Å |
| 252 | E | 78.8 | Confident | 88 | Confident | 144 Ų | 144 | 52.6 Ų | 52.6 | 67% | 0.673 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -53.8 | -39.6 | -176.6 | -172.4 | -179.9 | -176.5 | 0 | 0 | 112.8 | F254 A255 L256 | E252-F254 PolarHBondContact O-N 3.19Å; E252-F254 VanDerWaalsContact O-N 3.1Å; E252-A255 PolarHBondContact O-N 2.91Å; E252-L256 HydrophobicContact CG-CD1 3.94Å; E252-L256 HydrophobicContact CG-CG 3.96Å; E252-L256 WeakPolarHBondContact O-CG 3.29Å; E252-L256 PolarHBondContact O-N 3.12Å |
| 253 | M | 79.1 | Confident | 87.7 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.5 | -31.2 | 176 | 72.2 | -170.5 | -59.5 | 0 | 0 | 114 | P251 F340 V344 Q347 | P251-M253 HydrophobicContact CB-CG 4.12Å; P251-M253 PolarHBondContact O-N 2.76Å; P251-M253 VanDerWaalsContact O-N 3.16Å; M253-F340 HydrophobicContact CE-CE2 4.06Å; M253-F340 HydrophobicContact CE-CZ 4.11Å; M253-V344 HydrophobicContact CE-CB 4.32Å; M253-V344 HydrophobicContact CE-CG2 3.46Å; M253-V344 VanDerWaalsContact CE-CG2 3.46Å; M253-Q347 PolarHBondContact SD-OE1 3.2Å; M253-Q347 VanDerWaalsContact SD-OE1 3.35Å |
| 254 | F | 86 | Confident | 87.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -93.2 | -22.2 | 176.3 | -59.4 | -59.9 | 0 | 0 | 0 | 112.1 | I182 M186 F189 R217 L250 P251 E252 F340 | I182-F254 HydrophobicContact CD1-CD1 4.09Å; I182-F254 HydrophobicContact CG2-CD1 4.29Å; M186-F254 HydrophobicContact CG-CD1 3.82Å; M186-F254 HydrophobicContact CG-CD2 4.28Å; M186-F254 HydrophobicContact CG-CE1 3.76Å; M186-F254 HydrophobicContact CG-CE2 4.22Å; M186-F254 HydrophobicContact CG-CG 4.09Å; M186-F254 HydrophobicContact CG-CZ 3.97Å; F189-F254 HydrophobicContact CB-CE2 4.01Å; F189-F254 HydrophobicContact CB-CZ 4.03Å; F189-F254 HydrophobicContact CD1-CE2 4.18Å; F189-F254 HydrophobicContact CD2-CE2 4.15Å; F189-F254 AromaticContact CG-CE2 3.85Å; F189-F254 HydrophobicContact CG-CE2 3.85Å; F189-F254 HydrophobicContact CG-CZ 4.33Å; R217-F254 VanDerWaalsContact CD-O 3.23Å; R217-F254 WeakPolarHBondContact CD-O 3.46Å; R217-F254 PolarHBondContact NH1-O 3.09Å; L250-F254 HydrophobicContact CD1-CB 3.73Å; L250-F254 HydrophobicContact CD1-CG 4.49Å; L250-F254 HydrophobicContact CD2-CB 4.44Å; L250-F254 HydrophobicContact CG-CB 4.01Å; P251-F254 HydrophobicContact CB-CD2 3.91Å; P251-F254 HydrophobicContact CB-CE2 4.4Å; P251-F254 HydrophobicContact CG-CD2 3.91Å; P251-F254 HydrophobicContact CG-CE2 4.2Å; P251-F254 PolarHBondContact O-N 3.19Å; E252-F254 PolarHBondContact O-N 3.19Å; E252-F254 VanDerWaalsContact O-N 3.1Å; F254-F340 HydrophobicContact CD1-CZ 4.41Å; F254-F340 HydrophobicContact CE1-CE1 4.34Å; F254-F340 HydrophobicContact CE1-CZ 4.06Å |
| 255 | A | 82.5 | Confident | 87 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -77.9 | -31.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L250 P251 E252 V257 | L250-A255 HydrophobicContact CD2-CB 4.15Å; P251-A255 PolarHBondContact O-N 3.27Å; P251-A255 VanDerWaalsContact O-N 3.11Å; E252-A255 PolarHBondContact O-N 2.91Å; A255-V257 VanDerWaalsContact C-N 3.27Å; A255-V257 PolarHBondContact O-N 3.43Å |
| 256 | L | 77.8 | Confident | 86.7 | Confident | 108 Ų | 108 | 43.7 Ų | 43.7 | 57% | 0.565 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -67.4 | -21.2 | 179.4 | -75.3 | 169.7 | 0 | 0 | 0 | 114.2 | E252 | E252-L256 HydrophobicContact CG-CD1 3.94Å; E252-L256 HydrophobicContact CG-CG 3.96Å; E252-L256 WeakPolarHBondContact O-CG 3.29Å; E252-L256 PolarHBondContact O-N 3.12Å |
| 257 | V | 79.7 | Confident | 85.9 | Confident | 23 Ų | 23 | 38.7 Ų | 38.7 | 14% | 0.139 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -80.3 | 134.4 | 177.9 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | L178 I182 R217 A255 | L178-V257 HydrophobicContact CD1-CG1 4.2Å; L178-V257 HydrophobicContact CD2-CG1 4.01Å; L178-V257 HydrophobicContact CG-CG1 4.21Å; I182-V257 HydrophobicContact CD1-CB 4.46Å; I182-V257 HydrophobicContact CD1-CG2 3.86Å; I182-V257 HydrophobicContact CG1-CG1 4.37Å; R217-V257 PolarHBondContact NH1-O 2.71Å; A255-V257 VanDerWaalsContact C-N 3.27Å; A255-V257 PolarHBondContact O-N 3.43Å |
| 258 | P | 80.4 | Confident | 84.7 | Confident | 61 Ų | 61 | 45.4 Ų | 45.4 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 159.7 | 177.9 | -25 | 33.7 | 0 | 0 | 0 | 113.6 | I144 R217 L260 | I144-P258 HydrophobicContact CD1-CG 3.54Å; I144-P258 HydrophobicContact CG1-CG 4.38Å; R217-P258 PolarHBondContact NH2-O 2.75Å; P258-L260 PolarHBondContact O-N 2.88Å |
| 259 | R | 87.7 | Confident | 83.1 | Confident | 107 Ų | 107 | 45.3 Ų | 45.3 | 40% | 0.404 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -55.6 | 132 | 166 | 66.7 | -178.5 | -178.6 | 170.1 | 3.4 | 109.8 | I234 G303 | I234-R259 HydrophobicContact CB-CB 4.11Å; R259-G303 PolarHBondContact NH2-O 2.9Å |
| 260 | L | 89.3 | Confident | 81.1 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -96.9 | -11.3 | 179.8 | -54.1 | 178.9 | 0 | 0 | 0 | 112.8 | R171 L175 L178 F179 I234 D235 P258 | R171-L260 WeakPolarHBondContact CB-O 3.43Å; R171-L260 WeakPolarHBondContact CG-O 3.48Å; L175-L260 HydrophobicContact CB-CD2 4.49Å; L175-L260 HydrophobicContact CD1-CD2 4.47Å; L178-L260 HydrophobicContact CD2-CD2 3.87Å; L178-L260 HydrophobicContact CG-CD1 4.25Å; L178-L260 HydrophobicContact CG-CD2 4.28Å; F179-L260 VanDerWaalsContact CA-CD1 3.49Å; F179-L260 HydrophobicContact CB-CD1 3.79Å; F179-L260 HydrophobicContact CD2-CD1 4.28Å; I234-L260 PolarHBondContact O-N 3.45Å; D235-L260 HydrophobicContact CB-CB 4.24Å; D235-L260 VanDerWaalsContact OD1-CB 3.26Å; D235-L260 WeakPolarHBondContact OD1-CB 3.23Å; D235-L260 VanDerWaalsContact OD1-CG 3.31Å; D235-L260 WeakPolarHBondContact OD1-CG 3.36Å; D235-L260 PolarHBondContact OD1-N 3.08Å; P258-L260 PolarHBondContact O-N 2.88Å |
| 261 | A | 92.9 | Very high | 78.8 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | trans | -94.1 | 115.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L160 I234 G237 | L160-A261 HydrophobicContact CD1-CB 3.51Å; I234-A261 WeakPolarHBondContact O-CB 3.36Å; I234-A261 PolarHBondContact O-N 2.96Å; I234-A261 VanDerWaalsContact O-N 3.07Å; G237-A261 VanDerWaalsContact N-CB 3.35Å | ||
| 262 | F | 88.5 | Confident | 76.8 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 135.8 | 172 | -68.1 | -100.7 | 0 | 0 | 0 | 109 | F147 I149 H169 V170 F172 L175 L305 | F147-F262 HydrophobicContact CE1-CE2 4.4Å; F147-F262 AromaticContact CE1-CZ 3.91Å; F147-F262 HydrophobicContact CE1-CZ 3.91Å; I149-F262 HydrophobicContact CD1-CE1 4.01Å; H169-F262 VanDerWaalsContact CA-O 3.23Å; H169-F262 WeakPolarHBondContact CA-O 3.09Å; V170-F262 HydrophobicContact CG2-CB 4.29Å; V170-F262 PolarHBondContact N-O 3.47Å; V170-F262 PolarHBondContact O-N 2.93Å; F172-F262 AromaticContact CD2-CD2 3.9Å; F172-F262 HydrophobicContact CD2-CD2 3.9Å; F172-F262 HydrophobicContact CD2-CE2 4.12Å; F172-F262 HydrophobicContact CD2-CG 4.4Å; F172-F262 HydrophobicContact CE2-CB 4.39Å; F172-F262 HydrophobicContact CE2-CD1 4.42Å; F172-F262 AromaticContact CE2-CD2 3.96Å; F172-F262 HydrophobicContact CE2-CD2 3.96Å; F172-F262 HydrophobicContact CE2-CE2 4.41Å; F172-F262 AromaticContact CE2-CG 3.98Å; F172-F262 HydrophobicContact CE2-CG 3.98Å; L175-F262 HydrophobicContact CD1-CE2 3.58Å; L175-F262 HydrophobicContact CD1-CZ 4.23Å; F262-L305 HydrophobicContact CB-CD1 3.99Å; F262-L305 HydrophobicContact CD1-CD1 3.71Å; F262-L305 HydrophobicContact CD1-CG 4.48Å; F262-L305 HydrophobicContact CG-CD1 4.07Å |
| 263 | T | 89.7 | Confident | 75.2 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 10% | 0.104 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 137.2 | 170.9 | -53.8 | 0 | 0 | 0 | 0 | 108.8 | T167 F168 H169 K304 L305 | T167-T263 HydrophobicContact CG2-CG2 4.15Å; F168-T263 CarbonylContact O-C 3.54Å; F168-T263 WeakPolarHBondContact O-CA 3.31Å; H169-T263 PolarHBondContact CD2-OG1 2.91Å; H169-T263 WeakPolarHBondContact NE2-CG2 3.33Å; H169-T263 PolarHBondContact NE2-OG1 2.92Å; T263-K304 HydrophobicContact CG2-CD 4.16Å; T263-K304 HydrophobicContact CG2-CG 3.83Å; T263-K304 CarbonylContact O-C 3.47Å; T263-K304 WeakPolarHBondContact O-CA 3.38Å; T263-L305 PolarHBondContact O-N 2.88Å |
| 264 | C | 87.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 161.4 | -168.2 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | T167 F168 L305 L307 | T167-C264 WeakPolarHBondContact CA-O 3.28Å; F168-C264 HydrophobicContact CD1-CB 4.32Å; F168-C264 HydrophobicContact CD2-CB 3.81Å; F168-C264 HydrophobicContact CE1-CB 4.03Å; F168-C264 HydrophobicContact CE2-CB 3.5Å; F168-C264 VanDerWaalsContact CE2-CB 3.5Å; F168-C264 HydrophobicContact CG-CB 4.22Å; F168-C264 HydrophobicContact CZ-CB 3.61Å; F168-C264 PolarHBondContact N-O 3.43Å; F168-C264 PolarHBondContact O-N 2.82Å; C264-L305 CarbonylContact C-O 3.28Å; C264-L305 WeakPolarHBondContact CA-O 3.34Å; C264-L307 HydrophobicContact CB-CD1 3.9Å; C264-L307 HydrophobicContact CB-CG 4.21Å; C264-L307 VanDerWaalsContact SG-CD1 3.6Å |
| 265 | Y | 85.6 | Confident | 71.8 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 158.4 | 163.8 | 68.1 | -77.4 | 0 | 0 | 0 | 108.9 | P165 A299 Q301 K304 L305 G306 L307 | P165-Y265 CarbonylContact O-C 3.59Å; P165-Y265 VanDerWaalsContact O-CA 3.27Å; P165-Y265 WeakPolarHBondContact O-CA 3.03Å; Y265-A299 WeakPolarHBondContact OH-CB 3.46Å; Y265-Q301 HydrophobicContact CE1-CB 4.22Å; Y265-K304 HydrophobicContact CD1-CB 3.9Å; Y265-K304 HydrophobicContact CD1-CD 4.4Å; Y265-K304 HydrophobicContact CE1-CB 4.34Å; Y265-L305 WeakPolarHBondContact CD1-O 3.34Å; Y265-L305 PolarHBondContact N-O 3.37Å; Y265-G306 VanDerWaalsContact CE1-N 3.29Å; Y265-G306 VanDerWaalsContact CZ-CA 3.49Å; Y265-G306 WeakPolarHBondContact O-CA 3.31Å; Y265-L307 PolarHBondContact O-N 2.85Å |
| 266 | I | 86.1 | Confident | 70.2 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 5% | 0.046 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 125.1 | 173 | -60 | -172.3 | 0 | 0 | 0 | 107.6 | W162 P165 F168 V269 W277 I286 L307 L309 | W162-I266 HydrophobicContact CH2-CD1 4.26Å; P165-I266 HydrophobicContact CB-CB 4.35Å; P165-I266 HydrophobicContact CB-CD1 3.89Å; P165-I266 HydrophobicContact CB-CG1 4.07Å; P165-I266 PolarHBondContact O-N 2.94Å; F168-I266 HydrophobicContact CE1-CG1 3.73Å; F168-I266 HydrophobicContact CZ-CG1 4.12Å; I266-V269 HydrophobicContact CB-CG2 3.56Å; I266-V269 HydrophobicContact CG2-CG2 3.6Å; I266-W277 HydrophobicContact CD1-CB 4.35Å; I266-I286 HydrophobicContact CD1-CD1 4.4Å; I266-L307 CarbonylContact C-O 3.6Å; I266-L307 WeakPolarHBondContact CA-O 3.23Å; I266-L309 HydrophobicContact CD1-CD1 3.94Å; I266-L309 HydrophobicContact CG1-CD1 4.2Å |
| 267 | H | 77 | Confident | 69.2 | Low | 44 Ų | 44 | 67 Ų | 67 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 145.4 | 175.3 | -169.3 | 79.8 | 0 | 0 | 0 | 110 | V269 E298 L307 | H267-V269 PolarHBondContact O-N 2.77Å; H267-E298 HydrophobicContact CB-CB 3.91Å; H267-E298 HydrophobicContact CB-CG 3.84Å; H267-E298 VanDerWaalsContact CD2-CB 3.49Å; H267-E298 WeakPolarHBondContact CD2-CB 3.11Å; H267-L307 PolarHBondContact N-O 3.09Å |
| 268 | Q | 69.7 | Low | 67.8 | Low | 141 Ų | 141 | 69.2 Ų | 69.2 | 66% | 0.659 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 53.1 | 179.7 | -72.6 | 171 | 49.7 | 0 | 0 | 114.5 | T270 | Q268-T270 PolarHBondContact O-N 2.98Š|
| 269 | V | 61.1 | Low | 66.5 | Low | 54 Ų | 54 | 74.8 Ų | 74.8 | 33% | 0.327 | 36% | 0.355 | S | S | . | . | trans | -72.7 | 75 | 163.6 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | P165 W166 I266 H267 | P165-V269 HydrophobicContact CB-CG2 4.37Å; W166-V269 HydrophobicContact CH2-CB 3.82Å; W166-V269 HydrophobicContact CH2-CG2 4.26Å; W166-V269 HydrophobicContact CZ2-CB 4.11Å; W166-V269 HydrophobicContact CZ2-CG1 4.32Å; W166-V269 HydrophobicContact CZ3-CB 4.49Å; W166-V269 HydrophobicContact CZ3-CG2 4.49Å; I266-V269 HydrophobicContact CB-CG2 3.56Å; I266-V269 HydrophobicContact CG2-CG2 3.6Å; H267-V269 PolarHBondContact O-N 2.77Å | ||
| 270 | T | 47.4 | Very low | 64.6 | Low | 70 Ų | 70 | 73.3 Ų | 73.3 | 43% | 0.429 | 37% | 0.366 | S | S | . | . | trans | -75 | 144.9 | 172.2 | 89 | 0 | 0 | 0 | 0 | 109.3 | Q268 R272 D273 | Q268-T270 PolarHBondContact O-N 2.98Å; T270-R272 PolarHBondContact O-N 2.73Å; T270-R272 PolarHBondContact OG1-N 2.77Å; T270-D273 WeakPolarHBondContact CB-OD2 3.23Å; T270-D273 VanDerWaalsContact CG2-OD2 3.27Å; T270-D273 WeakPolarHBondContact CG2-OD2 3.47Å; T270-D273 PolarHBondContact N-OD2 3.42Å; T270-D273 PolarHBondContact O-N 2.71Å; T270-D273 VanDerWaalsContact O-N 3.17Å; T270-D273 PolarHBondContact OG1-N 3.24Å; T270-D273 PolarHBondContact OG1-OD2 2.93Å | ||
| 271 | H | 43.2 | Very low | 63 | Low | 185 Ų | 185 | 83.1 Ų | 83.1 | 86% | 0.856 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 4.9 | -178.9 | -125.5 | -80.6 | 0 | 0 | 0 | 113.9 | ||
| 272 | R | 42.6 | Very low | 61.7 | Low | 235 Ų | 235 | 83.2 Ų | 83.2 | 89% | 0.887 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | -1.4 | 178.4 | -66.4 | -172.2 | 176.4 | -161.1 | -0.5 | 113.4 | T270 N274 | T270-R272 PolarHBondContact O-N 2.73Å; T270-R272 PolarHBondContact OG1-N 2.77Å; R272-N274 PolarHBondContact O-N 3.5Å |
| 273 | D | 45.4 | Very low | 61 | Low | 62 Ų | 62 | 85.8 Ų | 85.8 | 33% | 0.332 | 42% | 0.416 | S | S | . | . | trans | -68.3 | 104.4 | 179.1 | -87.1 | -64.3 | 0 | 0 | 0 | 111.4 | T270 T275 | T270-D273 WeakPolarHBondContact CB-OD2 3.23Å; T270-D273 VanDerWaalsContact CG2-OD2 3.27Å; T270-D273 WeakPolarHBondContact CG2-OD2 3.47Å; T270-D273 PolarHBondContact N-OD2 3.42Å; T270-D273 PolarHBondContact O-N 2.71Å; T270-D273 VanDerWaalsContact O-N 3.17Å; T270-D273 PolarHBondContact OG1-N 3.24Å; T270-D273 PolarHBondContact OG1-OD2 2.93Å; D273-T275 HydrophobicContact CB-CG2 4.07Å; D273-T275 PolarHBondContact O-N 3.26Å | ||
| 274 | N | 43.7 | Very low | 60.4 | Low | 167 Ų | 167 | 89.9 Ų | 89.9 | 89% | 0.893 | 44% | 0.441 | S | S | * | . | trans | -70.9 | 17.2 | 169.8 | -126 | 0.6 | 0 | 0 | 0 | 112.3 | R272 | R272-N274 PolarHBondContact O-N 3.5Š| ||
| 275 | T | 49.2 | Very low | 59.7 | Low | 63 Ų | 63 | 95.4 Ų | 95.4 | 39% | 0.387 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -64.7 | 164.8 | 169.5 | 68.3 | 0 | 0 | 0 | 0 | 110.1 | D273 W277 S278 | D273-T275 HydrophobicContact CB-CG2 4.07Å; D273-T275 PolarHBondContact O-N 3.26Å; T275-W277 PolarHBondContact O-N 2.93Å; T275-S278 PolarHBondContact O-OG 2.94Å; T275-S278 VanDerWaalsContact O-OG 3.08Å |
| 276 | L | 49.9 | Very low | 59.4 | Low | 70 Ų | 70 | 94 Ų | 94 | 37% | 0.366 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -7.1 | 179.6 | -63.3 | 165 | 0 | 0 | 0 | 113.3 | S282 I314 | L276-S282 WeakPolarHBondContact O-CA 3.21Å; L276-S282 VanDerWaalsContact O-CB 3.28Å; L276-S282 WeakPolarHBondContact O-CB 3.34Å; L276-S282 PolarHBondContact O-OG 3.46Å; L276-I314 HydrophobicContact CD1-CD1 4.07Å |
| 277 | W | 55.9 | Low | 59.2 | Low | 34 Ų | 34 | 97 Ų | 97 | 13% | 0.129 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 11 | -169.8 | -45.9 | 136.9 | 0 | 0 | 0 | 114.7 | I266 T275 R279 S282 I286 L293 L309 | I266-W277 HydrophobicContact CD1-CB 4.35Å; T275-W277 PolarHBondContact O-N 2.93Å; W277-R279 VanDerWaalsContact C-N 3.31Å; W277-R279 PolarHBondContact O-N 2.94Å; W277-S282 WeakPolarHBondContact CA-OG 3.48Å; W277-S282 PolarHBondContact O-OG 2.94Å; W277-I286 HydrophobicContact CD2-CD1 4.45Å; W277-I286 HydrophobicContact CE3-CD1 3.73Å; W277-I286 HydrophobicContact CE3-CG1 3.57Å; W277-I286 HydrophobicContact CH2-CG1 4.21Å; W277-I286 HydrophobicContact CZ3-CD1 4.08Å; W277-I286 HydrophobicContact CZ3-CG1 3.37Å; W277-L293 HydrophobicContact CH2-CD2 4.14Å; W277-L309 HydrophobicContact CZ2-CB 3.78Å; W277-L309 WeakPolarHBondContact CZ2-O 3.3Å; W277-L309 PolarHBondContact NE1-O 3.38Å |
| 278 | S | 51.9 | Low | 59.6 | Low | 68 Ų | 68 | 101 Ų | 101 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -64.2 | 72.2 | 170.5 | 41.5 | 0 | 0 | 0 | 0 | 115.6 | T275 A280 S282 | T275-S278 PolarHBondContact O-OG 2.94Å; T275-S278 VanDerWaalsContact O-OG 3.08Å; S278-A280 VanDerWaalsContact C-N 3.3Å; S278-A280 PolarHBondContact O-N 3.07Å; S278-S282 PolarHBondContact N-OG 3.04Å |
| 279 | R | 52.3 | Low | 60.2 | Low | 178 Ų | 178 | 97 Ų | 97 | 67% | 0.672 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | -35.6 | 159.4 | -160.7 | 166.7 | 179.3 | 166.1 | -4.5 | 120.9 | W277 S282 | W277-R279 VanDerWaalsContact C-N 3.31Å; W277-R279 PolarHBondContact O-N 2.94Å; R279-S282 PolarHBondContact N-OG 2.67Å |
| 280 | A | 48.5 | Very low | 61.4 | Low | 77 Ų | 77 | 100.7 Ų | 100.7 | 64% | 0.636 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | -54 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S278 S282 | S278-A280 VanDerWaalsContact C-N 3.3Å; S278-A280 PolarHBondContact O-N 3.07Å; A280-S282 PolarHBondContact O-N 3.05Å; A280-S282 VanDerWaalsContact O-N 3.16Å |
| 281 | R | 55.1 | Low | 63.2 | Low | 208 Ų | 208 | 106.6 Ų | 106.6 | 79% | 0.785 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.5 | -11.7 | 173.8 | -71 | 179.8 | 172.8 | 169.9 | -2.1 | 113.2 | ||
| 282 | S | 65 | Low | 65 | Low | 4 Ų | 4 | 102 Ų | 102 | 3% | 0.028 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -83.8 | -45 | -169.9 | -50.6 | 0 | 0 | 0 | 0 | 112.6 | L276 W277 S278 R279 A280 T284 R285 I286 | L276-S282 WeakPolarHBondContact O-CA 3.21Å; L276-S282 VanDerWaalsContact O-CB 3.28Å; L276-S282 WeakPolarHBondContact O-CB 3.34Å; L276-S282 PolarHBondContact O-OG 3.46Å; W277-S282 WeakPolarHBondContact CA-OG 3.48Å; W277-S282 PolarHBondContact O-OG 2.94Å; S278-S282 PolarHBondContact N-OG 3.04Å; R279-S282 PolarHBondContact N-OG 2.67Å; A280-S282 PolarHBondContact O-N 3.05Å; A280-S282 VanDerWaalsContact O-N 3.16Å; S282-T284 PolarHBondContact O-N 3.02Å; S282-R285 PolarHBondContact O-N 3.46Å; S282-R285 VanDerWaalsContact O-N 3.1Å; S282-I286 WeakPolarHBondContact O-CB 3.33Å; S282-I286 VanDerWaalsContact O-CG1 3.26Å; S282-I286 WeakPolarHBondContact O-CG1 3.32Å; S282-I286 PolarHBondContact O-N 3.37Å |
| 283 | E | 74 | Confident | 67.1 | Low | 86 Ų | 86 | 90.8 Ų | 90.8 | 40% | 0.402 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | -176.6 | 177.1 | 159.2 | -134 | 0 | 0 | 111.4 | W162 R285 I286 L287 | W162-E283 PolarHBondContact NE1-OE1 2.89Å; E283-R285 VanDerWaalsContact C-N 3.27Å; E283-R285 PolarHBondContact O-N 3.15Å; E283-I286 PolarHBondContact O-N 2.83Å; E283-L287 HydrophobicContact CG-CD1 3.72Å; E283-L287 HydrophobicContact CG-CG 4.37Å; E283-L287 WeakPolarHBondContact O-CB 3.18Å; E283-L287 VanDerWaalsContact O-CG 3.26Å; E283-L287 WeakPolarHBondContact O-CG 3.48Å; E283-L287 PolarHBondContact O-N 3.05Å |
| 284 | T | 76.4 | Confident | 69 | Low | 102 Ų | 102 | 88.8 Ų | 88.8 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -55.8 | -41 | 175.6 | -40.9 | 0 | 0 | 0 | 0 | 112.2 | S282 Q288 | S282-T284 PolarHBondContact O-N 3.02Å; T284-Q288 WeakPolarHBondContact O-CB 3.42Å; T284-Q288 PolarHBondContact O-N 3.26Å |
| 285 | R | 73.1 | Confident | 70.8 | Confident | 116 Ų | 116 | 80.9 Ų | 80.9 | 44% | 0.438 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -74.7 | -41.3 | 179.7 | -73.4 | 178.8 | 167.4 | 179.5 | -5.6 | 112.7 | S282 E283 L287 Q288 Y289 | S282-R285 PolarHBondContact O-N 3.46Å; S282-R285 VanDerWaalsContact O-N 3.1Å; E283-R285 VanDerWaalsContact C-N 3.27Å; E283-R285 PolarHBondContact O-N 3.15Å; R285-L287 VanDerWaalsContact C-N 3.32Å; R285-L287 PolarHBondContact O-N 2.78Å; R285-Q288 PolarHBondContact O-N 2.8Å; R285-Y289 WeakPolarHBondContact O-CD2 3.43Å; R285-Y289 PolarHBondContact O-N 3.29Å |
| 286 | I | 80.2 | Confident | 72.1 | Confident | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 174.9 | -73.4 | 173.6 | 0 | 0 | 0 | 110.2 | L159 W162 I266 W277 S282 E283 R290 L293 L309 | L159-I286 HydrophobicContact CD2-CG2 3.42Å; L159-I286 VanDerWaalsContact CD2-CG2 3.42Å; W162-I286 HydrophobicContact CD2-CG2 4.34Å; W162-I286 HydrophobicContact CE3-CG2 3.93Å; W162-I286 HydrophobicContact CH2-CD1 3.46Å; W162-I286 VanDerWaalsContact CH2-CD1 3.46Å; W162-I286 HydrophobicContact CH2-CG2 4.26Å; W162-I286 HydrophobicContact CZ2-CD1 4Å; W162-I286 HydrophobicContact CZ3-CD1 3.98Å; W162-I286 HydrophobicContact CZ3-CG2 3.91Å; I266-I286 HydrophobicContact CD1-CD1 4.4Å; W277-I286 HydrophobicContact CD2-CD1 4.45Å; W277-I286 HydrophobicContact CE3-CD1 3.73Å; W277-I286 HydrophobicContact CE3-CG1 3.57Å; W277-I286 HydrophobicContact CH2-CG1 4.21Å; W277-I286 HydrophobicContact CZ3-CD1 4.08Å; W277-I286 HydrophobicContact CZ3-CG1 3.37Å; S282-I286 WeakPolarHBondContact O-CB 3.33Å; S282-I286 VanDerWaalsContact O-CG1 3.26Å; S282-I286 WeakPolarHBondContact O-CG1 3.32Å; S282-I286 PolarHBondContact O-N 3.37Å; E283-I286 PolarHBondContact O-N 2.83Å; I286-R290 WeakPolarHBondContact O-CA 3.28Å; I286-R290 PolarHBondContact O-N 2.84Å; I286-R290 VanDerWaalsContact O-N 3.16Å; I286-L293 HydrophobicContact CG2-CD1 4.37Å; I286-L309 HydrophobicContact CD1-CD1 4.29Å |
| 287 | L | 82.5 | Confident | 73.3 | Confident | 72 Ų | 72 | 77 Ų | 77 | 38% | 0.377 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.7 | -35.9 | 178.3 | -64.6 | 173.1 | 0 | 0 | 0 | 112.4 | L159 W162 E283 R285 R290 | L159-L287 HydrophobicContact CD2-CD2 4.11Å; W162-L287 HydrophobicContact CB-CD2 4.18Å; W162-L287 HydrophobicContact CG-CD2 4.32Å; E283-L287 HydrophobicContact CG-CD1 3.72Å; E283-L287 HydrophobicContact CG-CG 4.37Å; E283-L287 WeakPolarHBondContact O-CB 3.18Å; E283-L287 VanDerWaalsContact O-CG 3.26Å; E283-L287 WeakPolarHBondContact O-CG 3.48Å; E283-L287 PolarHBondContact O-N 3.05Å; R285-L287 VanDerWaalsContact C-N 3.32Å; R285-L287 PolarHBondContact O-N 2.78Å; L287-R290 WeakPolarHBondContact O-CB 3.3Å; L287-R290 WeakPolarHBondContact O-CD 3.27Å; L287-R290 VanDerWaalsContact O-CG 3.22Å; L287-R290 WeakPolarHBondContact O-CG 3.36Å; L287-R290 PolarHBondContact O-N 3.44Å |
| 288 | Q | 84.2 | Confident | 74.1 | Confident | 126 Ų | 126 | 79.6 Ų | 79.6 | 59% | 0.589 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.1 | -48.6 | 172.9 | 179.7 | 178.2 | 13.8 | 0 | 0 | 111.5 | T284 R285 R290 | T284-Q288 WeakPolarHBondContact O-CB 3.42Å; T284-Q288 PolarHBondContact O-N 3.26Å; R285-Q288 PolarHBondContact O-N 2.8Å; Q288-R290 VanDerWaalsContact C-N 3.33Å; Q288-R290 PolarHBondContact O-N 2.85Å |
| 289 | Y | 82.3 | Confident | 75 | Confident | 59 Ų | 59 | 77.7 Ų | 77.7 | 23% | 0.231 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 16.6 | -178.2 | -61.4 | -64.6 | 0 | 0 | 0 | 114 | R285 R291 E292 L293 H311 | R285-Y289 WeakPolarHBondContact O-CD2 3.43Å; R285-Y289 PolarHBondContact O-N 3.29Å; Y289-R291 PolarHBondContact O-N 3.23Å; Y289-E292 PolarHBondContact O-N 3.19Å; Y289-L293 PolarHBondContact O-N 3Å; Y289-H311 AromaticContact CD1-NE2 3.78Å; Y289-H311 AromaticContact CD2-CD2 3.72Å; Y289-H311 AromaticContact CD2-NE2 3.8Å; Y289-H311 AromaticContact CE1-NE2 3.57Å; Y289-H311 AromaticContact CE2-CD2 3.89Å; Y289-H311 AromaticContact CE2-NE2 3.59Å; Y289-H311 AromaticContact CG-CD2 3.93Å; Y289-H311 AromaticContact CG-NE2 3.91Å; Y289-H311 AromaticContact CZ-NE2 3.47Å |
| 290 | R | 86.4 | Confident | 76 | Confident | 130 Ų | 130 | 76.8 Ų | 76.8 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -14.3 | -171.2 | 67.4 | 178.2 | 176.1 | 156.6 | -4.7 | 117.3 | T158 L159 I286 L287 Q288 | T158-R290 WeakPolarHBondContact CA-O 3.38Å; L159-R290 HydrophobicContact CB-CB 4.01Å; L159-R290 HydrophobicContact CD2-CB 4.17Å; L159-R290 PolarHBondContact N-O 2.76Å; I286-R290 WeakPolarHBondContact O-CA 3.28Å; I286-R290 PolarHBondContact O-N 2.84Å; I286-R290 VanDerWaalsContact O-N 3.16Å; L287-R290 WeakPolarHBondContact O-CB 3.3Å; L287-R290 WeakPolarHBondContact O-CD 3.27Å; L287-R290 VanDerWaalsContact O-CG 3.22Å; L287-R290 WeakPolarHBondContact O-CG 3.36Å; L287-R290 PolarHBondContact O-N 3.44Å; Q288-R290 VanDerWaalsContact C-N 3.33Å; Q288-R290 PolarHBondContact O-N 2.85Å |
| 291 | R | 84.5 | Confident | 76.4 | Confident | 195 Ų | 195 | 79 Ų | 79 | 74% | 0.736 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -7.2 | 175.6 | -69.7 | -176.6 | 178.9 | 173.5 | -0.6 | 114.3 | T158 Y289 | T158-R291 HydrophobicContact CG2-CG 4.44Å; Y289-R291 PolarHBondContact O-N 3.23Å |
| 292 | E | 82.7 | Confident | 77.1 | Confident | 87 Ų | 87 | 75.5 Ų | 75.5 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -0.2 | -176.7 | -44.8 | -178 | -158.1 | 0 | 0 | 112.8 | Y289 P312 K313 | Y289-E292 PolarHBondContact O-N 3.19Å; E292-P312 HydrophobicContact CB-CG 3.81Å; E292-P312 WeakPolarHBondContact O-CB 3.38Å; E292-P312 WeakPolarHBondContact O-CD 3.41Å; E292-P312 WeakPolarHBondContact O-CG 3.32Å; E292-K313 IonicContact OE1-NZ 3.86Å; E292-K313 VanDerWaalsContact OE2-CE 3.28Å; E292-K313 WeakPolarHBondContact OE2-CE 3.18Å; E292-K313 IonicContact OE2-NZ 2.69Å; E292-K313 PolarHBondContact OE2-NZ 2.78Å |
| 293 | L | 85.9 | Confident | 77.5 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | trans | -66 | 137.7 | -178.6 | -73.9 | 172.6 | 0 | 0 | 0 | 112 | I157 L159 W277 I286 Y289 | I157-L293 HydrophobicContact CD1-CB 4.13Å; I157-L293 HydrophobicContact CG1-CB 3.88Å; I157-L293 VanDerWaalsContact CG1-O 3.23Å; I157-L293 WeakPolarHBondContact CG1-O 3.47Å; I157-L293 PolarHBondContact N-O 2.98Å; L159-L293 HydrophobicContact CB-CD1 4.46Å; W277-L293 HydrophobicContact CH2-CD2 4.14Å; I286-L293 HydrophobicContact CG2-CD1 4.37Å; Y289-L293 PolarHBondContact O-N 3Å | ||
| 294 | N | 84.5 | Confident | 77.8 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 11% | 0.107 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 151.5 | 162.1 | -72.2 | -14.5 | 0 | 0 | 0 | 109.5 | Q154 T155 G310 | Q154-N294 HydrophobicContact CB-CB 3.89Å; Q154-N294 HydrophobicContact CG-CB 4.42Å; Q154-N294 PolarHBondContact OE1-ND2 3.44Å; Q154-N294 VanDerWaalsContact OE1-ND2 3.16Å; T155-N294 CarbonylContact O-C 3.53Å; T155-N294 WeakPolarHBondContact O-CA 3.47Å; N294-G310 PolarHBondContact N-O 3.26Å; N294-G310 PolarHBondContact O-N 2.86Å |
| 295 | A | 82.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 135.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T155 I157 L307 T308 L309 | T155-A295 PolarHBondContact N-O 2.84Å; T155-A295 PolarHBondContact O-N 2.72Å; I157-A295 HydrophobicContact CD1-CB 3.8Å; I157-A295 HydrophobicContact CG1-CB 4.02Å; I157-A295 HydrophobicContact CG2-CB 4.04Å; A295-L307 HydrophobicContact CB-CB 4.4Å; A295-L307 HydrophobicContact CB-CD1 4.05Å; A295-L307 HydrophobicContact CB-CD2 4.39Å; A295-T308 WeakPolarHBondContact CA-O 3.34Å; A295-L309 HydrophobicContact CB-CD2 4.12Å |
| 296 | T | 76.2 | Confident | 78.2 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 15% | 0.153 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 139.3 | 161 | -55.6 | 0 | 0 | 0 | 0 | 107.9 | Q154 E298 L307 T308 | Q154-T296 PolarHBondContact N-OG1 2.83Å; Q154-T296 VanDerWaalsContact N-OG1 3.13Å; T296-E298 WeakPolarHBondContact CB-OE1 3.31Å; T296-E298 WeakPolarHBondContact CG2-OE1 3.08Å; T296-L307 VanDerWaalsContact O-CA 3.32Å; T296-L307 WeakPolarHBondContact O-CA 3.38Å; T296-T308 PolarHBondContact N-O 2.77Å; T296-T308 PolarHBondContact O-N 2.96Å |
| 297 | V | 75.1 | Confident | 78.4 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 111.3 | 176.1 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | I149 F172 L305 L307 | I149-V297 HydrophobicContact CG2-CB 4.06Å; I149-V297 HydrophobicContact CG2-CG1 3.95Å; I149-V297 HydrophobicContact CG2-CG2 3.78Å; F172-V297 HydrophobicContact CE1-CG2 4.16Å; F172-V297 HydrophobicContact CZ-CG2 4.01Å; V297-L305 HydrophobicContact CG1-CB 4.46Å; V297-L305 HydrophobicContact CG1-CD2 3.97Å; V297-L307 HydrophobicContact CB-CD2 4.3Å; V297-L307 HydrophobicContact CG1-CD2 4.49Å; V297-L307 HydrophobicContact CG2-CD2 3.69Å |
| 298 | E | 72.6 | Confident | 78.4 | Confident | 88 Ų | 88 | 64.6 Ų | 64.6 | 41% | 0.411 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -25 | -174.8 | -46.3 | -62.7 | 172.7 | 0 | 0 | 112.6 | H267 T296 G306 T308 | H267-E298 HydrophobicContact CB-CB 3.91Å; H267-E298 HydrophobicContact CB-CG 3.84Å; H267-E298 VanDerWaalsContact CD2-CB 3.49Å; H267-E298 WeakPolarHBondContact CD2-CB 3.11Å; T296-E298 WeakPolarHBondContact CB-OE1 3.31Å; T296-E298 WeakPolarHBondContact CG2-OE1 3.08Å; E298-G306 PolarHBondContact N-O 2.94Å; E298-T308 VanDerWaalsContact CD-OG1 3.26Å; E298-T308 WeakPolarHBondContact CG-OG1 3.04Å; E298-T308 WeakPolarHBondContact OE1-CB 3.4Å; E298-T308 PolarHBondContact OE1-OG1 3.09Å |
| 299 | A | 71.9 | Confident | 78.4 | Confident | 28 Ų | 28 | 59 Ų | 59 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 166.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y265 G306 | Y265-A299 WeakPolarHBondContact OH-CB 3.46Å; A299-G306 PolarHBondContact N-O 3.07Å; A299-G306 PolarHBondContact O-N 3.35Å |
| 300 | Y | 72.1 | Confident | 78.1 | Confident | 160 Ų | 160 | 57 Ų | 57 | 63% | 0.627 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 128.8 | 169.1 | 177.1 | -109.7 | 0 | 0 | 0 | 109.8 | K304 L305 | Y300-K304 WeakPolarHBondContact CA-O 3.3Å; Y300-K304 WeakPolarHBondContact CD2-O 3.5Å; Y300-L305 HydrophobicContact CD2-CD2 4Å |
| 301 | Q | 57.9 | Low | 77.3 | Confident | 122 Ų | 122 | 52.4 Ų | 52.4 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 131.4 | -178.5 | -163.2 | -178.1 | 19.9 | 0 | 0 | 110.5 | Y265 G303 K304 | Y265-Q301 HydrophobicContact CE1-CB 4.22Å; Q301-G303 PolarHBondContact O-N 3.1Å; Q301-G303 VanDerWaalsContact O-N 3.1Å; Q301-K304 PolarHBondContact N-O 3.11Å; Q301-K304 WeakPolarHBondContact O-CA 3.32Å; Q301-K304 WeakPolarHBondContact O-CB 3.47Å; Q301-K304 PolarHBondContact O-N 2.85Å |
| 302 | T | 70.3 | Confident | 76.1 | Confident | 136 Ų | 136 | 45.3 Ų | 45.3 | 83% | 0.834 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 42.2 | 173.1 | -39.6 | 0 | 0 | 0 | 0 | 113.9 | K304 | T302-K304 VanDerWaalsContact C-N 3.31Å; T302-K304 PolarHBondContact O-N 3.16Å |
| 303 | G | 73.4 | Confident | 75 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 26% | 0.258 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 4.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | R259 Q301 | R259-G303 PolarHBondContact NH2-O 2.9Å; Q301-G303 PolarHBondContact O-N 3.1Å; Q301-G303 VanDerWaalsContact O-N 3.1Å |
| 304 | K | 78.6 | Confident | 73.4 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 147.1 | 177.7 | -55 | -175.5 | 172.1 | 178.6 | 0 | 112.6 | W166 T167 T263 Y265 Y300 Q301 T302 | W166-K304 PolarHBondContact O-NZ 3.36Å; T167-K304 PolarHBondContact OG1-NZ 2.89Å; T263-K304 HydrophobicContact CG2-CD 4.16Å; T263-K304 HydrophobicContact CG2-CG 3.83Å; T263-K304 CarbonylContact O-C 3.47Å; T263-K304 WeakPolarHBondContact O-CA 3.38Å; Y265-K304 HydrophobicContact CD1-CB 3.9Å; Y265-K304 HydrophobicContact CD1-CD 4.4Å; Y265-K304 HydrophobicContact CE1-CB 4.34Å; Y300-K304 WeakPolarHBondContact CA-O 3.3Å; Y300-K304 WeakPolarHBondContact CD2-O 3.5Å; Q301-K304 PolarHBondContact N-O 3.11Å; Q301-K304 WeakPolarHBondContact O-CA 3.32Å; Q301-K304 WeakPolarHBondContact O-CB 3.47Å; Q301-K304 PolarHBondContact O-N 2.85Å; T302-K304 VanDerWaalsContact C-N 3.31Å; T302-K304 PolarHBondContact O-N 3.16Å |
| 305 | L | 79.1 | Confident | 71.2 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 132.9 | 168.5 | -60.4 | 171.7 | 0 | 0 | 0 | 110.9 | F172 F262 T263 C264 Y265 V297 Y300 L307 | F172-L305 HydrophobicContact CE2-CD1 3.78Å; F172-L305 HydrophobicContact CZ-CD1 3.8Å; F262-L305 HydrophobicContact CB-CD1 3.99Å; F262-L305 HydrophobicContact CD1-CD1 3.71Å; F262-L305 HydrophobicContact CD1-CG 4.48Å; F262-L305 HydrophobicContact CG-CD1 4.07Å; T263-L305 PolarHBondContact O-N 2.88Å; C264-L305 CarbonylContact C-O 3.28Å; C264-L305 WeakPolarHBondContact CA-O 3.34Å; Y265-L305 WeakPolarHBondContact CD1-O 3.34Å; Y265-L305 PolarHBondContact N-O 3.37Å; V297-L305 HydrophobicContact CG1-CB 4.46Å; V297-L305 HydrophobicContact CG1-CD2 3.97Å; Y300-L305 HydrophobicContact CD2-CD2 4Å; L305-L307 HydrophobicContact CB-CD2 3.97Å; L305-L307 HydrophobicContact CB-CG 4.5Å |
| 306 | G | 80 | Confident | 69.2 | Low | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 120.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y265 E298 A299 | Y265-G306 VanDerWaalsContact CE1-N 3.29Å; Y265-G306 VanDerWaalsContact CZ-CA 3.49Å; Y265-G306 WeakPolarHBondContact O-CA 3.31Å; E298-G306 PolarHBondContact N-O 2.94Å; A299-G306 PolarHBondContact N-O 3.07Å; A299-G306 PolarHBondContact O-N 3.35Å |
| 307 | L | 83.2 | Confident | 67.4 | Low | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 134.5 | -173.4 | -56.6 | -174.1 | 0 | 0 | 0 | 112.5 | F168 V170 C264 Y265 I266 H267 A295 T296 V297 L305 L309 | F168-L307 HydrophobicContact CE2-CD1 3.96Å; F168-L307 HydrophobicContact CZ-CD1 4.1Å; V170-L307 HydrophobicContact CG1-CD1 4.21Å; V170-L307 HydrophobicContact CG2-CD1 4.29Å; C264-L307 HydrophobicContact CB-CD1 3.9Å; C264-L307 HydrophobicContact CB-CG 4.21Å; C264-L307 VanDerWaalsContact SG-CD1 3.6Å; Y265-L307 PolarHBondContact O-N 2.85Å; I266-L307 CarbonylContact C-O 3.6Å; I266-L307 WeakPolarHBondContact CA-O 3.23Å; H267-L307 PolarHBondContact N-O 3.09Å; A295-L307 HydrophobicContact CB-CB 4.4Å; A295-L307 HydrophobicContact CB-CD1 4.05Å; A295-L307 HydrophobicContact CB-CD2 4.39Å; T296-L307 VanDerWaalsContact O-CA 3.32Å; T296-L307 WeakPolarHBondContact O-CA 3.38Å; V297-L307 HydrophobicContact CB-CD2 4.3Å; V297-L307 HydrophobicContact CG1-CD2 4.49Å; V297-L307 HydrophobicContact CG2-CD2 3.69Å; L305-L307 HydrophobicContact CB-CD2 3.97Å; L305-L307 HydrophobicContact CB-CG 4.5Å; L307-L309 HydrophobicContact CB-CD2 4.2Å; L307-L309 HydrophobicContact CD1-CD2 4.31Å |
| 308 | T | 82.9 | Confident | 65.8 | Low | 59 Ų | 59 | 76.9 Ų | 76.9 | 36% | 0.362 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 119.9 | 156.3 | -59.8 | 0 | 0 | 0 | 0 | 108.3 | A295 T296 E298 | A295-T308 WeakPolarHBondContact CA-O 3.34Å; T296-T308 PolarHBondContact N-O 2.77Å; T296-T308 PolarHBondContact O-N 2.96Å; E298-T308 VanDerWaalsContact CD-OG1 3.26Å; E298-T308 WeakPolarHBondContact CG-OG1 3.04Å; E298-T308 WeakPolarHBondContact OE1-CB 3.4Å; E298-T308 PolarHBondContact OE1-OG1 3.09Å |
| 309 | L | 84 | Confident | 64.2 | Low | 8 Ų | 8 | 75.1 Ų | 75.1 | 4% | 0.042 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 124.5 | 177.8 | -60 | -178.3 | 0 | 0 | 0 | 110.8 | I157 F168 I266 W277 I286 A295 L307 | I157-L309 HydrophobicContact CD1-CD2 3.95Å; F168-L309 HydrophobicContact CZ-CD1 4.44Å; I266-L309 HydrophobicContact CD1-CD1 3.94Å; I266-L309 HydrophobicContact CG1-CD1 4.2Å; W277-L309 HydrophobicContact CZ2-CB 3.78Å; W277-L309 WeakPolarHBondContact CZ2-O 3.3Å; W277-L309 PolarHBondContact NE1-O 3.38Å; I286-L309 HydrophobicContact CD1-CD1 4.29Å; A295-L309 HydrophobicContact CB-CD2 4.12Å; L307-L309 HydrophobicContact CB-CD2 4.2Å; L307-L309 HydrophobicContact CD1-CD2 4.31Å |
| 310 | G | 76.9 | Confident | 62.6 | Low | 18 Ų | 18 | 77.5 Ų | 77.5 | 19% | 0.186 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 141.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N294 | N294-G310 PolarHBondContact N-O 3.26Å; N294-G310 PolarHBondContact O-N 2.86Å |
| 311 | H | 69.5 | Low | 61.1 | Low | 33 Ų | 33 | 74.7 Ų | 74.7 | 15% | 0.153 | 42% | 0.415 | C | S | . | . | trans | -86.9 | 130.5 | 171.7 | -178.7 | -97.9 | 0 | 0 | 0 | 109.8 | Y289 K313 I314 | Y289-H311 AromaticContact CD1-NE2 3.78Å; Y289-H311 AromaticContact CD2-CD2 3.72Å; Y289-H311 AromaticContact CD2-NE2 3.8Å; Y289-H311 AromaticContact CE1-NE2 3.57Å; Y289-H311 AromaticContact CE2-CD2 3.89Å; Y289-H311 AromaticContact CE2-NE2 3.59Å; Y289-H311 AromaticContact CG-CD2 3.93Å; Y289-H311 AromaticContact CG-NE2 3.91Å; Y289-H311 AromaticContact CZ-NE2 3.47Å; H311-K313 PolarHBondContact ND1-N 3.27Å; H311-K313 PolarHBondContact O-N 2.99Å; H311-I314 HydrophobicContact CB-CD1 3.9Å; H311-I314 HydrophobicContact CB-CG1 4.01Å; H311-I314 PolarHBondContact O-N 3.03Å | ||
| 312 | P | 60.1 | Low | 60.1 | Low | 46 Ų | 46 | 75.9 Ų | 75.9 | 30% | 0.299 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.4 | -169.2 | 26.9 | -40.3 | 0 | 0 | 0 | 114.8 | E292 | E292-P312 HydrophobicContact CB-CG 3.81Å; E292-P312 WeakPolarHBondContact O-CB 3.38Å; E292-P312 WeakPolarHBondContact O-CD 3.41Å; E292-P312 WeakPolarHBondContact O-CG 3.32Å |
| 313 | K | 58.6 | Low | 58.6 | Low | 139 Ų | 139 | 77.2 Ų | 77.2 | 60% | 0.604 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 17.2 | -173.7 | -56.3 | 162.1 | -165.8 | 162.1 | 0 | 113 | E292 H311 | E292-K313 IonicContact OE1-NZ 3.86Å; E292-K313 VanDerWaalsContact OE2-CE 3.28Å; E292-K313 WeakPolarHBondContact OE2-CE 3.18Å; E292-K313 IonicContact OE2-NZ 2.69Å; E292-K313 PolarHBondContact OE2-NZ 2.78Å; H311-K313 PolarHBondContact ND1-N 3.27Å; H311-K313 PolarHBondContact O-N 2.99Å |
| 314 | I | 52.5 | Low | 56.9 | Low | 119 Ų | 119 | 84.7 Ų | 84.7 | 61% | 0.61 | 44% | 0.444 | S | S | * | . | trans | -107.8 | 40.4 | 171.3 | -42.6 | -179.4 | 0 | 0 | 0 | 110.4 | L276 H311 | L276-I314 HydrophobicContact CD1-CD1 4.07Å; H311-I314 HydrophobicContact CB-CD1 3.9Å; H311-I314 HydrophobicContact CB-CG1 4.01Å; H311-I314 PolarHBondContact O-N 3.03Å | ||
| 315 | G | 38.7 | Very low | 54.7 | Low | 66 Ų | 66 | 87.6 Ų | 87.6 | 68% | 0.68 | 47% | 0.47 | S | S | * | . | trans | -86.1 | 119.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | D317 | G315-D317 PolarHBondContact O-N 3.14Å; G315-D317 VanDerWaalsContact O-N 3.12Å | ||
| 316 | R | 40.4 | Very low | 52.5 | Low | 239 Ų | 239 | 90.9 Ų | 90.9 | 90% | 0.902 | 49% | 0.494 | S | S | * | . | trans | -70 | 99.2 | 162.4 | -80.3 | -178.7 | 173.5 | 175.1 | -2.3 | 108.1 | D318 | R316-D318 PolarHBondContact O-N 3.21Š| ||
| 317 | D | 38.2 | Very low | 50.5 | Low | 144 Ų | 144 | 96.4 Ų | 96.4 | 77% | 0.77 | 54% | 0.54 | S | S | * | . | S | Bend | trans | 40.8 | 13.7 | 163.8 | -133.9 | -10.5 | 0 | 0 | 0 | 121 | G315 S319 | G315-D317 PolarHBondContact O-N 3.14Å; G315-D317 VanDerWaalsContact O-N 3.12Å; D317-S319 PolarHBondContact O-N 3.35Å |
| 318 | D | 40.7 | Very low | 48.2 | Very low | 116 Ų | 116 | 104.6 Ų | 104.6 | 62% | 0.62 | 58% | 0.578 | S | S | * | * | trans | -71.8 | 42.1 | 166.4 | -81.8 | -43 | 0 | 0 | 0 | 111.7 | R316 S320 V321 | R316-D318 PolarHBondContact O-N 3.21Å; D318-S320 PolarHBondContact O-N 3.23Å; D318-V321 HydrophobicContact CB-CG2 4.45Å; D318-V321 PolarHBondContact O-N 2.88Å; D318-V321 VanDerWaalsContact O-N 3.14Å | ||
| 319 | S | 39.2 | Very low | 45.8 | Very low | 51 Ų | 51 | 108 Ų | 108 | 36% | 0.357 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.1 | -4.9 | 174.3 | 72.9 | 0 | 0 | 0 | 0 | 112.8 | D317 K323 | D317-S319 PolarHBondContact O-N 3.35Å; S319-K323 WeakPolarHBondContact O-CB 3.35Å; S319-K323 VanDerWaalsContact O-CD 3.23Å; S319-K323 WeakPolarHBondContact O-CD 3.46Å; S319-K323 WeakPolarHBondContact O-CG 3.48Å |
| 320 | S | 38.9 | Very low | 43.6 | Very low | 79 Ų | 79 | 113.4 Ų | 113.4 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.6 | -32.3 | 170.8 | 57.5 | 0 | 0 | 0 | 0 | 114 | D318 | D318-S320 PolarHBondContact O-N 3.23Å |
| 321 | V | 39.3 | Very low | 41.7 | Very low | 101 Ų | 101 | 117.4 Ų | 117.4 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -84.8 | -52.5 | -171.9 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | D318 | D318-V321 HydrophobicContact CB-CG2 4.45Å; D318-V321 PolarHBondContact O-N 2.88Å; D318-V321 VanDerWaalsContact O-N 3.14Å |
| 322 | L | 37.7 | Very low | 40.2 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 76% | 0.764 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -79.3 | -17.3 | -174.6 | -71.1 | 170.4 | 0 | 0 | 0 | 114.3 | K324 | L322-K324 PolarHBondContact O-N 3.33Å |
| 323 | K | 37.7 | Very low | 38.9 | Very low | 165 Ų | 165 | 122.5 Ų | 122.5 | 72% | 0.717 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -2.7 | 174 | -74.4 | -178.4 | -173.9 | 160 | 0 | 114.3 | S319 | S319-K323 WeakPolarHBondContact O-CB 3.35Å; S319-K323 VanDerWaalsContact O-CD 3.23Å; S319-K323 WeakPolarHBondContact O-CD 3.46Å; S319-K323 WeakPolarHBondContact O-CG 3.48Å |
| 324 | K | 38.1 | Very low | 37.6 | Very low | 182 Ų | 182 | 123.4 Ų | 123.4 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -3 | 180 | -92.7 | -176.9 | 174.4 | 178.5 | 0 | 116 | L322 S326 | L322-K324 PolarHBondContact O-N 3.33Å; K324-S326 PolarHBondContact O-N 2.61Å |
| 325 | C | 33.2 | Very low | 36.8 | Very low | 117 Ų | 117 | 122 Ų | 122 | 79% | 0.791 | 66% | 0.656 | S | S | * | * | trans | -77.2 | 69.9 | 162.9 | -71.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 326 | S | 32.9 | Very low | 37 | Very low | 81 Ų | 81 | 121.4 Ų | 121.4 | 57% | 0.566 | 64% | 0.637 | S | S | * | * | trans | -63.7 | 154.7 | 174.7 | 61.4 | 0 | 0 | 0 | 0 | 111.4 | K324 Q328 | K324-S326 PolarHBondContact O-N 2.61Å; S326-Q328 PolarHBondContact O-N 3.08Å | ||
| 327 | A | 38.5 | Very low | 37.1 | Very low | 116 Ų | 116 | 114.6 Ų | 114.6 | 96% | 0.959 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -75.7 | 40.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 328 | Q | 34.1 | Very low | 37.7 | Very low | 171 Ų | 171 | 113.3 Ų | 113.3 | 80% | 0.799 | 60% | 0.596 | S | S | * | * | trans | -124.9 | 22.2 | -164.6 | -143 | 164.4 | 3.3 | 0 | 0 | 114.2 | S326 | S326-Q328 PolarHBondContact O-N 3.08Š| ||
| 329 | M | 32.5 | Very low | 38.5 | Very low | 130 Ų | 130 | 111.4 Ų | 111.4 | 64% | 0.64 | 58% | 0.584 | S | S | * | * | trans | -132.2 | 120.1 | 177.7 | -77 | 163.7 | 62.9 | 0 | 0 | 110.3 | ||||
| 330 | Y | 38.6 | Very low | 39.2 | Very low | 122 Ų | 122 | 109.6 Ų | 109.6 | 48% | 0.478 | 57% | 0.57 | S | S | . | * | cis | -151.6 | 152 | -1.9 | -73.3 | -83.7 | 0 | 0 | 0 | 109.1 | R332 | Y330-R332 VanDerWaalsContact C-N 3.25Å; Y330-R332 PolarHBondContact O-N 3.14Å | ||
| 331 | P | 37.1 | Very low | 40 | Very low | 102 Ų | 102 | 107 Ų | 107 | 66% | 0.662 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -34.9 | 167 | -23.3 | 33.9 | 0 | 0 | 0 | 113.3 | G333 Q334 | P331-G333 PolarHBondContact O-N 3.24Å; P331-Q334 PolarHBondContact O-N 3.39Å; P331-Q334 VanDerWaalsContact O-N 3.1Å |
| 332 | R | 37.4 | Very low | 41.1 | Very low | 153 Ų | 153 | 105.4 Ų | 105.4 | 58% | 0.577 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55.3 | -19.4 | -176.1 | -73 | -178.2 | 172.3 | 166.6 | -3.2 | 114.9 | Y330 | Y330-R332 VanDerWaalsContact C-N 3.25Å; Y330-R332 PolarHBondContact O-N 3.14Å |
| 333 | G | 31.7 | Very low | 42.1 | Very low | 33 Ų | 33 | 101 Ų | 101 | 34% | 0.34 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.7 | -32 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P331 | P331-G333 PolarHBondContact O-N 3.24Å |
| 334 | Q | 33.1 | Very low | 42.8 | Very low | 158 Ų | 158 | 93.2 Ų | 93.2 | 74% | 0.738 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -75 | -32.5 | -179.3 | -68.5 | 177.6 | -11.5 | 0 | 0 | 111.9 | P331 Y337 R338 | P331-Q334 PolarHBondContact O-N 3.39Å; P331-Q334 VanDerWaalsContact O-N 3.1Å; Q334-Y337 PolarHBondContact O-N 3.09Å; Q334-R338 PolarHBondContact O-N 3.26Å |
| 335 | I | 34 | Very low | 43.8 | Very low | 89 Ų | 89 | 88.1 Ų | 88.1 | 46% | 0.456 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.2 | -49.8 | 178.3 | -55.4 | 178.3 | 0 | 0 | 0 | 110.3 | Y337 R338 E339 | I335-Y337 VanDerWaalsContact C-N 3.27Å; I335-Y337 PolarHBondContact O-N 3.42Å; I335-R338 PolarHBondContact O-N 3.38Å; I335-E339 HydrophobicContact CG2-CG 4.4Å; I335-E339 WeakPolarHBondContact CG2-OE1 3.28Å; I335-E339 WeakPolarHBondContact O-CB 3.35Å; I335-E339 PolarHBondContact O-N 3.33Å |
| 336 | L | 43.3 | Very low | 45.4 | Very low | 55 Ų | 55 | 89.4 Ų | 89.4 | 29% | 0.288 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.8 | -32.2 | -178.2 | -47.8 | -175.7 | 0 | 0 | 0 | 112.7 | L139 F340 | L139-L336 HydrophobicContact CD1-CB 4.15Å; L139-L336 HydrophobicContact CD1-CD2 3.94Å; L139-L336 HydrophobicContact CG-CB 4.27Å; L139-L336 HydrophobicContact CG-CD1 4.29Å; L139-L336 HydrophobicContact CG-CD2 3.99Å; L139-L336 HydrophobicContact CG-CG 4.38Å; L336-F340 WeakPolarHBondContact O-CB 3.21Å; L336-F340 PolarHBondContact O-N 2.82Å; L336-F340 VanDerWaalsContact O-N 3.12Å |
| 337 | Y | 43.6 | Very low | 46.5 | Very low | 95 Ų | 95 | 89.3 Ų | 89.3 | 37% | 0.373 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.4 | -49.6 | 174.4 | -178.5 | -120.3 | 0 | 0 | 0 | 111.2 | V181 Q334 I335 E339 F340 L341 | V181-Y337 HydrophobicContact CB-CD2 4.19Å; V181-Y337 HydrophobicContact CG1-CD2 4.07Å; V181-Y337 HydrophobicContact CG2-CD2 3.56Å; V181-Y337 HydrophobicContact CG2-CE2 4.19Å; V181-Y337 HydrophobicContact CG2-CG 4.49Å; Q334-Y337 PolarHBondContact O-N 3.09Å; I335-Y337 VanDerWaalsContact C-N 3.27Å; I335-Y337 PolarHBondContact O-N 3.42Å; Y337-E339 PolarHBondContact O-N 3.29Å; Y337-F340 PolarHBondContact O-N 2.85Å; Y337-L341 HydrophobicContact CD1-CD1 4.12Å; Y337-L341 HydrophobicContact CD2-CG 4.42Å; Y337-L341 HydrophobicContact CE1-CD1 3.61Å; Y337-L341 HydrophobicContact CE1-CG 4.47Å; Y337-L341 HydrophobicContact CE2-CD1 4.08Å; Y337-L341 HydrophobicContact CE2-CD2 4.36Å; Y337-L341 HydrophobicContact CE2-CG 4.16Å; Y337-L341 WeakPolarHBondContact O-CG 3.07Å; Y337-L341 PolarHBondContact O-N 3.41Å |
| 338 | R | 51 | Low | 47.2 | Very low | 117 Ų | 117 | 84.8 Ų | 84.8 | 44% | 0.442 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 178.2 | -164.4 | 176.2 | -174.4 | -170.9 | 0.3 | 111.7 | Q334 I335 N342 | Q334-R338 PolarHBondContact O-N 3.26Å; I335-R338 PolarHBondContact O-N 3.38Å; R338-N342 VanDerWaalsContact O-CB 3.27Å; R338-N342 WeakPolarHBondContact O-CB 3.33Å; R338-N342 PolarHBondContact O-N 2.94Å; R338-N342 PolarHBondContact O-ND2 2.98Å; R338-N342 PolarHBondContact O-OD1 3.46Å |
| 339 | E | 57.4 | Low | 48.8 | Very low | 77 Ų | 77 | 81.6 Ų | 81.6 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 174.5 | -79.5 | -174.5 | -149.6 | 0 | 0 | 113.7 | I335 Y337 K343 | I335-E339 HydrophobicContact CG2-CG 4.4Å; I335-E339 WeakPolarHBondContact CG2-OE1 3.28Å; I335-E339 WeakPolarHBondContact O-CB 3.35Å; I335-E339 PolarHBondContact O-N 3.33Å; Y337-E339 PolarHBondContact O-N 3.29Å; E339-K343 WeakPolarHBondContact O-CD 3.48Å; E339-K343 VanDerWaalsContact O-CG 3.28Å; E339-K343 WeakPolarHBondContact O-CG 3.38Å; E339-K343 PolarHBondContact O-N 3.46Å |
| 340 | F | 52.8 | Low | 50 | Low | 13 Ų | 13 | 81.4 Ų | 81.4 | 6% | 0.057 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.9 | -44.6 | 177.7 | -172.3 | -111.5 | 0 | 0 | 0 | 111.3 | P135 V181 I182 S185 M253 F254 L336 Y337 K343 V344 | P135-F340 HydrophobicContact CG-CD2 4.35Å; P135-F340 HydrophobicContact CG-CE2 4.4Å; V181-F340 HydrophobicContact CG1-CB 4.25Å; V181-F340 HydrophobicContact CG1-CD1 3.3Å; V181-F340 HydrophobicContact CG1-CE1 3.84Å; V181-F340 HydrophobicContact CG1-CG 4.01Å; I182-F340 HydrophobicContact CD1-CE1 3.9Å; I182-F340 HydrophobicContact CD1-CZ 3.67Å; S185-F340 VanDerWaalsContact CB-CE1 3.48Å; S185-F340 VanDerWaalsContact OG-CD1 3.3Å; S185-F340 WeakPolarHBondContact OG-CD1 3.23Å; S185-F340 WeakPolarHBondContact OG-CE1 3.44Å; M253-F340 HydrophobicContact CE-CE2 4.06Å; M253-F340 HydrophobicContact CE-CZ 4.11Å; F254-F340 HydrophobicContact CD1-CZ 4.41Å; F254-F340 HydrophobicContact CE1-CE1 4.34Å; F254-F340 HydrophobicContact CE1-CZ 4.06Å; L336-F340 WeakPolarHBondContact O-CB 3.21Å; L336-F340 PolarHBondContact O-N 2.82Å; L336-F340 VanDerWaalsContact O-N 3.12Å; Y337-F340 PolarHBondContact O-N 2.85Å; F340-K343 WeakPolarHBondContact O-CB 3.35Å; F340-K343 PolarHBondContact O-N 2.91Å; F340-V344 HydrophobicContact CD1-CG2 4.16Å; F340-V344 HydrophobicContact CE1-CG2 4.02Å; F340-V344 HydrophobicContact CZ-CG2 4.29Å; F340-V344 VanDerWaalsContact O-CG2 3.32Å; F340-V344 WeakPolarHBondContact O-CG2 3.2Å; F340-V344 PolarHBondContact O-N 3.42Å |
| 341 | L | 55.1 | Low | 50.5 | Low | 23 Ų | 23 | 78.1 Ų | 78.1 | 12% | 0.12 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.7 | -49.7 | 172.9 | -70.8 | -175.7 | 0 | 0 | 0 | 111.5 | M188 Y337 K343 V344 E345 | M188-L341 HydrophobicContact CE-CD2 4.3Å; M188-L341 HydrophobicContact SD-CD2 3.71Å; Y337-L341 HydrophobicContact CD1-CD1 4.12Å; Y337-L341 HydrophobicContact CD2-CG 4.42Å; Y337-L341 HydrophobicContact CE1-CD1 3.61Å; Y337-L341 HydrophobicContact CE1-CG 4.47Å; Y337-L341 HydrophobicContact CE2-CD1 4.08Å; Y337-L341 HydrophobicContact CE2-CD2 4.36Å; Y337-L341 HydrophobicContact CE2-CG 4.16Å; Y337-L341 WeakPolarHBondContact O-CG 3.07Å; Y337-L341 PolarHBondContact O-N 3.41Å; L341-K343 PolarHBondContact O-N 2.99Å; L341-V344 WeakPolarHBondContact O-CB 3.3Å; L341-V344 PolarHBondContact O-N 2.93Å; L341-E345 WeakPolarHBondContact O-CB 3.25Å; L341-E345 VanDerWaalsContact O-CG 3.3Å; L341-E345 WeakPolarHBondContact O-CG 3.27Å; L341-E345 PolarHBondContact O-N 3.14Å |
| 342 | N | 62.7 | Low | 51.4 | Low | 69 Ų | 69 | 81.3 Ų | 81.3 | 37% | 0.369 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.6 | -26 | 175.7 | -70.5 | -2.3 | 0 | 0 | 0 | 113.3 | R338 K346 | R338-N342 VanDerWaalsContact O-CB 3.27Å; R338-N342 WeakPolarHBondContact O-CB 3.33Å; R338-N342 PolarHBondContact O-N 2.94Å; R338-N342 PolarHBondContact O-ND2 2.98Å; R338-N342 PolarHBondContact O-OD1 3.46Å; N342-K346 WeakPolarHBondContact O-CB 3.48Å; N342-K346 WeakPolarHBondContact O-CD 3.21Å; N342-K346 WeakPolarHBondContact O-CG 3.42Å; N342-K346 PolarHBondContact O-N 3.08Å |
| 343 | K | 59.7 | Low | 52.9 | Low | 54 Ų | 54 | 79.9 Ų | 79.9 | 24% | 0.235 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -84.3 | -40.3 | 176.3 | -72.8 | 167.2 | -171.8 | 178.4 | 0 | 111.8 | Y133 L134 E339 F340 L341 Q347 | Y133-K343 WeakPolarHBondContact O-CD 3.3Å; Y133-K343 WeakPolarHBondContact O-CE 3.4Å; Y133-K343 PolarHBondContact O-NZ 3.32Å; L134-K343 PolarHBondContact O-NZ 3.14Å; E339-K343 WeakPolarHBondContact O-CD 3.48Å; E339-K343 VanDerWaalsContact O-CG 3.28Å; E339-K343 WeakPolarHBondContact O-CG 3.38Å; E339-K343 PolarHBondContact O-N 3.46Å; F340-K343 WeakPolarHBondContact O-CB 3.35Å; F340-K343 PolarHBondContact O-N 2.91Å; L341-K343 PolarHBondContact O-N 2.99Å; K343-Q347 WeakPolarHBondContact O-CB 3.07Å; K343-Q347 PolarHBondContact O-N 3.49Å |
| 344 | V | 51.3 | Low | 53.9 | Low | 1 Ų | 1 | 81.6 Ų | 81.6 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 171.3 | 177 | 0 | 0 | 0 | 0 | 110 | F189 M253 F340 L341 Q347 V348 | F189-V344 HydrophobicContact CB-CG1 4.33Å; M253-V344 HydrophobicContact CE-CB 4.32Å; M253-V344 HydrophobicContact CE-CG2 3.46Å; M253-V344 VanDerWaalsContact CE-CG2 3.46Å; F340-V344 HydrophobicContact CD1-CG2 4.16Å; F340-V344 HydrophobicContact CE1-CG2 4.02Å; F340-V344 HydrophobicContact CZ-CG2 4.29Å; F340-V344 VanDerWaalsContact O-CG2 3.32Å; F340-V344 WeakPolarHBondContact O-CG2 3.2Å; F340-V344 PolarHBondContact O-N 3.42Å; L341-V344 WeakPolarHBondContact O-CB 3.3Å; L341-V344 PolarHBondContact O-N 2.93Å; V344-Q347 PolarHBondContact O-N 3.04Å; V344-V348 WeakPolarHBondContact O-CB 3.18Å; V344-V348 WeakPolarHBondContact O-CG2 3.46Å; V344-V348 PolarHBondContact O-N 3.33Å |
| 345 | E | 60.8 | Low | 54.4 | Low | 74 Ų | 74 | 77 Ų | 77 | 35% | 0.346 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.7 | -52.9 | 177.9 | -71.8 | 164.3 | -178.3 | 0 | 0 | 111 | M188 L341 Q347 V348 E349 | M188-E345 HydrophobicContact CE-CG 4.12Å; L341-E345 WeakPolarHBondContact O-CB 3.25Å; L341-E345 VanDerWaalsContact O-CG 3.3Å; L341-E345 WeakPolarHBondContact O-CG 3.27Å; L341-E345 PolarHBondContact O-N 3.14Å; E345-Q347 VanDerWaalsContact C-N 3.28Å; E345-Q347 PolarHBondContact O-N 3.28Å; E345-V348 CarbonylContact O-C 3.55Å; E345-V348 WeakPolarHBondContact O-CB 3.31Å; E345-V348 PolarHBondContact O-N 3.14Å; E345-V348 VanDerWaalsContact O-N 3.09Å; E345-E349 WeakPolarHBondContact O-CG 3.46Å; E345-E349 PolarHBondContact O-N 3.39Å |
| 346 | K | 66.6 | Low | 54.8 | Low | 144 Ų | 144 | 75.9 Ų | 75.9 | 63% | 0.626 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.2 | -32.7 | 176.9 | -77.1 | 177.6 | 179.6 | -173 | 0 | 113.9 | N342 F350 | N342-K346 WeakPolarHBondContact O-CB 3.48Å; N342-K346 WeakPolarHBondContact O-CD 3.21Å; N342-K346 WeakPolarHBondContact O-CG 3.42Å; N342-K346 PolarHBondContact O-N 3.08Å; K346-F350 VanDerWaalsContact O-CB 3.25Å; K346-F350 WeakPolarHBondContact O-CB 3.5Å; K346-F350 PolarHBondContact O-N 3.45Å |
| 347 | Q | 55.2 | Low | 54.5 | Low | 80 Ų | 80 | 81.3 Ų | 81.3 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73.3 | -37.4 | 175 | -173.6 | 166.3 | -7 | 0 | 0 | 111.6 | M253 K343 V344 E345 F350 M351 | M253-Q347 PolarHBondContact SD-OE1 3.2Å; M253-Q347 VanDerWaalsContact SD-OE1 3.35Å; K343-Q347 WeakPolarHBondContact O-CB 3.07Å; K343-Q347 PolarHBondContact O-N 3.49Å; V344-Q347 PolarHBondContact O-N 3.04Å; E345-Q347 VanDerWaalsContact C-N 3.28Å; E345-Q347 PolarHBondContact O-N 3.28Å; Q347-F350 PolarHBondContact O-N 3.35Å; Q347-M351 VanDerWaalsContact O-CG 3.3Å; Q347-M351 WeakPolarHBondContact O-CG 3.48Å; Q347-M351 PolarHBondContact O-N 3.08Å |
| 348 | V | 52.8 | Low | 54.2 | Low | 20 Ų | 20 | 84.1 Ų | 84.1 | 12% | 0.121 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65 | -44 | 171.8 | 165.6 | 0 | 0 | 0 | 0 | 111.2 | F189 A192 V344 E345 M351 R352 | F189-V348 HydrophobicContact CD2-CG2 4.17Å; A192-V348 HydrophobicContact CB-CG1 3.46Å; A192-V348 VanDerWaalsContact CB-CG1 3.46Å; A192-V348 HydrophobicContact CB-CG2 4.29Å; V344-V348 WeakPolarHBondContact O-CB 3.18Å; V344-V348 WeakPolarHBondContact O-CG2 3.46Å; V344-V348 PolarHBondContact O-N 3.33Å; E345-V348 CarbonylContact O-C 3.55Å; E345-V348 WeakPolarHBondContact O-CB 3.31Å; E345-V348 PolarHBondContact O-N 3.14Å; E345-V348 VanDerWaalsContact O-N 3.09Å; V348-M351 HydrophobicContact CG2-CE 4.27Å; V348-M351 PolarHBondContact O-N 3Å; V348-R352 WeakPolarHBondContact O-CB 3.41Å; V348-R352 PolarHBondContact O-N 3.32Å |
| 349 | E | 67.3 | Low | 53.5 | Low | 104 Ų | 104 | 86.6 Ų | 86.6 | 49% | 0.486 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 172.8 | -72.4 | 178.6 | 150.8 | 0 | 0 | 111.5 | E345 M351 R352 N353 | E345-E349 WeakPolarHBondContact O-CG 3.46Å; E345-E349 PolarHBondContact O-N 3.39Å; E349-M351 PolarHBondContact O-N 3.03Å; E349-R352 PolarHBondContact O-N 3.44Å; E349-N353 VanDerWaalsContact O-CB 3.27Å; E349-N353 WeakPolarHBondContact O-CB 3.38Å; E349-N353 PolarHBondContact O-N 3.41Å; E349-N353 PolarHBondContact O-ND2 3.12Å; E349-N353 PolarHBondContact O-OD1 2.85Å |
| 350 | F | 59.1 | Low | 52.5 | Low | 127 Ų | 127 | 91.9 Ų | 91.9 | 56% | 0.557 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.1 | -44.6 | 177 | -179.2 | -89.7 | 0 | 0 | 0 | 112.1 | K346 Q347 N354 | K346-F350 VanDerWaalsContact O-CB 3.25Å; K346-F350 WeakPolarHBondContact O-CB 3.5Å; K346-F350 PolarHBondContact O-N 3.45Å; Q347-F350 PolarHBondContact O-N 3.35Å; F350-N354 WeakPolarHBondContact CD2-ND2 3.5Å; F350-N354 WeakPolarHBondContact CE1-ND2 3.21Å; F350-N354 WeakPolarHBondContact CE2-ND2 3.12Å; F350-N354 WeakPolarHBondContact CZ-ND2 3.48Å; F350-N354 VanDerWaalsContact O-CB 3.31Å; F350-N354 WeakPolarHBondContact O-CB 3.37Å; F350-N354 PolarHBondContact O-N 3.08Å; F350-N354 PolarHBondContact O-ND2 2.92Å |
| 351 | M | 47.7 | Very low | 51.4 | Low | 52 Ų | 52 | 98.2 Ų | 98.2 | 26% | 0.256 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 176.1 | -70.2 | -173.4 | -51.6 | 0 | 0 | 112.6 | F189 A193 Q347 V348 E349 G355 G356 | F189-M351 HydrophobicContact CD2-CE 4.17Å; F189-M351 HydrophobicContact CE2-CE 3.42Å; F189-M351 VanDerWaalsContact CE2-CE 3.42Å; F189-M351 HydrophobicContact CE2-SD 4.25Å; F189-M351 HydrophobicContact CZ-CE 3.72Å; F189-M351 HydrophobicContact CZ-SD 4.23Å; A193-M351 HydrophobicContact CB-CE 4.06Å; Q347-M351 VanDerWaalsContact O-CG 3.3Å; Q347-M351 WeakPolarHBondContact O-CG 3.48Å; Q347-M351 PolarHBondContact O-N 3.08Å; V348-M351 HydrophobicContact CG2-CE 4.27Å; V348-M351 PolarHBondContact O-N 3Å; E349-M351 PolarHBondContact O-N 3.03Å; M351-G355 PolarHBondContact O-N 3Å; M351-G356 PolarHBondContact O-N 2.88Å; M351-G356 VanDerWaalsContact O-N 3.08Å |
| 352 | R | 57.2 | Low | 50.2 | Low | 170 Ų | 170 | 104.5 Ų | 104.5 | 64% | 0.642 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -47.9 | 176.5 | 174.8 | -179.1 | -79.9 | -176 | -6.3 | 111.2 | V348 E349 G355 | V348-R352 WeakPolarHBondContact O-CB 3.41Å; V348-R352 PolarHBondContact O-N 3.32Å; E349-R352 PolarHBondContact O-N 3.44Å; R352-G355 PolarHBondContact O-N 2.99Å |
| 353 | N | 68.8 | Low | 49 | Very low | 123 Ų | 123 | 106.4 Ų | 106.4 | 66% | 0.658 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73.2 | -35.2 | -175.5 | -65.4 | -8.8 | 0 | 0 | 0 | 112.3 | E349 G355 | E349-N353 VanDerWaalsContact O-CB 3.27Å; E349-N353 WeakPolarHBondContact O-CB 3.38Å; E349-N353 PolarHBondContact O-N 3.41Å; E349-N353 PolarHBondContact O-ND2 3.12Å; E349-N353 PolarHBondContact O-OD1 2.85Å; N353-G355 VanDerWaalsContact C-N 3.3Å; N353-G355 PolarHBondContact O-N 3.46Å |
| 354 | N | 52 | Low | 47.6 | Very low | 69 Ų | 69 | 109.7 Ų | 109.7 | 37% | 0.369 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.2 | 8.3 | 177.7 | -63.7 | -30 | 0 | 0 | 0 | 113.5 | F350 G356 K357 | F350-N354 WeakPolarHBondContact CD2-ND2 3.5Å; F350-N354 WeakPolarHBondContact CE1-ND2 3.21Å; F350-N354 WeakPolarHBondContact CE2-ND2 3.12Å; F350-N354 WeakPolarHBondContact CZ-ND2 3.48Å; F350-N354 VanDerWaalsContact O-CB 3.31Å; F350-N354 WeakPolarHBondContact O-CB 3.37Å; F350-N354 PolarHBondContact O-N 3.08Å; F350-N354 PolarHBondContact O-ND2 2.92Å; N354-G356 PolarHBondContact O-N 2.93Å; N354-G356 VanDerWaalsContact O-N 3.14Å; N354-K357 PolarHBondContact O-N 2.83Å |
| 355 | G | 43.7 | Very low | 46.7 | Very low | 62 Ų | 62 | 116.3 Ų | 116.3 | 64% | 0.639 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.1 | 31.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M351 R352 N353 K357 | M351-G355 PolarHBondContact O-N 3Å; R352-G355 PolarHBondContact O-N 2.99Å; N353-G355 VanDerWaalsContact C-N 3.3Å; N353-G355 PolarHBondContact O-N 3.46Å; G355-K357 PolarHBondContact O-N 3.1Å; G355-K357 VanDerWaalsContact O-N 3.14Å |
| 356 | G | 42.7 | Very low | 45.4 | Very low | 65 Ų | 65 | 119.2 Ų | 119.2 | 67% | 0.67 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.5 | -1.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116 | M351 N354 | M351-G356 PolarHBondContact O-N 2.88Å; M351-G356 VanDerWaalsContact O-N 3.08Å; N354-G356 PolarHBondContact O-N 2.93Å; N354-G356 VanDerWaalsContact O-N 3.14Å |
| 357 | K | 36.3 | Very low | 43.7 | Very low | 168 Ų | 168 | 120.5 Ų | 120.5 | 73% | 0.73 | 63% | 0.629 | S | S | * | * | trans | -90.6 | 107.5 | 178.9 | -67.4 | -173.5 | 178.2 | -175.2 | 0 | 110.6 | N354 G355 Q359 | N354-K357 PolarHBondContact O-N 2.83Å; G355-K357 PolarHBondContact O-N 3.1Å; G355-K357 VanDerWaalsContact O-N 3.14Å; K357-Q359 PolarHBondContact O-N 3.45Å | ||
| 358 | I | 39 | Very low | 42.5 | Very low | 154 Ų | 154 | 123.2 Ų | 123.2 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | trans | -73.3 | 119.4 | 164 | -58.9 | 172.8 | 0 | 0 | 0 | 106.6 | ||||
| 359 | Q | 36 | Very low | 41.5 | Very low | 169 Ų | 169 | 129 Ų | 129 | 79% | 0.79 | 67% | 0.674 | S | S | * | * | trans | -78.3 | 139 | 177.5 | -64.5 | -173.1 | 8.1 | 0 | 0 | 110.2 | K357 | K357-Q359 PolarHBondContact O-N 3.45Š| ||
| 360 | E | 35.5 | Very low | 39.7 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 88% | 0.879 | 69% | 0.691 | S | S | * | * | trans | -100.2 | 5.2 | -163.8 | -155.3 | 159.8 | -142.6 | 0 | 0 | 113.5 | ||||
| 361 | N | 30.1 | Very low | 38.3 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | trans | -103.1 | 81.4 | -169.9 | -66.5 | -13.7 | 0 | 0 | 0 | 112.6 | ||||
| 362 | D | 30.2 | Very low | 37.5 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | -158.8 | 142.8 | 152.6 | -127.9 | -24.7 | 0 | 0 | 0 | 113.6 | ||||
| 363 | V | 36.7 | Very low | 36.3 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 66% | 0.661 | 73% | 0.729 | S | S | * | * | trans | 63.8 | 89.8 | 174.3 | -164.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 364 | T | 30.3 | Very low | 34.5 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | trans | -103.7 | 159.5 | 151.7 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 365 | N | 33.1 | Very low | 33.5 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 100.9 | 111.8 | 174.1 | -55.7 | -37.5 | 0 | 0 | 0 | 114.9 | ||||
| 366 | D | 32.7 | Very low | 32.8 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | 124.5 | 160.1 | 9.9 | 178.5 | 45 | 0 | 0 | 0 | 110.3 | ||||
| 367 | K | 32 | Very low | 32.4 | Very low | 170 Ų | 170 | 147 Ų | 147 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | trans | 90.3 | 143.5 | 174.1 | -56.3 | 176.6 | -177.2 | 173.1 | 0 | 115.2 | ||||
| 368 | L | 29.6 | Very low | 32.3 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | cis | -151.6 | 164.7 | 11.5 | -157.5 | 71.6 | 0 | 0 | 0 | 111.4 | ||||
| 369 | I | 31.5 | Very low | 32.2 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | 73.1 | 107.9 | 164.7 | -52.7 | -179.9 | 0 | 0 | 0 | 113.7 | ||||
| 370 | Q | 29.4 | Very low | 32.1 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | cis | 64.9 | 135.2 | 43.2 | -58.6 | -176.7 | -20.4 | 0 | 0 | 114.2 | ||||
| 371 | S | 30.2 | Very low | 31.8 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | cis | -150.7 | -170.9 | -10.4 | 43.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 372 | E | 31.7 | Very low | 32.3 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | cis | -137.4 | 164 | 14.8 | -74.3 | -172.4 | 88.3 | 0 | 0 | 107.8 | ||||
| 373 | T | 30.1 | Very low | 32.5 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | cis | 73.9 | 101.2 | 35.7 | 59.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 374 | V | 31.8 | Very low | 32.5 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | trans | -161.9 | 148.9 | 136.5 | 132.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 375 | P | 30.9 | Very low | 32.9 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -111 | -177.9 | -156.8 | 41.2 | -33.3 | 0 | 0 | 0 | 116.5 | ||||
| 376 | C | 30.1 | Very low | 33.3 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -94.1 | 158 | -175.5 | -57.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 377 | E | 34.4 | Very low | 34.1 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -141.3 | 165.5 | 160.9 | -70 | -169.7 | 143.5 | 0 | 0 | 110.1 | ||||
| 378 | N | 33.3 | Very low | 34.5 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | -168.8 | 160.4 | -53.1 | -140 | -21 | 0 | 0 | 0 | 109.5 | |||||
| 379 | I | 35.8 | Very low | 35.2 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 73% | 0.728 | 80% | 0.801 | S | S | * | * | trans | 68.5 | 147.8 | 156 | -57.6 | 154.6 | 0 | 0 | 0 | 117 | ||||
| 380 | P | 34.5 | Very low | 35.7 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | cis | -129.2 | -174.6 | -42.4 | 38.5 | -18.6 | 0 | 0 | 0 | 112.9 | ||||
| 381 | P | 30 | Very low | 36.5 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -91.9 | 168.5 | 170 | 36.6 | -35.6 | 0 | 0 | 0 | 114.4 | ||||
| 382 | V | 39.7 | Very low | 37.4 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | trans | -128.8 | 148.8 | 168.4 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 383 | E | 35.8 | Very low | 37.7 | Very low | 187 Ų | 187 | 138.1 Ų | 138.1 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -83.2 | 157.8 | -165.3 | -55 | 166.3 | 134.9 | 0 | 0 | 114.2 | ||||
| 384 | T | 34.8 | Very low | 38.1 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -124.2 | 123.4 | 160.4 | 39.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 385 | S | 40.2 | Very low | 38.4 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 137.9 | 174.8 | 49 | 0 | 0 | 0 | 0 | 111.1 | ||
| 386 | V | 41.2 | Very low | 38.9 | Very low | 126 Ų | 126 | 140 Ų | 140 | 76% | 0.764 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 134.6 | 179.7 | 174 | 0 | 0 | 0 | 0 | 110.1 | L388 | V386-L388 HydrophobicContact CG1-CD1 4.37Å; V386-L388 HydrophobicContact CG1-CG 4.18Å |
| 387 | A | 49.1 | Very low | 39.4 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 133.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 388 | L | 41.4 | Very low | 39.7 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | trans | -135.8 | 153.5 | 178.7 | -106 | 173 | 0 | 0 | 0 | 110 | V386 | V386-L388 HydrophobicContact CG1-CD1 4.37Å; V386-L388 HydrophobicContact CG1-CG 4.18Å | ||
| 389 | N | 43.4 | Very low | 40.2 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | 70.6 | 145.6 | -179.2 | -41 | -45 | 0 | 0 | 0 | 114.2 | ||||
| 390 | G | 40.9 | Very low | 40.5 | Very low | 57 Ų | 57 | 137.8 Ų | 137.8 | 59% | 0.588 | 84% | 0.835 | S | S | * | * | cis | 143.8 | 143.8 | -4.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 391 | T | 46.5 | Very low | 41 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 89% | 0.89 | 85% | 0.846 | S | S | * | * | trans | 62.6 | 143.9 | -169.7 | 15.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 392 | I | 49.3 | Very low | 42 | Very low | 233 Ų | 233 | 142.1 Ų | 142.1 | 100% | 1.195 | 85% | 0.852 | S | S | * | * | cis | -112.9 | 0 | 2.4 | -68.6 | 172.8 | 0 | 0 | 0 | 109.6 |
Retrieved 392 of 392 residues in 116.5 ms
(Link to these results)