| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.9 | Very low | 45.3 | Very low | 239 Ų | 239 | 173.8 Ų | 173.8 | 100% | 1.177 | 86% | 0.855 | S | S | * | * | 0 | 109.1 | 0 | -57.2 | -161.1 | 93.8 | 0 | 0 | 108.3 | N3 | M1-N3 PolarHBondContact O-N 3.48Š| |||
| 2 | S | 40.4 | Very low | 46 | Very low | 120 Ų | 120 | 174 Ų | 174 | 84% | 0.839 | 85% | 0.852 | S | S | * | * | trans | -86.4 | 107.3 | -171.3 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | S4 | S2-S4 PolarHBondContact O-N 3.13Å; S2-S4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | N | 45.3 | Very low | 46.3 | Very low | 158 Ų | 158 | 169.5 Ų | 169.5 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | -74.8 | 98.5 | 169.1 | -77.5 | -30.9 | 0 | 0 | 0 | 109.6 | M1 K5 | M1-N3 PolarHBondContact O-N 3.48Å; N3-K5 PolarHBondContact O-N 3.03Å; N3-K5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | S | 45 | Very low | 46.8 | Very low | 118 Ų | 118 | 164.2 Ų | 164.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -63.3 | 109.2 | 171.1 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | S2 R6 | S2-S4 PolarHBondContact O-N 3.13Å; S2-S4 VanDerWaalsContact O-N 3.13Å; S4-R6 PolarHBondContact O-N 3.15Å | ||
| 5 | K | 50.8 | Low | 47 | Very low | 197 Ų | 197 | 163.7 Ų | 163.7 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -67.6 | 99.1 | 173.1 | -77.2 | 177.2 | 178.5 | 173.9 | 0 | 108.7 | N3 R7 | N3-K5 PolarHBondContact O-N 3.03Å; N3-K5 VanDerWaalsContact O-N 3.15Å; K5-R7 PolarHBondContact O-N 3.3Å | ||
| 6 | R | 47.2 | Very low | 47.3 | Very low | 243 Ų | 243 | 158.1 Ų | 158.1 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | trans | -48.8 | 107.2 | 166.3 | -119.2 | 177.7 | 177.6 | -176.2 | -0.8 | 109 | S4 R8 | S4-R6 PolarHBondContact O-N 3.15Å; R6-R8 PolarHBondContact O-N 2.99Å | ||
| 7 | R | 43.9 | Very low | 47.6 | Very low | 244 Ų | 244 | 162.1 Ų | 162.1 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 123.3 | 169.9 | -70.4 | 178.2 | 85.3 | -172 | 4.2 | 107.1 | K5 S9 | K5-R7 PolarHBondContact O-N 3.3Å; R7-S9 PolarHBondContact O-N 3.41Å |
| 8 | R | 43.2 | Very low | 47.6 | Very low | 243 Ų | 243 | 161.1 Ų | 161.1 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 119.4 | 170.3 | -75.1 | 177.4 | 173.1 | 149.9 | -2.4 | 106.9 | R6 | R6-R8 PolarHBondContact O-N 2.99Š|
| 9 | S | 47.5 | Very low | 47.8 | Very low | 103 Ų | 103 | 157.4 Ų | 157.4 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 147.8 | 175.3 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | R7 V11 | R7-S9 PolarHBondContact O-N 3.41Å; S9-V11 PolarHBondContact O-N 3.25Å |
| 10 | D | 45.5 | Very low | 47.8 | Very low | 160 Ų | 160 | 153.5 Ų | 153.5 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 116.7 | -178.1 | -59.3 | -51.9 | 0 | 0 | 0 | 111.2 | E12 | D10-E12 PolarHBondContact O-N 3.41Š|
| 11 | V | 49.9 | Very low | 47.8 | Very low | 87 Ų | 87 | 155.3 Ų | 155.3 | 53% | 0.527 | 75% | 0.75 | S | S | . | * | trans | -80.5 | 102.5 | 172.4 | 176.1 | 0 | 0 | 0 | 0 | 106.2 | S9 F13 | S9-V11 PolarHBondContact O-N 3.25Å; V11-F13 WeakPolarHBondContact O-CD2 3.37Å; V11-F13 PolarHBondContact O-N 3.24Å; V11-F13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | E | 53.4 | Low | 48.4 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | trans | -61.3 | 115.2 | 168.1 | -73.1 | -173.5 | 169.7 | 0 | 0 | 108.8 | D10 L14 | D10-E12 PolarHBondContact O-N 3.41Å; E12-L14 PolarHBondContact O-N 3.4Å | ||
| 13 | F | 49.3 | Very low | 48.9 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 51% | 0.509 | 71% | 0.71 | S | S | . | * | trans | -81.3 | 116.4 | 171.9 | -71.4 | -86.3 | 0 | 0 | 0 | 108 | V11 E15 | V11-F13 WeakPolarHBondContact O-CD2 3.37Å; V11-F13 PolarHBondContact O-N 3.24Å; V11-F13 VanDerWaalsContact O-N 3.15Å; F13-E15 PolarHBondContact O-N 3.36Å | ||
| 14 | L | 53.5 | Low | 49 | Very low | 95 Ų | 95 | 145.3 Ų | 145.3 | 50% | 0.497 | 71% | 0.71 | S | S | . | * | trans | -57.1 | 113.6 | 167.8 | -106.4 | 69.2 | 0 | 0 | 0 | 109.7 | E12 L16 I19 | E12-L14 PolarHBondContact O-N 3.4Å; L14-L16 PolarHBondContact O-N 3.2Å; L14-I19 HydrophobicContact CB-CD1 4.27Å; L14-I19 HydrophobicContact CD2-CD1 3.25Å; L14-I19 HydrophobicContact CG-CD1 3.67Å | ||
| 15 | E | 50 | Low | 49.2 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 73% | 0.729 | 71% | 0.705 | S | S | * | * | trans | -68.7 | 117.7 | 171.7 | -99 | -171.9 | 166.5 | 0 | 0 | 110.3 | F13 R17 | F13-E15 PolarHBondContact O-N 3.36Å; E15-R17 PolarHBondContact O-N 3.28Å | ||
| 16 | L | 52 | Low | 48.9 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 39% | 0.393 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | 18 | -169 | -66.8 | 166.6 | 0 | 0 | 0 | 114.8 | L14 | L14-L16 PolarHBondContact O-N 3.2Š|
| 17 | R | 52.8 | Low | 49 | Very low | 225 Ų | 225 | 137.5 Ų | 137.5 | 85% | 0.849 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -24.2 | 180 | -67.9 | -169.8 | -180 | -172.6 | 2.7 | 113.1 | E15 | E15-R17 PolarHBondContact O-N 3.28Š|
| 18 | N | 47.7 | Very low | 49.1 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 77% | 0.77 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -113.3 | 6.9 | -167.2 | -63.3 | -11.1 | 0 | 0 | 0 | 114.5 | ||
| 19 | I | 51.1 | Low | 49.4 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 47% | 0.467 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -126.6 | 104.4 | -167.9 | -52 | 174.5 | 0 | 0 | 0 | 108.3 | L14 | L14-I19 HydrophobicContact CB-CD1 4.27Å; L14-I19 HydrophobicContact CD2-CD1 3.25Å; L14-I19 HydrophobicContact CG-CD1 3.67Å |
| 20 | I | 48.5 | Very low | 49.3 | Very low | 79 Ų | 79 | 125.6 Ų | 125.6 | 41% | 0.405 | 67% | 0.666 | S | S | . | * | trans | 96 | 76 | 176.2 | -50 | 150.8 | 0 | 0 | 0 | 113.5 | S22 | I20-S22 PolarHBondContact O-N 3.15Å; I20-S22 VanDerWaalsContact O-N 3.17Å | ||
| 21 | E | 46.8 | Very low | 49.2 | Very low | 193 Ų | 193 | 124.6 Ų | 124.6 | 90% | 0.902 | 66% | 0.656 | S | S | * | * | trans | -63.4 | 105.7 | 143.4 | -154.7 | 168.3 | -154.2 | 0 | 0 | 106.5 | ||||
| 22 | S | 52.7 | Low | 48.7 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 57% | 0.566 | 67% | 0.668 | S | S | * | * | trans | -67.1 | 138.5 | 169.3 | 39.7 | 0 | 0 | 0 | 0 | 108.5 | I20 | I20-S22 PolarHBondContact O-N 3.15Å; I20-S22 VanDerWaalsContact O-N 3.17Å | ||
| 23 | P | 51 | Low | 48.3 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 61% | 0.61 | 66% | 0.662 | S | S | * | * | trans | -56.1 | 148.6 | 169.6 | 25.7 | -32.1 | 0 | 0 | 0 | 108.8 | T25 | P23-T25 PolarHBondContact O-N 2.99Š| ||
| 24 | P | 48.3 | Very low | 48 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 85% | 0.851 | 68% | 0.678 | S | S | * | * | trans | -59.2 | 106.5 | -179.8 | 24.5 | -31.6 | 0 | 0 | 0 | 108.3 | D26 | P24-D26 PolarHBondContact O-N 3.5Š| ||
| 25 | T | 49.1 | Very low | 47.4 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | trans | -63.5 | 118.6 | 166.1 | 9.6 | 0 | 0 | 0 | 0 | 106.8 | P23 L27 | P23-T25 PolarHBondContact O-N 2.99Å; T25-L27 PolarHBondContact O-N 3.13Å | ||
| 26 | D | 43.7 | Very low | 47 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | trans | -42.2 | 104.9 | 170.2 | -128 | -12.7 | 0 | 0 | 0 | 109.5 | P24 D28 | P24-D26 PolarHBondContact O-N 3.5Å; D26-D28 PolarHBondContact O-N 3.15Å; D26-D28 VanDerWaalsContact O-N 3.11Å | ||
| 27 | L | 48.8 | Very low | 46.7 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 1 | -173.3 | -83.2 | 165 | 0 | 0 | 0 | 112.5 | T25 Q31 | T25-L27 PolarHBondContact O-N 3.13Å; L27-Q31 WeakPolarHBondContact O-CG 3.49Å; L27-Q31 PolarHBondContact O-NE2 3.49Å; L27-Q31 VanDerWaalsContact O-NE2 3.17Å |
| 28 | D | 46.6 | Very low | 46.4 | Very low | 119 Ų | 119 | 139 Ų | 139 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -18 | -176.7 | -85.6 | -19 | 0 | 0 | 0 | 114.7 | D26 | D26-D28 PolarHBondContact O-N 3.15Å; D26-D28 VanDerWaalsContact O-N 3.11Å |
| 29 | A | 48.6 | Very low | 46.3 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -81.6 | -24.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 30 | D | 46.2 | Very low | 46 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -105.6 | -2.7 | -176.2 | -93.6 | -16.1 | 0 | 0 | 0 | 114.2 | N32 | D30-N32 VanDerWaalsContact C-N 3.26Å; D30-N32 PolarHBondContact O-N 3.29Å |
| 31 | Q | 43.6 | Very low | 45.8 | Very low | 138 Ų | 138 | 153.4 Ų | 153.4 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -7.8 | 178 | -80.2 | -165.9 | 54.3 | 0 | 0 | 114.7 | L27 | L27-Q31 WeakPolarHBondContact O-CG 3.49Å; L27-Q31 PolarHBondContact O-NE2 3.49Å; L27-Q31 VanDerWaalsContact O-NE2 3.17Å |
| 32 | N | 39.9 | Very low | 45.4 | Very low | 144 Ų | 144 | 151.7 Ų | 151.7 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 8.8 | -174.3 | -75.9 | -43.8 | 0 | 0 | 0 | 115.8 | D30 | D30-N32 VanDerWaalsContact C-N 3.26Å; D30-N32 PolarHBondContact O-N 3.29Å |
| 33 | I | 44.2 | Very low | 44.7 | Very low | 139 Ų | 139 | 152.9 Ų | 152.9 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -132.4 | 44 | -173 | -38.7 | 177.5 | 0 | 0 | 0 | 112.9 | ||
| 34 | R | 42.2 | Very low | 44.2 | Very low | 223 Ų | 223 | 155.4 Ų | 155.4 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | -161.2 | 47.2 | 161.4 | -134.9 | 173.3 | -169.6 | -171.2 | 3.2 | 118 | S36 | R34-S36 PolarHBondContact O-N 3.06Š| ||
| 35 | K | 41.5 | Very low | 43.6 | Very low | 210 Ų | 210 | 155.5 Ų | 155.5 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -86.9 | 57.8 | 159.6 | -66.7 | -171.5 | -178.3 | 177.4 | 0 | 111 | K37 | K35-K37 PolarHBondContact O-N 3.29Š| ||
| 36 | S | 41.7 | Very low | 43.2 | Very low | 86 Ų | 86 | 156.9 Ų | 156.9 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | trans | -74.9 | 95.8 | 166.2 | 58.4 | 0 | 0 | 0 | 0 | 108 | R34 R38 | R34-S36 PolarHBondContact O-N 3.06Å; S36-R38 VanDerWaalsContact C-N 3.34Å; S36-R38 PolarHBondContact O-N 3.09Å | ||
| 37 | K | 46.3 | Very low | 43.1 | Very low | 195 Ų | 195 | 155.2 Ų | 155.2 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -54.5 | 97.4 | 167.6 | -72.5 | -176.7 | 175.4 | -179.1 | 0 | 108.4 | K35 L39 | K35-K37 PolarHBondContact O-N 3.29Å; K37-L39 PolarHBondContact O-N 3.39Å | ||
| 38 | R | 45.1 | Very low | 42.4 | Very low | 236 Ų | 236 | 156.1 Ų | 156.1 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | -70.4 | 88.9 | 156.8 | -83.8 | -178.4 | 165.3 | -177.3 | -4.9 | 105.8 | S36 R40 | S36-R38 VanDerWaalsContact C-N 3.34Å; S36-R38 PolarHBondContact O-N 3.09Å; R38-R40 VanDerWaalsContact C-N 3.28Å; R38-R40 PolarHBondContact O-N 3.36Å | ||
| 39 | L | 45.7 | Very low | 42.2 | Very low | 158 Ų | 158 | 155.7 Ų | 155.7 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -59.4 | 101.3 | 158.9 | -83.2 | 159.8 | 0 | 0 | 0 | 105.9 | K37 R41 | K37-L39 PolarHBondContact O-N 3.39Å; L39-R41 PolarHBondContact O-N 2.77Å | ||
| 40 | R | 45.6 | Very low | 41.8 | Very low | 227 Ų | 227 | 160.1 Ų | 160.1 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -58.4 | 108.8 | 160.9 | -76.5 | -179.3 | 169.4 | 143.8 | -4.4 | 105.2 | R38 D42 | R38-R40 VanDerWaalsContact C-N 3.28Å; R38-R40 PolarHBondContact O-N 3.36Å; R40-D42 PolarHBondContact O-N 2.96Å; R40-D42 VanDerWaalsContact O-N 3.12Å | ||
| 41 | R | 43.9 | Very low | 41.5 | Very low | 232 Ų | 232 | 160 Ų | 160 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -55.6 | 110 | 151.4 | -75.3 | 178.1 | 168.9 | 120 | -2.7 | 104.1 | L39 | L39-R41 PolarHBondContact O-N 2.77Š|
| 42 | D | 39.2 | Very low | 41.6 | Very low | 156 Ų | 156 | 163.1 Ų | 163.1 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | 157.2 | 64.5 | 162.2 | -73.4 | -16.8 | 0 | 0 | 0 | 108.2 | R40 | R40-D42 PolarHBondContact O-N 2.96Å; R40-D42 VanDerWaalsContact O-N 3.12Å | ||
| 43 | S | 38.5 | Very low | 41.9 | Very low | 107 Ų | 107 | 165.4 Ų | 165.4 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | 165.4 | 77.1 | 158 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 44 | I | 39.6 | Very low | 41.7 | Very low | 146 Ų | 146 | 164.8 Ų | 164.8 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | trans | -124.7 | 79.7 | 156.5 | -60.1 | -179.4 | 0 | 0 | 0 | 105.1 | L46 | I44-L46 VanDerWaalsContact C-N 3.33Å; I44-L46 HydrophobicContact CG2-CB 4.19Å; I44-L46 HydrophobicContact CG2-CD1 3.47Å; I44-L46 VanDerWaalsContact CG2-CD1 3.47Å; I44-L46 HydrophobicContact CG2-CG 3.49Å; I44-L46 VanDerWaalsContact CG2-CG 3.49Å; I44-L46 PolarHBondContact O-N 3.13Å | ||
| 45 | C | 35.4 | Very low | 41.9 | Very low | 133 Ų | 133 | 159.9 Ų | 159.9 | 90% | 0.899 | 82% | 0.816 | S | S | * | * | trans | -75.8 | 94.7 | 155.3 | -69.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 46 | L | 41.7 | Very low | 42.2 | Very low | 147 Ų | 147 | 159.4 Ų | 159.4 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -102.8 | 122 | 163 | -75.4 | 170.7 | 0 | 0 | 0 | 107.6 | I44 | I44-L46 VanDerWaalsContact C-N 3.33Å; I44-L46 HydrophobicContact CG2-CB 4.19Å; I44-L46 HydrophobicContact CG2-CD1 3.47Å; I44-L46 VanDerWaalsContact CG2-CD1 3.47Å; I44-L46 HydrophobicContact CG2-CG 3.49Å; I44-L46 VanDerWaalsContact CG2-CG 3.49Å; I44-L46 PolarHBondContact O-N 3.13Å | ||
| 47 | S | 40.7 | Very low | 42.4 | Very low | 104 Ų | 104 | 161.4 Ų | 161.4 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -59.7 | 133.1 | -179.8 | 44.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 48 | N | 34.4 | Very low | 42.4 | Very low | 158 Ų | 158 | 157.6 Ų | 157.6 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | 27.2 | 107 | 143.7 | -57.4 | -10.1 | 0 | 0 | 0 | 118.3 | ||||
| 49 | S | 43.1 | Very low | 42.2 | Very low | 110 Ų | 110 | 158.1 Ų | 158.1 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | -164.3 | 114.6 | 124.8 | 51 | 0 | 0 | 0 | 0 | 111 | |||||
| 50 | E | 40 | Very low | 42.4 | Very low | 171 Ų | 171 | 155.1 Ų | 155.1 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | trans | 49.7 | 120.9 | 137.7 | -70.4 | -175.2 | 146.7 | 0 | 0 | 121.9 | ||||
| 51 | N | 40 | Very low | 42.5 | Very low | 141 Ų | 141 | 150.3 Ų | 150.3 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | trans | 100.5 | 116.6 | 139.4 | -62.5 | -33.6 | 0 | 0 | 0 | 119.8 | ||||
| 52 | K | 45.3 | Very low | 42.5 | Very low | 202 Ų | 202 | 149.2 Ų | 149.2 | 88% | 0.878 | 82% | 0.823 | S | S | * | * | trans | 90.9 | 98.2 | 151.8 | -70.2 | -173.6 | 172.6 | -176 | 0 | 119.9 | ||||
| 53 | E | 45.8 | Very low | 42.8 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | 56.6 | 120.3 | 141.4 | -99 | -168.1 | 152.6 | 0 | 0 | 121.2 | ||||
| 54 | P | 40.5 | Very low | 43.2 | Very low | 127 Ų | 127 | 158.4 Ų | 158.4 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -105 | 116.9 | 168.8 | 35.1 | -23 | 0 | 0 | 0 | 111.9 | ||||
| 55 | S | 47 | Very low | 43.5 | Very low | 119 Ų | 119 | 156.7 Ų | 156.7 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | -95.1 | 125.7 | 158.3 | 59.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 56 | K | 46.9 | Very low | 43.8 | Very low | 200 Ų | 200 | 155.8 Ų | 155.8 | 87% | 0.87 | 83% | 0.831 | S | S | * | * | trans | -66 | 156.9 | -173.2 | -65.4 | 167.9 | 179.7 | 169.1 | 0 | 111.9 | ||||
| 57 | P | 46.9 | Very low | 44 | Very low | 128 Ų | 128 | 159.9 Ų | 159.9 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | -132.2 | 124 | 124.4 | 31.4 | -18.2 | 0 | 0 | 0 | 114.5 | |||||
| 58 | S | 45.2 | Very low | 44.3 | Very low | 115 Ų | 115 | 160 Ų | 160 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | 18.3 | 123 | 141.9 | -160.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 59 | R | 41 | Very low | 44.8 | Very low | 248 Ų | 248 | 158.4 Ų | 158.4 | 94% | 0.936 | 83% | 0.834 | S | S | * | * | trans | -56.1 | 131.8 | 162.5 | -89.9 | 170.1 | 163.5 | 168.4 | -4.2 | 112.1 | ||||
| 60 | A | 49.5 | Very low | 44.9 | Very low | 94 Ų | 94 | 161.3 Ų | 161.3 | 78% | 0.777 | 84% | 0.84 | S | S | * | * | trans | -123.2 | 144.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 61 | P | 47.3 | Very low | 45.1 | Very low | 127 Ų | 127 | 162.8 Ų | 162.8 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | -92.2 | 149.9 | -157.6 | 13.3 | 4.3 | 0 | 0 | 0 | 114.2 | R63 | P61-R63 PolarHBondContact O-N 3.48Š| ||
| 62 | K | 44.4 | Very low | 45.1 | Very low | 208 Ų | 208 | 164.6 Ų | 164.6 | 90% | 0.904 | 85% | 0.848 | S | S | * | * | trans | -53.6 | 118.9 | 175.7 | -67.6 | 175.3 | 174.1 | 177.5 | 0 | 112.1 | K64 | K62-K64 PolarHBondContact O-N 3.36Š| ||
| 63 | R | 46.5 | Very low | 44.9 | Very low | 249 Ų | 249 | 163.1 Ų | 163.1 | 94% | 0.94 | 85% | 0.849 | S | S | * | * | trans | -74.3 | 115.7 | 164.6 | -69 | 178.8 | 82.2 | 165.6 | 4 | 109.4 | P61 | P61-R63 PolarHBondContact O-N 3.48Š| ||
| 64 | K | 45.4 | Very low | 44.4 | Very low | 208 Ų | 208 | 159.8 Ų | 159.8 | 90% | 0.904 | 84% | 0.837 | S | S | * | * | trans | -73.5 | 121.5 | 168.4 | -65.4 | 177.3 | 177.8 | 179.6 | 0 | 108.4 | K62 | K62-K64 PolarHBondContact O-N 3.36Š| ||
| 65 | S | 46.1 | Very low | 44.4 | Very low | 110 Ų | 110 | 159.2 Ų | 159.2 | 77% | 0.769 | 84% | 0.836 | S | S | * | * | trans | -101 | 103 | 167.7 | 161 | 0 | 0 | 0 | 0 | 108.1 | R67 | S65-R67 PolarHBondContact O-N 2.94Š| ||
| 66 | S | 43.1 | Very low | 44.1 | Very low | 114 Ų | 114 | 160.9 Ų | 160.9 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | -70.9 | 103.4 | 167.1 | 41.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 67 | R | 44.8 | Very low | 43.6 | Very low | 233 Ų | 233 | 159.3 Ų | 159.3 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | trans | -104.1 | 104.8 | 164.4 | -148.4 | 177.1 | -158 | 180 | 6.1 | 107.3 | S65 | S65-R67 PolarHBondContact O-N 2.94Š| ||
| 68 | C | 47.1 | Very low | 43 | Very low | 107 Ų | 107 | 157.9 Ų | 157.9 | 72% | 0.723 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 140 | 177 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 69 | P | 44.3 | Very low | 42.5 | Very low | 124 Ų | 124 | 159.3 Ų | 159.3 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 134.2 | 170.7 | 2.2 | 13.5 | 0 | 0 | 0 | 110 | K71 | P69-K71 PolarHBondContact O-N 3.4Š|
| 70 | L | 45.6 | Very low | 42 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 128.4 | 167 | -99.3 | 94.1 | 0 | 0 | 0 | 109.3 | Q72 | L70-Q72 PolarHBondContact O-N 3.24Š|
| 71 | K | 44.4 | Very low | 41.4 | Very low | 203 Ų | 203 | 153.7 Ų | 153.7 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 124.9 | 171.7 | -69.1 | -178.8 | 173.6 | -175.7 | 0 | 110 | P69 | P69-K71 PolarHBondContact O-N 3.4Š|
| 72 | Q | 39.8 | Very low | 40.8 | Very low | 178 Ų | 178 | 154.5 Ų | 154.5 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 120.8 | 166.1 | -69.2 | 178.1 | -74.1 | 0 | 0 | 108.6 | L70 | L70-Q72 PolarHBondContact O-N 3.24Š|
| 73 | L | 41.1 | Very low | 40.1 | Very low | 172 Ų | 172 | 153.6 Ų | 153.6 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -90 | 100.6 | 163.1 | -82.5 | 164.1 | 0 | 0 | 0 | 107.3 | ||||
| 74 | N | 35.9 | Very low | 39.6 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 65% | 0.647 | 81% | 0.805 | S | S | * | * | trans | -86.7 | 120 | 160.1 | -75.2 | 1 | 0 | 0 | 0 | 107.3 | ||||
| 75 | S | 39.9 | Very low | 38.9 | Very low | 115 Ų | 115 | 146 Ų | 146 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -123.3 | 104.6 | 154.2 | 56.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 76 | H | 40.3 | Very low | 38.4 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -62.3 | 136.6 | 162.6 | -68.9 | -94.6 | 0 | 0 | 0 | 108.3 | ||||
| 77 | D | 36.3 | Very low | 37.8 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -146.9 | 132.7 | 140.5 | -120.6 | -21.3 | 0 | 0 | 0 | 110.1 | ||||
| 78 | S | 34 | Very low | 37.5 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -101.3 | 124.2 | -167.2 | -53.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 79 | T | 36.6 | Very low | 37 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -152.1 | 107.9 | 154.9 | 34.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 80 | S | 30 | Very low | 36.5 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -62.4 | 141.1 | 155.9 | 164.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 81 | T | 37.3 | Very low | 36.2 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -178.5 | 114.7 | 133.2 | 34.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 82 | N | 33 | Very low | 36 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | 55.9 | 115.5 | 135 | -56.7 | -28.1 | 0 | 0 | 0 | 122.1 | ||||
| 83 | H | 30.7 | Very low | 35.9 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | -54.7 | 136.5 | 160.1 | -107.9 | -84.6 | 0 | 0 | 0 | 112.5 | ||||
| 84 | T | 36.6 | Very low | 35.6 | Very low | 129 Ų | 129 | 144 Ų | 144 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -138 | 123.6 | 154.4 | -46.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 85 | Q | 30.7 | Very low | 36 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -84 | 121.4 | -177.1 | -175.2 | 177.5 | 11.8 | 0 | 0 | 108.5 | ||||
| 86 | L | 35.7 | Very low | 35.9 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -123.3 | 107.3 | 168.4 | -75.8 | 175 | 0 | 0 | 0 | 109.9 | ||||
| 87 | T | 29.4 | Very low | 35.8 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -78.6 | 125.7 | 167.1 | -53.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 88 | V | 39.6 | Very low | 35.6 | Very low | 124 Ų | 124 | 146 Ų | 146 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -127.8 | 128.7 | 166.7 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 89 | P | 35.6 | Very low | 35.8 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | trans | -79.3 | 144 | -175.3 | 31.5 | -33 | 0 | 0 | 0 | 112.2 | ||||
| 90 | M | 33.4 | Very low | 35.8 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | trans | -63.2 | 131.2 | 170.5 | -68.9 | -79.2 | 147.8 | 0 | 0 | 110.8 | ||||
| 91 | K | 40.3 | Very low | 36.1 | Very low | 203 Ų | 203 | 146 Ų | 146 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -130.6 | 113.7 | 158.2 | -112.3 | 176.3 | 177.6 | 179.3 | 0 | 108.2 | ||||
| 92 | N | 38.8 | Very low | 36 | Very low | 138 Ų | 138 | 148.7 Ų | 148.7 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -69.7 | 134.2 | 170.2 | -65.6 | -25.6 | 0 | 0 | 0 | 108.7 | ||||
| 93 | D | 37.7 | Very low | 36.1 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -142.5 | 110.5 | 150.4 | -86 | -37.5 | 0 | 0 | 0 | 107.7 | ||||
| 94 | L | 36.5 | Very low | 36.2 | Very low | 167 Ų | 167 | 146 Ų | 146 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -82.4 | 139 | 173.5 | -73.8 | 160.8 | 0 | 0 | 0 | 108.9 | ||||
| 95 | L | 42.9 | Very low | 36.1 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -116 | 132 | 159.3 | -70.9 | 175.9 | 0 | 0 | 0 | 108.9 | ||||
| 96 | P | 38.1 | Very low | 36.2 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -88.3 | 140.8 | 175.8 | 34.7 | -29.3 | 0 | 0 | 0 | 110.3 | ||||
| 97 | M | 37.6 | Very low | 36.3 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | trans | -135.5 | 108.7 | 167.7 | -98.8 | -68.8 | -64.4 | 0 | 0 | 109.4 | I99 | M97-I99 HydrophobicContact CE-CD1 3.86Å; M97-I99 HydrophobicContact CE-CG1 3.84Å | ||
| 98 | D | 32.9 | Very low | 36.7 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -73 | 128 | 165.6 | -74.7 | -40.2 | 0 | 0 | 0 | 109.8 | ||||
| 99 | I | 38.3 | Very low | 36.6 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -140.7 | 107.8 | 156.1 | -52.1 | 178 | 0 | 0 | 0 | 108 | M97 | M97-I99 HydrophobicContact CE-CD1 3.86Å; M97-I99 HydrophobicContact CE-CG1 3.84Å | ||
| 100 | S | 36.9 | Very low | 36.8 | Very low | 95 Ų | 95 | 145.3 Ų | 145.3 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | trans | -69.1 | 152.9 | 168.8 | 44.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 101 | S | 35.5 | Very low | 36.9 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | 62.2 | 113.8 | 150.5 | 46.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 102 | I | 35.5 | Very low | 36.9 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | -153.9 | 136.4 | 125.1 | -89 | 136.1 | 0 | 0 | 0 | 109.4 | |||||
| 103 | N | 35.5 | Very low | 36.8 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | -81.7 | 152.5 | -168.2 | -81.6 | -26.5 | 0 | 0 | 0 | 114.3 | ||||
| 104 | T | 32 | Very low | 36.7 | Very low | 133 Ų | 133 | 137 Ų | 137 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | 29.7 | 128.2 | 145.9 | 41.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 105 | V | 34.2 | Very low | 37.2 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -130.5 | 122.1 | 148.4 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | F107 | V105-F107 HydrophobicContact CB-CE2 4.39Å; V105-F107 HydrophobicContact CG1-CD2 3.99Å; V105-F107 HydrophobicContact CG1-CE1 4.39Å; V105-F107 HydrophobicContact CG1-CE2 3.37Å; V105-F107 HydrophobicContact CG1-CZ 3.61Å | ||
| 106 | S | 33.4 | Very low | 36.9 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -105.2 | 135 | 171.8 | 175.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 107 | F | 38.2 | Very low | 37.2 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -117.4 | 116.1 | 170.7 | -73.6 | -74.3 | 0 | 0 | 0 | 110.2 | V105 | V105-F107 HydrophobicContact CB-CE2 4.39Å; V105-F107 HydrophobicContact CG1-CD2 3.99Å; V105-F107 HydrophobicContact CG1-CE1 4.39Å; V105-F107 HydrophobicContact CG1-CE2 3.37Å; V105-F107 HydrophobicContact CG1-CZ 3.61Å | ||
| 108 | G | 39 | Very low | 37.4 | Very low | 59 Ų | 59 | 135.7 Ų | 135.7 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | trans | -79.1 | 143.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 109 | N | 37.5 | Very low | 37.9 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | 17.4 | 107.8 | 148.4 | -51.8 | -6.9 | 0 | 0 | 0 | 117.6 | ||||
| 110 | L | 38.2 | Very low | 38.1 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -115.7 | 102.4 | 160.5 | -70.4 | 172.3 | 0 | 0 | 0 | 109.6 | ||||
| 111 | S | 36.9 | Very low | 38.5 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -86.4 | 125.1 | 160.9 | -60.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 112 | I | 39 | Very low | 38.8 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -114.5 | 112.6 | 176.2 | -36.4 | 176 | 0 | 0 | 0 | 107.9 | ||||
| 113 | S | 37.8 | Very low | 39.3 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 139.3 | 171.6 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 114 | S | 35.9 | Very low | 39.6 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 138 | 175.7 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 115 | P | 46.9 | Very low | 39.8 | Very low | 119 Ų | 119 | 146 Ų | 146 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 124.2 | 173.9 | 34.1 | -26.2 | 0 | 0 | 0 | 111.7 | ||
| 116 | N | 36.1 | Very low | 40.3 | Very low | 160 Ų | 160 | 146 Ų | 146 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -88 | 132.6 | 154.4 | -83.5 | -27.5 | 0 | 0 | 0 | 108.5 | ||
| 117 | K | 43.2 | Very low | 40.7 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -173.5 | 106.1 | 153.3 | -101.8 | 176.1 | -174.3 | -168.5 | 0 | 106.9 | ||||
| 118 | S | 43.3 | Very low | 40.8 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | 56.7 | 119.5 | 97.5 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 119 | E | 43.8 | Very low | 40.7 | Very low | 190 Ų | 190 | 144.6 Ų | 144.6 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | -173.7 | 145.1 | 118.5 | -151.1 | 157.1 | -167.7 | 0 | 0 | 111.7 | |||||
| 120 | N | 41.2 | Very low | 40.9 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -77 | 141.1 | -177.7 | -67.3 | -59.2 | 0 | 0 | 0 | 112 | ||||
| 121 | T | 45.8 | Very low | 41 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | trans | -147.3 | 113.1 | 154.7 | -5.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 122 | K | 41.2 | Very low | 41.3 | Very low | 206 Ų | 206 | 143.7 Ų | 143.7 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | -69 | 121.8 | 173.5 | -71.6 | 172.5 | 176.6 | 176.8 | 0 | 109.2 | ||||
| 123 | L | 45.5 | Very low | 41.6 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | trans | -144.4 | 113.6 | 165.3 | -97.8 | 146.8 | 0 | 0 | 0 | 110.5 | ||||
| 124 | S | 43.2 | Very low | 42.3 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | 42.3 | 108.7 | 150.4 | 58.7 | 0 | 0 | 0 | 0 | 120.2 | P126 | S124-P126 WeakPolarHBondContact O-CD 3.37Š| ||
| 125 | R | 36.1 | Very low | 43 | Very low | 232 Ų | 232 | 144 Ų | 144 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -44.9 | 130.1 | 158.2 | -177 | -177.1 | -169.7 | -173.5 | 3 | 113.3 | ||||
| 126 | P | 44.9 | Very low | 43.5 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -104.5 | 130.5 | 139.7 | 29.6 | -18.6 | 0 | 0 | 0 | 109 | S124 S128 | S124-P126 WeakPolarHBondContact O-CD 3.37Å; P126-S128 PolarHBondContact O-N 3.36Å | ||
| 127 | S | 40.5 | Very low | 44.4 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -64.4 | 109.6 | 171.1 | 46.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 128 | S | 40.1 | Very low | 45.1 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -158.4 | 121.7 | 140.1 | 69 | 0 | 0 | 0 | 0 | 109.6 | P126 L130 | P126-S128 PolarHBondContact O-N 3.36Å; S128-L130 PolarHBondContact O-N 2.92Å | ||
| 129 | S | 37.7 | Very low | 45.7 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -81.9 | 104.4 | -177.6 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 130 | L | 42.2 | Very low | 46.5 | Very low | 171 Ų | 171 | 139 Ų | 139 | 90% | 0.895 | 75% | 0.754 | S | S | * | * | trans | -164.9 | 50.6 | 159 | -100.1 | 153.1 | 0 | 0 | 0 | 108.6 | S128 | S128-L130 PolarHBondContact O-N 2.92Š| ||
| 131 | I | 39.4 | Very low | 47.5 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | -95.3 | 120.8 | 163.8 | -60.2 | 175 | 0 | 0 | 0 | 105.9 | A133 | I131-A133 PolarHBondContact O-N 3.43Š| ||
| 132 | P | 43.7 | Very low | 48.6 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -62.6 | 108.9 | 171.5 | -11.7 | 25.7 | 0 | 0 | 0 | 107.8 | F134 | P132-F134 PolarHBondContact O-N 3.08Š| ||
| 133 | A | 46 | Very low | 49.8 | Very low | 78 Ų | 78 | 139 Ų | 139 | 65% | 0.645 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -59.3 | 134.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | I131 | I131-A133 PolarHBondContact O-N 3.43Š|
| 134 | F | 52.6 | Low | 50.9 | Low | 197 Ų | 197 | 138 Ų | 138 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | trans | 81.3 | 74.7 | -173.9 | -50.1 | -78.4 | 0 | 0 | 0 | 115.7 | P132 S136 | P132-F134 PolarHBondContact O-N 3.08Å; F134-S136 VanDerWaalsContact C-N 3.31Å; F134-S136 PolarHBondContact O-N 3.21Å; F134-S136 VanDerWaalsContact O-N 3.16Å | ||
| 135 | V | 49.2 | Very low | 52.2 | Low | 117 Ų | 117 | 138.5 Ų | 138.5 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | trans | -75.7 | 94.1 | 149.9 | -175.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 136 | S | 57.2 | Low | 53.8 | Low | 67 Ų | 67 | 131.1 Ų | 131.1 | 47% | 0.469 | 70% | 0.704 | S | S | . | * | trans | -66.9 | 134.9 | 172.2 | 56.8 | 0 | 0 | 0 | 0 | 109.5 | F134 F138 | F134-S136 VanDerWaalsContact C-N 3.31Å; F134-S136 PolarHBondContact O-N 3.21Å; F134-S136 VanDerWaalsContact O-N 3.16Å; S136-F138 PolarHBondContact O-N 2.73Å; S136-F138 WeakPolarHBondContact OG-CD2 3.49Å | ||
| 137 | D | 55.9 | Low | 55 | Low | 119 Ų | 119 | 130.6 Ų | 130.6 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | -68.8 | 36.1 | -179.5 | -70.2 | -33.3 | 0 | 0 | 0 | 113.6 | Y139 L140 | D137-Y139 PolarHBondContact O-N 3.19Å; D137-Y139 VanDerWaalsContact O-N 3.09Å; D137-L140 HydrophobicContact CB-CB 4.41Å; D137-L140 HydrophobicContact CB-CD1 4.18Å; D137-L140 PolarHBondContact O-N 3.17Å | ||
| 138 | F | 58 | Low | 56.1 | Low | 157 Ų | 157 | 134.3 Ų | 134.3 | 69% | 0.689 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -58.9 | -22.8 | 176.2 | -99.9 | -91.5 | 0 | 0 | 0 | 112.6 | S136 L140 S141 | S136-F138 PolarHBondContact O-N 2.73Å; S136-F138 WeakPolarHBondContact OG-CD2 3.49Å; F138-L140 VanDerWaalsContact C-N 3.29Å; F138-L140 PolarHBondContact O-N 2.98Å; F138-S141 WeakPolarHBondContact O-CB 3.22Å; F138-S141 PolarHBondContact O-N 2.73Å |
| 139 | Y | 56.3 | Low | 56.9 | Low | 184 Ų | 184 | 138 Ų | 138 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -74 | -16.7 | 175.2 | -55.5 | -79.4 | 0 | 0 | 0 | 113.7 | D137 | D137-Y139 PolarHBondContact O-N 3.19Å; D137-Y139 VanDerWaalsContact O-N 3.09Å |
| 140 | L | 59.9 | Low | 57.6 | Low | 138 Ų | 138 | 143.9 Ų | 143.9 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -98.2 | 1.3 | 175.9 | -66.7 | 171.5 | 0 | 0 | 0 | 112.8 | D137 F138 K142 | D137-L140 HydrophobicContact CB-CB 4.41Å; D137-L140 HydrophobicContact CB-CD1 4.18Å; D137-L140 PolarHBondContact O-N 3.17Å; F138-L140 VanDerWaalsContact C-N 3.29Å; F138-L140 PolarHBondContact O-N 2.98Å; L140-K142 PolarHBondContact O-N 2.9Å |
| 141 | S | 62.3 | Low | 57.9 | Low | 55 Ų | 55 | 139 Ų | 139 | 39% | 0.385 | 70% | 0.704 | S | S | . | * | trans | -62 | 128.6 | 172.6 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | F138 R143 Y144 | F138-S141 WeakPolarHBondContact O-CB 3.22Å; F138-S141 PolarHBondContact O-N 2.73Å; S141-R143 PolarHBondContact O-N 2.82Å; S141-R143 PolarHBondContact OG-N 3.37Å; S141-Y144 PolarHBondContact O-N 3.37Å | ||
| 142 | K | 68.6 | Low | 58.8 | Low | 221 Ų | 221 | 139 Ų | 139 | 96% | 0.961 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -59.3 | -5.5 | 172.3 | -66 | -160.9 | 179.5 | -172.1 | 0 | 113.8 | L140 | L140-K142 PolarHBondContact O-N 2.9Š|
| 143 | R | 66.6 | Low | 59.2 | Low | 218 Ų | 218 | 138.6 Ų | 138.6 | 82% | 0.823 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -127.6 | 63.2 | 177.3 | -62 | -175.7 | -178.2 | -174.3 | 1.1 | 110 | S141 V145 | S141-R143 PolarHBondContact O-N 2.82Å; S141-R143 PolarHBondContact OG-N 3.37Å; R143-V145 PolarHBondContact O-N 3.16Å; R143-V145 VanDerWaalsContact O-N 3.11Å |
| 144 | Y | 69.6 | Low | 59.7 | Low | 132 Ų | 132 | 140.3 Ų | 140.3 | 52% | 0.518 | 71% | 0.713 | S | S | . | * | trans | -61.7 | 113.6 | 171.4 | 176 | -107.1 | 0 | 0 | 0 | 109.9 | S141 P146 | S141-Y144 PolarHBondContact O-N 3.37Å; Y144-P146 HydrophobicContact CD1-CB 4.5Å; Y144-P146 HydrophobicContact CE1-CB 3.65Å; Y144-P146 HydrophobicContact CE1-CG 4.15Å | ||
| 145 | V | 69.8 | Low | 60.1 | Low | 114 Ų | 114 | 137 Ų | 137 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | trans | -100.4 | 107.8 | 168.3 | -179.2 | 0 | 0 | 0 | 0 | 106.4 | R143 | R143-V145 PolarHBondContact O-N 3.16Å; R143-V145 VanDerWaalsContact O-N 3.11Å | ||
| 146 | P | 69.8 | Low | 60.5 | Low | 77 Ų | 77 | 139.4 Ų | 139.4 | 50% | 0.5 | 72% | 0.715 | S | S | . | * | trans | -56.9 | 139.2 | 178.6 | 16.7 | -26 | 0 | 0 | 0 | 110 | Y144 K148 | Y144-P146 HydrophobicContact CD1-CB 4.5Å; Y144-P146 HydrophobicContact CE1-CB 3.65Å; Y144-P146 HydrophobicContact CE1-CG 4.15Å; P146-K148 PolarHBondContact O-N 3.17Å | ||
| 147 | P | 69.4 | Low | 60.8 | Low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | -52.4 | 116 | 173.9 | -24.8 | 33.1 | 0 | 0 | 0 | 109.3 | H149 | P147-H149 PolarHBondContact O-N 2.93Å; P147-H149 VanDerWaalsContact O-N 3.15Å | ||
| 148 | K | 64.9 | Low | 61.4 | Low | 184 Ų | 184 | 139 Ų | 139 | 80% | 0.8 | 71% | 0.705 | S | S | * | * | trans | -51.8 | 125.9 | 170.6 | -66.8 | -177.8 | 180 | -179.5 | 0 | 106.2 | P146 R150 | P146-K148 PolarHBondContact O-N 3.17Å; K148-R150 PolarHBondContact O-N 3.46Å | ||
| 149 | H | 55.2 | Low | 61.8 | Low | 187 Ų | 187 | 136 Ų | 136 | 87% | 0.866 | 70% | 0.704 | S | S | * | * | trans | -48.8 | 81.7 | -177.4 | -66.5 | -81.1 | 0 | 0 | 0 | 112.1 | P147 G151 | P147-H149 PolarHBondContact O-N 2.93Å; P147-H149 VanDerWaalsContact O-N 3.15Å; H149-G151 PolarHBondContact O-N 3.43Å | ||
| 150 | R | 52.7 | Low | 62.3 | Low | 239 Ų | 239 | 131.3 Ų | 131.3 | 90% | 0.902 | 69% | 0.694 | S | S | * | * | trans | -74.4 | 105.8 | 160.8 | -73 | -165.4 | 175.8 | -164.2 | 0.3 | 103.3 | K148 L152 | K148-R150 PolarHBondContact O-N 3.46Å; R150-L152 PolarHBondContact O-N 3.12Å | ||
| 151 | G | 49.6 | Very low | 62.6 | Low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | trans | -33.3 | 118.8 | -162 | 0 | 0 | 0 | 0 | 0 | 112.8 | H149 A153 | H149-G151 PolarHBondContact O-N 3.43Å; G151-A153 PolarHBondContact O-N 2.92Å | ||
| 152 | L | 58.2 | Low | 62.7 | Low | 153 Ų | 153 | 136 Ų | 136 | 80% | 0.801 | 70% | 0.698 | S | S | * | * | trans | -47 | 120.6 | 161.8 | -69.8 | 171.1 | 0 | 0 | 0 | 105.8 | R150 T154 | R150-L152 PolarHBondContact O-N 3.12Å; L152-T154 VanDerWaalsContact C-N 3.31Å; L152-T154 PolarHBondContact O-N 3.33Å | ||
| 153 | A | 51.8 | Low | 62.3 | Low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 68% | 0.676 | S | S | * | * | trans | -52.6 | 103.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 107 | G151 V155 | G151-A153 PolarHBondContact O-N 2.92Å; A153-V155 PolarHBondContact O-N 3.48Å | ||
| 154 | T | 55.7 | Low | 62.1 | Low | 115 Ų | 115 | 125.9 Ų | 125.9 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | trans | -68.4 | 103.3 | 178.2 | 45.8 | 0 | 0 | 0 | 0 | 105.3 | L152 I156 | L152-T154 VanDerWaalsContact C-N 3.31Å; L152-T154 PolarHBondContact O-N 3.33Å; T154-I156 PolarHBondContact O-N 3.07Å; T154-I156 VanDerWaalsContact O-N 3.12Å | ||
| 155 | V | 60.5 | Low | 61.6 | Low | 126 Ų | 126 | 127.7 Ų | 127.7 | 76% | 0.764 | 68% | 0.677 | S | S | * | * | trans | -47.8 | 123.5 | 160.1 | 178.4 | 0 | 0 | 0 | 0 | 105.6 | A153 E157 | A153-V155 PolarHBondContact O-N 3.48Å; V155-E157 PolarHBondContact O-N 2.98Å | ||
| 156 | I | 59.5 | Low | 61.1 | Low | 169 Ų | 169 | 132.3 Ų | 132.3 | 87% | 0.867 | 68% | 0.682 | S | S | * | * | trans | -62.6 | 92.6 | 179.8 | -60.5 | 171.3 | 0 | 0 | 0 | 106.6 | T154 | T154-I156 PolarHBondContact O-N 3.07Å; T154-I156 VanDerWaalsContact O-N 3.12Å | ||
| 157 | E | 63.1 | Low | 60.5 | Low | 80 Ų | 80 | 133.8 Ų | 133.8 | 37% | 0.374 | 69% | 0.692 | S | S | . | * | trans | -75.9 | 128.5 | 173.9 | -72.6 | -164.8 | 157.1 | 0 | 0 | 108.7 | V155 S159 R165 | V155-E157 PolarHBondContact O-N 2.98Å; E157-S159 PolarHBondContact O-N 3.46Å; E157-R165 IonicContact OE1-CZ 3.8Å; E157-R165 IonicContact OE1-NH1 2.63Å; E157-R165 PolarHBondContact OE1-NH1 3.23Å; E157-R165 IonicContact OE2-NH1 3.42Å; E157-R165 PolarHBondContact OE2-NH1 2.89Å | ||
| 158 | D | 67.5 | Low | 59.9 | Low | 96 Ų | 96 | 139.3 Ų | 139.3 | 51% | 0.513 | 70% | 0.698 | S | S | . | * | trans | -44.3 | 124 | 167.7 | -96.2 | -35.7 | 0 | 0 | 0 | 110.3 | V160 K161 R162 | D158-V160 PolarHBondContact O-N 3.37Å; D158-K161 HydrophobicContact CB-CB 4.09Å; D158-K161 HydrophobicContact CB-CD 4.13Å; D158-K161 HydrophobicContact CB-CG 3.92Å; D158-K161 PolarHBondContact O-N 3.17Å; D158-K161 IonicContact OD2-NZ 3.98Å; D158-R162 PolarHBondContact O-N 3.03Å | ||
| 159 | S | 66.6 | Low | 59.4 | Low | 95 Ų | 95 | 134.8 Ų | 134.8 | 66% | 0.664 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -53 | -31.7 | 176.4 | 62.2 | 0 | 0 | 0 | 0 | 112 | E157 S163 | E157-S159 PolarHBondContact O-N 3.46Å; S159-S163 WeakPolarHBondContact O-CB 3.33Å; S159-S163 PolarHBondContact O-N 3.4Å |
| 160 | V | 66.1 | Low | 59 | Low | 86 Ų | 86 | 136.6 Ų | 136.6 | 52% | 0.521 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -65.3 | -48.5 | 174.9 | -179 | 0 | 0 | 0 | 0 | 111.5 | D158 R162 S163 Q164 | D158-V160 PolarHBondContact O-N 3.37Å; V160-R162 VanDerWaalsContact C-N 3.34Å; V160-S163 PolarHBondContact O-N 3.04Å; V160-S163 PolarHBondContact O-OG 2.96Å; V160-Q164 WeakPolarHBondContact O-CG 3.42Å; V160-Q164 PolarHBondContact O-N 3.19Å |
| 161 | K | 67.6 | Low | 58.8 | Low | 130 Ų | 130 | 133.1 Ų | 133.1 | 57% | 0.565 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.4 | -35.5 | 178.6 | -66.2 | -177.8 | -175 | 170.3 | 0 | 111.5 | D158 Q164 R165 | D158-K161 HydrophobicContact CB-CB 4.09Å; D158-K161 HydrophobicContact CB-CD 4.13Å; D158-K161 HydrophobicContact CB-CG 3.92Å; D158-K161 PolarHBondContact O-N 3.17Å; D158-K161 IonicContact OD2-NZ 3.98Å; K161-Q164 PolarHBondContact O-N 3.42Å; K161-R165 PolarHBondContact O-N 2.85Å |
| 162 | R | 63.9 | Low | 58.7 | Low | 162 Ų | 162 | 138.8 Ų | 138.8 | 61% | 0.611 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -65.4 | -38.9 | 174.3 | -140.5 | 176.1 | -170.4 | -178.5 | 1.3 | 111.9 | D158 V160 Q164 R165 | D158-R162 PolarHBondContact O-N 3.03Å; V160-R162 VanDerWaalsContact C-N 3.34Å; R162-Q164 VanDerWaalsContact C-N 3.3Å; R162-Q164 PolarHBondContact O-N 3.5Å; R162-R165 PolarHBondContact O-N 3.23Å |
| 163 | S | 60.2 | Low | 58.2 | Low | 72 Ų | 72 | 138.9 Ų | 138.9 | 50% | 0.503 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -67.6 | -29 | 176 | 82.2 | 0 | 0 | 0 | 0 | 113.3 | S159 V160 | S159-S163 WeakPolarHBondContact O-CB 3.33Å; S159-S163 PolarHBondContact O-N 3.4Å; V160-S163 PolarHBondContact O-N 3.04Å; V160-S163 PolarHBondContact O-OG 2.96Å |
| 164 | Q | 61.8 | Low | 58 | Low | 153 Ų | 153 | 139.7 Ų | 139.7 | 72% | 0.715 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -76.2 | -27.1 | 175.3 | -70.6 | -178.2 | 9.5 | 0 | 0 | 112.5 | V160 K161 R162 R166 | V160-Q164 WeakPolarHBondContact O-CG 3.42Å; V160-Q164 PolarHBondContact O-N 3.19Å; K161-Q164 PolarHBondContact O-N 3.42Å; R162-Q164 VanDerWaalsContact C-N 3.3Å; R162-Q164 PolarHBondContact O-N 3.5Å; Q164-R166 PolarHBondContact O-N 2.69Å; Q164-R166 VanDerWaalsContact O-N 3.16Å |
| 165 | R | 60.5 | Low | 57.9 | Low | 171 Ų | 171 | 137.3 Ų | 137.3 | 65% | 0.645 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 37.1 | 173.6 | -70.4 | -178.6 | 170 | 168 | -2.5 | 112.9 | E157 K161 R162 P167 | E157-R165 IonicContact OE1-CZ 3.8Å; E157-R165 IonicContact OE1-NH1 2.63Å; E157-R165 PolarHBondContact OE1-NH1 3.23Å; E157-R165 IonicContact OE2-NH1 3.42Å; E157-R165 PolarHBondContact OE2-NH1 2.89Å; K161-R165 PolarHBondContact O-N 2.85Å; R162-R165 PolarHBondContact O-N 3.23Å; R165-P167 WeakPolarHBondContact O-CD 3.35Å |
| 166 | R | 59 | Low | 57.9 | Low | 210 Ų | 210 | 133.4 Ų | 133.4 | 79% | 0.792 | 64% | 0.643 | S | S | * | * | trans | -61.6 | 124.8 | 167.2 | -86.7 | -175.3 | 175.6 | 174.7 | 0.3 | 108 | Q164 R168 | Q164-R166 PolarHBondContact O-N 2.69Å; Q164-R166 VanDerWaalsContact O-N 3.16Å; R166-R168 PolarHBondContact O-N 3.01Å; R166-R168 VanDerWaalsContact O-N 3.17Å | ||
| 167 | P | 57.5 | Low | 58 | Low | 109 Ų | 109 | 129.1 Ų | 129.1 | 71% | 0.708 | 63% | 0.626 | S | S | * | * | trans | -51.3 | 129 | 165.3 | -18.2 | 29.2 | 0 | 0 | 0 | 106.3 | R165 S169 | R165-P167 WeakPolarHBondContact O-CD 3.35Å; P167-S169 VanDerWaalsContact C-N 3.27Å; P167-S169 PolarHBondContact O-N 3.3Å | ||
| 168 | R | 55.8 | Low | 58.2 | Low | 224 Ų | 224 | 126.5 Ų | 126.5 | 85% | 0.845 | 61% | 0.614 | S | S | * | * | trans | -55 | 101.7 | 171 | -86.9 | -178.2 | 164.7 | 177.3 | -3.9 | 105.9 | R166 Y170 | R166-R168 PolarHBondContact O-N 3.01Å; R166-R168 VanDerWaalsContact O-N 3.17Å; R168-Y170 WeakPolarHBondContact O-CD1 3.39Å; R168-Y170 PolarHBondContact O-N 3.13Å | ||
| 169 | S | 53.8 | Low | 57.9 | Low | 88 Ų | 88 | 125.9 Ų | 125.9 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | trans | -60.8 | 113.8 | 173.8 | 51.6 | 0 | 0 | 0 | 0 | 105.4 | P167 K171 | P167-S169 VanDerWaalsContact C-N 3.27Å; P167-S169 PolarHBondContact O-N 3.3Å; S169-K171 PolarHBondContact O-N 3.37Å | ||
| 170 | Y | 48.2 | Very low | 57.9 | Low | 225 Ų | 225 | 129.8 Ų | 129.8 | 88% | 0.882 | 61% | 0.605 | S | S | * | * | trans | -67.1 | 75.4 | 169.2 | 19.8 | -92 | 0 | 0 | 0 | 106.2 | R168 | R168-Y170 WeakPolarHBondContact O-CD1 3.39Å; R168-Y170 PolarHBondContact O-N 3.13Å | ||
| 171 | K | 47.4 | Very low | 58.3 | Low | 166 Ų | 166 | 128.1 Ų | 128.1 | 72% | 0.722 | 59% | 0.591 | S | S | * | * | trans | -100.5 | 122.6 | 172.9 | -83.8 | -161.7 | 174.8 | -169.8 | 0 | 108.5 | S169 | S169-K171 PolarHBondContact O-N 3.37Š| ||
| 172 | K | 49 | Very low | 58.5 | Low | 187 Ų | 187 | 122 Ų | 122 | 81% | 0.813 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 79 | 139.9 | 170.6 | -59.3 | -173.7 | 175.2 | -171.9 | 0 | 114.9 | E174 | K172-E174 WeakPolarHBondContact O-CG 3.43Å; K172-E174 PolarHBondContact O-N 2.94Å |
| 173 | T | 47.1 | Very low | 59 | Low | 156 Ų | 156 | 120.4 Ų | 120.4 | 96% | 0.957 | 56% | 0.563 | S | S | * | * | trans | -54.7 | 72 | 178.2 | -38.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 174 | E | 46.4 | Very low | 59.3 | Low | 114 Ų | 114 | 120.3 Ų | 120.3 | 53% | 0.533 | 56% | 0.559 | S | S | . | * | trans | -82.6 | 141.3 | -174 | -70.9 | -100.9 | 162.2 | 0 | 0 | 108.6 | K172 S176 P177 | K172-E174 WeakPolarHBondContact O-CG 3.43Å; K172-E174 PolarHBondContact O-N 2.94Å; E174-S176 PolarHBondContact O-N 3.11Å; E174-P177 VanDerWaalsContact O-CD 3.25Å; E174-P177 WeakPolarHBondContact O-CD 3.48Å | ||
| 175 | L | 55.1 | Low | 59.9 | Low | 64 Ų | 64 | 116.9 Ų | 116.9 | 34% | 0.335 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -53.1 | 19.2 | 162.5 | -67.6 | 157.1 | 0 | 0 | 0 | 114.1 | I178 R179 L206 | L175-I178 HydrophobicContact CD2-CD1 4.33Å; L175-R179 WeakPolarHBondContact O-CB 3.42Å; L175-R179 WeakPolarHBondContact O-CG 3.47Å; L175-R179 PolarHBondContact O-N 2.63Å; L175-R179 VanDerWaalsContact O-N 3.11Å; L175-L206 HydrophobicContact CD2-CD1 3.79Å |
| 176 | S | 59.7 | Low | 60.7 | Low | 45 Ų | 45 | 111.9 Ų | 111.9 | 32% | 0.315 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.8 | -36.5 | -176.7 | -93.4 | 0 | 0 | 0 | 0 | 115.1 | E174 R179 R180 | E174-S176 PolarHBondContact O-N 3.11Å; S176-R179 PolarHBondContact O-N 3.48Å; S176-R180 WeakPolarHBondContact O-CG 3.46Å; S176-R180 PolarHBondContact O-N 2.93Å; S176-R180 VanDerWaalsContact O-N 3.14Å |
| 177 | P | 62.6 | Low | 61.7 | Low | 79 Ų | 79 | 104.9 Ų | 104.9 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -50.8 | 177.2 | -19.4 | 30.7 | 0 | 0 | 0 | 110.8 | E174 R179 R180 Q181 | E174-P177 VanDerWaalsContact O-CD 3.25Å; E174-P177 WeakPolarHBondContact O-CD 3.48Å; P177-R179 VanDerWaalsContact C-N 3.29Å; P177-R179 PolarHBondContact O-N 3.16Å; P177-R180 WeakPolarHBondContact O-CA 3.34Å; P177-R180 WeakPolarHBondContact O-CB 3.36Å; P177-R180 PolarHBondContact O-N 3.3Å; P177-Q181 WeakPolarHBondContact O-CG 3.33Å; P177-Q181 PolarHBondContact O-N 2.92Å |
| 178 | I | 65.3 | Low | 62.7 | Low | 25 Ų | 25 | 101.2 Ų | 101.2 | 13% | 0.128 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | 179.1 | -63.9 | 152.4 | 0 | 0 | 0 | 110.8 | L175 R180 Q181 I182 L202 L206 V210 | L175-I178 HydrophobicContact CD2-CD1 4.33Å; I178-R180 PolarHBondContact O-N 3.42Å; I178-Q181 PolarHBondContact O-N 3.19Å; I178-Q181 VanDerWaalsContact O-N 3.17Å; I178-I182 HydrophobicContact CG2-CD1 3.44Å; I178-I182 VanDerWaalsContact CG2-CD1 3.44Å; I178-I182 HydrophobicContact CG2-CG1 4.18Å; I178-I182 WeakPolarHBondContact O-CG1 3.49Å; I178-I182 PolarHBondContact O-N 3.44Å; I178-L202 HydrophobicContact CG1-CD1 4.47Å; I178-L202 HydrophobicContact CG1-CD2 3.93Å; I178-L202 HydrophobicContact CG2-CD1 4.26Å; I178-L206 HydrophobicContact CD1-CD2 3.32Å; I178-L206 HydrophobicContact CD1-CG 4.08Å; I178-L206 HydrophobicContact CG1-CD2 4.45Å; I178-V210 HydrophobicContact CG2-CG2 4.12Å |
| 179 | R | 62.7 | Low | 63.8 | Low | 83 Ų | 83 | 98.4 Ų | 98.4 | 31% | 0.313 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -18.5 | 175 | -77.7 | 176.4 | -178.2 | -170.3 | 8.8 | 114.1 | L175 S176 P177 V210 R214 | L175-R179 WeakPolarHBondContact O-CB 3.42Å; L175-R179 WeakPolarHBondContact O-CG 3.47Å; L175-R179 PolarHBondContact O-N 2.63Å; L175-R179 VanDerWaalsContact O-N 3.11Å; S176-R179 PolarHBondContact O-N 3.48Å; P177-R179 VanDerWaalsContact C-N 3.29Å; P177-R179 PolarHBondContact O-N 3.16Å; R179-V210 HydrophobicContact CG-CG1 3.98Å; R179-R214 PolarHBondContact O-NH2 3.14Å |
| 180 | R | 67 | Low | 65.2 | Low | 177 Ų | 177 | 99.2 Ų | 99.2 | 67% | 0.668 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -90.6 | -26 | 173.1 | -70.8 | 175.9 | -173.2 | -168 | 4.8 | 111.9 | S176 P177 I178 F183 | S176-R180 WeakPolarHBondContact O-CG 3.46Å; S176-R180 PolarHBondContact O-N 2.93Å; S176-R180 VanDerWaalsContact O-N 3.14Å; P177-R180 WeakPolarHBondContact O-CA 3.34Å; P177-R180 WeakPolarHBondContact O-CB 3.36Å; P177-R180 PolarHBondContact O-N 3.3Å; I178-R180 PolarHBondContact O-N 3.42Å; R180-F183 WeakPolarHBondContact O-CE2 3.38Å; R180-F183 WeakPolarHBondContact O-CZ 3.41Å |
| 181 | Q | 73.8 | Confident | 66.9 | Low | 50 Ų | 50 | 88.8 Ų | 88.8 | 23% | 0.234 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -82.6 | -40.3 | -178.3 | -71.3 | 169.3 | -33.4 | 0 | 0 | 112.6 | P177 I178 F183 Q186 T195 L202 | P177-Q181 WeakPolarHBondContact O-CG 3.33Å; P177-Q181 PolarHBondContact O-N 2.92Å; I178-Q181 PolarHBondContact O-N 3.19Å; I178-Q181 VanDerWaalsContact O-N 3.17Å; Q181-F183 VanDerWaalsContact O-CD2 3.24Å; Q181-F183 WeakPolarHBondContact O-CD2 3.36Å; Q181-F183 WeakPolarHBondContact O-CE2 3.38Å; Q181-F183 PolarHBondContact O-N 3.31Å; Q181-Q186 PolarHBondContact O-OE1 3.12Å; Q181-T195 HydrophobicContact CG-CG2 4.22Å; Q181-T195 PolarHBondContact NE2-OG1 3.49Å; Q181-L202 HydrophobicContact CB-CD1 4.47Å |
| 182 | I | 72.5 | Confident | 68.7 | Low | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.005 | 43% | 0.428 | C | S | . | . | trans | -77.1 | 128.8 | 177.3 | -55.5 | 165.8 | 0 | 0 | 0 | 107.6 | I178 A191 V207 V210 T211 R214 | I178-I182 HydrophobicContact CG2-CD1 3.44Å; I178-I182 VanDerWaalsContact CG2-CD1 3.44Å; I178-I182 HydrophobicContact CG2-CG1 4.18Å; I178-I182 WeakPolarHBondContact O-CG1 3.49Å; I178-I182 PolarHBondContact O-N 3.44Å; I182-A191 HydrophobicContact CG1-CB 4.33Å; I182-A191 HydrophobicContact CG2-CB 4.36Å; I182-V207 HydrophobicContact CD1-CB 4.08Å; I182-V207 HydrophobicContact CD1-CG1 3.89Å; I182-V207 HydrophobicContact CD1-CG2 3.93Å; I182-V207 HydrophobicContact CG1-CG1 4.34Å; I182-V207 HydrophobicContact CG1-CG2 4.44Å; I182-V210 HydrophobicContact CD1-CB 3.9Å; I182-V210 HydrophobicContact CD1-CG1 3.88Å; I182-V210 HydrophobicContact CD1-CG2 4.46Å; I182-T211 HydrophobicContact CG2-CG2 3.86Å; I182-R214 VanDerWaalsContact C-NH1 3.29Å; I182-R214 PolarHBondContact O-NH1 2.9Å; I182-R214 PolarHBondContact O-NH2 2.74Å | ||
| 183 | F | 74 | Confident | 70.2 | Confident | 130 Ų | 130 | 75.3 Ų | 75.3 | 57% | 0.57 | 41% | 0.408 | S | S | * | . | trans | -114 | 167.6 | 169.1 | -60.8 | -81.3 | 0 | 0 | 0 | 110.2 | R180 Q181 Q186 | R180-F183 WeakPolarHBondContact O-CE2 3.38Å; R180-F183 WeakPolarHBondContact O-CZ 3.41Å; Q181-F183 VanDerWaalsContact O-CD2 3.24Å; Q181-F183 WeakPolarHBondContact O-CD2 3.36Å; Q181-F183 WeakPolarHBondContact O-CE2 3.38Å; Q181-F183 PolarHBondContact O-N 3.31Å; F183-Q186 HydrophobicContact CB-CG 4.35Å | ||
| 184 | T | 66.6 | Low | 71.8 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 42% | 0.423 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 122.6 | -177.9 | 59.1 | 0 | 0 | 0 | 0 | 109.4 | R218 | T184-R218 VanDerWaalsContact CB-CZ 3.41Å; T184-R218 VanDerWaalsContact CB-NH1 3.27Å; T184-R218 PolarHBondContact OG1-NH2 3.03Å |
| 185 | G | 72.8 | Confident | 73.4 | Confident | 82 Ų | 82 | 70.5 Ų | 70.5 | 85% | 0.845 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.1 | -14.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 186 | Q | 78.7 | Confident | 74.3 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | trans | -66.4 | 143.1 | 170.4 | -76.2 | 178.9 | -27.1 | 0 | 0 | 111.2 | Q181 F183 E190 | Q181-Q186 PolarHBondContact O-OE1 3.12Å; F183-Q186 HydrophobicContact CB-CG 4.35Å; Q186-E190 WeakPolarHBondContact CA-OE2 3.37Å; Q186-E190 HydrophobicContact CB-CB 4.28Å; Q186-E190 HydrophobicContact CG-CB 4.47Å | ||
| 187 | T | 78.9 | Confident | 75.3 | Confident | 64 Ų | 64 | 75.2 Ų | 75.2 | 39% | 0.393 | 42% | 0.422 | S | S | . | . | trans | -68.5 | 159.8 | 165.6 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | E189 E190 A191 | T187-E189 PolarHBondContact O-N 3.04Å; T187-E190 WeakPolarHBondContact CG2-OE1 3.36Å; T187-E190 PolarHBondContact N-OE2 3.14Å; T187-E190 PolarHBondContact O-N 3.12Å; T187-E190 WeakPolarHBondContact OG1-CB 3.38Å; T187-E190 WeakPolarHBondContact OG1-CG 3.47Å; T187-E190 PolarHBondContact OG1-N 2.73Å; T187-E190 PolarHBondContact OG1-OE1 3.3Å; T187-A191 WeakPolarHBondContact O-CB 3.46Å; T187-A191 PolarHBondContact O-N 3.47Å | ||
| 188 | L | 78.9 | Confident | 76 | Confident | 32 Ų | 32 | 75.5 Ų | 75.5 | 17% | 0.168 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 178 | -175.7 | 50.1 | 0 | 0 | 0 | 111.1 | A191 C192 V207 L208 F243 | L188-A191 PolarHBondContact O-N 2.86Å; L188-C192 WeakPolarHBondContact O-CB 3.14Å; L188-C192 PolarHBondContact O-N 2.91Å; L188-C192 PolarHBondContact O-SG 3.2Å; L188-V207 HydrophobicContact CD1-CB 3.79Å; L188-V207 HydrophobicContact CD1-CG1 3.37Å; L188-L208 HydrophobicContact CD1-CD2 4.38Å; L188-L208 HydrophobicContact CD1-CG 4.2Å; L188-L208 HydrophobicContact CD2-CD1 4.16Å; L188-L208 HydrophobicContact CD2-CD2 3.79Å; L188-L208 HydrophobicContact CD2-CG 3.92Å; L188-F243 HydrophobicContact CB-CE2 4.36Å; L188-F243 HydrophobicContact CD2-CD1 3.53Å; L188-F243 HydrophobicContact CD2-CD2 3.78Å; L188-F243 HydrophobicContact CD2-CE1 3.17Å; L188-F243 HydrophobicContact CD2-CE2 3.43Å; L188-F243 VanDerWaalsContact CD2-CE2 3.43Å; L188-F243 HydrophobicContact CD2-CG 3.83Å; L188-F243 HydrophobicContact CD2-CZ 3.12Å; L188-F243 HydrophobicContact CG-CD2 4.38Å; L188-F243 HydrophobicContact CG-CE1 4.31Å; L188-F243 HydrophobicContact CG-CE2 3.82Å; L188-F243 HydrophobicContact CG-CZ 3.8Å |
| 189 | E | 78.8 | Confident | 76.5 | Confident | 164 Ų | 164 | 78 Ų | 78 | 77% | 0.766 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.7 | -49.3 | 173.9 | -172.7 | 177.8 | -178.6 | 0 | 0 | 112.2 | T187 A191 C192 A193 | T187-E189 PolarHBondContact O-N 3.04Å; E189-A191 VanDerWaalsContact C-N 3.27Å; E189-A191 PolarHBondContact O-N 2.91Å; E189-C192 PolarHBondContact O-N 2.94Å; E189-C192 VanDerWaalsContact O-N 3.16Å; E189-A193 PolarHBondContact O-N 3.05Å |
| 190 | E | 83.1 | Confident | 77.3 | Confident | 105 Ų | 105 | 77.6 Ų | 77.6 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.5 | -37.9 | 175.4 | -78.1 | 162.3 | -137.2 | 0 | 0 | 112.8 | Q186 T187 | Q186-E190 WeakPolarHBondContact CA-OE2 3.37Å; Q186-E190 HydrophobicContact CB-CB 4.28Å; Q186-E190 HydrophobicContact CG-CB 4.47Å; T187-E190 WeakPolarHBondContact CG2-OE1 3.36Å; T187-E190 PolarHBondContact N-OE2 3.14Å; T187-E190 PolarHBondContact O-N 3.12Å; T187-E190 WeakPolarHBondContact OG1-CB 3.38Å; T187-E190 WeakPolarHBondContact OG1-CG 3.47Å; T187-E190 PolarHBondContact OG1-N 2.73Å; T187-E190 PolarHBondContact OG1-OE1 3.3Å |
| 191 | A | 84.2 | Confident | 78.1 | Confident | 7 Ų | 7 | 73.7 Ų | 73.7 | 6% | 0.058 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -73.5 | -30.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I182 T187 L188 E189 L202 V207 | I182-A191 HydrophobicContact CG1-CB 4.33Å; I182-A191 HydrophobicContact CG2-CB 4.36Å; T187-A191 WeakPolarHBondContact O-CB 3.46Å; T187-A191 PolarHBondContact O-N 3.47Å; L188-A191 PolarHBondContact O-N 2.86Å; E189-A191 VanDerWaalsContact C-N 3.27Å; E189-A191 PolarHBondContact O-N 2.91Å; A191-L202 WeakPolarHBondContact O-CD1 3.24Å; A191-V207 HydrophobicContact CB-CG1 3.56Å; A191-V207 HydrophobicContact CB-CG2 4.46Å |
| 192 | C | 84.4 | Confident | 78.5 | Confident | 22 Ų | 22 | 73 Ų | 73 | 15% | 0.149 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -80.7 | -23 | 175.2 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | L188 E189 P201 L202 | L188-C192 WeakPolarHBondContact O-CB 3.14Å; L188-C192 PolarHBondContact O-N 2.91Å; L188-C192 PolarHBondContact O-SG 3.2Å; E189-C192 PolarHBondContact O-N 2.94Å; E189-C192 VanDerWaalsContact O-N 3.16Å; C192-P201 CarbonylContact O-C 3.53Å; C192-P201 VanDerWaalsContact O-CA 3.24Å; C192-P201 WeakPolarHBondContact O-CA 2.99Å; C192-P201 VanDerWaalsContact O-CB 3.28Å; C192-P201 WeakPolarHBondContact O-CB 3.33Å; C192-L202 PolarHBondContact O-N 3.44Å |
| 193 | A | 82.3 | Confident | 79 | Confident | 48 Ų | 48 | 77.3 Ų | 77.3 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -60.2 | 142.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | E189 T195 | E189-A193 PolarHBondContact O-N 3.05Å; A193-T195 PolarHBondContact O-N 3.12Å |
| 194 | P | 78.9 | Confident | 79.3 | Confident | 77 Ų | 77 | 73.2 Ų | 73.2 | 50% | 0.5 | 47% | 0.472 | S | S | . | . | trans | -65.7 | 131.4 | 179.3 | 28.7 | -35.2 | 0 | 0 | 0 | 110.6 | A196 I199 | P194-A196 VanDerWaalsContact C-N 3.35Å; P194-I199 WeakPolarHBondContact CB-O 3.44Å | ||
| 195 | T | 81.3 | Confident | 80 | Confident | 91 Ų | 91 | 77 Ų | 77 | 56% | 0.558 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -76.6 | -21 | -177.6 | 37.5 | 0 | 0 | 0 | 0 | 113.8 | Q181 A193 | Q181-T195 HydrophobicContact CG-CG2 4.22Å; Q181-T195 PolarHBondContact NE2-OG1 3.49Å; A193-T195 PolarHBondContact O-N 3.12Å |
| 196 | A | 74.8 | Confident | 80.5 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -151.3 | 161 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P194 G198 I199 | P194-A196 VanDerWaalsContact C-N 3.35Å; A196-G198 PolarHBondContact O-N 3.01Å; A196-I199 HydrophobicContact CB-CD1 3.77Å; A196-I199 HydrophobicContact CB-CG1 4.28Å; A196-I199 PolarHBondContact O-N 3.49Å |
| 197 | V | 79.2 | Confident | 80.7 | Confident | 157 Ų | 157 | 72.5 Ų | 72.5 | 95% | 0.952 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 127.3 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | ||
| 198 | G | 78.3 | Confident | 80.8 | Confident | 84 Ų | 84 | 72.1 Ų | 72.1 | 87% | 0.866 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A196 | A196-G198 PolarHBondContact O-N 3.01Š|
| 199 | I | 76.2 | Confident | 80.9 | Confident | 79 Ų | 79 | 72.6 Ų | 72.6 | 41% | 0.405 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -91 | 132.5 | 172.8 | -57.8 | -178.9 | 0 | 0 | 0 | 109 | P194 A196 | P194-I199 WeakPolarHBondContact CB-O 3.44Å; A196-I199 HydrophobicContact CB-CD1 3.77Å; A196-I199 HydrophobicContact CB-CG1 4.28Å; A196-I199 PolarHBondContact O-N 3.49Å |
| 200 | A | 78.6 | Confident | 81 | Confident | 74 Ų | 74 | 65 Ų | 65 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 145.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 201 | P | 82.9 | Confident | 80.9 | Confident | 94 Ų | 94 | 62.1 Ų | 62.1 | 61% | 0.61 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 147.3 | 173.4 | 25.8 | -33.7 | 0 | 0 | 0 | 110.6 | C192 | C192-P201 CarbonylContact O-C 3.53Å; C192-P201 VanDerWaalsContact O-CA 3.24Å; C192-P201 WeakPolarHBondContact O-CA 2.99Å; C192-P201 VanDerWaalsContact O-CB 3.28Å; C192-P201 WeakPolarHBondContact O-CB 3.33Å |
| 202 | L | 83.6 | Confident | 80.7 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 19% | 0.194 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 143.9 | 177.3 | -67 | -179.3 | 0 | 0 | 0 | 110.4 | I178 Q181 A191 C192 S204 V207 | I178-L202 HydrophobicContact CG1-CD1 4.47Å; I178-L202 HydrophobicContact CG1-CD2 3.93Å; I178-L202 HydrophobicContact CG2-CD1 4.26Å; Q181-L202 HydrophobicContact CB-CD1 4.47Å; A191-L202 WeakPolarHBondContact O-CD1 3.24Å; C192-L202 PolarHBondContact O-N 3.44Å; L202-S204 PolarHBondContact O-N 3.31Å; L202-V207 HydrophobicContact CB-CG2 3.87Å; L202-V207 HydrophobicContact CD1-CG2 4.33Å |
| 203 | D | 82.7 | Confident | 80.5 | Confident | 91 Ų | 91 | 71.3 Ų | 71.3 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 126.7 | 173.4 | 176.1 | 17.2 | 0 | 0 | 0 | 110.9 | E205 L206 V207 | D203-E205 VanDerWaalsContact C-N 3.31Å; D203-E205 PolarHBondContact O-N 3.24Å; D203-E205 PolarHBondContact OD1-N 3.01Å; D203-L206 HydrophobicContact CB-CB 4.05Å; D203-L206 WeakPolarHBondContact O-CB 3.43Å; D203-L206 PolarHBondContact O-N 3.05Å; D203-L206 VanDerWaalsContact O-N 3.16Å; D203-V207 WeakPolarHBondContact O-CG2 3.48Å; D203-V207 PolarHBondContact O-N 3.32Å |
| 204 | S | 80.6 | Confident | 80.4 | Confident | 43 Ų | 43 | 71.5 Ų | 71.5 | 30% | 0.301 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | -177.6 | 68.5 | 0 | 0 | 0 | 0 | 112.7 | L202 L206 V207 L208 | L202-S204 PolarHBondContact O-N 3.31Å; S204-L206 VanDerWaalsContact C-N 3.32Å; S204-L206 PolarHBondContact O-N 3.34Å; S204-V207 PolarHBondContact O-N 2.91Å; S204-L208 WeakPolarHBondContact O-CB 3.32Å; S204-L208 VanDerWaalsContact O-CG 3.3Å; S204-L208 WeakPolarHBondContact O-CG 3.46Å; S204-L208 PolarHBondContact O-N 2.92Å |
| 205 | E | 80.9 | Confident | 80.5 | Confident | 149 Ų | 149 | 71.3 Ų | 71.3 | 70% | 0.696 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.3 | -39.7 | 177.8 | -67.6 | -165.8 | 174.8 | 0 | 0 | 110.9 | D203 L208 S209 | D203-E205 VanDerWaalsContact C-N 3.31Å; D203-E205 PolarHBondContact O-N 3.24Å; D203-E205 PolarHBondContact OD1-N 3.01Å; E205-L208 PolarHBondContact O-N 3.47Å; E205-S209 WeakPolarHBondContact O-CB 3.4Å; E205-S209 PolarHBondContact O-N 3.45Å |
| 206 | L | 82.4 | Confident | 80.5 | Confident | 51 Ų | 51 | 69.4 Ų | 69.4 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 177.2 | -168 | 56.4 | 0 | 0 | 0 | 111.3 | L175 I178 D203 S204 S209 V210 | L175-L206 HydrophobicContact CD2-CD1 3.79Å; I178-L206 HydrophobicContact CD1-CD2 3.32Å; I178-L206 HydrophobicContact CD1-CG 4.08Å; I178-L206 HydrophobicContact CG1-CD2 4.45Å; D203-L206 HydrophobicContact CB-CB 4.05Å; D203-L206 WeakPolarHBondContact O-CB 3.43Å; D203-L206 PolarHBondContact O-N 3.05Å; D203-L206 VanDerWaalsContact O-N 3.16Å; S204-L206 VanDerWaalsContact C-N 3.32Å; S204-L206 PolarHBondContact O-N 3.34Å; L206-S209 PolarHBondContact O-N 2.85Å; L206-S209 PolarHBondContact O-OG 3.25Å; L206-V210 WeakPolarHBondContact O-CG2 3.37Å; L206-V210 PolarHBondContact O-N 2.9Å |
| 207 | V | 83.4 | Confident | 80.9 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.006 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 174.1 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | I182 L188 A191 L202 D203 S204 S209 V210 T211 | I182-V207 HydrophobicContact CD1-CB 4.08Å; I182-V207 HydrophobicContact CD1-CG1 3.89Å; I182-V207 HydrophobicContact CD1-CG2 3.93Å; I182-V207 HydrophobicContact CG1-CG1 4.34Å; I182-V207 HydrophobicContact CG1-CG2 4.44Å; L188-V207 HydrophobicContact CD1-CB 3.79Å; L188-V207 HydrophobicContact CD1-CG1 3.37Å; A191-V207 HydrophobicContact CB-CG1 3.56Å; A191-V207 HydrophobicContact CB-CG2 4.46Å; L202-V207 HydrophobicContact CB-CG2 3.87Å; L202-V207 HydrophobicContact CD1-CG2 4.33Å; D203-V207 WeakPolarHBondContact O-CG2 3.48Å; D203-V207 PolarHBondContact O-N 3.32Å; S204-V207 PolarHBondContact O-N 2.91Å; V207-S209 VanDerWaalsContact C-N 3.33Å; V207-S209 PolarHBondContact O-N 3.16Å; V207-V210 PolarHBondContact O-N 3.42Å; V207-T211 HydrophobicContact CG1-CG2 4.31Å; V207-T211 WeakPolarHBondContact O-CB 3.44Å; V207-T211 VanDerWaalsContact O-CG2 3.31Å; V207-T211 WeakPolarHBondContact O-CG2 3.43Å; V207-T211 PolarHBondContact O-N 3.2Å; V207-T211 PolarHBondContact O-OG1 3.03Å |
| 208 | L | 82.3 | Confident | 81.1 | Confident | 57 Ų | 57 | 72.8 Ų | 72.8 | 30% | 0.298 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.8 | -41 | 175.4 | -76 | 172.9 | 0 | 0 | 0 | 112 | L188 S204 E205 V210 T211 R212 F243 | L188-L208 HydrophobicContact CD1-CD2 4.38Å; L188-L208 HydrophobicContact CD1-CG 4.2Å; L188-L208 HydrophobicContact CD2-CD1 4.16Å; L188-L208 HydrophobicContact CD2-CD2 3.79Å; L188-L208 HydrophobicContact CD2-CG 3.92Å; S204-L208 WeakPolarHBondContact O-CB 3.32Å; S204-L208 VanDerWaalsContact O-CG 3.3Å; S204-L208 WeakPolarHBondContact O-CG 3.46Å; S204-L208 PolarHBondContact O-N 2.92Å; E205-L208 PolarHBondContact O-N 3.47Å; L208-V210 PolarHBondContact O-N 2.9Å; L208-T211 VanDerWaalsContact CA-OG1 3.29Å; L208-T211 WeakPolarHBondContact CA-OG1 3.29Å; L208-T211 PolarHBondContact O-OG1 3.17Å; L208-R212 WeakPolarHBondContact O-CB 3.32Å; L208-R212 PolarHBondContact O-N 2.96Å; L208-F243 HydrophobicContact CD1-CE1 4.35Å |
| 209 | S | 80.3 | Confident | 81.3 | Confident | 42 Ų | 42 | 71 Ų | 71 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 177.9 | 83.8 | 0 | 0 | 0 | 0 | 112.2 | E205 L206 V207 K213 | E205-S209 WeakPolarHBondContact O-CB 3.4Å; E205-S209 PolarHBondContact O-N 3.45Å; L206-S209 PolarHBondContact O-N 2.85Å; L206-S209 PolarHBondContact O-OG 3.25Å; V207-S209 VanDerWaalsContact C-N 3.33Å; V207-S209 PolarHBondContact O-N 3.16Å; S209-K213 WeakPolarHBondContact O-CG 3.35Å; S209-K213 PolarHBondContact O-N 3.42Å; S209-K213 VanDerWaalsContact O-N 3.08Å |
| 210 | V | 81.1 | Confident | 81.7 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.024 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.8 | -43.7 | -180 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | I178 R179 I182 L206 V207 L208 K213 R214 | I178-V210 HydrophobicContact CG2-CG2 4.12Å; R179-V210 HydrophobicContact CG-CG1 3.98Å; I182-V210 HydrophobicContact CD1-CB 3.9Å; I182-V210 HydrophobicContact CD1-CG1 3.88Å; I182-V210 HydrophobicContact CD1-CG2 4.46Å; L206-V210 WeakPolarHBondContact O-CG2 3.37Å; L206-V210 PolarHBondContact O-N 2.9Å; V207-V210 PolarHBondContact O-N 3.42Å; L208-V210 PolarHBondContact O-N 2.9Å; V210-K213 PolarHBondContact O-N 2.69Å; V210-R214 WeakPolarHBondContact O-CG 3.41Å; V210-R214 PolarHBondContact O-N 2.67Å; V210-R214 VanDerWaalsContact O-N 3.13Å |
| 211 | T | 80.9 | Confident | 82.2 | Confident | 44 Ų | 44 | 75.1 Ų | 75.1 | 27% | 0.27 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 175.7 | 54 | 0 | 0 | 0 | 0 | 110.8 | I182 V207 L208 K213 R214 V215 | I182-T211 HydrophobicContact CG2-CG2 3.86Å; V207-T211 HydrophobicContact CG1-CG2 4.31Å; V207-T211 WeakPolarHBondContact O-CB 3.44Å; V207-T211 VanDerWaalsContact O-CG2 3.31Å; V207-T211 WeakPolarHBondContact O-CG2 3.43Å; V207-T211 PolarHBondContact O-N 3.2Å; V207-T211 PolarHBondContact O-OG1 3.03Å; L208-T211 VanDerWaalsContact CA-OG1 3.29Å; L208-T211 WeakPolarHBondContact CA-OG1 3.29Å; L208-T211 PolarHBondContact O-OG1 3.17Å; T211-K213 PolarHBondContact O-N 2.98Å; T211-R214 WeakPolarHBondContact O-CA 3.49Å; T211-R214 WeakPolarHBondContact O-CB 3.18Å; T211-R214 PolarHBondContact O-N 3.26Å; T211-V215 WeakPolarHBondContact O-CG2 3.33Å; T211-V215 PolarHBondContact O-N 2.76Å |
| 212 | R | 80.2 | Confident | 82.3 | Confident | 119 Ų | 119 | 71.4 Ų | 71.4 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -54.6 | -48.3 | 173.9 | -173.6 | 177.1 | -175.5 | -173.3 | 3.8 | 112 | L208 R214 V215 I216 | L208-R212 WeakPolarHBondContact O-CB 3.32Å; L208-R212 PolarHBondContact O-N 2.96Å; R212-R214 VanDerWaalsContact C-N 3.27Å; R212-R214 PolarHBondContact O-N 3.4Å; R212-V215 PolarHBondContact O-N 3.16Å; R212-I216 HydrophobicContact CG-CD1 4.04Å; R212-I216 VanDerWaalsContact O-CG1 3.32Å; R212-I216 WeakPolarHBondContact O-CG1 3.31Å; R212-I216 PolarHBondContact O-N 2.92Å |
| 213 | K | 80.1 | Confident | 82.4 | Confident | 104 Ų | 104 | 75.6 Ų | 75.6 | 45% | 0.452 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.7 | -37.5 | 176.1 | -76.6 | 175.9 | -178.7 | 172.9 | 0 | 112.3 | S209 V210 T211 R217 | S209-K213 WeakPolarHBondContact O-CG 3.35Å; S209-K213 PolarHBondContact O-N 3.42Å; S209-K213 VanDerWaalsContact O-N 3.08Å; V210-K213 PolarHBondContact O-N 2.69Å; T211-K213 PolarHBondContact O-N 2.98Å; K213-R217 WeakPolarHBondContact O-CG 3.46Å; K213-R217 PolarHBondContact O-N 2.86Å; K213-R217 VanDerWaalsContact O-N 3.11Å |
| 214 | R | 80.5 | Confident | 82.8 | Confident | 51 Ų | 51 | 79.7 Ų | 79.7 | 19% | 0.192 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71.9 | -41.7 | 177 | -70.8 | 175 | 179.4 | -177.7 | -0.9 | 112.5 | R179 I182 V210 T211 R212 I216 R217 R218 | R179-R214 PolarHBondContact O-NH2 3.14Å; I182-R214 VanDerWaalsContact C-NH1 3.29Å; I182-R214 PolarHBondContact O-NH1 2.9Å; I182-R214 PolarHBondContact O-NH2 2.74Å; V210-R214 WeakPolarHBondContact O-CG 3.41Å; V210-R214 PolarHBondContact O-N 2.67Å; V210-R214 VanDerWaalsContact O-N 3.13Å; T211-R214 WeakPolarHBondContact O-CA 3.49Å; T211-R214 WeakPolarHBondContact O-CB 3.18Å; T211-R214 PolarHBondContact O-N 3.26Å; R212-R214 VanDerWaalsContact C-N 3.27Å; R212-R214 PolarHBondContact O-N 3.4Å; R214-I216 VanDerWaalsContact C-N 3.33Å; R214-R217 PolarHBondContact O-N 3.08Å; R214-R218 WeakPolarHBondContact O-CG 3.36Å; R214-R218 PolarHBondContact O-N 3.17Å |
| 215 | V | 80.4 | Confident | 83.4 | Confident | 73 Ų | 73 | 84 Ų | 84 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.8 | -47.5 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 109.8 | T211 R212 R217 R218 Q219 | T211-V215 WeakPolarHBondContact O-CG2 3.33Å; T211-V215 PolarHBondContact O-N 2.76Å; R212-V215 PolarHBondContact O-N 3.16Å; V215-R217 VanDerWaalsContact C-N 3.34Å; V215-R217 PolarHBondContact O-N 3.26Å; V215-R218 WeakPolarHBondContact O-CB 3.18Å; V215-R218 PolarHBondContact O-N 3.2Å; V215-R218 VanDerWaalsContact O-N 3.16Å; V215-Q219 HydrophobicContact CG1-CG 4.37Å; V215-Q219 WeakPolarHBondContact O-CB 3.4Å; V215-Q219 WeakPolarHBondContact O-CG 3.36Å; V215-Q219 PolarHBondContact O-N 2.76Å |
| 216 | I | 81.5 | Confident | 83.8 | Confident | 52 Ų | 52 | 80.1 Ų | 80.1 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 176.3 | -67.1 | 166.6 | 0 | 0 | 0 | 111.5 | R212 R214 R218 Q219 K220 | R212-I216 HydrophobicContact CG-CD1 4.04Å; R212-I216 VanDerWaalsContact O-CG1 3.32Å; R212-I216 WeakPolarHBondContact O-CG1 3.31Å; R212-I216 PolarHBondContact O-N 2.92Å; R214-I216 VanDerWaalsContact C-N 3.33Å; I216-R218 VanDerWaalsContact C-N 3.35Å; I216-R218 PolarHBondContact O-N 3.06Å; I216-Q219 PolarHBondContact O-N 2.99Å; I216-K220 HydrophobicContact CG2-CD 4.34Å; I216-K220 WeakPolarHBondContact O-CG 3.28Å; I216-K220 PolarHBondContact O-N 3.24Å |
| 217 | R | 83.7 | Confident | 84 | Confident | 149 Ų | 149 | 83.8 Ų | 83.8 | 56% | 0.562 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | 176.9 | -76.5 | 175.6 | -178.8 | -174.2 | -0.3 | 111.9 | K213 R214 V215 K220 L221 | K213-R217 WeakPolarHBondContact O-CG 3.46Å; K213-R217 PolarHBondContact O-N 2.86Å; K213-R217 VanDerWaalsContact O-N 3.11Å; R214-R217 PolarHBondContact O-N 3.08Å; V215-R217 VanDerWaalsContact C-N 3.34Å; V215-R217 PolarHBondContact O-N 3.26Å; R217-K220 PolarHBondContact O-N 3.42Å; R217-L221 WeakPolarHBondContact O-CG 3.44Å; R217-L221 PolarHBondContact O-N 2.96Å |
| 218 | R | 82.4 | Confident | 83.9 | Confident | 130 Ų | 130 | 94.4 Ų | 94.4 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 176 | -75.3 | 172.8 | 167.8 | -168.1 | -14.8 | 111.8 | T184 R214 V215 I216 K220 L221 A222 | T184-R218 VanDerWaalsContact CB-CZ 3.41Å; T184-R218 VanDerWaalsContact CB-NH1 3.27Å; T184-R218 PolarHBondContact OG1-NH2 3.03Å; R214-R218 WeakPolarHBondContact O-CG 3.36Å; R214-R218 PolarHBondContact O-N 3.17Å; V215-R218 WeakPolarHBondContact O-CB 3.18Å; V215-R218 PolarHBondContact O-N 3.2Å; V215-R218 VanDerWaalsContact O-N 3.16Å; I216-R218 VanDerWaalsContact C-N 3.35Å; I216-R218 PolarHBondContact O-N 3.06Å; R218-K220 VanDerWaalsContact C-N 3.32Å; R218-K220 PolarHBondContact O-N 3.44Å; R218-L221 PolarHBondContact O-N 2.99Å; R218-L221 VanDerWaalsContact O-N 3.17Å; R218-A222 WeakPolarHBondContact O-CB 3.4Å; R218-A222 PolarHBondContact O-N 2.83Å |
| 219 | Q | 82.6 | Confident | 83.4 | Confident | 48 Ų | 48 | 92.8 Ų | 92.8 | 22% | 0.224 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 173.1 | -73.5 | 170.8 | -11.1 | 0 | 0 | 111.3 | V215 I216 L221 A222 K223 I230 | V215-Q219 HydrophobicContact CG1-CG 4.37Å; V215-Q219 WeakPolarHBondContact O-CB 3.4Å; V215-Q219 WeakPolarHBondContact O-CG 3.36Å; V215-Q219 PolarHBondContact O-N 2.76Å; I216-Q219 PolarHBondContact O-N 2.99Å; Q219-L221 PolarHBondContact O-N 3.4Å; Q219-A222 PolarHBondContact O-N 3.29Å; Q219-K223 WeakPolarHBondContact O-CG 3.41Å; Q219-K223 PolarHBondContact O-N 3.34Å; Q219-I230 HydrophobicContact CB-CD1 3.93Å; Q219-I230 HydrophobicContact CG-CD1 3.33Å |
| 220 | K | 85.3 | Confident | 83.1 | Confident | 136 Ų | 136 | 94.4 Ų | 94.4 | 59% | 0.591 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 175.6 | -72.8 | -179.9 | -179.1 | -175 | 0 | 112.6 | I216 R217 R218 K224 | I216-K220 HydrophobicContact CG2-CD 4.34Å; I216-K220 WeakPolarHBondContact O-CG 3.28Å; I216-K220 PolarHBondContact O-N 3.24Å; R217-K220 PolarHBondContact O-N 3.42Å; R218-K220 VanDerWaalsContact C-N 3.32Å; R218-K220 PolarHBondContact O-N 3.44Å; K220-K224 WeakPolarHBondContact O-CG 3.35Å; K220-K224 PolarHBondContact O-N 3.05Å; K220-K224 VanDerWaalsContact O-N 3.12Å |
| 221 | L | 88.6 | Confident | 82.8 | Confident | 103 Ų | 103 | 98.2 Ų | 98.2 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 176.2 | -72.5 | 173.1 | 0 | 0 | 0 | 112.1 | R217 R218 Q219 K223 K224 L225 | R217-L221 WeakPolarHBondContact O-CG 3.44Å; R217-L221 PolarHBondContact O-N 2.96Å; R218-L221 PolarHBondContact O-N 2.99Å; R218-L221 VanDerWaalsContact O-N 3.17Å; Q219-L221 PolarHBondContact O-N 3.4Å; L221-K223 PolarHBondContact O-N 2.98Å; L221-K224 WeakPolarHBondContact O-CB 3.24Å; L221-K224 PolarHBondContact O-N 3.16Å; L221-K224 VanDerWaalsContact O-N 3.13Å; L221-L225 WeakPolarHBondContact O-CG 3.45Å; L221-L225 PolarHBondContact O-N 3.37Å |
| 222 | A | 85.3 | Confident | 82.5 | Confident | 16 Ų | 16 | 101.3 Ų | 101.3 | 13% | 0.132 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R218 Q219 K224 L225 G226 F227 I230 | R218-A222 WeakPolarHBondContact O-CB 3.4Å; R218-A222 PolarHBondContact O-N 2.83Å; Q219-A222 PolarHBondContact O-N 3.29Å; A222-K224 VanDerWaalsContact C-N 3.33Å; A222-K224 PolarHBondContact O-N 3.37Å; A222-L225 CarbonylContact O-C 3.57Å; A222-L225 PolarHBondContact O-N 2.88Å; A222-L225 VanDerWaalsContact O-N 3.09Å; A222-G226 PolarHBondContact O-N 3.2Å; A222-G226 VanDerWaalsContact O-N 3.15Å; A222-F227 HydrophobicContact CB-CB 4.02Å; A222-F227 HydrophobicContact CB-CD2 3.96Å; A222-F227 HydrophobicContact CB-CG 4.26Å; A222-F227 WeakPolarHBondContact O-CB 3.3Å; A222-F227 WeakPolarHBondContact O-CD2 3.39Å; A222-F227 PolarHBondContact O-N 3.04Å; A222-I230 HydrophobicContact CB-CD1 4.01Å; A222-I230 HydrophobicContact CB-CG1 4.38Å |
| 223 | K | 86 | Confident | 82.4 | Confident | 125 Ų | 125 | 98.6 Ų | 98.6 | 54% | 0.543 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.8 | -43.7 | 172.2 | -74 | -176.6 | 178.8 | -173.5 | 0 | 112.2 | Q219 L221 L225 G226 | Q219-K223 WeakPolarHBondContact O-CG 3.41Å; Q219-K223 PolarHBondContact O-N 3.34Å; L221-K223 PolarHBondContact O-N 2.98Å; K223-L225 VanDerWaalsContact C-N 3.25Å; K223-L225 PolarHBondContact O-N 3.47Å; K223-G226 PolarHBondContact O-N 3.28Å; K223-G226 VanDerWaalsContact O-N 3.13Å |
| 224 | K | 90.7 | Very high | 82.4 | Confident | 177 Ų | 177 | 100.9 Ų | 100.9 | 77% | 0.77 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.7 | -29.6 | 176.4 | -76 | -179.7 | 178.7 | -171.1 | 0 | 113.4 | K220 L221 A222 G226 | K220-K224 WeakPolarHBondContact O-CG 3.35Å; K220-K224 PolarHBondContact O-N 3.05Å; K220-K224 VanDerWaalsContact O-N 3.12Å; L221-K224 WeakPolarHBondContact O-CB 3.24Å; L221-K224 PolarHBondContact O-N 3.16Å; L221-K224 VanDerWaalsContact O-N 3.13Å; A222-K224 VanDerWaalsContact C-N 3.33Å; A222-K224 PolarHBondContact O-N 3.37Å; K224-G226 VanDerWaalsContact C-N 3.32Å |
| 225 | L | 92 | Very high | 82.2 | Confident | 134 Ų | 134 | 105 Ų | 105 | 70% | 0.702 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 0.4 | 177.3 | -66.8 | 172.1 | 0 | 0 | 0 | 113.1 | L221 A222 K223 F227 | L221-L225 WeakPolarHBondContact O-CG 3.45Å; L221-L225 PolarHBondContact O-N 3.37Å; A222-L225 CarbonylContact O-C 3.57Å; A222-L225 PolarHBondContact O-N 2.88Å; A222-L225 VanDerWaalsContact O-N 3.09Å; K223-L225 VanDerWaalsContact C-N 3.25Å; K223-L225 PolarHBondContact O-N 3.47Å; L225-F227 HydrophobicContact CB-CD2 3.85Å; L225-F227 HydrophobicContact CB-CE2 3.84Å; L225-F227 HydrophobicContact CD1-CE2 4.21Å |
| 226 | G | 90.4 | Very high | 81.8 | Confident | 67 Ų | 67 | 105.2 Ų | 105.2 | 69% | 0.691 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | 12.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | A222 K223 K224 R228 | A222-G226 PolarHBondContact O-N 3.2Å; A222-G226 VanDerWaalsContact O-N 3.15Å; K223-G226 PolarHBondContact O-N 3.28Å; K223-G226 VanDerWaalsContact O-N 3.13Å; K224-G226 VanDerWaalsContact C-N 3.32Å; G226-R228 PolarHBondContact O-N 2.74Å |
| 227 | F | 86 | Confident | 81.4 | Confident | 127 Ų | 127 | 108.9 Ų | 108.9 | 56% | 0.557 | 54% | 0.535 | S | S | * | . | trans | -70.3 | 130.7 | 173.9 | -68.9 | -85.9 | 0 | 0 | 0 | 111 | A222 L225 | A222-F227 HydrophobicContact CB-CB 4.02Å; A222-F227 HydrophobicContact CB-CD2 3.96Å; A222-F227 HydrophobicContact CB-CG 4.26Å; A222-F227 WeakPolarHBondContact O-CB 3.3Å; A222-F227 WeakPolarHBondContact O-CD2 3.39Å; A222-F227 PolarHBondContact O-N 3.04Å; L225-F227 HydrophobicContact CB-CD2 3.85Å; L225-F227 HydrophobicContact CB-CE2 3.84Å; L225-F227 HydrophobicContact CD1-CE2 4.21Å | ||
| 228 | R | 82.1 | Confident | 81 | Confident | 225 Ų | 225 | 106.1 Ų | 106.1 | 85% | 0.849 | 53% | 0.528 | S | S | * | . | trans | -65.8 | -35.7 | -180 | -174.5 | 176.6 | 177.9 | -176.4 | -1.2 | 113 | G226 | G226-R228 PolarHBondContact O-N 2.74Š| ||
| 229 | G | 72.4 | Confident | 80.6 | Confident | 23 Ų | 23 | 103.8 Ų | 103.8 | 24% | 0.237 | 53% | 0.526 | C | S | . | . | trans | -166.9 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 230 | I | 73.1 | Confident | 80 | Confident | 75 Ų | 75 | 106.8 Ų | 106.8 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | trans | -120 | 122.3 | 172.3 | -73.3 | 156.9 | 0 | 0 | 0 | 106.5 | Q219 A222 | Q219-I230 HydrophobicContact CB-CD1 3.93Å; Q219-I230 HydrophobicContact CG-CD1 3.33Å; A222-I230 HydrophobicContact CB-CD1 4.01Å; A222-I230 HydrophobicContact CB-CG1 4.38Å | ||
| 231 | S | 75 | Confident | 79.4 | Confident | 84 Ų | 84 | 103.1 Ų | 103.1 | 59% | 0.587 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 141.2 | 170.1 | 51.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 232 | I | 75.4 | Confident | 78.9 | Confident | 110 Ų | 110 | 104 Ų | 104 | 56% | 0.564 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -103.5 | 138.2 | 169.9 | -60.2 | 173.6 | 0 | 0 | 0 | 106.1 | T236 | I232-T236 HydrophobicContact CG2-CG2 4.06Š|
| 233 | S | 77.6 | Confident | 78 | Confident | 61 Ų | 61 | 106 Ų | 106 | 43% | 0.427 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 142.7 | 178.1 | 86.1 | 0 | 0 | 0 | 0 | 110 | Q235 T236 E237 | S233-Q235 PolarHBondContact O-N 3.11Å; S233-T236 WeakPolarHBondContact O-CA 3.25Å; S233-T236 WeakPolarHBondContact O-CB 3.39Å; S233-T236 PolarHBondContact O-N 2.9Å; S233-T236 PolarHBondContact OG-N 3.17Å; S233-T236 PolarHBondContact OG-OG1 3.31Å; S233-E237 PolarHBondContact O-N 2.94Å |
| 234 | K | 79.2 | Confident | 77 | Confident | 153 Ų | 153 | 103.8 Ų | 103.8 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -53.5 | -39.5 | 177.9 | -172.2 | 178.9 | 178.7 | -177.2 | 0 | 112.3 | T236 E237 E238 | K234-T236 VanDerWaalsContact C-N 3.3Å; K234-T236 PolarHBondContact O-N 3.09Å; K234-E237 WeakPolarHBondContact O-CB 3.36Å; K234-E237 PolarHBondContact O-N 3.48Å; K234-E238 WeakPolarHBondContact CE-OE1 3.43Å; K234-E238 WeakPolarHBondContact O-CG 3.42Å; K234-E238 PolarHBondContact O-N 3.49Å |
| 235 | Q | 77.6 | Confident | 76.1 | Confident | 136 Ų | 136 | 98.4 Ų | 98.4 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -37.9 | 176.2 | -172.4 | 178.8 | 15 | 0 | 0 | 112.6 | S233 N239 | S233-Q235 PolarHBondContact O-N 3.11Å; Q235-N239 WeakPolarHBondContact O-CB 3.37Å; Q235-N239 PolarHBondContact O-N 2.66Å; Q235-N239 VanDerWaalsContact O-N 3.08Å; Q235-N239 PolarHBondContact O-ND2 2.86Å |
| 236 | T | 70.9 | Confident | 74.8 | Confident | 78 Ų | 78 | 97.6 Ų | 97.6 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | 177 | -50.7 | 0 | 0 | 0 | 0 | 111.5 | I232 S233 K234 F240 | I232-T236 HydrophobicContact CG2-CG2 4.06Å; S233-T236 WeakPolarHBondContact O-CA 3.25Å; S233-T236 WeakPolarHBondContact O-CB 3.39Å; S233-T236 PolarHBondContact O-N 2.9Å; S233-T236 PolarHBondContact OG-N 3.17Å; S233-T236 PolarHBondContact OG-OG1 3.31Å; K234-T236 VanDerWaalsContact C-N 3.3Å; K234-T236 PolarHBondContact O-N 3.09Å; T236-F240 WeakPolarHBondContact O-CB 3.16Å; T236-F240 PolarHBondContact O-N 3.21Å |
| 237 | E | 72.9 | Confident | 73.3 | Confident | 130 Ų | 130 | 96.8 Ų | 96.8 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.8 | -46.7 | 177.4 | -175.1 | 174.4 | -163 | 0 | 0 | 111.7 | S233 K234 N239 F240 A241 | S233-E237 PolarHBondContact O-N 2.94Å; K234-E237 WeakPolarHBondContact O-CB 3.36Å; K234-E237 PolarHBondContact O-N 3.48Å; E237-N239 VanDerWaalsContact C-N 3.34Å; E237-N239 PolarHBondContact O-N 3.19Å; E237-F240 PolarHBondContact O-N 2.61Å; E237-F240 VanDerWaalsContact O-N 3.17Å; E237-A241 PolarHBondContact O-N 2.74Å |
| 238 | E | 76.8 | Confident | 71.8 | Confident | 90 Ų | 90 | 96 Ų | 96 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 175.5 | -71.6 | 173 | -169.2 | 0 | 0 | 112 | K234 F240 A241 K242 | K234-E238 WeakPolarHBondContact CE-OE1 3.43Å; K234-E238 WeakPolarHBondContact O-CG 3.42Å; K234-E238 PolarHBondContact O-N 3.49Å; E238-F240 VanDerWaalsContact C-N 3.33Å; E238-F240 PolarHBondContact O-N 2.96Å; E238-A241 PolarHBondContact O-N 3.17Å; E238-K242 WeakPolarHBondContact O-CG 3.21Å; E238-K242 PolarHBondContact O-N 3.35Å |
| 239 | N | 74 | Confident | 70.5 | Confident | 81 Ų | 81 | 90.4 Ų | 90.4 | 43% | 0.433 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 177.1 | -73.6 | -11.5 | 0 | 0 | 0 | 112.4 | Q235 E237 K242 F243 | Q235-N239 WeakPolarHBondContact O-CB 3.37Å; Q235-N239 PolarHBondContact O-N 2.66Å; Q235-N239 VanDerWaalsContact O-N 3.08Å; Q235-N239 PolarHBondContact O-ND2 2.86Å; E237-N239 VanDerWaalsContact C-N 3.34Å; E237-N239 PolarHBondContact O-N 3.19Å; N239-K242 PolarHBondContact O-N 3.13Å; N239-F243 PolarHBondContact O-N 3.21Å |
| 240 | F | 68.9 | Low | 69.5 | Low | 112 Ų | 112 | 95.3 Ų | 95.3 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 176.8 | -173.5 | -104.5 | 0 | 0 | 0 | 111.8 | T236 E237 E238 F243 L244 | T236-F240 WeakPolarHBondContact O-CB 3.16Å; T236-F240 PolarHBondContact O-N 3.21Å; E237-F240 PolarHBondContact O-N 2.61Å; E237-F240 VanDerWaalsContact O-N 3.17Å; E238-F240 VanDerWaalsContact C-N 3.33Å; E238-F240 PolarHBondContact O-N 2.96Å; F240-F243 PolarHBondContact O-N 3.38Å; F240-L244 HydrophobicContact CD1-CD1 3.87Å; F240-L244 HydrophobicContact CD1-CG 4.44Å; F240-L244 HydrophobicContact CE1-CD1 3.36Å; F240-L244 HydrophobicContact CE1-CG 4.08Å; F240-L244 HydrophobicContact CZ-CD1 3.83Å; F240-L244 HydrophobicContact CZ-CD2 4.35Å; F240-L244 HydrophobicContact CZ-CG 4.17Å; F240-L244 PolarHBondContact O-N 3.21Å |
| 241 | A | 73.7 | Confident | 68.4 | Low | 58 Ų | 58 | 95.5 Ų | 95.5 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E237 E238 F243 L244 S245 | E237-A241 PolarHBondContact O-N 2.74Å; E238-A241 PolarHBondContact O-N 3.17Å; A241-F243 VanDerWaalsContact C-N 3.34Å; A241-F243 PolarHBondContact O-N 3.18Å; A241-L244 PolarHBondContact O-N 3.29Å; A241-S245 PolarHBondContact O-N 3.31Å; A241-S245 VanDerWaalsContact O-N 3.12Å; A241-S245 PolarHBondContact O-OG 3.11Å |
| 242 | K | 77.7 | Confident | 67.2 | Low | 123 Ų | 123 | 95.7 Ų | 95.7 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 173.2 | -71.7 | 176.1 | -175.9 | 177.7 | 0 | 112.2 | E238 N239 S245 Q246 | E238-K242 WeakPolarHBondContact O-CG 3.21Å; E238-K242 PolarHBondContact O-N 3.35Å; N239-K242 PolarHBondContact O-N 3.13Å; K242-S245 WeakPolarHBondContact CA-OG 3.41Å; K242-S245 PolarHBondContact O-N 3.48Å; K242-S245 PolarHBondContact O-OG 3.27Å; K242-Q246 WeakPolarHBondContact O-CG 3.37Å; K242-Q246 PolarHBondContact O-N 3.32Å; K242-Q246 VanDerWaalsContact O-N 3.14Å |
| 243 | F | 66.1 | Low | 65.8 | Low | 57 Ų | 57 | 97.6 Ų | 97.6 | 25% | 0.25 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -66.9 | -44 | 179.6 | -170.8 | -90.3 | 0 | 0 | 0 | 112.4 | L188 L208 N239 F240 A241 S245 Q246 S247 | L188-F243 HydrophobicContact CB-CE2 4.36Å; L188-F243 HydrophobicContact CD2-CD1 3.53Å; L188-F243 HydrophobicContact CD2-CD2 3.78Å; L188-F243 HydrophobicContact CD2-CE1 3.17Å; L188-F243 HydrophobicContact CD2-CE2 3.43Å; L188-F243 VanDerWaalsContact CD2-CE2 3.43Å; L188-F243 HydrophobicContact CD2-CG 3.83Å; L188-F243 HydrophobicContact CD2-CZ 3.12Å; L188-F243 HydrophobicContact CG-CD2 4.38Å; L188-F243 HydrophobicContact CG-CE1 4.31Å; L188-F243 HydrophobicContact CG-CE2 3.82Å; L188-F243 HydrophobicContact CG-CZ 3.8Å; L208-F243 HydrophobicContact CD1-CE1 4.35Å; N239-F243 PolarHBondContact O-N 3.21Å; F240-F243 PolarHBondContact O-N 3.38Å; A241-F243 VanDerWaalsContact C-N 3.34Å; A241-F243 PolarHBondContact O-N 3.18Å; F243-S245 VanDerWaalsContact C-N 3.31Å; F243-S245 PolarHBondContact O-N 2.72Å; F243-Q246 PolarHBondContact O-N 2.77Å; F243-S247 PolarHBondContact O-N 2.9Å |
| 244 | L | 64.6 | Low | 64.3 | Low | 78 Ų | 78 | 99.6 Ų | 99.6 | 41% | 0.408 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.9 | -32.3 | 178.1 | -72.3 | 177.3 | 0 | 0 | 0 | 113.2 | F240 A241 S247 N248 | F240-L244 HydrophobicContact CD1-CD1 3.87Å; F240-L244 HydrophobicContact CD1-CG 4.44Å; F240-L244 HydrophobicContact CE1-CD1 3.36Å; F240-L244 HydrophobicContact CE1-CG 4.08Å; F240-L244 HydrophobicContact CZ-CD1 3.83Å; F240-L244 HydrophobicContact CZ-CD2 4.35Å; F240-L244 HydrophobicContact CZ-CG 4.17Å; F240-L244 PolarHBondContact O-N 3.21Å; A241-L244 PolarHBondContact O-N 3.29Å; L244-S247 PolarHBondContact O-OG 3.39Å; L244-N248 PolarHBondContact O-ND2 2.97Å |
| 245 | S | 71.4 | Confident | 62.7 | Low | 64 Ų | 64 | 97.4 Ų | 97.4 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.9 | -35.8 | 174.6 | 44.1 | 0 | 0 | 0 | 0 | 111.9 | A241 K242 F243 | A241-S245 PolarHBondContact O-N 3.31Å; A241-S245 VanDerWaalsContact O-N 3.12Å; A241-S245 PolarHBondContact O-OG 3.11Å; K242-S245 WeakPolarHBondContact CA-OG 3.41Å; K242-S245 PolarHBondContact O-N 3.48Å; K242-S245 PolarHBondContact O-OG 3.27Å; F243-S245 VanDerWaalsContact C-N 3.31Å; F243-S245 PolarHBondContact O-N 2.72Å |
| 246 | Q | 65.1 | Low | 61 | Low | 117 Ų | 117 | 96.1 Ų | 96.1 | 55% | 0.547 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.8 | -36.6 | 176.1 | -72.2 | 177.7 | -5.2 | 0 | 0 | 113.5 | K242 F243 N248 L249 N250 | K242-Q246 WeakPolarHBondContact O-CG 3.37Å; K242-Q246 PolarHBondContact O-N 3.32Å; K242-Q246 VanDerWaalsContact O-N 3.14Å; F243-Q246 PolarHBondContact O-N 2.77Å; Q246-N248 PolarHBondContact O-N 3.42Å; Q246-L249 PolarHBondContact O-N 3.39Å; Q246-L249 VanDerWaalsContact O-N 3.13Å; Q246-N250 PolarHBondContact O-N 3.47Å |
| 247 | S | 58.5 | Low | 59.4 | Low | 50 Ų | 50 | 97.4 Ų | 97.4 | 35% | 0.35 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.8 | -32.2 | 178.6 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | F243 L244 L249 | F243-S247 PolarHBondContact O-N 2.9Å; L244-S247 PolarHBondContact O-OG 3.39Å; S247-L249 VanDerWaalsContact C-N 3.3Å; S247-L249 PolarHBondContact O-N 3.15Å |
| 248 | N | 55.6 | Low | 57.9 | Low | 110 Ų | 110 | 96.7 Ų | 96.7 | 59% | 0.588 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74 | -21 | 178.1 | -67.6 | -16.3 | 0 | 0 | 0 | 113.2 | L244 Q246 S251 | L244-N248 PolarHBondContact O-ND2 2.97Å; Q246-N248 PolarHBondContact O-N 3.42Å; N248-S251 PolarHBondContact O-OG 3.11Å |
| 249 | L | 53.8 | Low | 56 | Low | 109 Ų | 109 | 103.1 Ų | 103.1 | 57% | 0.571 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -83.2 | -32.9 | 176.9 | -65.2 | 170.3 | 0 | 0 | 0 | 111.4 | Q246 S247 S251 S252 H253 | Q246-L249 PolarHBondContact O-N 3.39Å; Q246-L249 VanDerWaalsContact O-N 3.13Å; S247-L249 VanDerWaalsContact C-N 3.3Å; S247-L249 PolarHBondContact O-N 3.15Å; L249-S251 VanDerWaalsContact C-N 3.35Å; L249-S251 PolarHBondContact O-N 3.39Å; L249-S252 PolarHBondContact O-N 3.35Å; L249-H253 PolarHBondContact O-CD2 3.19Å |
| 250 | N | 51.3 | Low | 55.1 | Low | 126 Ų | 126 | 104.2 Ų | 104.2 | 67% | 0.674 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76.7 | -17.9 | -179.5 | -73.3 | -5 | 0 | 0 | 0 | 113.8 | Q246 S252 | Q246-N250 PolarHBondContact O-N 3.47Å; N250-S252 VanDerWaalsContact C-N 3.32Å |
| 251 | S | 50.4 | Low | 54.4 | Low | 78 Ų | 78 | 103.8 Ų | 103.8 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.6 | -14 | 173.5 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | N248 L249 | N248-S251 PolarHBondContact O-OG 3.11Å; L249-S251 VanDerWaalsContact C-N 3.35Å; L249-S251 PolarHBondContact O-N 3.39Å |
| 252 | S | 49.1 | Very low | 53.3 | Low | 88 Ų | 88 | 106.3 Ų | 106.3 | 62% | 0.615 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -97.5 | -4.4 | -174.3 | -59.7 | 0 | 0 | 0 | 0 | 114.3 | L249 N250 | L249-S252 PolarHBondContact O-N 3.35Å; N250-S252 VanDerWaalsContact C-N 3.32Å |
| 253 | H | 46.6 | Very low | 51.9 | Low | 151 Ų | 151 | 105.4 Ų | 105.4 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -106.1 | 3 | -176.4 | -73.4 | -55.2 | 0 | 0 | 0 | 115.2 | L249 | L249-H253 PolarHBondContact O-CD2 3.19Š|
| 254 | S | 47 | Very low | 51 | Low | 102 Ų | 102 | 108.4 Ų | 108.4 | 71% | 0.713 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -99.7 | 13.5 | -177.8 | 39.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 255 | S | 45.1 | Very low | 50.1 | Low | 108 Ų | 108 | 110.4 Ų | 110.4 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -112.2 | 12.4 | -176.6 | -44.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 256 | S | 41 | Very low | 48.5 | Very low | 108 Ų | 108 | 113.7 Ų | 113.7 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | trans | -127.6 | 72.7 | 179.9 | 63.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 257 | A | 37.6 | Very low | 47.3 | Very low | 105 Ų | 105 | 113.5 Ų | 113.5 | 87% | 0.868 | 72% | 0.716 | S | S | * | * | trans | -149.5 | 77.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 258 | S | 41.2 | Very low | 46.3 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -146.9 | 104 | 164.5 | 54.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 259 | V | 37.3 | Very low | 45.5 | Very low | 225 Ų | 225 | 119.5 Ų | 119.5 | 100% | 1.364 | 76% | 0.76 | S | S | * | * | trans | -111.8 | 0 | 156 | 178.8 | 0 | 0 | 0 | 0 | 105.8 |
Retrieved 259 of 259 residues in 117.2 ms
(Link to these results)