| 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 | 39.6 | Very low | 56.1 | Low | 239 Ų | 239 | 142.8 Ų | 142.8 | 100% | 1.177 | 79% | 0.787 | S | S | * | * | 0 | 101.6 | 0 | -73.8 | -173.8 | -168.8 | 0 | 0 | 104.8 | |||||
| 2 | D | 42.6 | Very low | 56.8 | Low | 163 Ų | 163 | 143.5 Ų | 143.5 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -105.5 | 123 | 177.3 | -61 | -70.1 | 0 | 0 | 0 | 106.9 | L4 | D2-L4 PolarHBondContact O-N 3.12Š| ||
| 3 | A | 45.5 | Very low | 56.9 | Low | 93 Ų | 93 | 143.6 Ų | 143.6 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -79.8 | 112.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V5 | A3-V5 PolarHBondContact O-N 2.91Š| ||
| 4 | L | 53.4 | Low | 56.8 | Low | 142 Ų | 142 | 144.4 Ų | 144.4 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -60.7 | 120.6 | 153.7 | -87.8 | 161.2 | 0 | 0 | 0 | 107.4 | D2 | D2-L4 PolarHBondContact O-N 3.12Š| ||
| 5 | V | 54.7 | Low | 56.5 | Low | 124 Ų | 124 | 146.7 Ų | 146.7 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -96.7 | 88.2 | 167.7 | 178.6 | 0 | 0 | 0 | 0 | 105.5 | A3 D7 | A3-V5 PolarHBondContact O-N 2.91Å; V5-D7 PolarHBondContact O-N 2.84Å | ||
| 6 | E | 53.2 | Low | 56.4 | Low | 128 Ų | 128 | 149.9 Ų | 149.9 | 60% | 0.598 | 79% | 0.79 | S | S | * | * | trans | -60.4 | 113.8 | 165.9 | -91 | 69.4 | -127.3 | 0 | 0 | 109 | D8 | E6-D8 PolarHBondContact O-N 3.39Å; E6-D8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | D | 58.1 | Low | 56.2 | Low | 142 Ų | 142 | 145.8 Ų | 145.8 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -84.8 | 77.9 | -176 | -158.8 | 26.5 | 0 | 0 | 0 | 109.7 | V5 I9 | V5-D7 PolarHBondContact O-N 2.84Å; D7-I9 PolarHBondContact O-N 2.62Å | ||
| 8 | D | 71.9 | Confident | 55.9 | Low | 141 Ų | 141 | 148.1 Ų | 148.1 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -66.3 | 89.7 | -171 | -95.6 | -23 | 0 | 0 | 0 | 113.4 | E6 C10 | E6-D8 PolarHBondContact O-N 3.39Å; E6-D8 VanDerWaalsContact O-N 3.08Å; D8-C10 PolarHBondContact O-N 2.9Å | ||
| 9 | I | 64.3 | Low | 55.5 | Low | 144 Ų | 144 | 151.2 Ų | 151.2 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -67.6 | 93.6 | 176.4 | -54.2 | -179.7 | 0 | 0 | 0 | 110.6 | D7 I11 | D7-I9 PolarHBondContact O-N 2.62Å; I9-I11 PolarHBondContact O-N 3.28Å | ||
| 10 | C | 69.2 | Low | 55.2 | Low | 118 Ų | 118 | 155.1 Ų | 155.1 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -67.3 | 96.9 | 177.1 | -69.4 | 0 | 0 | 0 | 0 | 112 | D8 L12 | D8-C10 PolarHBondContact O-N 2.9Å; C10-L12 PolarHBondContact O-N 3.25Å; C10-L12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | I | 64.8 | Low | 54.7 | Low | 137 Ų | 137 | 154.7 Ų | 154.7 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | trans | -68 | 108.3 | 177.7 | -57.7 | 179.1 | 0 | 0 | 0 | 110.3 | I9 N13 | I9-I11 PolarHBondContact O-N 3.28Å; I11-N13 PolarHBondContact O-N 3.29Å; I11-N13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | L | 64.9 | Low | 55.1 | Low | 151 Ų | 151 | 149.4 Ų | 149.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -76.2 | 100.5 | -177.8 | -168.6 | 77.4 | 0 | 0 | 0 | 111.9 | C10 H14 | C10-L12 PolarHBondContact O-N 3.25Å; C10-L12 VanDerWaalsContact O-N 3.12Å; L12-H14 PolarHBondContact O-CE1 3.48Å; L12-H14 PolarHBondContact O-N 3.33Å; L12-H14 PolarHBondContact O-ND1 2.85Å | ||
| 13 | N | 57.7 | Low | 55.3 | Low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -53.6 | 120.4 | 179.6 | -76 | -52.8 | 0 | 0 | 0 | 113.2 | I11 E15 | I11-N13 PolarHBondContact O-N 3.29Å; I11-N13 VanDerWaalsContact O-N 3.15Å; N13-E15 VanDerWaalsContact C-N 3.29Å; N13-E15 PolarHBondContact O-N 2.83Å | ||
| 14 | H | 54.9 | Low | 55.2 | Low | 154 Ų | 154 | 147.3 Ų | 147.3 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -81.9 | -2.8 | -168.2 | -21.7 | -45.1 | 0 | 0 | 0 | 114.2 | L12 K16 A17 | L12-H14 PolarHBondContact O-CE1 3.48Å; L12-H14 PolarHBondContact O-N 3.33Å; L12-H14 PolarHBondContact O-ND1 2.85Å; H14-K16 PolarHBondContact O-N 3.34Å; H14-A17 WeakPolarHBondContact O-CB 3.29Å; H14-A17 PolarHBondContact O-N 3.49Å |
| 15 | E | 52.3 | Low | 55 | Low | 179 Ų | 179 | 145.9 Ų | 145.9 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -55.6 | -23.3 | -164.3 | -169.1 | 178.5 | -151.5 | 0 | 0 | 115.1 | N13 | N13-E15 VanDerWaalsContact C-N 3.29Å; N13-E15 PolarHBondContact O-N 2.83Å |
| 16 | K | 55.8 | Low | 54.6 | Low | 199 Ų | 199 | 145.5 Ų | 145.5 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -101.5 | 5.5 | -177.8 | -62.2 | 179.4 | -176.5 | 174.1 | 0 | 114.1 | H14 | H14-K16 PolarHBondContact O-N 3.34Š|
| 17 | A | 52.5 | Low | 54.3 | Low | 79 Ų | 79 | 141.5 Ų | 141.5 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -93.1 | 7.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | H14 | H14-A17 WeakPolarHBondContact O-CB 3.29Å; H14-A17 PolarHBondContact O-N 3.49Å |
| 18 | H | 50.4 | Low | 53.9 | Low | 187 Ų | 187 | 142.7 Ų | 142.7 | 87% | 0.866 | 75% | 0.748 | S | S | * | * | trans | -130.1 | 57.8 | -178.7 | -123.4 | 34.8 | 0 | 0 | 0 | 114.9 | ||||
| 19 | K | 48.7 | Very low | 53.1 | Low | 208 Ų | 208 | 144.4 Ų | 144.4 | 90% | 0.904 | 75% | 0.745 | S | S | * | * | trans | -133.5 | 70.3 | 155.1 | -70.6 | -167.2 | 178.5 | -175.6 | 0 | 110.7 | ||||
| 20 | R | 50.3 | Low | 52.7 | Low | 229 Ų | 229 | 142.5 Ų | 142.5 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -121.9 | 137 | 150.5 | -82.9 | -171.1 | -72.3 | 172.1 | -3.6 | 106.5 | T22 | R20-T22 PolarHBondContact O-N 3.14Š|
| 21 | D | 43.4 | Very low | 52.1 | Low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | trans | -61.4 | 133.3 | -159.2 | -58.4 | -87.1 | 0 | 0 | 0 | 112.6 | V23 | D21-V23 HydrophobicContact CB-CG2 3.91Å; D21-V23 PolarHBondContact O-N 2.9Å | ||
| 22 | T | 48.8 | Very low | 51.8 | Low | 128 Ų | 128 | 137.9 Ų | 137.9 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -71.5 | 65.9 | 160 | -41.4 | 0 | 0 | 0 | 0 | 108.4 | R20 T24 | R20-T22 PolarHBondContact O-N 3.14Å; T22-T24 PolarHBondContact O-N 3.33Å | ||
| 23 | V | 46 | Very low | 51.6 | Low | 122 Ų | 122 | 136.3 Ų | 136.3 | 74% | 0.739 | 71% | 0.714 | S | S | * | * | trans | -67.7 | 79.4 | 155.8 | -177.5 | 0 | 0 | 0 | 0 | 105.3 | D21 P25 | D21-V23 HydrophobicContact CB-CG2 3.91Å; D21-V23 PolarHBondContact O-N 2.9Å; V23-P25 WeakPolarHBondContact O-CD 3.37Å; V23-P25 VanDerWaalsContact O-N 3.08Å | ||
| 24 | T | 43.9 | Very low | 52 | Low | 90 Ų | 90 | 133.1 Ų | 133.1 | 55% | 0.552 | 70% | 0.703 | S | S | * | * | trans | -52.9 | 113.5 | 163.4 | -58.1 | 0 | 0 | 0 | 0 | 105.9 | T22 V26 | T22-T24 PolarHBondContact O-N 3.33Å; T24-V26 VanDerWaalsContact C-N 3.31Å; T24-V26 PolarHBondContact O-N 3.46Å | ||
| 25 | P | 49.7 | Very low | 53 | Low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | -63.3 | 106.9 | 161.6 | 28.4 | -29.8 | 0 | 0 | 0 | 104.6 | V23 S27 | V23-P25 WeakPolarHBondContact O-CD 3.37Å; V23-P25 VanDerWaalsContact O-N 3.08Å; P25-S27 VanDerWaalsContact C-N 3.26Å; P25-S27 PolarHBondContact O-N 3.08Å | ||
| 26 | V | 45.4 | Very low | 54.1 | Low | 116 Ų | 116 | 124.5 Ų | 124.5 | 70% | 0.703 | 68% | 0.68 | S | S | * | * | trans | -63.5 | 99.3 | 171.8 | 175 | 0 | 0 | 0 | 0 | 105.1 | T24 I28 | T24-V26 VanDerWaalsContact C-N 3.31Å; T24-V26 PolarHBondContact O-N 3.46Å; V26-I28 PolarHBondContact O-N 3.37Å | ||
| 27 | S | 47.3 | Very low | 55.4 | Low | 44 Ų | 44 | 118.9 Ų | 118.9 | 31% | 0.308 | 67% | 0.666 | S | S | . | * | trans | -66.5 | 104.6 | 179.2 | 179 | 0 | 0 | 0 | 0 | 108.1 | P25 Y29 S30 E33 | P25-S27 VanDerWaalsContact C-N 3.26Å; P25-S27 PolarHBondContact O-N 3.08Å; S27-Y29 PolarHBondContact O-N 3.15Å; S27-Y29 VanDerWaalsContact O-N 3.09Å; S27-Y29 PolarHBondContact OG-N 2.94Å; S27-S30 PolarHBondContact O-N 2.8Å; S27-E33 WeakPolarHBondContact CB-OE2 3.47Å; S27-E33 PolarHBondContact OG-OE2 3.43Å | ||
| 28 | I | 50.2 | Low | 57.2 | Low | 166 Ų | 166 | 120.9 Ų | 120.9 | 85% | 0.851 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 8.4 | 171.6 | -66 | 163.6 | 0 | 0 | 0 | 109.9 | V26 | V26-I28 PolarHBondContact O-N 3.37Š|
| 29 | Y | 54.6 | Low | 59.2 | Low | 177 Ų | 177 | 118.9 Ų | 118.9 | 69% | 0.694 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 42.5 | 172 | -140.6 | -103 | 0 | 0 | 0 | 112.7 | S27 G31 D32 | S27-Y29 PolarHBondContact O-N 3.15Å; S27-Y29 VanDerWaalsContact O-N 3.09Å; S27-Y29 PolarHBondContact OG-N 2.94Å; Y29-G31 PolarHBondContact O-N 3.46Å; Y29-D32 HydrophobicContact CD1-CB 4.4Å; Y29-D32 HydrophobicContact CE1-CB 4.41Å |
| 30 | S | 55.7 | Low | 61.4 | Low | 104 Ų | 104 | 111.8 Ų | 111.8 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 34.6 | -178.4 | -175.1 | 0 | 0 | 0 | 0 | 116.2 | S27 | S27-S30 PolarHBondContact O-N 2.8Š|
| 31 | G | 57.3 | Low | 63.5 | Low | 50 Ų | 50 | 106.6 Ų | 106.6 | 52% | 0.515 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.5 | -55.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y29 | Y29-G31 PolarHBondContact O-N 3.46Š|
| 32 | D | 57 | Low | 66 | Low | 108 Ų | 108 | 102.7 Ų | 102.7 | 58% | 0.578 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -89.4 | -41.5 | -164.8 | -154.9 | 13.1 | 0 | 0 | 0 | 113.1 | Y29 S34 V35 A36 | Y29-D32 HydrophobicContact CD1-CB 4.4Å; Y29-D32 HydrophobicContact CE1-CB 4.41Å; D32-S34 PolarHBondContact O-N 3.49Å; D32-V35 PolarHBondContact O-N 3.03Å; D32-A36 PolarHBondContact O-N 3.23Å |
| 33 | E | 61.4 | Low | 68.2 | Low | 119 Ų | 119 | 100 Ų | 100 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.4 | -30.1 | 178 | -65.3 | -179 | 131.3 | 0 | 0 | 112.7 | S27 S37 | S27-E33 WeakPolarHBondContact CB-OE2 3.47Å; S27-E33 PolarHBondContact OG-OE2 3.43Å; E33-S37 WeakPolarHBondContact O-CB 3.31Å; E33-S37 PolarHBondContact O-N 2.94Å |
| 34 | S | 66.5 | Low | 70.6 | Confident | 78 Ų | 78 | 96.3 Ų | 96.3 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.5 | -41.4 | 173.5 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | D32 H38 | D32-S34 PolarHBondContact O-N 3.49Å; S34-H38 VanDerWaalsContact O-CB 3.24Å; S34-H38 WeakPolarHBondContact O-CB 3.5Å; S34-H38 PolarHBondContact O-N 3.24Å |
| 35 | V | 74.8 | Confident | 73.2 | Confident | 91 Ų | 91 | 98.8 Ų | 98.8 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.2 | -43.1 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | D32 H38 F39 | D32-V35 PolarHBondContact O-N 3.03Å; V35-H38 PolarHBondContact O-N 3.11Å; V35-F39 WeakPolarHBondContact O-CB 3.32Å; V35-F39 PolarHBondContact O-N 3.47Å |
| 36 | A | 76.9 | Confident | 75.5 | Confident | 61 Ų | 61 | 97.7 Ų | 97.7 | 50% | 0.504 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.1 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D32 F39 A40 | D32-A36 PolarHBondContact O-N 3.23Å; A36-F39 PolarHBondContact O-N 3.17Å; A36-A40 WeakPolarHBondContact O-CB 3.47Å; A36-A40 PolarHBondContact O-N 3.01Å |
| 37 | S | 83.3 | Confident | 78 | Confident | 81 Ų | 81 | 95.4 Ų | 95.4 | 57% | 0.566 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.1 | -42.3 | 176 | -174.7 | 0 | 0 | 0 | 0 | 112 | E33 A40 L41 | E33-S37 WeakPolarHBondContact O-CB 3.31Å; E33-S37 PolarHBondContact O-N 2.94Å; S37-A40 PolarHBondContact O-N 2.83Å; S37-L41 WeakPolarHBondContact O-CB 3.3Å; S37-L41 PolarHBondContact O-N 3.44Å |
| 38 | H | 90 | Very high | 80.4 | Confident | 121 Ų | 121 | 98 Ų | 98 | 56% | 0.56 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.7 | -45.5 | 173.9 | -179.5 | 70.5 | 0 | 0 | 0 | 112.1 | S34 V35 A40 L41 V42 | S34-H38 VanDerWaalsContact O-CB 3.24Å; S34-H38 WeakPolarHBondContact O-CB 3.5Å; S34-H38 PolarHBondContact O-N 3.24Å; V35-H38 PolarHBondContact O-N 3.11Å; H38-A40 VanDerWaalsContact C-N 3.35Å; H38-A40 PolarHBondContact O-N 3.4Å; H38-L41 PolarHBondContact O-N 2.99Å; H38-V42 WeakPolarHBondContact O-CG2 3.49Å; H38-V42 PolarHBondContact O-N 3.17Å |
| 39 | F | 92.8 | Very high | 82.6 | Confident | 145 Ų | 145 | 94.6 Ų | 94.6 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | 176.7 | 179 | -98.6 | 0 | 0 | 0 | 112.2 | V35 A36 V42 T43 | V35-F39 WeakPolarHBondContact O-CB 3.32Å; V35-F39 PolarHBondContact O-N 3.47Å; A36-F39 PolarHBondContact O-N 3.17Å; F39-V42 PolarHBondContact O-N 3.26Å; F39-T43 WeakPolarHBondContact O-CB 3.1Å; F39-T43 PolarHBondContact O-N 3.36Å; F39-T43 PolarHBondContact O-OG1 2.89Å |
| 40 | A | 93.5 | Very high | 84.7 | Confident | 58 Ų | 58 | 92.6 Ų | 92.6 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | A36 S37 H38 T43 A44 | A36-A40 WeakPolarHBondContact O-CB 3.47Å; A36-A40 PolarHBondContact O-N 3.01Å; S37-A40 PolarHBondContact O-N 2.83Å; H38-A40 VanDerWaalsContact C-N 3.35Å; H38-A40 PolarHBondContact O-N 3.4Å; A40-T43 PolarHBondContact O-N 2.92Å; A40-A44 WeakPolarHBondContact O-CB 3.44Å; A40-A44 PolarHBondContact O-N 3.31Å |
| 41 | L | 94.8 | Very high | 86.7 | Confident | 120 Ų | 120 | 94.5 Ų | 94.5 | 63% | 0.628 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -43.6 | 177.2 | -178.7 | 61.6 | 0 | 0 | 0 | 112.4 | S37 H38 A44 Y45 | S37-L41 WeakPolarHBondContact O-CB 3.3Å; S37-L41 PolarHBondContact O-N 3.44Å; H38-L41 PolarHBondContact O-N 2.99Å; L41-A44 PolarHBondContact O-N 3.34Å; L41-Y45 VanDerWaalsContact O-CB 3.32Å; L41-Y45 WeakPolarHBondContact O-CB 3.38Å; L41-Y45 PolarHBondContact O-N 2.84Å |
| 42 | V | 95.8 | Very high | 88.7 | Confident | 65 Ų | 65 | 97 Ų | 97 | 39% | 0.394 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 111 | H38 F39 Y45 E46 | H38-V42 WeakPolarHBondContact O-CG2 3.49Å; H38-V42 PolarHBondContact O-N 3.17Å; F39-V42 PolarHBondContact O-N 3.26Å; V42-Y45 PolarHBondContact O-N 3.36Å; V42-E46 PolarHBondContact O-N 3.41Å |
| 43 | T | 95.9 | Very high | 90.6 | Very high | 72 Ų | 72 | 98 Ų | 98 | 44% | 0.442 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | F39 A40 Y45 E46 D47 | F39-T43 WeakPolarHBondContact O-CB 3.1Å; F39-T43 PolarHBondContact O-N 3.36Å; F39-T43 PolarHBondContact O-OG1 2.89Å; A40-T43 PolarHBondContact O-N 2.92Å; T43-Y45 PolarHBondContact O-N 2.75Å; T43-E46 PolarHBondContact O-N 3.14Å; T43-D47 PolarHBondContact O-N 3.33Å |
| 44 | A | 96.8 | Very high | 92.3 | Very high | 44 Ų | 44 | 95.4 Ų | 95.4 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A40 L41 D47 I48 | A40-A44 WeakPolarHBondContact O-CB 3.44Å; A40-A44 PolarHBondContact O-N 3.31Å; L41-A44 PolarHBondContact O-N 3.34Å; A44-D47 PolarHBondContact O-N 3.35Å; A44-I48 WeakPolarHBondContact O-CB 3.41Å; A44-I48 WeakPolarHBondContact O-CD1 3.25Å; A44-I48 WeakPolarHBondContact O-CG1 3.27Å; A44-I48 PolarHBondContact O-N 2.96Å |
| 45 | Y | 97.4 | Very high | 93.8 | Very high | 143 Ų | 143 | 94.8 Ų | 94.8 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -48.1 | 176.5 | 177.6 | -98.4 | 0 | 0 | 0 | 112.1 | L41 V42 T43 D47 I48 K49 | L41-Y45 VanDerWaalsContact O-CB 3.32Å; L41-Y45 WeakPolarHBondContact O-CB 3.38Å; L41-Y45 PolarHBondContact O-N 2.84Å; V42-Y45 PolarHBondContact O-N 3.36Å; T43-Y45 PolarHBondContact O-N 2.75Å; Y45-D47 PolarHBondContact O-N 2.85Å; Y45-I48 PolarHBondContact O-N 3.05Å; Y45-K49 HydrophobicContact CD1-CD 4.39Å; Y45-K49 HydrophobicContact CE1-CD 3.8Å; Y45-K49 WeakPolarHBondContact O-CB 3.46Å; Y45-K49 PolarHBondContact O-N 3.4Å |
| 46 | E | 97.8 | Very high | 94.9 | Very high | 88 Ų | 88 | 95.9 Ų | 95.9 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.2 | -34 | 178.2 | -70.9 | -60.9 | 135 | 0 | 0 | 112.6 | V42 T43 K49 K50 | V42-E46 PolarHBondContact O-N 3.41Å; T43-E46 PolarHBondContact O-N 3.14Å; E46-K49 WeakPolarHBondContact OE1-CD 3.48Å; E46-K49 IonicContact OE1-NZ 2.72Å; E46-K49 PolarHBondContact OE1-NZ 3.47Å; E46-K49 IonicContact OE2-NZ 2.65Å; E46-K49 PolarHBondContact OE2-NZ 3.47Å; E46-K50 VanDerWaalsContact O-CB 3.29Å; E46-K50 WeakPolarHBondContact O-CB 3.3Å; E46-K50 PolarHBondContact O-N 3.28Å |
| 47 | D | 98.1 | Very high | 95.9 | Very high | 68 Ų | 68 | 98.1 Ų | 98.1 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -47.3 | 171.1 | 172.2 | 68.4 | 0 | 0 | 0 | 112.6 | T43 A44 Y45 K49 K50 R51 | T43-D47 PolarHBondContact O-N 3.33Å; A44-D47 PolarHBondContact O-N 3.35Å; Y45-D47 PolarHBondContact O-N 2.85Å; D47-K49 VanDerWaalsContact C-N 3.33Å; D47-K49 PolarHBondContact O-N 3.09Å; D47-K50 WeakPolarHBondContact O-CB 3.32Å; D47-K50 PolarHBondContact O-N 2.88Å; D47-R51 PolarHBondContact O-N 2.71Å; D47-R51 IonicContact OD1-NE 3.18Å; D47-R51 IonicContact OD2-CZ 3.95Å; D47-R51 IonicContact OD2-NE 2.77Å; D47-R51 PolarHBondContact OD2-NE 3.39Å; D47-R51 IonicContact OD2-NH2 2.7Å; D47-R51 PolarHBondContact OD2-NH2 2.91Å |
| 48 | I | 97.8 | Very high | 96.5 | Very high | 98 Ų | 98 | 99.9 Ų | 99.9 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 176.5 | -71.8 | 164.8 | 0 | 0 | 0 | 110.4 | A44 Y45 K50 R51 L52 | A44-I48 WeakPolarHBondContact O-CB 3.41Å; A44-I48 WeakPolarHBondContact O-CD1 3.25Å; A44-I48 WeakPolarHBondContact O-CG1 3.27Å; A44-I48 PolarHBondContact O-N 2.96Å; Y45-I48 PolarHBondContact O-N 3.05Å; I48-K50 VanDerWaalsContact C-N 3.34Å; I48-K50 PolarHBondContact O-N 3.35Å; I48-R51 PolarHBondContact O-N 3.14Å; I48-L52 VanDerWaalsContact O-CB 3.29Å; I48-L52 WeakPolarHBondContact O-CB 3.29Å; I48-L52 PolarHBondContact O-N 3.13Å |
| 49 | K | 97.6 | Very high | 96.9 | Very high | 96 Ų | 96 | 97.7 Ų | 97.7 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 176.2 | 175.7 | -177.7 | 167.7 | -150.5 | 0 | 112.3 | Y45 E46 D47 K53 | Y45-K49 HydrophobicContact CD1-CD 4.39Å; Y45-K49 HydrophobicContact CE1-CD 3.8Å; Y45-K49 WeakPolarHBondContact O-CB 3.46Å; Y45-K49 PolarHBondContact O-N 3.4Å; E46-K49 WeakPolarHBondContact OE1-CD 3.48Å; E46-K49 IonicContact OE1-NZ 2.72Å; E46-K49 PolarHBondContact OE1-NZ 3.47Å; E46-K49 IonicContact OE2-NZ 2.65Å; E46-K49 PolarHBondContact OE2-NZ 3.47Å; D47-K49 VanDerWaalsContact C-N 3.33Å; D47-K49 PolarHBondContact O-N 3.09Å; K49-K53 WeakPolarHBondContact O-CB 3.41Å; K49-K53 PolarHBondContact O-N 2.91Å; K49-K53 VanDerWaalsContact O-N 3.13Å |
| 50 | K | 98 | Very high | 97.1 | Very high | 134 Ų | 134 | 93.4 Ų | 93.4 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.7 | -52.3 | 172.3 | 180 | -173.7 | 171.8 | -166.9 | 0 | 111.3 | E46 D47 I48 L52 K53 D54 | E46-K50 VanDerWaalsContact O-CB 3.29Å; E46-K50 WeakPolarHBondContact O-CB 3.3Å; E46-K50 PolarHBondContact O-N 3.28Å; D47-K50 WeakPolarHBondContact O-CB 3.32Å; D47-K50 PolarHBondContact O-N 2.88Å; I48-K50 VanDerWaalsContact C-N 3.34Å; I48-K50 PolarHBondContact O-N 3.35Å; K50-L52 VanDerWaalsContact C-N 3.31Å; K50-L52 PolarHBondContact O-N 3.39Å; K50-K53 PolarHBondContact O-N 3.1Å; K50-K53 VanDerWaalsContact O-N 3.13Å; K50-D54 PolarHBondContact O-N 2.68Å |
| 51 | R | 98.1 | Very high | 97.3 | Very high | 144 Ų | 144 | 96.1 Ų | 96.1 | 54% | 0.543 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 179.5 | -76.2 | -170.1 | -76.7 | 130.6 | -5.2 | 112.3 | D47 I48 D54 S55 | D47-R51 PolarHBondContact O-N 2.71Å; D47-R51 IonicContact OD1-NE 3.18Å; D47-R51 IonicContact OD2-CZ 3.95Å; D47-R51 IonicContact OD2-NE 2.77Å; D47-R51 PolarHBondContact OD2-NE 3.39Å; D47-R51 IonicContact OD2-NH2 2.7Å; D47-R51 PolarHBondContact OD2-NH2 2.91Å; I48-R51 PolarHBondContact O-N 3.14Å; R51-D54 PolarHBondContact O-N 3.34Å; R51-S55 VanDerWaalsContact O-CB 3.27Å; R51-S55 WeakPolarHBondContact O-CB 3.36Å; R51-S55 PolarHBondContact O-N 2.86Å |
| 52 | L | 98 | Very high | 97.5 | Very high | 103 Ų | 103 | 94.6 Ų | 94.6 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.8 | -52.6 | 172.5 | -179.3 | 62.8 | 0 | 0 | 0 | 110.9 | I48 K50 D54 S55 E56 | I48-L52 VanDerWaalsContact O-CB 3.29Å; I48-L52 WeakPolarHBondContact O-CB 3.29Å; I48-L52 PolarHBondContact O-N 3.13Å; K50-L52 VanDerWaalsContact C-N 3.31Å; K50-L52 PolarHBondContact O-N 3.39Å; L52-D54 VanDerWaalsContact C-N 3.27Å; L52-D54 PolarHBondContact O-N 3.02Å; L52-S55 WeakPolarHBondContact O-CB 3.44Å; L52-S55 PolarHBondContact O-N 3.28Å; L52-E56 WeakPolarHBondContact O-CG 3.47Å; L52-E56 PolarHBondContact O-N 3Å |
| 53 | K | 97.6 | Very high | 97.6 | Very high | 129 Ų | 129 | 97.3 Ų | 97.3 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.3 | -28.7 | 179.6 | -174.3 | 172.5 | -176.8 | 174.9 | 0 | 113.8 | K49 K50 K57 | K49-K53 WeakPolarHBondContact O-CB 3.41Å; K49-K53 PolarHBondContact O-N 2.91Å; K49-K53 VanDerWaalsContact O-N 3.13Å; K50-K53 PolarHBondContact O-N 3.1Å; K50-K53 VanDerWaalsContact O-N 3.13Å; K53-K57 WeakPolarHBondContact O-CE 3.39Å; K53-K57 WeakPolarHBondContact O-CG 3.41Å |
| 54 | D | 97.4 | Very high | 97.7 | Very high | 64 Ų | 64 | 99.7 Ų | 99.7 | 34% | 0.342 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78.6 | -40.3 | 174.4 | -70.6 | -28.3 | 0 | 0 | 0 | 111.2 | K50 R51 L52 E56 K57 E58 | K50-D54 PolarHBondContact O-N 2.68Å; R51-D54 PolarHBondContact O-N 3.34Å; L52-D54 VanDerWaalsContact C-N 3.27Å; L52-D54 PolarHBondContact O-N 3.02Å; D54-E56 PolarHBondContact O-N 3.37Å; D54-K57 WeakPolarHBondContact O-CB 3.43Å; D54-K57 PolarHBondContact O-N 3Å; D54-K57 IonicContact OD1-NZ 3.82Å; D54-K57 PolarHBondContact OD1-NZ 3.02Å; D54-E58 PolarHBondContact O-N 3.22Å; D54-E58 VanDerWaalsContact O-N 3.08Å |
| 55 | S | 97.4 | Very high | 97.7 | Very high | 65 Ų | 65 | 104 Ų | 104 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 171.9 | -171.9 | 0 | 0 | 0 | 0 | 112.8 | R51 L52 K57 E58 N59 | R51-S55 VanDerWaalsContact O-CB 3.27Å; R51-S55 WeakPolarHBondContact O-CB 3.36Å; R51-S55 PolarHBondContact O-N 2.86Å; L52-S55 WeakPolarHBondContact O-CB 3.44Å; L52-S55 PolarHBondContact O-N 3.28Å; S55-K57 VanDerWaalsContact C-N 3.33Å; S55-K57 PolarHBondContact O-N 3.45Å; S55-E58 PolarHBondContact O-N 2.94Å; S55-N59 VanDerWaalsContact O-CB 3.28Å; S55-N59 WeakPolarHBondContact O-CB 3.09Å; S55-N59 PolarHBondContact O-N 3.43Å |
| 56 | E | 97.6 | Very high | 97.7 | Very high | 115 Ų | 115 | 101.6 Ų | 101.6 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 173.4 | -75.2 | 173.7 | 160.4 | 0 | 0 | 112.6 | L52 D54 S60 | L52-E56 WeakPolarHBondContact O-CG 3.47Å; L52-E56 PolarHBondContact O-N 3Å; D54-E56 PolarHBondContact O-N 3.37Å; E56-S60 WeakPolarHBondContact O-CB 3.27Å; E56-S60 PolarHBondContact O-N 3.4Å |
| 57 | K | 97.3 | Very high | 97.7 | Very high | 107 Ų | 107 | 104.1 Ų | 104.1 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.6 | -44.6 | 176.1 | -63.1 | 163.2 | -162.6 | 166.6 | 0 | 111.2 | K53 D54 S55 S60 L61 | K53-K57 WeakPolarHBondContact O-CE 3.39Å; K53-K57 WeakPolarHBondContact O-CG 3.41Å; D54-K57 WeakPolarHBondContact O-CB 3.43Å; D54-K57 PolarHBondContact O-N 3Å; D54-K57 IonicContact OD1-NZ 3.82Å; D54-K57 PolarHBondContact OD1-NZ 3.02Å; S55-K57 VanDerWaalsContact C-N 3.33Å; S55-K57 PolarHBondContact O-N 3.45Å; K57-S60 WeakPolarHBondContact O-CB 3.47Å; K57-S60 PolarHBondContact O-N 3.42Å; K57-L61 PolarHBondContact O-N 2.97Å |
| 58 | E | 97.6 | Very high | 97.6 | Very high | 118 Ų | 118 | 105.7 Ų | 105.7 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.5 | -47.2 | 177.2 | -174.9 | 178.4 | -172.8 | 0 | 0 | 110.8 | D54 S55 S60 L61 L62 | D54-E58 PolarHBondContact O-N 3.22Å; D54-E58 VanDerWaalsContact O-N 3.08Å; S55-E58 PolarHBondContact O-N 2.94Å; E58-S60 VanDerWaalsContact C-N 3.27Å; E58-S60 PolarHBondContact O-N 2.64Å; E58-L61 CarbonylContact O-C 3.59Å; E58-L61 WeakPolarHBondContact O-CA 3.32Å; E58-L61 WeakPolarHBondContact O-CB 3.41Å; E58-L61 PolarHBondContact O-N 3.45Å; E58-L62 HydrophobicContact CG-CD1 4.12Å; E58-L62 HydrophobicContact CG-CG 4.43Å; E58-L62 WeakPolarHBondContact O-CG 3.47Å; E58-L62 PolarHBondContact O-N 3.02Å |
| 59 | N | 97 | Very high | 97.6 | Very high | 75 Ų | 75 | 105 Ų | 105 | 40% | 0.401 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.8 | -37.2 | 176.2 | -163.4 | -90 | 0 | 0 | 0 | 112.1 | S55 K63 | S55-N59 VanDerWaalsContact O-CB 3.28Å; S55-N59 WeakPolarHBondContact O-CB 3.09Å; S55-N59 PolarHBondContact O-N 3.43Å; N59-K63 WeakPolarHBondContact O-CB 3.44Å; N59-K63 WeakPolarHBondContact O-CG 3.44Å; N59-K63 PolarHBondContact O-N 3.49Å; N59-K63 WeakPolarHBondContact OD1-CD 3.46Å; N59-K63 WeakPolarHBondContact OD1-CE 3.49Å; N59-K63 PolarHBondContact OD1-NZ 2.86Å |
| 60 | S | 97.8 | Very high | 97.5 | Very high | 55 Ų | 55 | 105.2 Ų | 105.2 | 39% | 0.385 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 172.9 | -170.3 | 0 | 0 | 0 | 0 | 112.8 | E56 K57 E58 K64 | E56-S60 WeakPolarHBondContact O-CB 3.27Å; E56-S60 PolarHBondContact O-N 3.4Å; K57-S60 WeakPolarHBondContact O-CB 3.47Å; K57-S60 PolarHBondContact O-N 3.42Å; E58-S60 VanDerWaalsContact C-N 3.27Å; E58-S60 PolarHBondContact O-N 2.64Å; S60-K64 VanDerWaalsContact O-CG 3.31Å; S60-K64 WeakPolarHBondContact O-CG 3.26Å; S60-K64 PolarHBondContact O-N 2.96Å; S60-K64 VanDerWaalsContact O-N 3.08Å |
| 61 | L | 97.8 | Very high | 97.3 | Very high | 115 Ų | 115 | 104.6 Ų | 104.6 | 60% | 0.602 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.4 | -44.1 | 173.2 | -78.5 | 165.9 | 0 | 0 | 0 | 111.8 | K57 E58 K64 R65 | K57-L61 PolarHBondContact O-N 2.97Å; E58-L61 CarbonylContact O-C 3.59Å; E58-L61 WeakPolarHBondContact O-CA 3.32Å; E58-L61 WeakPolarHBondContact O-CB 3.41Å; E58-L61 PolarHBondContact O-N 3.45Å; L61-K64 WeakPolarHBondContact O-CB 3.39Å; L61-K64 PolarHBondContact O-N 3.32Å; L61-R65 WeakPolarHBondContact O-CB 3.36Å; L61-R65 PolarHBondContact O-N 2.87Å |
| 62 | L | 98.1 | Very high | 97.1 | Very high | 88 Ų | 88 | 102.9 Ų | 102.9 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.8 | -68.5 | 171.8 | 0 | 0 | 0 | 111.2 | E58 K64 R65 I66 | E58-L62 HydrophobicContact CG-CD1 4.12Å; E58-L62 HydrophobicContact CG-CG 4.43Å; E58-L62 WeakPolarHBondContact O-CG 3.47Å; E58-L62 PolarHBondContact O-N 3.02Å; L62-K64 VanDerWaalsContact C-N 3.28Å; L62-K64 PolarHBondContact O-N 2.78Å; L62-R65 PolarHBondContact O-N 3.31Å; L62-I66 VanDerWaalsContact O-CG1 3.32Å; L62-I66 WeakPolarHBondContact O-CG1 3.45Å; L62-I66 PolarHBondContact O-N 2.82Å |
| 63 | K | 97.8 | Very high | 96.8 | Very high | 122 Ų | 122 | 103.9 Ų | 103.9 | 53% | 0.53 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -27.7 | 173.8 | -78.2 | 167.7 | 172 | 159.8 | 0 | 114.2 | N59 R67 | N59-K63 WeakPolarHBondContact O-CB 3.44Å; N59-K63 WeakPolarHBondContact O-CG 3.44Å; N59-K63 PolarHBondContact O-N 3.49Å; N59-K63 WeakPolarHBondContact OD1-CD 3.46Å; N59-K63 WeakPolarHBondContact OD1-CE 3.49Å; N59-K63 PolarHBondContact OD1-NZ 2.86Å; K63-R67 PolarHBondContact O-NE 3.24Å; K63-R67 VanDerWaalsContact O-NE 3.16Å |
| 64 | K | 97.8 | Very high | 96.4 | Very high | 122 Ų | 122 | 103.3 Ų | 103.3 | 53% | 0.53 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -76 | -39.8 | 169.9 | -72.3 | 168.5 | -177.2 | 179.1 | 0 | 111.3 | S60 L61 L62 F68 | S60-K64 VanDerWaalsContact O-CG 3.31Å; S60-K64 WeakPolarHBondContact O-CG 3.26Å; S60-K64 PolarHBondContact O-N 2.96Å; S60-K64 VanDerWaalsContact O-N 3.08Å; L61-K64 WeakPolarHBondContact O-CB 3.39Å; L61-K64 PolarHBondContact O-N 3.32Å; L62-K64 VanDerWaalsContact C-N 3.28Å; L62-K64 PolarHBondContact O-N 2.78Å; K64-F68 WeakPolarHBondContact O-CB 3.49Å; K64-F68 PolarHBondContact O-N 3.09Å; K64-F68 VanDerWaalsContact O-N 3.12Å |
| 65 | R | 97.9 | Very high | 95.8 | Very high | 136 Ų | 136 | 103 Ų | 103 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 179.9 | -177.7 | 54.2 | 173.5 | -176 | -3.6 | 112.8 | L61 L62 L69 | L61-R65 WeakPolarHBondContact O-CB 3.36Å; L61-R65 PolarHBondContact O-N 2.87Å; L62-R65 PolarHBondContact O-N 3.31Å; R65-L69 HydrophobicContact CG-CD1 4.13Å; R65-L69 VanDerWaalsContact O-CG 3.29Å; R65-L69 WeakPolarHBondContact O-CG 3.32Å; R65-L69 PolarHBondContact O-N 2.83Å; R65-L69 VanDerWaalsContact O-N 3.08Å |
| 66 | I | 97.7 | Very high | 95.2 | Very high | 91 Ų | 91 | 107.4 Ų | 107.4 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.2 | -56.3 | 175.4 | -71.4 | 164.1 | 0 | 0 | 0 | 109.5 | L62 F68 L69 E70 | L62-I66 VanDerWaalsContact O-CG1 3.32Å; L62-I66 WeakPolarHBondContact O-CG1 3.45Å; L62-I66 PolarHBondContact O-N 2.82Å; I66-F68 VanDerWaalsContact C-N 3.35Å; I66-F68 PolarHBondContact O-N 3.26Å; I66-L69 CarbonylContact O-C 3.58Å; I66-L69 WeakPolarHBondContact O-CA 3.48Å; I66-L69 WeakPolarHBondContact O-CB 3.3Å; I66-L69 PolarHBondContact O-N 2.91Å; I66-E70 HydrophobicContact CG2-CG 4.27Å; I66-E70 WeakPolarHBondContact CG2-OE1 3.38Å; I66-E70 WeakPolarHBondContact O-CG 3.39Å; I66-E70 PolarHBondContact O-N 3.49Å |
| 67 | R | 97.1 | Very high | 94.4 | Very high | 141 Ų | 141 | 108.8 Ų | 108.8 | 53% | 0.532 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -55.8 | -44.1 | 178.1 | -71.9 | -175.9 | -67.5 | 170.6 | 4.2 | 113.8 | K63 L69 E70 E71 | K63-R67 PolarHBondContact O-NE 3.24Å; K63-R67 VanDerWaalsContact O-NE 3.16Å; R67-L69 VanDerWaalsContact C-N 3.26Å; R67-L69 PolarHBondContact O-N 3.46Å; R67-E70 VanDerWaalsContact CA-OE2 3.29Å; R67-E70 WeakPolarHBondContact CA-OE2 3.42Å; R67-E70 PolarHBondContact O-N 3.02Å; R67-E71 WeakPolarHBondContact O-CB 3.43Å; R67-E71 WeakPolarHBondContact O-CG 3.47Å; R67-E71 PolarHBondContact O-N 3.26Å |
| 68 | F | 96.4 | Very high | 93.4 | Very high | 101 Ų | 101 | 108.8 Ų | 108.8 | 44% | 0.443 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -33.5 | 174.5 | 175.2 | -90.7 | 0 | 0 | 0 | 113.5 | K64 I66 K72 | K64-F68 WeakPolarHBondContact O-CB 3.49Å; K64-F68 PolarHBondContact O-N 3.09Å; K64-F68 VanDerWaalsContact O-N 3.12Å; I66-F68 VanDerWaalsContact C-N 3.35Å; I66-F68 PolarHBondContact O-N 3.26Å; F68-K72 HydrophobicContact CE1-CD 4.28Å; F68-K72 WeakPolarHBondContact O-CB 3.39Å; F68-K72 PolarHBondContact O-N 3.37Å; F68-K72 VanDerWaalsContact O-N 3.13Å |
| 69 | L | 96.7 | Very high | 92.3 | Very high | 84 Ų | 84 | 110 Ų | 110 | 44% | 0.44 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.9 | -36.1 | 176.8 | -70.2 | 171.6 | 0 | 0 | 0 | 111.9 | R65 I66 R67 K72 L73 | R65-L69 HydrophobicContact CG-CD1 4.13Å; R65-L69 VanDerWaalsContact O-CG 3.29Å; R65-L69 WeakPolarHBondContact O-CG 3.32Å; R65-L69 PolarHBondContact O-N 2.83Å; R65-L69 VanDerWaalsContact O-N 3.08Å; I66-L69 CarbonylContact O-C 3.58Å; I66-L69 WeakPolarHBondContact O-CA 3.48Å; I66-L69 WeakPolarHBondContact O-CB 3.3Å; I66-L69 PolarHBondContact O-N 2.91Å; R67-L69 VanDerWaalsContact C-N 3.26Å; R67-L69 PolarHBondContact O-N 3.46Å; L69-K72 PolarHBondContact O-N 3.04Å; L69-L73 WeakPolarHBondContact O-CB 3.47Å; L69-L73 PolarHBondContact O-N 3.24Å |
| 70 | E | 95.6 | Very high | 91 | Very high | 101 Ų | 101 | 112.6 Ų | 112.6 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -52 | 172.7 | -66.8 | 165.6 | 152.3 | 0 | 0 | 110.8 | I66 R67 K72 L73 I74 | I66-E70 HydrophobicContact CG2-CG 4.27Å; I66-E70 WeakPolarHBondContact CG2-OE1 3.38Å; I66-E70 WeakPolarHBondContact O-CG 3.39Å; I66-E70 PolarHBondContact O-N 3.49Å; R67-E70 VanDerWaalsContact CA-OE2 3.29Å; R67-E70 WeakPolarHBondContact CA-OE2 3.42Å; R67-E70 PolarHBondContact O-N 3.02Å; E70-K72 VanDerWaalsContact C-N 3.3Å; E70-K72 PolarHBondContact O-N 3.11Å; E70-L73 PolarHBondContact O-N 3.08Å; E70-L73 VanDerWaalsContact O-N 3.11Å; E70-I74 WeakPolarHBondContact O-CG1 3.28Å; E70-I74 PolarHBondContact O-N 3.15Å |
| 71 | E | 94 | Very high | 89.7 | Confident | 120 Ų | 120 | 113.2 Ų | 113.2 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -53.8 | -45.5 | 173.8 | -72 | 161 | -168.3 | 0 | 0 | 111.5 | R67 L73 I74 A75 | R67-E71 WeakPolarHBondContact O-CB 3.43Å; R67-E71 WeakPolarHBondContact O-CG 3.47Å; R67-E71 PolarHBondContact O-N 3.26Å; E71-L73 PolarHBondContact O-N 2.98Å; E71-I74 PolarHBondContact O-N 3.41Å; E71-A75 WeakPolarHBondContact O-CB 3.33Å; E71-A75 PolarHBondContact O-N 3.11Å |
| 72 | K | 94.6 | Very high | 88.4 | Confident | 109 Ų | 109 | 110.4 Ų | 110.4 | 47% | 0.474 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.7 | -30 | 178.9 | -175.7 | 170.2 | -176.6 | 173.1 | 0 | 113.5 | F68 L69 E70 R76 | F68-K72 HydrophobicContact CE1-CD 4.28Å; F68-K72 WeakPolarHBondContact O-CB 3.39Å; F68-K72 PolarHBondContact O-N 3.37Å; F68-K72 VanDerWaalsContact O-N 3.13Å; L69-K72 PolarHBondContact O-N 3.04Å; E70-K72 VanDerWaalsContact C-N 3.3Å; E70-K72 PolarHBondContact O-N 3.11Å; K72-R76 PolarHBondContact O-N 3.49Å |
| 73 | L | 91.9 | Very high | 87.4 | Confident | 123 Ų | 123 | 109.1 Ų | 109.1 | 64% | 0.644 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.2 | -45.4 | 175.4 | -178.4 | 62.7 | 0 | 0 | 0 | 110.6 | L69 E70 E71 R76 F77 | L69-L73 WeakPolarHBondContact O-CB 3.47Å; L69-L73 PolarHBondContact O-N 3.24Å; E70-L73 PolarHBondContact O-N 3.08Å; E70-L73 VanDerWaalsContact O-N 3.11Å; E71-L73 PolarHBondContact O-N 2.98Å; L73-R76 PolarHBondContact O-N 3.26Å; L73-F77 PolarHBondContact O-N 3.45Å; L73-F77 VanDerWaalsContact O-N 3.09Å |
| 74 | I | 89.4 | Confident | 86.4 | Confident | 117 Ų | 117 | 106.3 Ų | 106.3 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.8 | -48 | 176.4 | -66 | 162.9 | 0 | 0 | 0 | 110.5 | E70 E71 R76 F77 D78 | E70-I74 WeakPolarHBondContact O-CG1 3.28Å; E70-I74 PolarHBondContact O-N 3.15Å; E71-I74 PolarHBondContact O-N 3.41Å; I74-R76 VanDerWaalsContact C-N 3.34Å; I74-R76 PolarHBondContact O-N 3.03Å; I74-F77 PolarHBondContact O-N 3.45Å; I74-F77 VanDerWaalsContact O-N 3.13Å; I74-D78 PolarHBondContact O-N 3.43Å |
| 75 | A | 85.3 | Confident | 85.6 | Confident | 59 Ų | 59 | 102.1 Ų | 102.1 | 49% | 0.488 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.1 | -41 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | E71 E79 | E71-A75 WeakPolarHBondContact O-CB 3.33Å; E71-A75 PolarHBondContact O-N 3.11Å; A75-E79 WeakPolarHBondContact O-CB 3.41Å; A75-E79 PolarHBondContact O-N 3.05Å; A75-E79 VanDerWaalsContact O-N 3.14Å |
| 76 | R | 83.8 | Confident | 85.1 | Confident | 157 Ų | 157 | 104 Ų | 104 | 59% | 0.592 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.7 | -45.9 | 173.7 | -79.2 | -173.7 | 171.4 | -75.1 | 8.7 | 112.1 | K72 L73 I74 E79 E80 | K72-R76 PolarHBondContact O-N 3.49Å; L73-R76 PolarHBondContact O-N 3.26Å; I74-R76 VanDerWaalsContact C-N 3.34Å; I74-R76 PolarHBondContact O-N 3.03Å; R76-E79 PolarHBondContact O-N 3.42Å; R76-E80 VanDerWaalsContact O-CB 3.24Å; R76-E80 WeakPolarHBondContact O-CB 3.46Å; R76-E80 PolarHBondContact O-N 3.11Å |
| 77 | F | 80.2 | Confident | 84.7 | Confident | 143 Ų | 143 | 106 Ų | 106 | 63% | 0.627 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.7 | -41 | -175.6 | -172.8 | -94.9 | 0 | 0 | 0 | 111.9 | L73 I74 T81 | L73-F77 PolarHBondContact O-N 3.45Å; L73-F77 VanDerWaalsContact O-N 3.09Å; I74-F77 PolarHBondContact O-N 3.45Å; I74-F77 VanDerWaalsContact O-N 3.13Å; F77-T81 HydrophobicContact CD1-CG2 4.23Å; F77-T81 HydrophobicContact CD2-CG2 4.28Å; F77-T81 HydrophobicContact CE1-CG2 3.93Å; F77-T81 HydrophobicContact CE2-CG2 3.99Å; F77-T81 HydrophobicContact CG-CG2 4.41Å; F77-T81 HydrophobicContact CZ-CG2 3.81Å; F77-T81 WeakPolarHBondContact O-CB 3.5Å; F77-T81 VanDerWaalsContact O-CG2 3.3Å; F77-T81 WeakPolarHBondContact O-CG2 3.48Å; F77-T81 PolarHBondContact O-N 2.81Å; F77-T81 PolarHBondContact O-OG1 3.46Å |
| 78 | D | 76.4 | Confident | 84.5 | Confident | 107 Ų | 107 | 105.4 Ų | 105.4 | 57% | 0.572 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.4 | -45.4 | 176 | -169.8 | 42.7 | 0 | 0 | 0 | 111.7 | I74 S82 | I74-D78 PolarHBondContact O-N 3.43Å; D78-S82 WeakPolarHBondContact O-CB 3.25Å; D78-S82 PolarHBondContact O-N 3.06Å; D78-S82 PolarHBondContact O-OG 3.28Å |
| 79 | E | 74.1 | Confident | 84.3 | Confident | 143 Ų | 143 | 105.4 Ų | 105.4 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.6 | -43.4 | 177.8 | -172.9 | 169 | -136.2 | 0 | 0 | 112.4 | A75 R76 S83 | A75-E79 WeakPolarHBondContact O-CB 3.41Å; A75-E79 PolarHBondContact O-N 3.05Å; A75-E79 VanDerWaalsContact O-N 3.14Å; R76-E79 PolarHBondContact O-N 3.42Å; E79-S83 VanDerWaalsContact O-CB 3.24Å; E79-S83 WeakPolarHBondContact O-CB 3.22Å; E79-S83 PolarHBondContact O-N 3.36Å; E79-S83 PolarHBondContact O-OG 2.9Å |
| 80 | E | 71.5 | Confident | 84.3 | Confident | 131 Ų | 131 | 105.3 Ų | 105.3 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.3 | -44.1 | -179.2 | -170.6 | 163.3 | -156 | 0 | 0 | 112.3 | R76 S83 V84 | R76-E80 VanDerWaalsContact O-CB 3.24Å; R76-E80 WeakPolarHBondContact O-CB 3.46Å; R76-E80 PolarHBondContact O-N 3.11Å; E80-S83 PolarHBondContact O-OG 3.42Å; E80-V84 VanDerWaalsContact O-CB 3.31Å; E80-V84 WeakPolarHBondContact O-CB 3.4Å; E80-V84 VanDerWaalsContact O-CG2 3.24Å; E80-V84 WeakPolarHBondContact O-CG2 3.47Å; E80-V84 PolarHBondContact O-N 2.87Å; E80-V84 VanDerWaalsContact O-N 3.17Å |
| 81 | T | 68.7 | Low | 84.4 | Confident | 67 Ų | 67 | 107.9 Ų | 107.9 | 41% | 0.411 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -73.8 | -39.5 | -179.9 | 58.1 | 0 | 0 | 0 | 0 | 113 | F77 G85 | F77-T81 HydrophobicContact CD1-CG2 4.23Å; F77-T81 HydrophobicContact CD2-CG2 4.28Å; F77-T81 HydrophobicContact CE1-CG2 3.93Å; F77-T81 HydrophobicContact CE2-CG2 3.99Å; F77-T81 HydrophobicContact CG-CG2 4.41Å; F77-T81 HydrophobicContact CZ-CG2 3.81Å; F77-T81 WeakPolarHBondContact O-CB 3.5Å; F77-T81 VanDerWaalsContact O-CG2 3.3Å; F77-T81 WeakPolarHBondContact O-CG2 3.48Å; F77-T81 PolarHBondContact O-N 2.81Å; F77-T81 PolarHBondContact O-OG1 3.46Å; T81-G85 PolarHBondContact O-N 3.08Å |
| 82 | S | 71.3 | Confident | 84.5 | Confident | 57 Ų | 57 | 105.1 Ų | 105.1 | 40% | 0.399 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.9 | -32.4 | -179.4 | 69.3 | 0 | 0 | 0 | 0 | 113.2 | D78 R86 | D78-S82 WeakPolarHBondContact O-CB 3.25Å; D78-S82 PolarHBondContact O-N 3.06Å; D78-S82 PolarHBondContact O-OG 3.28Å; S82-R86 VanDerWaalsContact O-CB 3.24Å; S82-R86 WeakPolarHBondContact O-CB 3.17Å; S82-R86 PolarHBondContact O-N 3.04Å |
| 83 | S | 76.4 | Confident | 84.7 | Confident | 61 Ų | 61 | 106.8 Ų | 106.8 | 43% | 0.427 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -74.5 | -53.5 | 175.4 | 59 | 0 | 0 | 0 | 0 | 111.8 | E79 E80 G85 R86 E87 | E79-S83 VanDerWaalsContact O-CB 3.24Å; E79-S83 WeakPolarHBondContact O-CB 3.22Å; E79-S83 PolarHBondContact O-N 3.36Å; E79-S83 PolarHBondContact O-OG 2.9Å; E80-S83 PolarHBondContact O-OG 3.42Å; S83-G85 PolarHBondContact O-N 2.96Å; S83-R86 PolarHBondContact O-N 3.44Å; S83-E87 PolarHBondContact O-N 3.3Å |
| 84 | V | 77.6 | Confident | 85 | Confident | 63 Ų | 63 | 106.4 Ų | 106.4 | 38% | 0.382 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | -178.5 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | E80 R86 E87 Q88 | E80-V84 VanDerWaalsContact O-CB 3.31Å; E80-V84 WeakPolarHBondContact O-CB 3.4Å; E80-V84 VanDerWaalsContact O-CG2 3.24Å; E80-V84 WeakPolarHBondContact O-CG2 3.47Å; E80-V84 PolarHBondContact O-N 2.87Å; E80-V84 VanDerWaalsContact O-N 3.17Å; V84-R86 PolarHBondContact O-N 2.89Å; V84-E87 PolarHBondContact O-N 3.22Å; V84-Q88 HydrophobicContact CG1-CG 4.5Å; V84-Q88 VanDerWaalsContact CG1-NE2 3.3Å; V84-Q88 WeakPolarHBondContact O-CB 3.39Å; V84-Q88 VanDerWaalsContact O-CG 3.3Å; V84-Q88 WeakPolarHBondContact O-CG 3.45Å; V84-Q88 PolarHBondContact O-N 3.08Å |
| 85 | G | 82.1 | Confident | 85.4 | Confident | 34 Ų | 34 | 103.6 Ų | 103.6 | 35% | 0.351 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T81 S83 V89 | T81-G85 PolarHBondContact O-N 3.08Å; S83-G85 PolarHBondContact O-N 2.96Å; G85-V89 WeakPolarHBondContact O-CG2 3.37Å; G85-V89 PolarHBondContact O-N 3.3Å; G85-V89 VanDerWaalsContact O-N 3.1Å |
| 86 | R | 87.2 | Confident | 86 | Confident | 174 Ų | 174 | 108 Ų | 108 | 66% | 0.657 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.7 | -42.1 | 177.1 | -174.9 | -178.4 | -61.5 | -168.4 | 1.4 | 112.2 | S82 S83 V84 V89 N90 | S82-R86 VanDerWaalsContact O-CB 3.24Å; S82-R86 WeakPolarHBondContact O-CB 3.17Å; S82-R86 PolarHBondContact O-N 3.04Å; S83-R86 PolarHBondContact O-N 3.44Å; V84-R86 PolarHBondContact O-N 2.89Å; R86-V89 PolarHBondContact O-N 2.86Å; R86-N90 WeakPolarHBondContact O-CB 3.33Å; R86-N90 VanDerWaalsContact O-CG 3.24Å; R86-N90 PolarHBondContact O-N 3.05Å |
| 87 | E | 88.9 | Confident | 86.7 | Confident | 135 Ų | 135 | 106.2 Ų | 106.2 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.2 | -43.3 | 177.8 | -168.7 | -176.4 | 169.6 | 0 | 0 | 111.5 | S83 V84 V89 N90 K91 | S83-E87 PolarHBondContact O-N 3.3Å; V84-E87 PolarHBondContact O-N 3.22Å; E87-V89 PolarHBondContact O-N 3.31Å; E87-N90 PolarHBondContact O-N 2.77Å; E87-K91 VanDerWaalsContact O-CB 3.31Å; E87-K91 WeakPolarHBondContact O-CB 2.99Å; E87-K91 PolarHBondContact O-N 2.88Å |
| 88 | Q | 91.6 | Very high | 87.6 | Confident | 128 Ų | 128 | 103.7 Ų | 103.7 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.9 | -44 | 176.1 | -72.2 | 179.3 | 23.1 | 0 | 0 | 112.2 | V84 K91 A92 | V84-Q88 HydrophobicContact CG1-CG 4.5Å; V84-Q88 VanDerWaalsContact CG1-NE2 3.3Å; V84-Q88 WeakPolarHBondContact O-CB 3.39Å; V84-Q88 VanDerWaalsContact O-CG 3.3Å; V84-Q88 WeakPolarHBondContact O-CG 3.45Å; V84-Q88 PolarHBondContact O-N 3.08Å; Q88-K91 PolarHBondContact O-N 3.04Å; Q88-A92 WeakPolarHBondContact O-CB 3.29Å; Q88-A92 PolarHBondContact O-N 2.77Å |
| 89 | V | 94 | Very high | 88.7 | Confident | 101 Ų | 101 | 103.1 Ų | 103.1 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -44.2 | 176 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | G85 R86 E87 K91 A92 Y93 | G85-V89 WeakPolarHBondContact O-CG2 3.37Å; G85-V89 PolarHBondContact O-N 3.3Å; G85-V89 VanDerWaalsContact O-N 3.1Å; R86-V89 PolarHBondContact O-N 2.86Å; E87-V89 PolarHBondContact O-N 3.31Å; V89-K91 PolarHBondContact O-N 3.45Å; V89-A92 PolarHBondContact O-N 2.7Å; V89-Y93 WeakPolarHBondContact O-CB 3.45Å; V89-Y93 PolarHBondContact O-N 3.43Å |
| 90 | N | 95.4 | Very high | 89.8 | Confident | 82 Ų | 82 | 97.2 Ų | 97.2 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 175.9 | -72.3 | -11.4 | 0 | 0 | 0 | 111.5 | R86 E87 A92 Y93 H94 | R86-N90 WeakPolarHBondContact O-CB 3.33Å; R86-N90 VanDerWaalsContact O-CG 3.24Å; R86-N90 PolarHBondContact O-N 3.05Å; E87-N90 PolarHBondContact O-N 2.77Å; N90-A92 PolarHBondContact O-N 2.98Å; N90-Y93 PolarHBondContact O-N 2.9Å; N90-H94 PolarHBondContact O-CD2 3.48Å; N90-H94 PolarHBondContact O-N 3.04Å |
| 91 | K | 97 | Very high | 91.1 | Very high | 155 Ų | 155 | 94 Ų | 94 | 67% | 0.674 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.6 | -41.8 | 177.5 | -173.6 | 174.8 | -177.9 | 175.2 | 0 | 112.1 | E87 Q88 V89 A95 | E87-K91 VanDerWaalsContact O-CB 3.31Å; E87-K91 WeakPolarHBondContact O-CB 2.99Å; E87-K91 PolarHBondContact O-N 2.88Å; Q88-K91 PolarHBondContact O-N 3.04Å; V89-K91 PolarHBondContact O-N 3.45Å; K91-A95 WeakPolarHBondContact O-CB 3.46Å; K91-A95 PolarHBondContact O-N 2.84Å |
| 92 | A | 97.4 | Very high | 92.6 | Very high | 62 Ų | 62 | 95.3 Ų | 95.3 | 51% | 0.512 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q88 V89 N90 A95 Y96 | Q88-A92 WeakPolarHBondContact O-CB 3.29Å; Q88-A92 PolarHBondContact O-N 2.77Å; V89-A92 PolarHBondContact O-N 2.7Å; N90-A92 PolarHBondContact O-N 2.98Å; A92-A95 PolarHBondContact O-N 3.31Å; A92-Y96 WeakPolarHBondContact O-CB 3.39Å; A92-Y96 PolarHBondContact O-N 2.9Å |
| 93 | Y | 98 | Very high | 93.9 | Very high | 143 Ų | 143 | 98.6 Ų | 98.6 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | 175.4 | 176.9 | -96.7 | 0 | 0 | 0 | 112.2 | V89 N90 Y96 R97 | V89-Y93 WeakPolarHBondContact O-CB 3.45Å; V89-Y93 PolarHBondContact O-N 3.43Å; N90-Y93 PolarHBondContact O-N 2.9Å; Y93-Y96 PolarHBondContact O-N 3.09Å; Y93-R97 WeakPolarHBondContact O-CB 3.35Å; Y93-R97 PolarHBondContact O-N 2.85Å |
| 94 | H | 98.3 | Very high | 94.9 | Very high | 115 Ų | 115 | 99.4 Ų | 99.4 | 53% | 0.532 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 174.5 | -75.3 | -64.2 | 0 | 0 | 0 | 111.7 | N90 Y96 R97 E98 | N90-H94 PolarHBondContact O-CD2 3.48Å; N90-H94 PolarHBondContact O-N 3.04Å; H94-Y96 VanDerWaalsContact C-N 3.35Å; H94-Y96 PolarHBondContact O-N 3.19Å; H94-R97 WeakPolarHBondContact O-CB 3.43Å; H94-R97 PolarHBondContact O-N 3.23Å; H94-R97 VanDerWaalsContact O-N 3.12Å; H94-E98 WeakPolarHBondContact O-CG 3.43Å; H94-E98 PolarHBondContact O-N 3.25Å |
| 95 | A | 98.5 | Very high | 95.9 | Very high | 58 Ų | 58 | 100.1 Ų | 100.1 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.4 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K91 A92 R97 E98 V99 | K91-A95 WeakPolarHBondContact O-CB 3.46Å; K91-A95 PolarHBondContact O-N 2.84Å; A92-A95 PolarHBondContact O-N 3.31Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 2.89Å; A95-E98 PolarHBondContact O-N 3.47Å; A95-V99 WeakPolarHBondContact O-CB 3.37Å; A95-V99 VanDerWaalsContact O-CG2 3.3Å; A95-V99 WeakPolarHBondContact O-CG2 3.38Å; A95-V99 PolarHBondContact O-N 3.41Å |
| 96 | Y | 98.5 | Very high | 96.7 | Very high | 151 Ų | 151 | 103.9 Ų | 103.9 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.4 | -40.1 | 174.9 | 172.8 | -100 | 0 | 0 | 0 | 112.6 | A92 Y93 H94 V99 C100 | A92-Y96 WeakPolarHBondContact O-CB 3.39Å; A92-Y96 PolarHBondContact O-N 2.9Å; Y93-Y96 PolarHBondContact O-N 3.09Å; H94-Y96 VanDerWaalsContact C-N 3.35Å; H94-Y96 PolarHBondContact O-N 3.19Å; Y96-V99 PolarHBondContact O-N 2.76Å; Y96-C100 PolarHBondContact O-N 2.86Å; Y96-C100 PolarHBondContact O-SG 2.81Å |
| 97 | R | 98.6 | Very high | 97.3 | Very high | 120 Ų | 120 | 101.5 Ų | 101.5 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | -179.9 | -172.2 | -177.9 | 179 | -75.1 | -5.4 | 112 | Y93 H94 A95 C100 I101 | Y93-R97 WeakPolarHBondContact O-CB 3.35Å; Y93-R97 PolarHBondContact O-N 2.85Å; H94-R97 WeakPolarHBondContact O-CB 3.43Å; H94-R97 PolarHBondContact O-N 3.23Å; H94-R97 VanDerWaalsContact O-N 3.12Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 2.89Å; R97-C100 WeakPolarHBondContact O-CB 3.37Å; R97-C100 PolarHBondContact O-N 3.45Å; R97-I101 VanDerWaalsContact NH1-CD1 3.32Å; R97-I101 PolarHBondContact O-N 3.48Å; R97-I101 VanDerWaalsContact O-N 3.12Å |
| 98 | E | 98.5 | Very high | 97.7 | Very high | 91 Ų | 91 | 98.7 Ų | 98.7 | 43% | 0.425 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70 | -37.6 | 178.2 | -55.5 | -46.1 | 107.8 | 0 | 0 | 111.2 | H94 A95 C100 I101 D102 | H94-E98 WeakPolarHBondContact O-CG 3.43Å; H94-E98 PolarHBondContact O-N 3.25Å; A95-E98 PolarHBondContact O-N 3.47Å; E98-C100 VanDerWaalsContact C-N 3.28Å; E98-C100 PolarHBondContact O-N 2.99Å; E98-I101 WeakPolarHBondContact O-CB 3.48Å; E98-I101 PolarHBondContact O-N 2.91Å; E98-D102 PolarHBondContact O-N 2.94Å |
| 99 | V | 98.6 | Very high | 98.1 | Very high | 95 Ų | 95 | 99.3 Ų | 99.3 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.6 | -34.9 | 171 | 168.5 | 0 | 0 | 0 | 0 | 112.4 | A95 Y96 R103 | A95-V99 WeakPolarHBondContact O-CB 3.37Å; A95-V99 VanDerWaalsContact O-CG2 3.3Å; A95-V99 WeakPolarHBondContact O-CG2 3.38Å; A95-V99 PolarHBondContact O-N 3.41Å; Y96-V99 PolarHBondContact O-N 2.76Å; V99-R103 VanDerWaalsContact O-CB 3.31Å; V99-R103 WeakPolarHBondContact O-CB 3.17Å; V99-R103 PolarHBondContact O-N 3.05Å |
| 100 | C | 98.6 | Very high | 98.3 | Very high | 19 Ų | 19 | 98.9 Ų | 98.9 | 13% | 0.128 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 172.3 | -70.9 | 0 | 0 | 0 | 0 | 112.3 | Y96 R97 E98 R103 D104 | Y96-C100 PolarHBondContact O-N 2.86Å; Y96-C100 PolarHBondContact O-SG 2.81Å; R97-C100 WeakPolarHBondContact O-CB 3.37Å; R97-C100 PolarHBondContact O-N 3.45Å; E98-C100 VanDerWaalsContact C-N 3.28Å; E98-C100 PolarHBondContact O-N 2.99Å; C100-R103 PolarHBondContact O-N 2.94Å; C100-R103 PolarHBondContact SG-NH1 3Å; C100-R103 VanDerWaalsContact SG-NH1 3.41Å; C100-D104 VanDerWaalsContact O-CG 3.24Å; C100-D104 PolarHBondContact O-N 2.58Å |
| 101 | I | 98.6 | Very high | 98.4 | Very high | 63 Ų | 63 | 99 Ų | 99 | 32% | 0.323 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 176.5 | -70.6 | 165.2 | 0 | 0 | 0 | 110.3 | R97 E98 D104 N105 | R97-I101 VanDerWaalsContact NH1-CD1 3.32Å; R97-I101 PolarHBondContact O-N 3.48Å; R97-I101 VanDerWaalsContact O-N 3.12Å; E98-I101 WeakPolarHBondContact O-CB 3.48Å; E98-I101 PolarHBondContact O-N 2.91Å; I101-D104 PolarHBondContact O-N 3.41Å; I101-N105 WeakPolarHBondContact CG2-ND2 3.28Å; I101-N105 WeakPolarHBondContact O-CB 3.27Å; I101-N105 PolarHBondContact O-N 3.37Å; I101-N105 PolarHBondContact O-ND2 3.17Å |
| 102 | D | 98.6 | Very high | 98.5 | Very high | 94 Ų | 94 | 97.6 Ų | 97.6 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 177.2 | -81 | -24.9 | 0 | 0 | 0 | 112.8 | E98 D104 N105 L106 | E98-D102 PolarHBondContact O-N 2.94Å; D102-D104 VanDerWaalsContact C-N 3.34Å; D102-D104 PolarHBondContact O-N 3.24Å; D102-N105 PolarHBondContact O-N 3.31Å; D102-L106 VanDerWaalsContact O-CB 3.29Å; D102-L106 WeakPolarHBondContact O-CB 3.35Å; D102-L106 VanDerWaalsContact O-CG 3.23Å; D102-L106 WeakPolarHBondContact O-CG 3.49Å; D102-L106 PolarHBondContact O-N 3.41Å |
| 103 | R | 98.6 | Very high | 98.6 | Very high | 126 Ų | 126 | 100.7 Ų | 100.7 | 48% | 0.475 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56 | -48.3 | 171.1 | 177.9 | -160.1 | 67.7 | -138.5 | -7.7 | 111.2 | V99 C100 L106 K107 | V99-R103 VanDerWaalsContact O-CB 3.31Å; V99-R103 WeakPolarHBondContact O-CB 3.17Å; V99-R103 PolarHBondContact O-N 3.05Å; C100-R103 PolarHBondContact O-N 2.94Å; C100-R103 PolarHBondContact SG-NH1 3Å; C100-R103 VanDerWaalsContact SG-NH1 3.41Å; R103-L106 PolarHBondContact O-N 2.94Å; R103-K107 WeakPolarHBondContact O-CB 3.28Å; R103-K107 PolarHBondContact O-N 3.22Å |
| 104 | D | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 98 Ų | 98 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.2 | -33.5 | -175.3 | -64.3 | -18.1 | 0 | 0 | 0 | 111.6 | C100 I101 D102 S108 | C100-D104 VanDerWaalsContact O-CG 3.24Å; C100-D104 PolarHBondContact O-N 2.58Å; I101-D104 PolarHBondContact O-N 3.41Å; D102-D104 VanDerWaalsContact C-N 3.34Å; D102-D104 PolarHBondContact O-N 3.24Å; D104-S108 WeakPolarHBondContact O-CB 3.31Å; D104-S108 PolarHBondContact O-N 2.95Å |
| 105 | N | 98.7 | Very high | 98.6 | Very high | 79 Ų | 79 | 97.7 Ų | 97.7 | 42% | 0.422 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 168.6 | -75.8 | -31.5 | 0 | 0 | 0 | 112.3 | I101 D102 S108 K109 | I101-N105 WeakPolarHBondContact CG2-ND2 3.28Å; I101-N105 WeakPolarHBondContact O-CB 3.27Å; I101-N105 PolarHBondContact O-N 3.37Å; I101-N105 PolarHBondContact O-ND2 3.17Å; D102-N105 PolarHBondContact O-N 3.31Å; N105-S108 PolarHBondContact O-N 3.12Å; N105-K109 WeakPolarHBondContact O-CG 3.5Å; N105-K109 PolarHBondContact O-N 2.88Å |
| 106 | L | 98.8 | Very high | 98.6 | Very high | 112 Ų | 112 | 98.3 Ų | 98.3 | 59% | 0.586 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67 | -40.5 | 177.7 | -75 | 169.7 | 0 | 0 | 0 | 111.4 | D102 R103 K109 L110 | D102-L106 VanDerWaalsContact O-CB 3.29Å; D102-L106 WeakPolarHBondContact O-CB 3.35Å; D102-L106 VanDerWaalsContact O-CG 3.23Å; D102-L106 WeakPolarHBondContact O-CG 3.49Å; D102-L106 PolarHBondContact O-N 3.41Å; R103-L106 PolarHBondContact O-N 2.94Å; L106-K109 PolarHBondContact O-N 2.8Å; L106-L110 WeakPolarHBondContact O-CB 3.44Å; L106-L110 PolarHBondContact O-N 2.95Å |
| 107 | K | 98.7 | Very high | 98.6 | Very high | 124 Ų | 124 | 95.3 Ų | 95.3 | 54% | 0.539 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 172.6 | -177.3 | 177.7 | 177 | -176.9 | 0 | 111.3 | R103 K109 L110 D111 | R103-K107 WeakPolarHBondContact O-CB 3.28Å; R103-K107 PolarHBondContact O-N 3.22Å; K107-K109 VanDerWaalsContact C-N 3.31Å; K107-K109 PolarHBondContact O-N 3.43Å; K107-L110 PolarHBondContact O-N 3.02Å; K107-L110 VanDerWaalsContact O-N 3.11Å; K107-D111 WeakPolarHBondContact CG-OD2 3.33Å; K107-D111 WeakPolarHBondContact O-CB 3.43Å; K107-D111 PolarHBondContact O-N 2.98Å |
| 108 | S | 98.7 | Very high | 98.6 | Very high | 76 Ų | 76 | 92.3 Ų | 92.3 | 53% | 0.531 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 176.9 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | D104 N105 K112 | D104-S108 WeakPolarHBondContact O-CB 3.31Å; D104-S108 PolarHBondContact O-N 2.95Å; N105-S108 PolarHBondContact O-N 3.12Å; S108-K112 WeakPolarHBondContact O-CB 3.49Å; S108-K112 PolarHBondContact O-N 3.14Å |
| 109 | K | 98.8 | Very high | 98.6 | Very high | 141 Ų | 141 | 92.6 Ų | 92.6 | 61% | 0.613 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | 173.6 | -72.9 | 168.7 | -178 | 174.2 | 0 | 112.5 | N105 L106 K107 M113 | N105-K109 WeakPolarHBondContact O-CG 3.5Å; N105-K109 PolarHBondContact O-N 2.88Å; L106-K109 PolarHBondContact O-N 2.8Å; K107-K109 VanDerWaalsContact C-N 3.31Å; K107-K109 PolarHBondContact O-N 3.43Å; K109-M113 WeakPolarHBondContact O-CB 3.4Å; K109-M113 PolarHBondContact O-N 2.98Å |
| 110 | L | 98.7 | Very high | 98.6 | Very high | 93 Ų | 93 | 91.7 Ų | 91.7 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.5 | -46.6 | 177 | 178 | 60.9 | 0 | 0 | 0 | 111.6 | L106 K107 K112 M113 N114 | L106-L110 WeakPolarHBondContact O-CB 3.44Å; L106-L110 PolarHBondContact O-N 2.95Å; K107-L110 PolarHBondContact O-N 3.02Å; K107-L110 VanDerWaalsContact O-N 3.11Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 3.2Å; L110-M113 PolarHBondContact O-N 3.14Å; L110-N114 WeakPolarHBondContact O-CB 3.29Å; L110-N114 PolarHBondContact O-N 3.25Å; L110-N114 PolarHBondContact O-ND2 3.03Å |
| 111 | D | 98.6 | Very high | 98.6 | Very high | 85 Ų | 85 | 95.5 Ų | 95.5 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 177.1 | -69.7 | -23.5 | 0 | 0 | 0 | 110.7 | K107 K115 | K107-D111 WeakPolarHBondContact CG-OD2 3.33Å; K107-D111 WeakPolarHBondContact O-CB 3.43Å; K107-D111 PolarHBondContact O-N 2.98Å; D111-K115 WeakPolarHBondContact O-CB 3.41Å; D111-K115 PolarHBondContact O-N 3.49Å |
| 112 | K | 98.8 | Very high | 98.6 | Very high | 125 Ų | 125 | 98.3 Ų | 98.3 | 54% | 0.543 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -49.4 | 171.7 | -172.5 | -176.5 | -175 | -71.5 | 0 | 112.1 | S108 L110 N114 K115 D116 | S108-K112 WeakPolarHBondContact O-CB 3.49Å; S108-K112 PolarHBondContact O-N 3.14Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 3.2Å; K112-N114 VanDerWaalsContact C-N 3.29Å; K112-N114 PolarHBondContact O-N 3.43Å; K112-K115 WeakPolarHBondContact O-CA 3.3Å; K112-K115 WeakPolarHBondContact O-CB 3.34Å; K112-K115 PolarHBondContact O-N 2.93Å; K112-D116 IonicContact NZ-OD1 2.64Å; K112-D116 PolarHBondContact NZ-OD1 3.35Å; K112-D116 IonicContact NZ-OD2 2.63Å; K112-D116 PolarHBondContact NZ-OD2 2.91Å; K112-D116 VanDerWaalsContact O-CG 3.27Å; K112-D116 PolarHBondContact O-N 3.39Å |
| 113 | M | 98.6 | Very high | 98.6 | Very high | 127 Ų | 127 | 97.2 Ų | 97.2 | 63% | 0.626 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.6 | -40.9 | 180 | -174.1 | -173.7 | -64.1 | 0 | 0 | 111.6 | K109 L110 K115 N117 | K109-M113 WeakPolarHBondContact O-CB 3.4Å; K109-M113 PolarHBondContact O-N 2.98Å; L110-M113 PolarHBondContact O-N 3.14Å; M113-K115 VanDerWaalsContact C-N 3.34Å; M113-N117 WeakPolarHBondContact O-CB 3.37Å; M113-N117 PolarHBondContact O-N 3.47Å |
| 114 | N | 98.6 | Very high | 98.6 | Very high | 85 Ų | 85 | 96.3 Ų | 96.3 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -40 | 173.8 | -74.7 | -30.5 | 0 | 0 | 0 | 111.8 | L110 K112 S118 | L110-N114 WeakPolarHBondContact O-CB 3.29Å; L110-N114 PolarHBondContact O-N 3.25Å; L110-N114 PolarHBondContact O-ND2 3.03Å; K112-N114 VanDerWaalsContact C-N 3.29Å; K112-N114 PolarHBondContact O-N 3.43Å; N114-S118 WeakPolarHBondContact O-CB 3.32Å; N114-S118 PolarHBondContact O-N 2.93Å; N114-S118 PolarHBondContact O-OG 3.13Å |
| 115 | K | 98.7 | Very high | 98.6 | Very high | 109 Ų | 109 | 96.2 Ų | 96.2 | 47% | 0.474 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -53.5 | 175.7 | -165.8 | 72.8 | -179.7 | 71.9 | 0 | 111.6 | D111 K112 M113 N117 S118 E119 | D111-K115 WeakPolarHBondContact O-CB 3.41Å; D111-K115 PolarHBondContact O-N 3.49Å; K112-K115 WeakPolarHBondContact O-CA 3.3Å; K112-K115 WeakPolarHBondContact O-CB 3.34Å; K112-K115 PolarHBondContact O-N 2.93Å; M113-K115 VanDerWaalsContact C-N 3.34Å; K115-N117 VanDerWaalsContact C-N 3.28Å; K115-N117 PolarHBondContact O-N 2.84Å; K115-S118 PolarHBondContact O-N 3.28Å; K115-S118 VanDerWaalsContact O-N 3.09Å; K115-S118 PolarHBondContact O-OG 3.43Å; K115-E119 IonicContact NZ-OE1 2.7Å; K115-E119 PolarHBondContact NZ-OE1 3.38Å; K115-E119 PolarHBondContact O-N 3.31Å |
| 116 | D | 98.5 | Very high | 98.6 | Very high | 72 Ų | 72 | 96.6 Ų | 96.6 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.5 | -42.7 | 178.7 | -62.7 | -10.6 | 0 | 0 | 0 | 110.7 | K112 E119 S120 | K112-D116 IonicContact NZ-OD1 2.64Å; K112-D116 PolarHBondContact NZ-OD1 3.35Å; K112-D116 IonicContact NZ-OD2 2.63Å; K112-D116 PolarHBondContact NZ-OD2 2.91Å; K112-D116 VanDerWaalsContact O-CG 3.27Å; K112-D116 PolarHBondContact O-N 3.39Å; D116-E119 PolarHBondContact O-N 2.84Å; D116-S120 WeakPolarHBondContact O-CB 3.47Å; D116-S120 PolarHBondContact O-N 2.92Å |
| 117 | N | 98.5 | Very high | 98.6 | Very high | 87 Ų | 87 | 96.8 Ų | 96.8 | 47% | 0.465 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 175.7 | -176.3 | 48.6 | 0 | 0 | 0 | 112.6 | M113 K115 E119 S120 L121 | M113-N117 WeakPolarHBondContact O-CB 3.37Å; M113-N117 PolarHBondContact O-N 3.47Å; K115-N117 VanDerWaalsContact C-N 3.28Å; K115-N117 PolarHBondContact O-N 2.84Å; N117-E119 VanDerWaalsContact C-N 3.29Å; N117-E119 PolarHBondContact O-N 2.87Å; N117-S120 PolarHBondContact O-N 2.92Å; N117-L121 WeakPolarHBondContact O-CB 3.4Å; N117-L121 WeakPolarHBondContact O-CG 3.32Å; N117-L121 PolarHBondContact O-N 3.43Å |
| 118 | S | 98.5 | Very high | 98.6 | Very high | 57 Ų | 57 | 95.4 Ų | 95.4 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -34.6 | 176.9 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | N114 K115 K122 | N114-S118 WeakPolarHBondContact O-CB 3.32Å; N114-S118 PolarHBondContact O-N 2.93Å; N114-S118 PolarHBondContact O-OG 3.13Å; K115-S118 PolarHBondContact O-N 3.28Å; K115-S118 VanDerWaalsContact O-N 3.09Å; K115-S118 PolarHBondContact O-OG 3.43Å; S118-K122 WeakPolarHBondContact O-CB 3.48Å; S118-K122 PolarHBondContact O-N 3.21Å; S118-K122 VanDerWaalsContact O-N 3.08Å |
| 119 | E | 98.6 | Very high | 98.6 | Very high | 97 Ų | 97 | 96.6 Ų | 96.6 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.9 | -42.7 | 175.9 | -70.7 | 179.6 | -174.3 | 0 | 0 | 111.4 | K115 D116 N117 L121 K122 V123 | K115-E119 IonicContact NZ-OE1 2.7Å; K115-E119 PolarHBondContact NZ-OE1 3.38Å; K115-E119 PolarHBondContact O-N 3.31Å; D116-E119 PolarHBondContact O-N 2.84Å; N117-E119 VanDerWaalsContact C-N 3.29Å; N117-E119 PolarHBondContact O-N 2.87Å; E119-L121 PolarHBondContact O-N 2.78Å; E119-K122 WeakPolarHBondContact O-CB 3.39Å; E119-K122 PolarHBondContact O-N 3.29Å; E119-V123 WeakPolarHBondContact O-CG2 3.37Å; E119-V123 PolarHBondContact O-N 2.96Å |
| 120 | S | 98.4 | Very high | 98.6 | Very high | 76 Ų | 76 | 93.3 Ų | 93.3 | 53% | 0.531 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 173.9 | -173.5 | 0 | 0 | 0 | 0 | 112 | D116 N117 K122 V123 L124 | D116-S120 WeakPolarHBondContact O-CB 3.47Å; D116-S120 PolarHBondContact O-N 2.92Å; N117-S120 PolarHBondContact O-N 2.92Å; S120-K122 PolarHBondContact O-N 3.29Å; S120-V123 PolarHBondContact O-N 2.97Å; S120-L124 WeakPolarHBondContact O-CB 3.47Å; S120-L124 PolarHBondContact O-N 3.21Å |
| 121 | L | 98.6 | Very high | 98.6 | Very high | 99 Ų | 99 | 94.5 Ų | 94.5 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 175.4 | -73.7 | 169.8 | 0 | 0 | 0 | 112.4 | N117 E119 L124 N125 | N117-L121 WeakPolarHBondContact O-CB 3.4Å; N117-L121 WeakPolarHBondContact O-CG 3.32Å; N117-L121 PolarHBondContact O-N 3.43Å; E119-L121 PolarHBondContact O-N 2.78Å; L121-L124 PolarHBondContact O-N 3.39Å; L121-N125 WeakPolarHBondContact O-CB 3.24Å; L121-N125 PolarHBondContact O-N 2.84Å |
| 122 | K | 98.7 | Very high | 98.6 | Very high | 123 Ų | 123 | 95.4 Ų | 95.4 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 175.3 | -179 | 176.3 | 177.7 | -71.5 | 0 | 111.6 | S118 E119 S120 L124 N125 E126 | S118-K122 WeakPolarHBondContact O-CB 3.48Å; S118-K122 PolarHBondContact O-N 3.21Å; S118-K122 VanDerWaalsContact O-N 3.08Å; E119-K122 WeakPolarHBondContact O-CB 3.39Å; E119-K122 PolarHBondContact O-N 3.29Å; S120-K122 PolarHBondContact O-N 3.29Å; K122-L124 PolarHBondContact O-N 2.94Å; K122-N125 PolarHBondContact O-N 3.22Å; K122-E126 WeakPolarHBondContact CE-OE1 3.31Å; K122-E126 IonicContact NZ-OE1 3.77Å; K122-E126 PolarHBondContact NZ-OE1 3.41Å; K122-E126 IonicContact NZ-OE2 2.84Å; K122-E126 WeakPolarHBondContact O-CG 3.28Å; K122-E126 PolarHBondContact O-N 3.25Å |
| 123 | V | 98.7 | Very high | 98.6 | Very high | 71 Ų | 71 | 93.9 Ų | 93.9 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | E119 S120 N125 E126 Q127 | E119-V123 WeakPolarHBondContact O-CG2 3.37Å; E119-V123 PolarHBondContact O-N 2.96Å; S120-V123 PolarHBondContact O-N 2.97Å; V123-N125 VanDerWaalsContact C-N 3.35Å; V123-N125 PolarHBondContact O-N 2.95Å; V123-E126 PolarHBondContact O-N 2.87Å; V123-Q127 WeakPolarHBondContact O-CG 3.35Å; V123-Q127 PolarHBondContact O-N 2.98Å |
| 124 | L | 98.6 | Very high | 98.6 | Very high | 106 Ų | 106 | 91.7 Ų | 91.7 | 56% | 0.555 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.1 | -39.4 | 175.7 | -176.4 | 62.2 | 0 | 0 | 0 | 112 | S120 L121 K122 Q127 L128 | S120-L124 WeakPolarHBondContact O-CB 3.47Å; S120-L124 PolarHBondContact O-N 3.21Å; L121-L124 PolarHBondContact O-N 3.39Å; K122-L124 PolarHBondContact O-N 2.94Å; L124-Q127 PolarHBondContact O-N 3.42Å; L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 PolarHBondContact O-N 3.5Å |
| 125 | N | 98.6 | Very high | 98.6 | Very high | 77 Ų | 77 | 91.9 Ų | 91.9 | 41% | 0.412 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 174.4 | -176.8 | 94.9 | 0 | 0 | 0 | 112.1 | L121 K122 V123 Q127 L128 Q129 | L121-N125 WeakPolarHBondContact O-CB 3.24Å; L121-N125 PolarHBondContact O-N 2.84Å; K122-N125 PolarHBondContact O-N 3.22Å; V123-N125 VanDerWaalsContact C-N 3.35Å; V123-N125 PolarHBondContact O-N 2.95Å; N125-Q127 VanDerWaalsContact C-N 3.35Å; N125-L128 PolarHBondContact O-N 2.72Å; N125-Q129 VanDerWaalsContact ND2-CD 3.25Å; N125-Q129 PolarHBondContact ND2-NE2 2.88Å; N125-Q129 VanDerWaalsContact ND2-NE2 3.14Å; N125-Q129 PolarHBondContact ND2-OE1 3.42Å; N125-Q129 WeakPolarHBondContact O-CG 3.48Å; N125-Q129 PolarHBondContact O-N 2.98Å |
| 126 | E | 98.6 | Very high | 98.6 | Very high | 87 Ų | 87 | 91.6 Ų | 91.6 | 41% | 0.407 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 174.6 | -73.8 | 170.2 | 168.8 | 0 | 0 | 111.8 | K122 V123 S130 | K122-E126 WeakPolarHBondContact CE-OE1 3.31Å; K122-E126 IonicContact NZ-OE1 3.77Å; K122-E126 PolarHBondContact NZ-OE1 3.41Å; K122-E126 IonicContact NZ-OE2 2.84Å; K122-E126 WeakPolarHBondContact O-CG 3.28Å; K122-E126 PolarHBondContact O-N 3.25Å; V123-E126 PolarHBondContact O-N 2.87Å; E126-S130 WeakPolarHBondContact O-CB 3.36Å; E126-S130 PolarHBondContact O-N 2.69Å |
| 127 | Q | 98.7 | Very high | 98.6 | Very high | 116 Ų | 116 | 94.5 Ų | 94.5 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 172.7 | -73.1 | 177.3 | 6.9 | 0 | 0 | 112.4 | V123 L124 N125 S130 K131 | V123-Q127 WeakPolarHBondContact O-CG 3.35Å; V123-Q127 PolarHBondContact O-N 2.98Å; L124-Q127 PolarHBondContact O-N 3.42Å; N125-Q127 VanDerWaalsContact C-N 3.35Å; Q127-S130 PolarHBondContact O-N 2.9Å; Q127-K131 WeakPolarHBondContact O-CG 3.45Å; Q127-K131 PolarHBondContact O-N 2.65Å |
| 128 | L | 98.6 | Very high | 98.6 | Very high | 95 Ų | 95 | 95 Ų | 95 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -52.4 | 175.4 | 177.2 | 61.1 | 0 | 0 | 0 | 110.8 | L124 N125 S130 K131 E132 | L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 PolarHBondContact O-N 3.5Å; N125-L128 PolarHBondContact O-N 2.72Å; L128-S130 VanDerWaalsContact C-N 3.32Å; L128-S130 PolarHBondContact O-N 2.88Å; L128-K131 CarbonylContact O-C 3.59Å; L128-K131 WeakPolarHBondContact O-CA 3.5Å; L128-K131 PolarHBondContact O-N 3.34Å; L128-E132 HydrophobicContact CD1-CG 4.43Å; L128-E132 WeakPolarHBondContact O-CG 3.4Å; L128-E132 PolarHBondContact O-N 3.07Å |
| 129 | Q | 98.7 | Very high | 98.6 | Very high | 100 Ų | 100 | 100.2 Ų | 100.2 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 178.6 | -71.7 | 176.6 | -14.2 | 0 | 0 | 112.1 | N125 K131 E132 V133 | N125-Q129 VanDerWaalsContact ND2-CD 3.25Å; N125-Q129 PolarHBondContact ND2-NE2 2.88Å; N125-Q129 VanDerWaalsContact ND2-NE2 3.14Å; N125-Q129 PolarHBondContact ND2-OE1 3.42Å; N125-Q129 WeakPolarHBondContact O-CG 3.48Å; N125-Q129 PolarHBondContact O-N 2.98Å; Q129-K131 VanDerWaalsContact C-N 3.29Å; Q129-K131 PolarHBondContact O-N 3.25Å; Q129-E132 PolarHBondContact O-N 2.89Å; Q129-V133 WeakPolarHBondContact O-CG2 3.39Å; Q129-V133 PolarHBondContact O-N 3.44Å |
| 130 | S | 98.7 | Very high | 98.6 | Very high | 73 Ų | 73 | 99.5 Ų | 99.5 | 51% | 0.51 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -37.3 | 173 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | E126 Q127 L128 E134 | E126-S130 WeakPolarHBondContact O-CB 3.36Å; E126-S130 PolarHBondContact O-N 2.69Å; Q127-S130 PolarHBondContact O-N 2.9Å; L128-S130 VanDerWaalsContact C-N 3.32Å; L128-S130 PolarHBondContact O-N 2.88Å; S130-E134 WeakPolarHBondContact O-CB 3.37Å; S130-E134 PolarHBondContact O-N 2.95Å |
| 131 | K | 98.6 | Very high | 98.6 | Very high | 117 Ų | 117 | 100.5 Ų | 100.5 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -77.9 | -30.1 | 177.8 | -74 | -62.3 | -178.2 | -164 | 0 | 113.5 | Q127 L128 Q129 E134 L135 | Q127-K131 WeakPolarHBondContact O-CG 3.45Å; Q127-K131 PolarHBondContact O-N 2.65Å; L128-K131 CarbonylContact O-C 3.59Å; L128-K131 WeakPolarHBondContact O-CA 3.5Å; L128-K131 PolarHBondContact O-N 3.34Å; Q129-K131 VanDerWaalsContact C-N 3.29Å; Q129-K131 PolarHBondContact O-N 3.25Å; K131-E134 WeakPolarHBondContact CD-OE2 3.37Å; K131-E134 IonicContact NZ-OE1 3.48Å; K131-E134 PolarHBondContact NZ-OE1 3.42Å; K131-E134 IonicContact NZ-OE2 2.68Å; K131-E134 PolarHBondContact NZ-OE2 3.03Å; K131-L135 VanDerWaalsContact O-CB 3.24Å; K131-L135 WeakPolarHBondContact O-CB 3.45Å; K131-L135 PolarHBondContact O-N 3.4Å |
| 132 | E | 98.5 | Very high | 98.5 | Very high | 104 Ų | 104 | 100.2 Ų | 100.2 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 169.4 | -69.5 | 174.5 | 147.7 | 0 | 0 | 111 | L128 Q129 L135 L136 | L128-E132 HydrophobicContact CD1-CG 4.43Å; L128-E132 WeakPolarHBondContact O-CG 3.4Å; L128-E132 PolarHBondContact O-N 3.07Å; Q129-E132 PolarHBondContact O-N 2.89Å; E132-L135 PolarHBondContact O-N 3.02Å; E132-L136 VanDerWaalsContact O-CG 3.31Å; E132-L136 WeakPolarHBondContact O-CG 3.44Å; E132-L136 PolarHBondContact O-N 2.93Å |
| 133 | V | 98.7 | Very high | 98.5 | Very high | 93 Ų | 93 | 100.7 Ų | 100.7 | 56% | 0.564 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.4 | -44.6 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | Q129 L135 L136 Q137 | Q129-V133 WeakPolarHBondContact O-CG2 3.39Å; Q129-V133 PolarHBondContact O-N 3.44Å; V133-L135 VanDerWaalsContact C-N 3.32Å; V133-L135 PolarHBondContact O-N 3.43Å; V133-L136 PolarHBondContact O-N 3.29Å; V133-Q137 PolarHBondContact O-N 3.36Å |
| 134 | E | 98.5 | Very high | 98.3 | Very high | 82 Ų | 82 | 100.7 Ų | 100.7 | 38% | 0.383 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 175.1 | -176 | -179.3 | 128.5 | 0 | 0 | 111.8 | S130 K131 Q137 L138 | S130-E134 WeakPolarHBondContact O-CB 3.37Å; S130-E134 PolarHBondContact O-N 2.95Å; K131-E134 WeakPolarHBondContact CD-OE2 3.37Å; K131-E134 IonicContact NZ-OE1 3.48Å; K131-E134 PolarHBondContact NZ-OE1 3.42Å; K131-E134 IonicContact NZ-OE2 2.68Å; K131-E134 PolarHBondContact NZ-OE2 3.03Å; E134-Q137 PolarHBondContact O-N 3.04Å; E134-L138 HydrophobicContact CG-CD1 4.3Å; E134-L138 WeakPolarHBondContact O-CB 3.39Å; E134-L138 VanDerWaalsContact O-CG 3.32Å; E134-L138 WeakPolarHBondContact O-CG 3.16Å; E134-L138 PolarHBondContact O-N 3.39Å |
| 135 | L | 98.7 | Very high | 98.2 | Very high | 89 Ų | 89 | 100 Ų | 100 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 177.6 | -172.4 | 155 | 0 | 0 | 0 | 112.1 | K131 E132 V133 R139 | K131-L135 VanDerWaalsContact O-CB 3.24Å; K131-L135 WeakPolarHBondContact O-CB 3.45Å; K131-L135 PolarHBondContact O-N 3.4Å; E132-L135 PolarHBondContact O-N 3.02Å; V133-L135 VanDerWaalsContact C-N 3.32Å; V133-L135 PolarHBondContact O-N 3.43Å; L135-R139 HydrophobicContact CD2-CG 4.29Å; L135-R139 WeakPolarHBondContact O-CG 3.41Å; L135-R139 PolarHBondContact O-N 2.95Å |
| 136 | L | 98.7 | Very high | 98 | Very high | 103 Ų | 103 | 100.4 Ų | 100.4 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 173.2 | -73.6 | 168.9 | 0 | 0 | 0 | 111.4 | E132 V133 R139 T140 | E132-L136 VanDerWaalsContact O-CG 3.31Å; E132-L136 WeakPolarHBondContact O-CG 3.44Å; E132-L136 PolarHBondContact O-N 2.93Å; V133-L136 PolarHBondContact O-N 3.29Å; L136-R139 PolarHBondContact O-N 2.99Å; L136-T140 PolarHBondContact O-N 2.94Å; L136-T140 PolarHBondContact O-OG1 3.26Å; L136-T140 VanDerWaalsContact O-OG1 3.07Å |
| 137 | Q | 98.6 | Very high | 97.8 | Very high | 133 Ų | 133 | 99.6 Ų | 99.6 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.3 | -46.9 | 175.6 | -178.6 | 176.3 | -15.7 | 0 | 0 | 111.6 | V133 E134 R139 T140 E141 | V133-Q137 PolarHBondContact O-N 3.36Å; E134-Q137 PolarHBondContact O-N 3.04Å; Q137-R139 VanDerWaalsContact C-N 3.32Å; Q137-R139 PolarHBondContact O-N 3.35Å; Q137-T140 PolarHBondContact O-N 3.5Å; Q137-E141 PolarHBondContact O-N 2.97Å |
| 138 | L | 98.6 | Very high | 97.4 | Very high | 96 Ų | 96 | 99.1 Ų | 99.1 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -36.4 | 177 | -73.1 | 169.5 | 0 | 0 | 0 | 112.4 | E134 E141 V142 | E134-L138 HydrophobicContact CG-CD1 4.3Å; E134-L138 WeakPolarHBondContact O-CB 3.39Å; E134-L138 VanDerWaalsContact O-CG 3.32Å; E134-L138 WeakPolarHBondContact O-CG 3.16Å; E134-L138 PolarHBondContact O-N 3.39Å; L138-E141 PolarHBondContact O-N 3.49Å; L138-V142 WeakPolarHBondContact O-CB 3.42Å; L138-V142 VanDerWaalsContact O-CG2 3.32Å; L138-V142 WeakPolarHBondContact O-CG2 3.5Å; L138-V142 PolarHBondContact O-N 2.93Å |
| 139 | R | 98.4 | Very high | 97 | Very high | 168 Ų | 168 | 101.5 Ų | 101.5 | 63% | 0.634 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.6 | -48.2 | 172 | -77.8 | -178.2 | 179.2 | -158.2 | 3.6 | 111.7 | L135 L136 Q137 E141 V142 E143 | L135-R139 HydrophobicContact CD2-CG 4.29Å; L135-R139 WeakPolarHBondContact O-CG 3.41Å; L135-R139 PolarHBondContact O-N 2.95Å; L136-R139 PolarHBondContact O-N 2.99Å; Q137-R139 VanDerWaalsContact C-N 3.32Å; Q137-R139 PolarHBondContact O-N 3.35Å; R139-E141 VanDerWaalsContact C-N 3.29Å; R139-E141 PolarHBondContact O-N 3.47Å; R139-V142 PolarHBondContact O-N 2.91Å; R139-E143 WeakPolarHBondContact O-CB 3.36Å; R139-E143 PolarHBondContact O-N 3.46Å |
| 140 | T | 98.2 | Very high | 96.4 | Very high | 82 Ų | 82 | 101.8 Ų | 101.8 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -37.5 | 177.8 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | L136 Q137 T144 | L136-T140 PolarHBondContact O-N 2.94Å; L136-T140 PolarHBondContact O-OG1 3.26Å; L136-T140 VanDerWaalsContact O-OG1 3.07Å; Q137-T140 PolarHBondContact O-N 3.5Å; T140-T144 VanDerWaalsContact O-CB 3.28Å; T140-T144 WeakPolarHBondContact O-CB 3.37Å; T140-T144 PolarHBondContact O-N 2.95Å; T140-T144 PolarHBondContact O-OG1 3.43Å |
| 141 | E | 97.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 104.7 Ų | 104.7 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -49.2 | 174.1 | -176 | 175.3 | 177.8 | 0 | 0 | 111.6 | Q137 L138 R139 E143 T144 Q145 | Q137-E141 PolarHBondContact O-N 2.97Å; L138-E141 PolarHBondContact O-N 3.49Å; R139-E141 VanDerWaalsContact C-N 3.29Å; R139-E141 PolarHBondContact O-N 3.47Å; E141-E143 VanDerWaalsContact C-N 3.33Å; E141-E143 PolarHBondContact O-N 2.92Å; E141-T144 PolarHBondContact O-N 3.32Å; E141-Q145 HydrophobicContact CG-CG 4.28Å; E141-Q145 WeakPolarHBondContact O-CB 3.41Å; E141-Q145 VanDerWaalsContact O-CG 3.3Å; E141-Q145 WeakPolarHBondContact O-CG 3.37Å; E141-Q145 PolarHBondContact O-N 3.48Å; E141-Q145 PolarHBondContact OE1-NE2 2.92Å |
| 142 | V | 97.8 | Very high | 95.1 | Very high | 94 Ų | 94 | 105.2 Ų | 105.2 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.8 | -41.2 | 177.6 | 168.4 | 0 | 0 | 0 | 0 | 111.7 | L138 R139 Q145 Q146 | L138-V142 WeakPolarHBondContact O-CB 3.42Å; L138-V142 VanDerWaalsContact O-CG2 3.32Å; L138-V142 WeakPolarHBondContact O-CG2 3.5Å; L138-V142 PolarHBondContact O-N 2.93Å; R139-V142 PolarHBondContact O-N 2.91Å; V142-Q145 PolarHBondContact O-N 2.91Å; V142-Q146 WeakPolarHBondContact O-CB 3.4Å; V142-Q146 PolarHBondContact O-N 3.33Å |
| 143 | E | 97.2 | Very high | 94 | Very high | 132 Ų | 132 | 104.9 Ų | 104.9 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.5 | -45.3 | 174.8 | -176 | 168.6 | -157.9 | 0 | 0 | 111.5 | R139 E141 Q146 V147 | R139-E143 WeakPolarHBondContact O-CB 3.36Å; R139-E143 PolarHBondContact O-N 3.46Å; E141-E143 VanDerWaalsContact C-N 3.33Å; E141-E143 PolarHBondContact O-N 2.92Å; E143-Q146 PolarHBondContact O-N 3.34Å; E143-V147 WeakPolarHBondContact O-CG2 3.34Å; E143-V147 PolarHBondContact O-N 3.4Å |
| 144 | T | 96.3 | Very high | 92.4 | Very high | 71 Ų | 71 | 104.2 Ų | 104.2 | 44% | 0.436 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 176.1 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | T140 E141 Q146 V147 M148 | T140-T144 VanDerWaalsContact O-CB 3.28Å; T140-T144 WeakPolarHBondContact O-CB 3.37Å; T140-T144 PolarHBondContact O-N 2.95Å; T140-T144 PolarHBondContact O-OG1 3.43Å; E141-T144 PolarHBondContact O-N 3.32Å; T144-Q146 VanDerWaalsContact C-N 3.31Å; T144-Q146 PolarHBondContact O-N 2.92Å; T144-V147 PolarHBondContact O-N 2.99Å; T144-M148 HydrophobicContact CG2-CE 4.31Å; T144-M148 WeakPolarHBondContact O-CB 3.32Å; T144-M148 WeakPolarHBondContact O-CG 3.37Å; T144-M148 PolarHBondContact O-N 3.08Å |
| 145 | Q | 94.8 | Very high | 90.7 | Very high | 91 Ų | 91 | 104.7 Ų | 104.7 | 43% | 0.425 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 174.6 | -72.5 | -178.4 | 17.2 | 0 | 0 | 111.3 | E141 V142 M148 R149 | E141-Q145 HydrophobicContact CG-CG 4.28Å; E141-Q145 WeakPolarHBondContact O-CB 3.41Å; E141-Q145 VanDerWaalsContact O-CG 3.3Å; E141-Q145 WeakPolarHBondContact O-CG 3.37Å; E141-Q145 PolarHBondContact O-N 3.48Å; E141-Q145 PolarHBondContact OE1-NE2 2.92Å; V142-Q145 PolarHBondContact O-N 2.91Å; Q145-M148 HydrophobicContact CG-CE 4.36Å; Q145-R149 VanDerWaalsContact O-CB 3.29Å; Q145-R149 WeakPolarHBondContact O-CB 3.42Å; Q145-R149 PolarHBondContact O-N 3.44Å |
| 146 | Q | 94.8 | Very high | 89.1 | Confident | 86 Ų | 86 | 101.6 Ų | 101.6 | 40% | 0.402 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.7 | -40.8 | 176.5 | -173.5 | 59.4 | 47.3 | 0 | 0 | 112.3 | V142 E143 T144 R149 N150 | V142-Q146 WeakPolarHBondContact O-CB 3.4Å; V142-Q146 PolarHBondContact O-N 3.33Å; E143-Q146 PolarHBondContact O-N 3.34Å; T144-Q146 VanDerWaalsContact C-N 3.31Å; T144-Q146 PolarHBondContact O-N 2.92Å; Q146-R149 WeakPolarHBondContact O-CB 3.49Å; Q146-R149 PolarHBondContact O-N 3.21Å; Q146-N150 PolarHBondContact NE2-OD1 3.41Å; Q146-N150 PolarHBondContact O-N 2.65Å; Q146-N150 PolarHBondContact O-ND2 3.2Å; Q146-N150 PolarHBondContact O-OD1 2.91Å |
| 147 | V | 94.6 | Very high | 87.6 | Confident | 71 Ų | 71 | 102 Ų | 102 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | E143 T144 R149 N150 L151 | E143-V147 WeakPolarHBondContact O-CG2 3.34Å; E143-V147 PolarHBondContact O-N 3.4Å; T144-V147 PolarHBondContact O-N 2.99Å; V147-R149 VanDerWaalsContact C-N 3.3Å; V147-R149 PolarHBondContact O-N 3.14Å; V147-N150 PolarHBondContact O-N 3.49Å; V147-N150 VanDerWaalsContact O-N 3.13Å; V147-L151 HydrophobicContact CG1-CD1 3.88Å; V147-L151 HydrophobicContact CG1-CG 4.38Å; V147-L151 WeakPolarHBondContact O-CG 3.48Å; V147-L151 PolarHBondContact O-N 3.28Å |
| 148 | M | 91.2 | Very high | 86.3 | Confident | 106 Ų | 106 | 103.4 Ų | 103.4 | 52% | 0.522 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 174.1 | -72.1 | -168.8 | -60.2 | 0 | 0 | 112.2 | T144 Q145 N150 L151 N152 | T144-M148 HydrophobicContact CG2-CE 4.31Å; T144-M148 WeakPolarHBondContact O-CB 3.32Å; T144-M148 WeakPolarHBondContact O-CG 3.37Å; T144-M148 PolarHBondContact O-N 3.08Å; Q145-M148 HydrophobicContact CG-CE 4.36Å; M148-N150 VanDerWaalsContact C-N 3.32Å; M148-N150 PolarHBondContact O-N 2.58Å; M148-L151 PolarHBondContact O-N 2.85Å; M148-N152 PolarHBondContact O-N 3.01Å |
| 149 | R | 88.9 | Confident | 85.3 | Confident | 144 Ų | 144 | 103 Ų | 103 | 54% | 0.543 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.3 | -29.2 | 175.4 | -167.2 | -171.4 | -131.9 | 125.7 | 5.4 | 113.3 | Q145 Q146 V147 N152 P153 P154 | Q145-R149 VanDerWaalsContact O-CB 3.29Å; Q145-R149 WeakPolarHBondContact O-CB 3.42Å; Q145-R149 PolarHBondContact O-N 3.44Å; Q146-R149 WeakPolarHBondContact O-CB 3.49Å; Q146-R149 PolarHBondContact O-N 3.21Å; V147-R149 VanDerWaalsContact C-N 3.3Å; V147-R149 PolarHBondContact O-N 3.14Å; R149-N152 CarbonylContact O-C 3.59Å; R149-N152 VanDerWaalsContact O-O 3.14Å; R149-P153 WeakPolarHBondContact O-CA 3.23Å; R149-P154 HydrophobicContact CG-CG 3.79Å |
| 150 | N | 87.1 | Confident | 84.6 | Confident | 106 Ų | 106 | 98.4 Ų | 98.4 | 57% | 0.567 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -77.6 | -36.4 | 175.1 | -66.8 | -13.8 | 0 | 0 | 0 | 111.7 | Q146 V147 M148 | Q146-N150 PolarHBondContact NE2-OD1 3.41Å; Q146-N150 PolarHBondContact O-N 2.65Å; Q146-N150 PolarHBondContact O-ND2 3.2Å; Q146-N150 PolarHBondContact O-OD1 2.91Å; V147-N150 PolarHBondContact O-N 3.49Å; V147-N150 VanDerWaalsContact O-N 3.13Å; M148-N150 VanDerWaalsContact C-N 3.32Å; M148-N150 PolarHBondContact O-N 2.58Å |
| 151 | L | 88.1 | Confident | 83.7 | Confident | 134 Ų | 134 | 99.5 Ų | 99.5 | 70% | 0.702 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -79.9 | -38.7 | -179.4 | -68.4 | 174 | 0 | 0 | 0 | 112.9 | V147 M148 P153 | V147-L151 HydrophobicContact CG1-CD1 3.88Å; V147-L151 HydrophobicContact CG1-CG 4.38Å; V147-L151 WeakPolarHBondContact O-CG 3.48Å; V147-L151 PolarHBondContact O-N 3.28Å; M148-L151 PolarHBondContact O-N 2.85Å; L151-P153 WeakPolarHBondContact O-CD 3.29Å |
| 152 | N | 82.3 | Confident | 83.2 | Confident | 129 Ų | 129 | 100.1 Ų | 100.1 | 69% | 0.69 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -113.5 | 87.8 | 165.4 | -70.4 | -61.1 | 0 | 0 | 0 | 107.9 | M148 R149 P154 | M148-N152 PolarHBondContact O-N 3.01Å; R149-N152 CarbonylContact O-C 3.59Å; R149-N152 VanDerWaalsContact O-O 3.14Å; N152-P154 VanDerWaalsContact O-CD 3.28Å; N152-P154 WeakPolarHBondContact O-CD 3.46Å; N152-P154 VanDerWaalsContact O-N 3.1Å |
| 153 | P | 74.1 | Confident | 82.7 | Confident | 97 Ų | 97 | 101.4 Ų | 101.4 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | trans | -51 | 119.8 | 167.8 | -24.5 | 34.1 | 0 | 0 | 0 | 108.4 | R149 L151 S155 | R149-P153 WeakPolarHBondContact O-CA 3.23Å; L151-P153 WeakPolarHBondContact O-CD 3.29Å; P153-S155 PolarHBondContact O-N 3.04Å | ||
| 154 | P | 64.9 | Low | 82.3 | Confident | 79 Ų | 79 | 98.9 Ų | 98.9 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | trans | -60.2 | 114.9 | 170.2 | -17 | 30 | 0 | 0 | 0 | 105.7 | R149 N152 S156 | R149-P154 HydrophobicContact CG-CG 3.79Å; N152-P154 VanDerWaalsContact O-CD 3.28Å; N152-P154 WeakPolarHBondContact O-CD 3.46Å; N152-P154 VanDerWaalsContact O-N 3.1Å; P154-S156 VanDerWaalsContact O-CA 3.28Å; P154-S156 WeakPolarHBondContact O-CA 3.44Å; P154-S156 PolarHBondContact O-N 3.43Å | ||
| 155 | S | 63 | Low | 82 | Confident | 91 Ų | 91 | 99 Ų | 99 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | trans | -49.8 | 104.8 | 174.6 | 52.3 | 0 | 0 | 0 | 0 | 106.5 | P153 N157 | P153-S155 PolarHBondContact O-N 3.04Å; S155-N157 PolarHBondContact O-N 2.69Å | ||
| 156 | S | 66 | Low | 82 | Confident | 25 Ų | 25 | 98 Ų | 98 | 18% | 0.175 | 52% | 0.518 | C | S | . | . | trans | -68.6 | 141.8 | -153.6 | 70.3 | 0 | 0 | 0 | 0 | 108.5 | P154 W158 E159 V160 | P154-S156 VanDerWaalsContact O-CA 3.28Å; P154-S156 WeakPolarHBondContact O-CA 3.44Å; P154-S156 PolarHBondContact O-N 3.43Å; S156-W158 PolarHBondContact O-N 3.46Å; S156-W158 VanDerWaalsContact OG-CD1 3.27Å; S156-W158 PolarHBondContact OG-NE1 3.44Å; S156-E159 VanDerWaalsContact CB-OE2 3.27Å; S156-E159 WeakPolarHBondContact CB-OE2 3.33Å; S156-E159 PolarHBondContact N-OE2 3.31Å; S156-E159 VanDerWaalsContact N-OE2 3.17Å; S156-E159 WeakPolarHBondContact O-CA 3.47Å; S156-E159 WeakPolarHBondContact O-CB 3.4Å; S156-E159 PolarHBondContact O-N 2.86Å; S156-E159 WeakPolarHBondContact OG-CB 3.46Å; S156-E159 WeakPolarHBondContact OG-CG 3.3Å; S156-E159 PolarHBondContact OG-N 2.92Å; S156-E159 PolarHBondContact OG-OE2 3.36Å; S156-V160 PolarHBondContact O-N 2.92Å | ||
| 157 | N | 66.1 | Low | 82.1 | Confident | 110 Ų | 110 | 100.2 Ų | 100.2 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.4 | -34.6 | -169.5 | -165.2 | 60 | 0 | 0 | 0 | 111 | S155 V160 E161 | S155-N157 PolarHBondContact O-N 2.69Å; N157-V160 PolarHBondContact O-N 3.09Å; N157-E161 PolarHBondContact ND2-OE1 2.84Å; N157-E161 PolarHBondContact ND2-OE2 2.6Å; N157-E161 WeakPolarHBondContact O-CB 3.35Å; N157-E161 WeakPolarHBondContact O-CG 3.46Å; N157-E161 PolarHBondContact O-N 2.97Å |
| 158 | W | 71.8 | Confident | 82.1 | Confident | 163 Ų | 163 | 103.9 Ų | 103.9 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.4 | -31.5 | 173.5 | 76.2 | -96.9 | 0 | 0 | 0 | 114.3 | S156 K162 | S156-W158 PolarHBondContact O-N 3.46Å; S156-W158 VanDerWaalsContact OG-CD1 3.27Å; S156-W158 PolarHBondContact OG-NE1 3.44Å; W158-K162 HydrophobicContact CZ3-CD 4.32Å; W158-K162 WeakPolarHBondContact O-CA 3.47Å; W158-K162 WeakPolarHBondContact O-CB 3.46Å; W158-K162 PolarHBondContact O-N 2.84Å |
| 159 | E | 78.8 | Confident | 82.4 | Confident | 88 Ų | 88 | 103 Ų | 103 | 41% | 0.411 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.8 | -40.9 | 172.5 | -76.7 | 164.1 | 142 | 0 | 0 | 111.5 | S156 K162 L163 | S156-E159 VanDerWaalsContact CB-OE2 3.27Å; S156-E159 WeakPolarHBondContact CB-OE2 3.33Å; S156-E159 PolarHBondContact N-OE2 3.31Å; S156-E159 VanDerWaalsContact N-OE2 3.17Å; S156-E159 WeakPolarHBondContact O-CA 3.47Å; S156-E159 WeakPolarHBondContact O-CB 3.4Å; S156-E159 PolarHBondContact O-N 2.86Å; S156-E159 WeakPolarHBondContact OG-CB 3.46Å; S156-E159 WeakPolarHBondContact OG-CG 3.3Å; S156-E159 PolarHBondContact OG-N 2.92Å; S156-E159 PolarHBondContact OG-OE2 3.36Å; E159-K162 PolarHBondContact O-N 2.82Å; E159-L163 WeakPolarHBondContact O-CB 3.31Å; E159-L163 VanDerWaalsContact O-CG 3.29Å; E159-L163 WeakPolarHBondContact O-CG 3.47Å; E159-L163 PolarHBondContact O-N 2.85Å |
| 160 | V | 81.9 | Confident | 82.7 | Confident | 71 Ų | 71 | 101.7 Ų | 101.7 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.6 | -45.3 | 178 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | S156 N157 L163 S164 | S156-V160 PolarHBondContact O-N 2.92Å; N157-V160 PolarHBondContact O-N 3.09Å; V160-L163 PolarHBondContact O-N 3.01Å; V160-S164 WeakPolarHBondContact O-CB 3.44Å; V160-S164 PolarHBondContact O-N 3.35Å |
| 161 | E | 81.2 | Confident | 83.1 | Confident | 106 Ų | 106 | 98.3 Ų | 98.3 | 50% | 0.495 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 173.1 | -73.4 | 169.4 | 164.2 | 0 | 0 | 111.3 | N157 S164 C165 | N157-E161 PolarHBondContact ND2-OE1 2.84Å; N157-E161 PolarHBondContact ND2-OE2 2.6Å; N157-E161 WeakPolarHBondContact O-CB 3.35Å; N157-E161 WeakPolarHBondContact O-CG 3.46Å; N157-E161 PolarHBondContact O-N 2.97Å; E161-S164 WeakPolarHBondContact O-CB 3.31Å; E161-S164 PolarHBondContact O-N 3.44Å; E161-C165 PolarHBondContact O-N 3.46Å; E161-C165 PolarHBondContact O-SG 3.48Å; E161-C165 VanDerWaalsContact O-SG 3.42Å |
| 162 | K | 86.8 | Confident | 83.5 | Confident | 109 Ų | 109 | 96.2 Ų | 96.2 | 47% | 0.474 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -50.5 | 175.3 | 179.6 | -172.7 | 172 | -164.6 | 0 | 111.7 | W158 E159 S164 C165 D166 | W158-K162 HydrophobicContact CZ3-CD 4.32Å; W158-K162 WeakPolarHBondContact O-CA 3.47Å; W158-K162 WeakPolarHBondContact O-CB 3.46Å; W158-K162 PolarHBondContact O-N 2.84Å; E159-K162 PolarHBondContact O-N 2.82Å; K162-S164 PolarHBondContact O-N 3.11Å; K162-C165 CarbonylContact O-C 3.57Å; K162-C165 WeakPolarHBondContact O-CA 3.42Å; K162-C165 WeakPolarHBondContact O-CB 3.37Å; K162-C165 PolarHBondContact O-N 3.19Å; K162-D166 VanDerWaalsContact CE-OD2 3.25Å; K162-D166 WeakPolarHBondContact CE-OD2 3.22Å; K162-D166 WeakPolarHBondContact O-CB 3.42Å; K162-D166 VanDerWaalsContact O-CG 3.3Å; K162-D166 PolarHBondContact O-N 3.38Å |
| 163 | L | 88 | Confident | 84.1 | Confident | 120 Ų | 120 | 95.5 Ų | 95.5 | 63% | 0.628 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -33.1 | 179.3 | -72.4 | 169.2 | 0 | 0 | 0 | 111.9 | E159 V160 L167 | E159-L163 WeakPolarHBondContact O-CB 3.31Å; E159-L163 VanDerWaalsContact O-CG 3.29Å; E159-L163 WeakPolarHBondContact O-CG 3.47Å; E159-L163 PolarHBondContact O-N 2.85Å; V160-L163 PolarHBondContact O-N 3.01Å; L163-L167 VanDerWaalsContact O-CB 3.28Å; L163-L167 WeakPolarHBondContact O-CB 3.33Å; L163-L167 PolarHBondContact O-N 3.12Å |
| 164 | S | 88.4 | Confident | 85.2 | Confident | 79 Ų | 79 | 96.7 Ų | 96.7 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.3 | -42.3 | 171.4 | -171.7 | 0 | 0 | 0 | 0 | 112.3 | V160 E161 K162 K168 | V160-S164 WeakPolarHBondContact O-CB 3.44Å; V160-S164 PolarHBondContact O-N 3.35Å; E161-S164 WeakPolarHBondContact O-CB 3.31Å; E161-S164 PolarHBondContact O-N 3.44Å; K162-S164 PolarHBondContact O-N 3.11Å; S164-K168 VanDerWaalsContact O-CB 3.32Å; S164-K168 WeakPolarHBondContact O-CB 3.24Å; S164-K168 PolarHBondContact O-N 2.91Å |
| 165 | C | 89.9 | Confident | 86.6 | Confident | 74 Ų | 74 | 98.8 Ų | 98.8 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -47.7 | 173.2 | -75.2 | 0 | 0 | 0 | 0 | 112.6 | E161 K162 L167 K168 I169 | E161-C165 PolarHBondContact O-N 3.46Å; E161-C165 PolarHBondContact O-SG 3.48Å; E161-C165 VanDerWaalsContact O-SG 3.42Å; K162-C165 CarbonylContact O-C 3.57Å; K162-C165 WeakPolarHBondContact O-CA 3.42Å; K162-C165 WeakPolarHBondContact O-CB 3.37Å; K162-C165 PolarHBondContact O-N 3.19Å; C165-L167 VanDerWaalsContact C-N 3.35Å; C165-L167 PolarHBondContact O-N 3.49Å; C165-K168 CarbonylContact O-C 3.55Å; C165-K168 PolarHBondContact O-N 3.04Å; C165-K168 VanDerWaalsContact O-N 3.11Å; C165-I169 VanDerWaalsContact O-CG1 3.3Å; C165-I169 WeakPolarHBondContact O-CG1 3.3Å; C165-I169 PolarHBondContact O-N 2.93Å |
| 166 | D | 94.7 | Very high | 88.2 | Confident | 71 Ų | 71 | 98.4 Ų | 98.4 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 179.8 | -68.1 | -16.2 | 0 | 0 | 0 | 110.6 | K162 K168 I169 H170 | K162-D166 VanDerWaalsContact CE-OD2 3.25Å; K162-D166 WeakPolarHBondContact CE-OD2 3.22Å; K162-D166 WeakPolarHBondContact O-CB 3.42Å; K162-D166 VanDerWaalsContact O-CG 3.3Å; K162-D166 PolarHBondContact O-N 3.38Å; D166-K168 VanDerWaalsContact C-N 3.35Å; D166-K168 PolarHBondContact O-N 3.02Å; D166-I169 PolarHBondContact O-N 2.87Å; D166-H170 PolarHBondContact O-N 3.33Å |
| 167 | L | 95.4 | Very high | 89.6 | Confident | 132 Ų | 132 | 102 Ų | 102 | 69% | 0.691 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 174.2 | -178.2 | 63.8 | 0 | 0 | 0 | 112.3 | L163 C165 G171 | L163-L167 VanDerWaalsContact O-CB 3.28Å; L163-L167 WeakPolarHBondContact O-CB 3.33Å; L163-L167 PolarHBondContact O-N 3.12Å; C165-L167 VanDerWaalsContact C-N 3.35Å; C165-L167 PolarHBondContact O-N 3.49Å; L167-G171 PolarHBondContact O-N 3.26Å; L167-G171 VanDerWaalsContact O-N 3.08Å |
| 168 | K | 96.4 | Very high | 91.1 | Very high | 148 Ų | 148 | 101.5 Ų | 101.5 | 64% | 0.643 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.9 | -33.6 | 178.6 | -171.4 | 169.1 | -176.3 | 173.8 | 0 | 112.7 | S164 C165 D166 G171 L172 | S164-K168 VanDerWaalsContact O-CB 3.32Å; S164-K168 WeakPolarHBondContact O-CB 3.24Å; S164-K168 PolarHBondContact O-N 2.91Å; C165-K168 CarbonylContact O-C 3.55Å; C165-K168 PolarHBondContact O-N 3.04Å; C165-K168 VanDerWaalsContact O-N 3.11Å; D166-K168 VanDerWaalsContact C-N 3.35Å; D166-K168 PolarHBondContact O-N 3.02Å; K168-G171 PolarHBondContact O-N 2.97Å; K168-L172 HydrophobicContact CG-CD1 4.46Å; K168-L172 WeakPolarHBondContact O-CG 3.31Å; K168-L172 PolarHBondContact O-N 3.47Å; K168-L172 VanDerWaalsContact O-N 3.11Å |
| 169 | I | 96.1 | Very high | 92.1 | Very high | 87 Ų | 87 | 98.4 Ų | 98.4 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -52.2 | 172 | -71.5 | 162.7 | 0 | 0 | 0 | 109.2 | C165 D166 G171 L172 E173 | C165-I169 VanDerWaalsContact O-CG1 3.3Å; C165-I169 WeakPolarHBondContact O-CG1 3.3Å; C165-I169 PolarHBondContact O-N 2.93Å; D166-I169 PolarHBondContact O-N 2.87Å; I169-G171 VanDerWaalsContact C-N 3.26Å; I169-G171 PolarHBondContact O-N 3.07Å; I169-L172 CarbonylContact O-C 3.36Å; I169-L172 PolarHBondContact O-N 3.12Å; I169-E173 HydrophobicContact CG2-CG 4.2Å; I169-E173 WeakPolarHBondContact O-CG 3.42Å; I169-E173 PolarHBondContact O-N 2.92Å |
| 170 | H | 96.1 | Very high | 92.9 | Very high | 117 Ų | 117 | 100.9 Ų | 100.9 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58 | -37.5 | 178.3 | -174.7 | -68.8 | 0 | 0 | 0 | 112.7 | D166 E173 Q174 | D166-H170 PolarHBondContact O-N 3.33Å; H170-E173 PolarHBondContact O-N 3.34Å; H170-Q174 WeakPolarHBondContact O-CB 3.5Å; H170-Q174 PolarHBondContact O-N 3.5Å |
| 171 | G | 95.7 | Very high | 93.6 | Very high | 35 Ų | 35 | 103.5 Ų | 103.5 | 36% | 0.361 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L167 K168 I169 Q174 E175 | L167-G171 PolarHBondContact O-N 3.26Å; L167-G171 VanDerWaalsContact O-N 3.08Å; K168-G171 PolarHBondContact O-N 2.97Å; I169-G171 VanDerWaalsContact C-N 3.26Å; I169-G171 PolarHBondContact O-N 3.07Å; G171-Q174 PolarHBondContact O-N 2.92Å; G171-E175 PolarHBondContact O-N 3.43Å |
| 172 | L | 95.7 | Very high | 94.2 | Very high | 89 Ų | 89 | 103.9 Ų | 103.9 | 47% | 0.466 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.6 | -33 | 177 | -69.9 | 168.8 | 0 | 0 | 0 | 112.6 | K168 I169 E175 L176 | K168-L172 HydrophobicContact CG-CD1 4.46Å; K168-L172 WeakPolarHBondContact O-CG 3.31Å; K168-L172 PolarHBondContact O-N 3.47Å; K168-L172 VanDerWaalsContact O-N 3.11Å; I169-L172 CarbonylContact O-C 3.36Å; I169-L172 PolarHBondContact O-N 3.12Å; L172-E175 PolarHBondContact O-N 3.25Å; L172-L176 VanDerWaalsContact O-CB 3.26Å; L172-L176 WeakPolarHBondContact O-CB 3.24Å; L172-L176 WeakPolarHBondContact O-CD1 3.36Å; L172-L176 VanDerWaalsContact O-CG 3.27Å; L172-L176 WeakPolarHBondContact O-CG 3.45Å; L172-L176 PolarHBondContact O-N 3.05Å |
| 173 | E | 95.4 | Very high | 94.4 | Very high | 115 Ų | 115 | 102.3 Ų | 102.3 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 173.3 | -72.2 | 176.9 | 147.1 | 0 | 0 | 111.5 | I169 H170 L176 E177 | I169-E173 HydrophobicContact CG2-CG 4.2Å; I169-E173 WeakPolarHBondContact O-CG 3.42Å; I169-E173 PolarHBondContact O-N 2.92Å; H170-E173 PolarHBondContact O-N 3.34Å; E173-L176 PolarHBondContact O-N 3.39Å; E173-E177 PolarHBondContact O-N 3.38Å |
| 174 | Q | 96.3 | Very high | 94.6 | Very high | 122 Ų | 122 | 99.5 Ų | 99.5 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.4 | -41.4 | 174.7 | -172.4 | 173.5 | 21.3 | 0 | 0 | 112.4 | H170 G171 E177 L178 | H170-Q174 WeakPolarHBondContact O-CB 3.5Å; H170-Q174 PolarHBondContact O-N 3.5Å; G171-Q174 PolarHBondContact O-N 2.92Å; Q174-E177 PolarHBondContact O-N 3.41Å; Q174-L178 PolarHBondContact O-N 3.27Å |
| 175 | E | 95.6 | Very high | 94.9 | Very high | 123 Ų | 123 | 99.5 Ų | 99.5 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.9 | -40.7 | 173.8 | -173.2 | 174.6 | -159.7 | 0 | 0 | 111.7 | G171 L172 L178 M179 | G171-E175 PolarHBondContact O-N 3.43Å; L172-E175 PolarHBondContact O-N 3.25Å; E175-L178 PolarHBondContact O-N 2.89Å; E175-M179 WeakPolarHBondContact O-CB 3.24Å; E175-M179 PolarHBondContact O-N 3.47Å |
| 176 | L | 95.6 | Very high | 95 | Very high | 82 Ų | 82 | 101.2 Ų | 101.2 | 43% | 0.429 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 173.8 | -84.4 | 165 | 0 | 0 | 0 | 112.6 | L172 E173 M179 R180 | L172-L176 VanDerWaalsContact O-CB 3.26Å; L172-L176 WeakPolarHBondContact O-CB 3.24Å; L172-L176 WeakPolarHBondContact O-CD1 3.36Å; L172-L176 VanDerWaalsContact O-CG 3.27Å; L172-L176 WeakPolarHBondContact O-CG 3.45Å; L172-L176 PolarHBondContact O-N 3.05Å; E173-L176 PolarHBondContact O-N 3.39Å; L176-M179 HydrophobicContact CD2-CE 3.82Å; L176-R180 WeakPolarHBondContact O-CB 3.33Å; L176-R180 PolarHBondContact O-N 3.08Å |
| 177 | E | 96.3 | Very high | 94.8 | Very high | 100 Ų | 100 | 104.6 Ų | 104.6 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.3 | -37.2 | 177.9 | -169.8 | 58.8 | -153.4 | 0 | 0 | 111.9 | E173 Q174 R180 K181 | E173-E177 PolarHBondContact O-N 3.38Å; Q174-E177 PolarHBondContact O-N 3.41Å; E177-R180 PolarHBondContact O-N 2.92Å; E177-R180 WeakPolarHBondContact OE2-CD 3.24Å; E177-R180 IonicContact OE2-CZ 3.78Å; E177-R180 IonicContact OE2-NE 2.62Å; E177-R180 IonicContact OE2-NH1 3.14Å; E177-R180 PolarHBondContact OE2-NH1 3.47Å; E177-K181 WeakPolarHBondContact O-CB 3.12Å; E177-K181 PolarHBondContact O-N 3Å |
| 178 | L | 96.3 | Very high | 94.6 | Very high | 100 Ų | 100 | 102.4 Ų | 102.4 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.2 | -54.6 | 169.9 | -91.3 | 162.7 | 0 | 0 | 0 | 111.5 | Q174 E175 R180 K181 E182 | Q174-L178 PolarHBondContact O-N 3.27Å; E175-L178 PolarHBondContact O-N 2.89Å; L178-R180 VanDerWaalsContact C-N 3.29Å; L178-R180 PolarHBondContact O-N 2.96Å; L178-K181 WeakPolarHBondContact O-CB 3.43Å; L178-K181 PolarHBondContact O-N 2.99Å; L178-K181 VanDerWaalsContact O-N 3.13Å; L178-E182 WeakPolarHBondContact O-CG 3.3Å; L178-E182 PolarHBondContact O-N 3.4Å |
| 179 | M | 94.3 | Very high | 94.1 | Very high | 99 Ų | 99 | 101.1 Ų | 101.1 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -35.8 | 177.8 | 176.8 | 172 | 47.2 | 0 | 0 | 112.3 | E175 L176 E182 C183 | E175-M179 WeakPolarHBondContact O-CB 3.24Å; E175-M179 PolarHBondContact O-N 3.47Å; L176-M179 HydrophobicContact CD2-CE 3.82Å; M179-E182 PolarHBondContact O-N 2.86Å; M179-C183 VanDerWaalsContact O-CB 3.29Å; M179-C183 WeakPolarHBondContact O-CB 3.29Å; M179-C183 PolarHBondContact O-N 3.36Å; M179-C183 PolarHBondContact O-SG 3.17Å; M179-C183 VanDerWaalsContact O-SG 3.34Å |
| 180 | R | 95.6 | Very high | 93.5 | Very high | 140 Ų | 140 | 102.1 Ų | 102.1 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 175.8 | -175.8 | -177.6 | -61.4 | 152.7 | -0.3 | 111.9 | L176 E177 L178 S184 | L176-R180 WeakPolarHBondContact O-CB 3.33Å; L176-R180 PolarHBondContact O-N 3.08Å; E177-R180 PolarHBondContact O-N 2.92Å; E177-R180 WeakPolarHBondContact OE2-CD 3.24Å; E177-R180 IonicContact OE2-CZ 3.78Å; E177-R180 IonicContact OE2-NE 2.62Å; E177-R180 IonicContact OE2-NH1 3.14Å; E177-R180 PolarHBondContact OE2-NH1 3.47Å; L178-R180 VanDerWaalsContact C-N 3.29Å; L178-R180 PolarHBondContact O-N 2.96Å; R180-S184 WeakPolarHBondContact O-CB 3.37Å; R180-S184 PolarHBondContact O-N 3.22Å; R180-S184 VanDerWaalsContact O-N 3.14Å; R180-S184 PolarHBondContact O-OG 3.41Å |
| 181 | K | 95.1 | Very high | 92.8 | Very high | 126 Ų | 126 | 102.2 Ų | 102.2 | 55% | 0.548 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.5 | -50 | 171 | -172.8 | -169 | 170.9 | -166.8 | 0 | 111.2 | E177 L178 C183 S184 D185 | E177-K181 WeakPolarHBondContact O-CB 3.12Å; E177-K181 PolarHBondContact O-N 3Å; L178-K181 WeakPolarHBondContact O-CB 3.43Å; L178-K181 PolarHBondContact O-N 2.99Å; L178-K181 VanDerWaalsContact O-N 3.13Å; K181-C183 VanDerWaalsContact C-N 3.33Å; K181-C183 PolarHBondContact O-N 3.22Å; K181-S184 CarbonylContact O-C 3.55Å; K181-S184 WeakPolarHBondContact O-CA 3.19Å; K181-S184 VanDerWaalsContact O-CB 3.3Å; K181-S184 WeakPolarHBondContact O-CB 3.39Å; K181-S184 PolarHBondContact O-N 3.43Å; K181-D185 WeakPolarHBondContact CE-OD2 3.44Å; K181-D185 PolarHBondContact O-N 2.9Å |
| 182 | E | 94.4 | Very high | 92 | Very high | 114 Ų | 114 | 106.3 Ų | 106.3 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 177.4 | -71.4 | 176.5 | 177.4 | 0 | 0 | 112 | L178 M179 S184 D185 L186 | L178-E182 WeakPolarHBondContact O-CG 3.3Å; L178-E182 PolarHBondContact O-N 3.4Å; M179-E182 PolarHBondContact O-N 2.86Å; E182-S184 PolarHBondContact O-N 3.19Å; E182-D185 PolarHBondContact O-N 3.48Å; E182-L186 VanDerWaalsContact O-CB 3.25Å; E182-L186 WeakPolarHBondContact O-CB 3.41Å; E182-L186 VanDerWaalsContact O-CG 3.27Å; E182-L186 WeakPolarHBondContact O-CG 3.47Å; E182-L186 PolarHBondContact O-N 3.43Å |
| 183 | C | 90.2 | Very high | 90.9 | Very high | 76 Ų | 76 | 104.6 Ų | 104.6 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -30.1 | 171.9 | -77.9 | 0 | 0 | 0 | 0 | 113.3 | M179 K181 K187 | M179-C183 VanDerWaalsContact O-CB 3.29Å; M179-C183 WeakPolarHBondContact O-CB 3.29Å; M179-C183 PolarHBondContact O-N 3.36Å; M179-C183 PolarHBondContact O-SG 3.17Å; M179-C183 VanDerWaalsContact O-SG 3.34Å; K181-C183 VanDerWaalsContact C-N 3.33Å; K181-C183 PolarHBondContact O-N 3.22Å; C183-K187 WeakPolarHBondContact O-CB 3.35Å; C183-K187 PolarHBondContact O-N 2.64Å |
| 184 | S | 93.3 | Very high | 89.5 | Confident | 61 Ų | 61 | 104.9 Ų | 104.9 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -76.3 | -43.7 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | R180 K181 E182 K187 I188 | R180-S184 WeakPolarHBondContact O-CB 3.37Å; R180-S184 PolarHBondContact O-N 3.22Å; R180-S184 VanDerWaalsContact O-N 3.14Å; R180-S184 PolarHBondContact O-OG 3.41Å; K181-S184 CarbonylContact O-C 3.55Å; K181-S184 WeakPolarHBondContact O-CA 3.19Å; K181-S184 VanDerWaalsContact O-CB 3.3Å; K181-S184 WeakPolarHBondContact O-CB 3.39Å; K181-S184 PolarHBondContact O-N 3.43Å; E182-S184 PolarHBondContact O-N 3.19Å; S184-K187 PolarHBondContact O-N 3.1Å; S184-I188 VanDerWaalsContact O-CG1 3.32Å; S184-I188 WeakPolarHBondContact O-CG1 3.45Å; S184-I188 PolarHBondContact O-N 2.96Å |
| 185 | D | 94 | Very high | 87.8 | Confident | 79 Ų | 79 | 106.7 Ų | 106.7 | 42% | 0.422 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 175.7 | -68.5 | -29.5 | 0 | 0 | 0 | 110.4 | K181 E182 K187 I188 E189 | K181-D185 WeakPolarHBondContact CE-OD2 3.44Å; K181-D185 PolarHBondContact O-N 2.9Å; E182-D185 PolarHBondContact O-N 3.48Å; D185-K187 VanDerWaalsContact C-N 3.31Å; D185-K187 PolarHBondContact O-N 3.31Å; D185-I188 WeakPolarHBondContact O-CB 3.5Å; D185-I188 PolarHBondContact O-N 2.94Å; D185-I188 VanDerWaalsContact O-N 3.11Å; D185-E189 PolarHBondContact O-N 2.92Å |
| 186 | L | 92.4 | Very high | 85.7 | Confident | 109 Ų | 109 | 106.5 Ų | 106.5 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.2 | -34.6 | 172.8 | -73.1 | 170.7 | 0 | 0 | 0 | 112.9 | E182 E189 L190 | E182-L186 VanDerWaalsContact O-CB 3.25Å; E182-L186 WeakPolarHBondContact O-CB 3.41Å; E182-L186 VanDerWaalsContact O-CG 3.27Å; E182-L186 WeakPolarHBondContact O-CG 3.47Å; E182-L186 PolarHBondContact O-N 3.43Å; L186-E189 PolarHBondContact O-N 3.45Å; L186-L190 VanDerWaalsContact O-CB 3.31Å; L186-L190 WeakPolarHBondContact O-CB 3.21Å; L186-L190 PolarHBondContact O-N 3.24Å |
| 187 | K | 90.8 | Very high | 83.5 | Confident | 143 Ų | 143 | 108.3 Ų | 108.3 | 62% | 0.622 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.5 | -35.4 | 174.5 | -179.8 | 178.7 | 178.3 | -176.6 | 0 | 111.8 | C183 S184 D185 Q191 | C183-K187 WeakPolarHBondContact O-CB 3.35Å; C183-K187 PolarHBondContact O-N 2.64Å; S184-K187 PolarHBondContact O-N 3.1Å; D185-K187 VanDerWaalsContact C-N 3.31Å; D185-K187 PolarHBondContact O-N 3.31Å; K187-Q191 VanDerWaalsContact O-CB 3.3Å; K187-Q191 WeakPolarHBondContact O-CB 3.34Å; K187-Q191 PolarHBondContact O-N 3.14Å |
| 188 | I | 90.3 | Very high | 81.3 | Confident | 86 Ų | 86 | 108.2 Ų | 108.2 | 44% | 0.441 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 172.5 | -70.6 | 162.4 | 0 | 0 | 0 | 110.1 | S184 D185 Q191 K192 | S184-I188 VanDerWaalsContact O-CG1 3.32Å; S184-I188 WeakPolarHBondContact O-CG1 3.45Å; S184-I188 PolarHBondContact O-N 2.96Å; D185-I188 WeakPolarHBondContact O-CB 3.5Å; D185-I188 PolarHBondContact O-N 2.94Å; D185-I188 VanDerWaalsContact O-N 3.11Å; I188-Q191 PolarHBondContact O-N 3.01Å; I188-K192 VanDerWaalsContact O-CG 3.32Å; I188-K192 WeakPolarHBondContact O-CG 3.38Å; I188-K192 PolarHBondContact O-N 3.34Å; I188-K192 VanDerWaalsContact O-N 3.08Å |
| 189 | E | 87 | Confident | 79 | Confident | 121 Ų | 121 | 113.5 Ų | 113.5 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.1 | -44.2 | 173 | -65.2 | -159.5 | 142.5 | 0 | 0 | 113 | D185 L186 Q191 K192 A193 | D185-E189 PolarHBondContact O-N 2.92Å; L186-E189 PolarHBondContact O-N 3.45Å; E189-Q191 VanDerWaalsContact C-N 3.26Å; E189-Q191 PolarHBondContact O-N 2.65Å; E189-K192 WeakPolarHBondContact O-CB 3.33Å; E189-K192 PolarHBondContact O-N 2.96Å; E189-K192 VanDerWaalsContact O-N 3.15Å; E189-A193 WeakPolarHBondContact O-CB 3.32Å; E189-A193 PolarHBondContact O-N 3.37Å |
| 190 | L | 82.5 | Confident | 76.7 | Confident | 108 Ų | 108 | 118.1 Ų | 118.1 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60 | -36.9 | 174.4 | -170.1 | 78.3 | 0 | 0 | 0 | 111.7 | L186 A193 K194 | L186-L190 VanDerWaalsContact O-CB 3.31Å; L186-L190 WeakPolarHBondContact O-CB 3.21Å; L186-L190 PolarHBondContact O-N 3.24Å; L190-A193 PolarHBondContact O-N 2.92Å; L190-K194 WeakPolarHBondContact O-CB 3.38Å; L190-K194 PolarHBondContact O-N 3.47Å |
| 191 | Q | 82.1 | Confident | 74 | Confident | 118 Ų | 118 | 119.2 Ų | 119.2 | 55% | 0.551 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71 | -35.2 | 176.8 | -173.1 | 169.7 | -9.6 | 0 | 0 | 112.3 | K187 I188 E189 Q195 | K187-Q191 VanDerWaalsContact O-CB 3.3Å; K187-Q191 WeakPolarHBondContact O-CB 3.34Å; K187-Q191 PolarHBondContact O-N 3.14Å; I188-Q191 PolarHBondContact O-N 3.01Å; E189-Q191 VanDerWaalsContact C-N 3.26Å; E189-Q191 PolarHBondContact O-N 2.65Å; Q191-Q195 WeakPolarHBondContact O-CG 3.29Å; Q191-Q195 PolarHBondContact O-N 3.09Å |
| 192 | K | 78.5 | Confident | 71.5 | Confident | 121 Ų | 121 | 120 Ų | 120 | 53% | 0.526 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.8 | -43.7 | 168.2 | -65.8 | 163.5 | -171.5 | 166.1 | 0 | 110.7 | I188 E189 Q195 T196 | I188-K192 VanDerWaalsContact O-CG 3.32Å; I188-K192 WeakPolarHBondContact O-CG 3.38Å; I188-K192 PolarHBondContact O-N 3.34Å; I188-K192 VanDerWaalsContact O-N 3.08Å; E189-K192 WeakPolarHBondContact O-CB 3.33Å; E189-K192 PolarHBondContact O-N 2.96Å; E189-K192 VanDerWaalsContact O-N 3.15Å; K192-Q195 PolarHBondContact O-N 3.37Å; K192-T196 PolarHBondContact O-N 2.96Å; K192-T196 PolarHBondContact O-OG1 3.11Å |
| 193 | A | 72.1 | Confident | 69.3 | Low | 54 Ų | 54 | 121.7 Ų | 121.7 | 45% | 0.446 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.4 | -44 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E189 L190 Q195 T196 D197 | E189-A193 WeakPolarHBondContact O-CB 3.32Å; E189-A193 PolarHBondContact O-N 3.37Å; L190-A193 PolarHBondContact O-N 2.92Å; A193-Q195 PolarHBondContact O-N 2.68Å; A193-T196 WeakPolarHBondContact O-CA 3.44Å; A193-T196 VanDerWaalsContact O-CB 3.29Å; A193-T196 WeakPolarHBondContact O-CB 3.49Å; A193-T196 PolarHBondContact O-N 3.5Å; A193-D197 PolarHBondContact O-N 3.33Å; A193-D197 VanDerWaalsContact O-N 3.12Å |
| 194 | K | 66 | Low | 67.5 | Low | 120 Ų | 120 | 125.4 Ų | 125.4 | 52% | 0.522 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69.2 | -13.4 | 174.8 | -85.6 | -164.2 | 169 | -172.4 | 0 | 114.4 | L190 T196 E201 | L190-K194 WeakPolarHBondContact O-CB 3.38Å; L190-K194 PolarHBondContact O-N 3.47Å; K194-T196 VanDerWaalsContact C-N 3.33Å; K194-E201 IonicContact NZ-OE2 3.69Å; K194-E201 PolarHBondContact NZ-OE2 3.34Å |
| 195 | Q | 60.4 | Low | 65.4 | Low | 160 Ų | 160 | 131.9 Ų | 131.9 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -8.9 | 164.9 | -72.5 | -175.7 | 7.7 | 0 | 0 | 113 | Q191 K192 A193 | Q191-Q195 WeakPolarHBondContact O-CG 3.29Å; Q191-Q195 PolarHBondContact O-N 3.09Å; K192-Q195 PolarHBondContact O-N 3.37Å; A193-Q195 PolarHBondContact O-N 2.68Å |
| 196 | T | 51.7 | Low | 63.1 | Low | 120 Ų | 120 | 133.6 Ų | 133.6 | 74% | 0.736 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -28.9 | -179.2 | -48.1 | 0 | 0 | 0 | 0 | 112.4 | K192 A193 K194 | K192-T196 PolarHBondContact O-N 2.96Å; K192-T196 PolarHBondContact O-OG1 3.11Å; A193-T196 WeakPolarHBondContact O-CA 3.44Å; A193-T196 VanDerWaalsContact O-CB 3.29Å; A193-T196 WeakPolarHBondContact O-CB 3.49Å; A193-T196 PolarHBondContact O-N 3.5Å; K194-T196 VanDerWaalsContact C-N 3.33Å |
| 197 | D | 50 | Low | 61.1 | Low | 120 Ų | 120 | 138.8 Ų | 138.8 | 64% | 0.642 | 68% | 0.683 | S | S | * | * | trans | -141.2 | 113.1 | 175.8 | -163.4 | -6.8 | 0 | 0 | 0 | 112.1 | A193 | A193-D197 PolarHBondContact O-N 3.33Å; A193-D197 VanDerWaalsContact O-N 3.12Å | ||
| 198 | P | 49.6 | Very low | 59.4 | Low | 97 Ų | 97 | 137.5 Ų | 137.5 | 63% | 0.63 | 68% | 0.684 | S | S | * | * | trans | -114.2 | 45.1 | -166.1 | 43 | -36.3 | 0 | 0 | 0 | 115.8 | ||||
| 199 | Y | 48.1 | Very low | 57.7 | Low | 212 Ų | 212 | 140.1 Ų | 140.1 | 83% | 0.831 | 70% | 0.697 | S | S | * | * | trans | -131.8 | 153.2 | 174.5 | -77 | -80.5 | 0 | 0 | 0 | 115.1 | ||||
| 200 | Q | 47.5 | Very low | 56.2 | Low | 195 Ų | 195 | 142.2 Ų | 142.2 | 91% | 0.911 | 71% | 0.707 | S | S | * | * | trans | 70.8 | 89.9 | 170.8 | -168.3 | 174.1 | 98.9 | 0 | 0 | 117.9 | ||||
| 201 | E | 38.2 | Very low | 55 | Low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | trans | -153.6 | 67.1 | 156.3 | -159.6 | 168.9 | -165.2 | 0 | 0 | 112.6 | K194 | K194-E201 IonicContact NZ-OE2 3.69Å; K194-E201 PolarHBondContact NZ-OE2 3.34Å | ||
| 202 | D | 43.3 | Very low | 53.7 | Low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | trans | -148.3 | 90.4 | 167.7 | -171.3 | 23.4 | 0 | 0 | 0 | 113.6 | ||||
| 203 | N | 46.8 | Very low | 52.7 | Low | 149 Ų | 149 | 143.3 Ų | 143.3 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | 179.3 | 120.6 | 145.8 | -112.8 | -87.4 | 0 | 0 | 0 | 110 | ||||
| 204 | L | 53.1 | Low | 52.1 | Low | 154 Ų | 154 | 146 Ų | 146 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | trans | -173.3 | -14.3 | 161.6 | -111.9 | 164.8 | 0 | 0 | 0 | 115.8 | S206 | L204-S206 PolarHBondContact O-N 3.13Š| ||
| 205 | K | 48.3 | Very low | 52.1 | Low | 198 Ų | 198 | 144.1 Ų | 144.1 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 9.1 | -166.8 | -66.5 | 177.4 | 178.2 | 168 | 0 | 117.6 | ||
| 206 | S | 46.9 | Very low | 52.5 | Low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -29.3 | -168.6 | -175.6 | 0 | 0 | 0 | 0 | 114.8 | L204 | L204-S206 PolarHBondContact O-N 3.13Š|
| 207 | R | 49.9 | Very low | 53.6 | Low | 217 Ų | 217 | 139.3 Ų | 139.3 | 82% | 0.819 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -88.3 | -26.8 | -157.4 | -156.4 | 174.1 | -171.9 | -178.8 | 2.8 | 116.2 | ||
| 208 | D | 54.7 | Low | 55 | Low | 117 Ų | 117 | 138.9 Ų | 138.9 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -83.6 | -24 | -162.5 | -62 | -58.4 | 0 | 0 | 0 | 115.2 | Q210 K211 L212 | D208-Q210 PolarHBondContact O-N 3.36Å; D208-K211 PolarHBondContact O-N 2.99Å; D208-K211 VanDerWaalsContact O-N 3.14Å; D208-L212 PolarHBondContact O-N 3.48Å |
| 209 | L | 55.8 | Low | 56.5 | Low | 140 Ų | 140 | 141.3 Ų | 141.3 | 73% | 0.733 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -64.7 | -34.8 | -173.5 | -65.9 | 175.5 | 0 | 0 | 0 | 113.6 | K211 | L209-K211 VanDerWaalsContact C-N 3.34Å; L209-K211 PolarHBondContact O-N 3.13Å |
| 210 | Q | 55.7 | Low | 58.2 | Low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -68.3 | -31.9 | 175.9 | -82.4 | -174.8 | -16.9 | 0 | 0 | 113 | D208 L212 | D208-Q210 PolarHBondContact O-N 3.36Å; Q210-L212 VanDerWaalsContact C-N 3.32Å; Q210-L212 PolarHBondContact O-N 2.99Å |
| 211 | K | 55.9 | Low | 60 | Low | 167 Ų | 167 | 133.6 Ų | 133.6 | 73% | 0.726 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -70.9 | -30.7 | -177.8 | -167.6 | 178.5 | 178.6 | -173.7 | 0 | 111.9 | D208 L209 | D208-K211 PolarHBondContact O-N 2.99Å; D208-K211 VanDerWaalsContact O-N 3.14Å; L209-K211 VanDerWaalsContact C-N 3.34Å; L209-K211 PolarHBondContact O-N 3.13Å |
| 212 | L | 56.5 | Low | 62.4 | Low | 131 Ų | 131 | 128.6 Ų | 128.6 | 69% | 0.686 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.1 | -40.1 | -178.7 | -161.5 | 68.5 | 0 | 0 | 0 | 112.4 | D208 Q210 I214 S215 S216 | D208-L212 PolarHBondContact O-N 3.48Å; Q210-L212 VanDerWaalsContact C-N 3.32Å; Q210-L212 PolarHBondContact O-N 2.99Å; L212-I214 PolarHBondContact O-N 2.89Å; L212-S215 WeakPolarHBondContact O-CB 3.42Å; L212-S215 PolarHBondContact O-N 2.96Å; L212-S216 PolarHBondContact O-N 3.28Å |
| 213 | S | 55.8 | Low | 64.7 | Low | 73 Ų | 73 | 128.7 Ų | 128.7 | 51% | 0.51 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -59.2 | -48.3 | -179.1 | -163.3 | 0 | 0 | 0 | 0 | 112.3 | S215 S216 D217 | S213-S215 PolarHBondContact O-N 3.34Å; S213-S216 WeakPolarHBondContact O-CB 3.48Å; S213-S216 PolarHBondContact O-N 2.91Å; S213-D217 PolarHBondContact O-N 3.29Å |
| 214 | I | 60.2 | Low | 67 | Low | 110 Ų | 110 | 129.5 Ų | 129.5 | 56% | 0.564 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -62.9 | -30.2 | -177.8 | -57.4 | 169.8 | 0 | 0 | 0 | 111.3 | L212 S216 N218 | L212-I214 PolarHBondContact O-N 2.89Å; I214-S216 VanDerWaalsContact C-N 3.33Å; I214-N218 PolarHBondContact O-ND2 3.23Å |
| 215 | S | 66.6 | Low | 68.8 | Low | 80 Ų | 80 | 126 Ų | 126 | 56% | 0.559 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71 | -27.5 | 176.8 | -164.5 | 0 | 0 | 0 | 0 | 113.2 | L212 S213 | L212-S215 WeakPolarHBondContact O-CB 3.42Å; L212-S215 PolarHBondContact O-N 2.96Å; S213-S215 PolarHBondContact O-N 3.34Å |
| 216 | S | 68.9 | Low | 71 | Confident | 75 Ų | 75 | 121.7 Ų | 121.7 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.8 | -49.3 | -179.6 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | L212 S213 I214 N218 M219 Q220 | L212-S216 PolarHBondContact O-N 3.28Å; S213-S216 WeakPolarHBondContact O-CB 3.48Å; S213-S216 PolarHBondContact O-N 2.91Å; I214-S216 VanDerWaalsContact C-N 3.33Å; S216-N218 VanDerWaalsContact C-N 3.35Å; S216-N218 PolarHBondContact O-N 2.61Å; S216-M219 PolarHBondContact O-N 2.85Å; S216-M219 VanDerWaalsContact O-N 3.17Å; S216-Q220 PolarHBondContact O-N 3.12Å |
| 217 | D | 73.9 | Confident | 73.3 | Confident | 105 Ų | 105 | 121.6 Ų | 121.6 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.4 | -39.6 | -175.7 | -63 | -33.9 | 0 | 0 | 0 | 112.1 | S213 M219 Q220 H221 | S213-D217 PolarHBondContact O-N 3.29Å; D217-M219 VanDerWaalsContact C-N 3.34Å; D217-M219 PolarHBondContact O-N 3.3Å; D217-Q220 PolarHBondContact O-N 3.08Å; D217-H221 WeakPolarHBondContact O-CB 3.31Å; D217-H221 PolarHBondContact O-N 2.84Å |
| 218 | N | 78.8 | Confident | 75.4 | Confident | 110 Ų | 110 | 116.9 Ų | 116.9 | 59% | 0.588 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.4 | -40.3 | 175.1 | -73.4 | -25.8 | 0 | 0 | 0 | 112.4 | I214 S216 H221 A222 | I214-N218 PolarHBondContact O-ND2 3.23Å; S216-N218 VanDerWaalsContact C-N 3.35Å; S216-N218 PolarHBondContact O-N 2.61Å; N218-H221 PolarHBondContact O-N 3.31Å; N218-A222 PolarHBondContact O-N 2.81Å; N218-A222 VanDerWaalsContact O-N 3.09Å |
| 219 | M | 81.5 | Confident | 77.4 | Confident | 149 Ų | 149 | 116.4 Ų | 116.4 | 73% | 0.734 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.3 | -40.1 | 177.8 | -168.1 | 174 | -171.8 | 0 | 0 | 111.4 | S216 D217 H221 A222 Y223 | S216-M219 PolarHBondContact O-N 2.85Å; S216-M219 VanDerWaalsContact O-N 3.17Å; D217-M219 VanDerWaalsContact C-N 3.34Å; D217-M219 PolarHBondContact O-N 3.3Å; M219-H221 VanDerWaalsContact C-N 3.32Å; M219-H221 PolarHBondContact O-N 2.83Å; M219-A222 PolarHBondContact O-N 3.05Å; M219-Y223 PolarHBondContact O-N 3.08Å; M219-Y223 VanDerWaalsContact O-N 3.1Å |
| 220 | Q | 83.3 | Confident | 79.2 | Confident | 122 Ų | 122 | 115.1 Ų | 115.1 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.1 | -35.7 | 176.5 | -161.4 | 71.3 | -9.2 | 0 | 0 | 112.1 | S216 D217 W224 | S216-Q220 PolarHBondContact O-N 3.12Å; D217-Q220 PolarHBondContact O-N 3.08Å; Q220-W224 PolarHBondContact O-N 3.19Å |
| 221 | H | 86.6 | Confident | 80.9 | Confident | 122 Ų | 122 | 110.7 Ų | 110.7 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.3 | -46 | 175.1 | -164 | 71.4 | 0 | 0 | 0 | 112 | D217 N218 M219 Y223 W224 E225 | D217-H221 WeakPolarHBondContact O-CB 3.31Å; D217-H221 PolarHBondContact O-N 2.84Å; N218-H221 PolarHBondContact O-N 3.31Å; M219-H221 VanDerWaalsContact C-N 3.32Å; M219-H221 PolarHBondContact O-N 2.83Å; H221-Y223 VanDerWaalsContact C-N 3.31Å; H221-Y223 PolarHBondContact O-N 3.06Å; H221-W224 WeakPolarHBondContact O-CB 3.46Å; H221-W224 PolarHBondContact O-N 3.07Å; H221-E225 WeakPolarHBondContact O-CG 3.27Å; H221-E225 PolarHBondContact O-N 3.08Å |
| 222 | A | 87.3 | Confident | 82.8 | Confident | 59 Ų | 59 | 106 Ų | 106 | 49% | 0.488 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N218 M219 W224 E225 L226 | N218-A222 PolarHBondContact O-N 2.81Å; N218-A222 VanDerWaalsContact O-N 3.09Å; M219-A222 PolarHBondContact O-N 3.05Å; A222-W224 VanDerWaalsContact C-N 3.35Å; A222-E225 PolarHBondContact O-N 3.17Å; A222-L226 WeakPolarHBondContact O-CB 3.28Å; A222-L226 PolarHBondContact O-N 2.91Å |
| 223 | Y | 93.1 | Very high | 84.6 | Confident | 145 Ų | 145 | 104.3 Ų | 104.3 | 57% | 0.569 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.8 | -39.7 | 173 | 178.1 | -96.7 | 0 | 0 | 0 | 112.5 | M219 H221 K227 | M219-Y223 PolarHBondContact O-N 3.08Å; M219-Y223 VanDerWaalsContact O-N 3.1Å; H221-Y223 VanDerWaalsContact C-N 3.31Å; H221-Y223 PolarHBondContact O-N 3.06Å; Y223-K227 WeakPolarHBondContact O-CB 3.36Å; Y223-K227 PolarHBondContact O-N 2.91Å |
| 224 | W | 93.9 | Very high | 86.5 | Confident | 165 Ų | 165 | 107.2 Ų | 107.2 | 63% | 0.625 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67 | -41.6 | 176.3 | -111.5 | 110.4 | 0 | 0 | 0 | 112.8 | Q220 H221 A222 K227 R228 | Q220-W224 PolarHBondContact O-N 3.19Å; H221-W224 WeakPolarHBondContact O-CB 3.46Å; H221-W224 PolarHBondContact O-N 3.07Å; A222-W224 VanDerWaalsContact C-N 3.35Å; W224-K227 PolarHBondContact O-N 3.3Å; W224-R228 PolarHBondContact O-N 3.27Å |
| 225 | E | 92.1 | Very high | 88.1 | Confident | 80 Ų | 80 | 106.9 Ų | 106.9 | 37% | 0.374 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.4 | -65.6 | -113.6 | 106.5 | 0 | 0 | 111.2 | H221 A222 K227 R228 E229 | H221-E225 WeakPolarHBondContact O-CG 3.27Å; H221-E225 PolarHBondContact O-N 3.08Å; A222-E225 PolarHBondContact O-N 3.17Å; E225-K227 PolarHBondContact O-N 3.08Å; E225-R228 VanDerWaalsContact CD-NH2 3.31Å; E225-R228 WeakPolarHBondContact O-CB 3.32Å; E225-R228 PolarHBondContact O-N 3.16Å; E225-R228 IonicContact OE1-CZ 2.71Å; E225-R228 IonicContact OE1-NH1 3.75Å; E225-R228 PolarHBondContact OE1-NH1 2.89Å; E225-R228 IonicContact OE1-NH2 2.58Å; E225-R228 PolarHBondContact OE1-NH2 2.89Å; E225-R228 IonicContact OE2-NH2 2.6Å; E225-E229 PolarHBondContact O-N 3.28Å |
| 226 | L | 94.3 | Very high | 89.4 | Confident | 109 Ų | 109 | 106.6 Ų | 106.6 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 176.6 | 179.3 | 61.6 | 0 | 0 | 0 | 112.1 | A222 R228 E229 M230 | A222-L226 WeakPolarHBondContact O-CB 3.28Å; A222-L226 PolarHBondContact O-N 2.91Å; L226-R228 PolarHBondContact O-N 3.43Å; L226-E229 PolarHBondContact O-N 3.32Å; L226-M230 HydrophobicContact CD1-CG 4.23Å; L226-M230 WeakPolarHBondContact O-CB 3.14Å; L226-M230 WeakPolarHBondContact O-CG 3.46Å; L226-M230 PolarHBondContact O-N 2.86Å |
| 227 | K | 94.6 | Very high | 90.6 | Very high | 113 Ų | 113 | 106.6 Ų | 106.6 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 177.6 | -173.9 | 176.4 | -179.6 | 179 | 0 | 112.3 | Y223 W224 E225 S231 | Y223-K227 WeakPolarHBondContact O-CB 3.36Å; Y223-K227 PolarHBondContact O-N 2.91Å; W224-K227 PolarHBondContact O-N 3.3Å; E225-K227 PolarHBondContact O-N 3.08Å; K227-S231 PolarHBondContact O-N 2.76Å; K227-S231 PolarHBondContact O-OG 3.3Å |
| 228 | R | 94.7 | Very high | 91.5 | Very high | 118 Ų | 118 | 106.6 Ų | 106.6 | 45% | 0.445 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 172 | -177 | -172.6 | 68.4 | -136 | -3.7 | 110.6 | W224 E225 L226 S231 N232 | W224-R228 PolarHBondContact O-N 3.27Å; E225-R228 VanDerWaalsContact CD-NH2 3.31Å; E225-R228 WeakPolarHBondContact O-CB 3.32Å; E225-R228 PolarHBondContact O-N 3.16Å; E225-R228 IonicContact OE1-CZ 2.71Å; E225-R228 IonicContact OE1-NH1 3.75Å; E225-R228 PolarHBondContact OE1-NH1 2.89Å; E225-R228 IonicContact OE1-NH2 2.58Å; E225-R228 PolarHBondContact OE1-NH2 2.89Å; E225-R228 IonicContact OE2-NH2 2.6Å; L226-R228 PolarHBondContact O-N 3.43Å; R228-S231 WeakPolarHBondContact O-CA 3.34Å; R228-S231 VanDerWaalsContact O-CB 3.32Å; R228-S231 WeakPolarHBondContact O-CB 3.34Å; R228-S231 PolarHBondContact O-N 3.46Å; R228-S231 VanDerWaalsContact O-N 3.09Å; R228-N232 PolarHBondContact O-N 2.83Å |
| 229 | E | 94.9 | Very high | 92.3 | Very high | 106 Ų | 106 | 105.7 Ų | 105.7 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.5 | -35.7 | -174.3 | -158.8 | 55.6 | -151.7 | 0 | 0 | 113.4 | E225 L226 S231 N232 L233 | E225-E229 PolarHBondContact O-N 3.28Å; L226-E229 PolarHBondContact O-N 3.32Å; E229-S231 PolarHBondContact O-N 3.42Å; E229-N232 WeakPolarHBondContact O-CB 3.36Å; E229-N232 PolarHBondContact O-N 3.17Å; E229-N232 PolarHBondContact OE2-ND2 2.88Å; E229-L233 WeakPolarHBondContact O-CB 3.46Å; E229-L233 PolarHBondContact O-N 2.83Å |
| 230 | M | 93.5 | Very high | 92.8 | Very high | 113 Ų | 113 | 103.9 Ų | 103.9 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.5 | -33.1 | 169.1 | -73.2 | -62.1 | -62.5 | 0 | 0 | 112.5 | L226 H234 | L226-M230 HydrophobicContact CD1-CG 4.23Å; L226-M230 WeakPolarHBondContact O-CB 3.14Å; L226-M230 WeakPolarHBondContact O-CG 3.46Å; L226-M230 PolarHBondContact O-N 2.86Å; M230-H234 WeakPolarHBondContact O-CB 3.21Å; M230-H234 PolarHBondContact O-N 3.13Å; M230-H234 VanDerWaalsContact O-N 3.11Å |
| 231 | S | 93.3 | Very high | 93.1 | Very high | 72 Ų | 72 | 100.2 Ų | 100.2 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.9 | -41.4 | 175.8 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | K227 R228 E229 H234 L235 | K227-S231 PolarHBondContact O-N 2.76Å; K227-S231 PolarHBondContact O-OG 3.3Å; R228-S231 WeakPolarHBondContact O-CA 3.34Å; R228-S231 VanDerWaalsContact O-CB 3.32Å; R228-S231 WeakPolarHBondContact O-CB 3.34Å; R228-S231 PolarHBondContact O-N 3.46Å; R228-S231 VanDerWaalsContact O-N 3.09Å; E229-S231 PolarHBondContact O-N 3.42Å; S231-H234 PolarHBondContact O-N 3.2Å; S231-L235 PolarHBondContact O-N 3Å; S231-L235 VanDerWaalsContact O-N 3.15Å |
| 232 | N | 93.9 | Very high | 93.3 | Very high | 69 Ų | 69 | 97.6 Ų | 97.6 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.1 | -48.8 | 173 | -68.4 | -20.7 | 0 | 0 | 0 | 111.1 | R228 E229 H234 L235 V236 | R228-N232 PolarHBondContact O-N 2.83Å; E229-N232 WeakPolarHBondContact O-CB 3.36Å; E229-N232 PolarHBondContact O-N 3.17Å; E229-N232 PolarHBondContact OE2-ND2 2.88Å; N232-H234 PolarHBondContact O-N 2.73Å; N232-L235 PolarHBondContact O-N 2.93Å; N232-V236 WeakPolarHBondContact O-CG2 3.44Å; N232-V236 PolarHBondContact O-N 2.63Å |
| 233 | L | 95.8 | Very high | 93.5 | Very high | 95 Ų | 95 | 99.7 Ų | 99.7 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 178.8 | -179.6 | 60.5 | 0 | 0 | 0 | 111.4 | E229 L235 V236 T237 | E229-L233 WeakPolarHBondContact O-CB 3.46Å; E229-L233 PolarHBondContact O-N 2.83Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.24Å; L233-V236 PolarHBondContact O-N 3.15Å; L233-T237 PolarHBondContact O-N 3Å; L233-T237 PolarHBondContact O-OG1 2.77Å; L233-T237 VanDerWaalsContact O-OG1 3.08Å |
| 234 | H | 94.4 | Very high | 93.3 | Very high | 135 Ų | 135 | 98.4 Ų | 98.4 | 63% | 0.625 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.2 | -43.4 | 177.8 | -169 | 84.7 | 0 | 0 | 0 | 112.3 | M230 S231 N232 T237 Q238 | M230-H234 WeakPolarHBondContact O-CB 3.21Å; M230-H234 PolarHBondContact O-N 3.13Å; M230-H234 VanDerWaalsContact O-N 3.11Å; S231-H234 PolarHBondContact O-N 3.2Å; N232-H234 PolarHBondContact O-N 2.73Å; H234-T237 PolarHBondContact O-N 2.69Å; H234-Q238 WeakPolarHBondContact O-CB 3.49Å; H234-Q238 PolarHBondContact O-N 3.42Å |
| 235 | L | 95.5 | Very high | 93 | Very high | 102 Ų | 102 | 96.8 Ų | 96.8 | 53% | 0.534 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 176.2 | -179.5 | 62.6 | 0 | 0 | 0 | 112 | S231 N232 L233 Q238 V239 | S231-L235 PolarHBondContact O-N 3Å; S231-L235 VanDerWaalsContact O-N 3.15Å; N232-L235 PolarHBondContact O-N 2.93Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.24Å; L235-Q238 PolarHBondContact O-N 3.48Å; L235-V239 WeakPolarHBondContact O-CG2 3.36Å; L235-V239 PolarHBondContact O-N 3.04Å |
| 236 | V | 93.3 | Very high | 92.6 | Very high | 75 Ų | 75 | 99.5 Ų | 99.5 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | N232 L233 Q238 V239 Q240 | N232-V236 WeakPolarHBondContact O-CG2 3.44Å; N232-V236 PolarHBondContact O-N 2.63Å; L233-V236 PolarHBondContact O-N 3.15Å; V236-Q238 VanDerWaalsContact C-N 3.32Å; V236-Q238 PolarHBondContact O-N 3.5Å; V236-V239 PolarHBondContact O-N 3.44Å; V236-Q240 HydrophobicContact CG1-CG 4.45Å; V236-Q240 WeakPolarHBondContact O-CB 3.39Å; V236-Q240 WeakPolarHBondContact O-CG 3.34Å; V236-Q240 PolarHBondContact O-N 3.12Å |
| 237 | T | 93.3 | Very high | 91.7 | Very high | 74 Ų | 74 | 99 Ų | 99 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 174.9 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | L233 H234 Q240 A241 | L233-T237 PolarHBondContact O-N 3Å; L233-T237 PolarHBondContact O-OG1 2.77Å; L233-T237 VanDerWaalsContact O-OG1 3.08Å; H234-T237 PolarHBondContact O-N 2.69Å; T237-Q240 PolarHBondContact O-N 2.9Å; T237-A241 WeakPolarHBondContact O-CB 3.33Å; T237-A241 PolarHBondContact O-N 3.48Å |
| 238 | Q | 94.1 | Very high | 90.7 | Very high | 106 Ų | 106 | 101.6 Ų | 101.6 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 175.1 | -171.8 | -180 | 7.6 | 0 | 0 | 111.7 | H234 L235 V236 Q240 A241 E242 | H234-Q238 WeakPolarHBondContact O-CB 3.49Å; H234-Q238 PolarHBondContact O-N 3.42Å; L235-Q238 PolarHBondContact O-N 3.48Å; V236-Q238 VanDerWaalsContact C-N 3.32Å; V236-Q238 PolarHBondContact O-N 3.5Å; Q238-Q240 PolarHBondContact O-N 3.37Å; Q238-A241 PolarHBondContact O-N 3.49Å; Q238-E242 WeakPolarHBondContact O-CG 3.45Å; Q238-E242 PolarHBondContact O-N 2.83Å |
| 239 | V | 94.4 | Very high | 89.2 | Confident | 91 Ų | 91 | 99.4 Ų | 99.4 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -38.6 | 177.2 | 172 | 0 | 0 | 0 | 0 | 111.8 | L235 V236 E242 L243 | L235-V239 WeakPolarHBondContact O-CG2 3.36Å; L235-V239 PolarHBondContact O-N 3.04Å; V236-V239 PolarHBondContact O-N 3.44Å; V239-E242 PolarHBondContact O-N 2.88Å; V239-L243 WeakPolarHBondContact O-CB 3.29Å; V239-L243 PolarHBondContact O-N 2.9Å |
| 240 | Q | 91.6 | Very high | 87.4 | Confident | 110 Ų | 110 | 98.1 Ų | 98.1 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 173.4 | -73.4 | 173.8 | -13.5 | 0 | 0 | 111.9 | V236 T237 Q238 L243 L244 | V236-Q240 HydrophobicContact CG1-CG 4.45Å; V236-Q240 WeakPolarHBondContact O-CB 3.39Å; V236-Q240 WeakPolarHBondContact O-CG 3.34Å; V236-Q240 PolarHBondContact O-N 3.12Å; T237-Q240 PolarHBondContact O-N 2.9Å; Q238-Q240 PolarHBondContact O-N 3.37Å; Q240-L243 PolarHBondContact O-N 3.13Å; Q240-L244 WeakPolarHBondContact O-CB 3.29Å; Q240-L244 WeakPolarHBondContact O-CG 3.35Å; Q240-L244 PolarHBondContact O-N 3.2Å |
| 241 | A | 90.4 | Very high | 85.6 | Confident | 46 Ų | 46 | 97.7 Ų | 97.7 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T237 Q238 R245 | T237-A241 WeakPolarHBondContact O-CB 3.33Å; T237-A241 PolarHBondContact O-N 3.48Å; Q238-A241 PolarHBondContact O-N 3.49Å; A241-R245 WeakPolarHBondContact O-CB 3.35Å; A241-R245 PolarHBondContact O-N 3.3Å |
| 242 | E | 91 | Very high | 83.5 | Confident | 66 Ų | 66 | 97.1 Ų | 97.1 | 31% | 0.308 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 170.7 | -75.2 | -58.8 | 134 | 0 | 0 | 111.8 | Q238 V239 R245 K246 | Q238-E242 WeakPolarHBondContact O-CG 3.45Å; Q238-E242 PolarHBondContact O-N 2.83Å; V239-E242 PolarHBondContact O-N 2.88Å; E242-R245 PolarHBondContact O-N 3.45Å; E242-R245 IonicContact OE1-CZ 2.69Å; E242-R245 IonicContact OE1-NH1 2.63Å; E242-R245 PolarHBondContact OE1-NH1 3.37Å; E242-R245 IonicContact OE1-NH2 2.7Å; E242-R245 PolarHBondContact OE1-NH2 3.46Å; E242-R245 IonicContact OE2-CZ 2.76Å; E242-R245 IonicContact OE2-NH1 3.15Å; E242-R245 PolarHBondContact OE2-NH1 3.29Å; E242-R245 IonicContact OE2-NH2 3.59Å; E242-K246 WeakPolarHBondContact O-CG 3.48Å; E242-K246 PolarHBondContact O-N 3.41Å |
| 243 | L | 90.9 | Very high | 81.5 | Confident | 104 Ų | 104 | 100.4 Ų | 100.4 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 178.6 | -179.3 | 62.5 | 0 | 0 | 0 | 111.6 | V239 Q240 R245 K246 L247 | V239-L243 WeakPolarHBondContact O-CB 3.29Å; V239-L243 PolarHBondContact O-N 2.9Å; Q240-L243 PolarHBondContact O-N 3.13Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 2.8Å; L243-K246 PolarHBondContact O-N 2.96Å; L243-L247 HydrophobicContact CD1-CD1 4.48Å; L243-L247 HydrophobicContact CG-CD1 4.2Å; L243-L247 WeakPolarHBondContact O-CG 3.06Å; L243-L247 PolarHBondContact O-N 2.96Å |
| 244 | L | 88.6 | Confident | 79.4 | Confident | 118 Ų | 118 | 105.1 Ų | 105.1 | 62% | 0.618 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.1 | -38.1 | 176 | -72.7 | 170.7 | 0 | 0 | 0 | 111.9 | Q240 K248 | Q240-L244 WeakPolarHBondContact O-CB 3.29Å; Q240-L244 WeakPolarHBondContact O-CG 3.35Å; Q240-L244 PolarHBondContact O-N 3.2Å; L244-K248 WeakPolarHBondContact O-CB 3.35Å; L244-K248 PolarHBondContact O-N 3.47Å |
| 245 | R | 88.5 | Confident | 77.2 | Confident | 130 Ų | 130 | 107.7 Ų | 107.7 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -45.6 | 175 | -154.9 | -171.7 | -46.3 | 114.4 | 7.3 | 111.3 | A241 E242 L243 L247 K248 T249 | A241-R245 WeakPolarHBondContact O-CB 3.35Å; A241-R245 PolarHBondContact O-N 3.3Å; E242-R245 PolarHBondContact O-N 3.45Å; E242-R245 IonicContact OE1-CZ 2.69Å; E242-R245 IonicContact OE1-NH1 2.63Å; E242-R245 PolarHBondContact OE1-NH1 3.37Å; E242-R245 IonicContact OE1-NH2 2.7Å; E242-R245 PolarHBondContact OE1-NH2 3.46Å; E242-R245 IonicContact OE2-CZ 2.76Å; E242-R245 IonicContact OE2-NH1 3.15Å; E242-R245 PolarHBondContact OE2-NH1 3.29Å; E242-R245 IonicContact OE2-NH2 3.59Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 2.8Å; R245-L247 PolarHBondContact O-N 3.24Å; R245-K248 PolarHBondContact O-N 3.25Å; R245-T249 PolarHBondContact O-N 2.9Å; R245-T249 PolarHBondContact O-OG1 2.94Å; R245-T249 VanDerWaalsContact O-OG1 3.12Å |
| 246 | K | 83.4 | Confident | 74.5 | Confident | 137 Ų | 137 | 107.4 Ų | 107.4 | 60% | 0.596 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.9 | -40.5 | 177.5 | -74.3 | 175.5 | -178.4 | 179.1 | 0 | 112.5 | E242 L243 T249 S250 | E242-K246 WeakPolarHBondContact O-CG 3.48Å; E242-K246 PolarHBondContact O-N 3.41Å; L243-K246 PolarHBondContact O-N 2.96Å; K246-T249 WeakPolarHBondContact CA-OG1 3.32Å; K246-T249 PolarHBondContact O-OG1 3.48Å; K246-S250 WeakPolarHBondContact O-CB 3.11Å; K246-S250 PolarHBondContact O-N 3.01Å |
| 247 | L | 75.4 | Confident | 71.6 | Confident | 99 Ų | 99 | 110 Ų | 110 | 52% | 0.518 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63 | -46.8 | 172.3 | -71.4 | 168.9 | 0 | 0 | 0 | 111.2 | L243 R245 T249 S250 T251 | L243-L247 HydrophobicContact CD1-CD1 4.48Å; L243-L247 HydrophobicContact CG-CD1 4.2Å; L243-L247 WeakPolarHBondContact O-CG 3.06Å; L243-L247 PolarHBondContact O-N 2.96Å; R245-L247 PolarHBondContact O-N 3.24Å; L247-T249 PolarHBondContact O-N 3.36Å; L247-S250 WeakPolarHBondContact O-CB 3.14Å; L247-S250 PolarHBondContact O-N 3.33Å; L247-T251 PolarHBondContact O-N 2.86Å; L247-T251 PolarHBondContact O-OG1 2.9Å |
| 248 | K | 72.9 | Confident | 68.8 | Low | 168 Ų | 168 | 110.4 Ų | 110.4 | 73% | 0.73 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.5 | -39.2 | 178.4 | -168 | 171.2 | -176.9 | 176.1 | 0 | 112.6 | L244 R245 A252 | L244-K248 WeakPolarHBondContact O-CB 3.35Å; L244-K248 PolarHBondContact O-N 3.47Å; R245-K248 PolarHBondContact O-N 3.25Å; K248-A252 WeakPolarHBondContact O-CB 3.46Å; K248-A252 PolarHBondContact O-N 3.41Å |
| 249 | T | 64.3 | Low | 66.5 | Low | 72 Ų | 72 | 110.9 Ų | 110.9 | 44% | 0.442 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.1 | -37.5 | 174.1 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | R245 K246 L247 T251 A252 I253 | R245-T249 PolarHBondContact O-N 2.9Å; R245-T249 PolarHBondContact O-OG1 2.94Å; R245-T249 VanDerWaalsContact O-OG1 3.12Å; K246-T249 WeakPolarHBondContact CA-OG1 3.32Å; K246-T249 PolarHBondContact O-OG1 3.48Å; L247-T249 PolarHBondContact O-N 3.36Å; T249-T251 VanDerWaalsContact C-N 3.31Å; T249-T251 PolarHBondContact O-N 3.46Å; T249-A252 PolarHBondContact O-N 2.7Å; T249-A252 VanDerWaalsContact O-N 3.14Å; T249-I253 VanDerWaalsContact O-CG1 3.31Å; T249-I253 WeakPolarHBondContact O-CG1 3.16Å; T249-I253 PolarHBondContact O-N 2.63Å |
| 250 | S | 57.1 | Low | 63.7 | Low | 79 Ų | 79 | 113.2 Ų | 113.2 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -60.8 | -41 | 175.2 | -170.7 | 0 | 0 | 0 | 0 | 111.7 | K246 L247 | K246-S250 WeakPolarHBondContact O-CB 3.11Å; K246-S250 PolarHBondContact O-N 3.01Å; L247-S250 WeakPolarHBondContact O-CB 3.14Å; L247-S250 PolarHBondContact O-N 3.33Å |
| 251 | T | 54.6 | Low | 60.9 | Low | 103 Ų | 103 | 111.6 Ų | 111.6 | 63% | 0.632 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.3 | -36.8 | 172.7 | -57.8 | 0 | 0 | 0 | 0 | 112.7 | L247 T249 K254 | L247-T251 PolarHBondContact O-N 2.86Å; L247-T251 PolarHBondContact O-OG1 2.9Å; T249-T251 VanDerWaalsContact C-N 3.31Å; T249-T251 PolarHBondContact O-N 3.46Å; T251-K254 PolarHBondContact O-N 2.7Å |
| 252 | A | 51 | Low | 58 | Low | 61 Ų | 61 | 116.1 Ų | 116.1 | 50% | 0.504 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -67.7 | -35.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K248 T249 K254 K255 | K248-A252 WeakPolarHBondContact O-CB 3.46Å; K248-A252 PolarHBondContact O-N 3.41Å; T249-A252 PolarHBondContact O-N 2.7Å; T249-A252 VanDerWaalsContact O-N 3.14Å; A252-K254 PolarHBondContact O-N 2.98Å; A252-K254 VanDerWaalsContact O-N 3.14Å; A252-K255 PolarHBondContact O-N 2.94Å |
| 253 | I | 50.2 | Low | 55.4 | Low | 138 Ų | 138 | 117.8 Ų | 117.8 | 71% | 0.708 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -63.1 | -19.6 | 178 | -69.7 | 162.3 | 0 | 0 | 0 | 112.1 | T249 | T249-I253 VanDerWaalsContact O-CG1 3.31Å; T249-I253 WeakPolarHBondContact O-CG1 3.16Å; T249-I253 PolarHBondContact O-N 2.63Å |
| 254 | K | 51.6 | Low | 52.9 | Low | 194 Ų | 194 | 120.8 Ų | 120.8 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 2.8 | 171.4 | -71.5 | -166.5 | 173.7 | -171 | 0 | 115.1 | T251 A252 | T251-K254 PolarHBondContact O-N 2.7Å; A252-K254 PolarHBondContact O-N 2.98Å; A252-K254 VanDerWaalsContact O-N 3.14Å |
| 255 | K | 49.5 | Very low | 50.6 | Low | 189 Ų | 189 | 121.6 Ų | 121.6 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | trans | -119.6 | 68.5 | 175.6 | -75.9 | -159 | 171.1 | -168 | 0 | 112.2 | A252 | A252-K255 PolarHBondContact O-N 2.94Š| ||
| 256 | A | 37.8 | Very low | 48.3 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 79% | 0.793 | 72% | 0.719 | S | S | * | * | trans | -133.2 | 38.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 257 | C | 34 | Very low | 46.2 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 87% | 0.872 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -153.7 | 159.2 | 158.7 | -154.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 258 | A | 34.2 | Very low | 44.9 | Very low | 83 Ų | 83 | 126 Ų | 126 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | trans | -136.9 | -177.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 259 | P | 46 | Very low | 43.1 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | -122 | -171.7 | -58.2 | 32.5 | -16.8 | 0 | 0 | 0 | 111.8 | |||||
| 260 | V | 34.8 | Very low | 41.8 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | 78 | 96.1 | 168.1 | -168.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 261 | G | 31.9 | Very low | 41 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | 66 | 96.8 | 122.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 262 | C | 29.9 | Very low | 40.4 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 95% | 0.953 | 78% | 0.777 | S | S | * | * | -155.5 | 168.2 | 125.1 | -142.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 263 | S | 36.8 | Very low | 39.7 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -92.5 | -179.4 | -173.2 | -120.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 264 | E | 39.1 | Very low | 39 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -21.7 | 131.1 | 171.6 | -74.2 | 80.8 | 171 | 0 | 0 | 115.2 | ||||
| 265 | D | 39.9 | Very low | 38.2 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | -164.1 | 135.2 | 68.7 | 174.8 | 33.3 | 0 | 0 | 0 | 112.6 | |||||
| 266 | L | 39.5 | Very low | 37.4 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | -168.4 | 119.7 | 125.9 | -137.2 | 69 | 0 | 0 | 0 | 111.3 | |||||
| 267 | G | 39.2 | Very low | 37.2 | Very low | 56 Ų | 56 | 137.2 Ų | 137.2 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | trans | -82 | 159.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 268 | R | 49.8 | Very low | 37.4 | Very low | 238 Ų | 238 | 140.5 Ų | 140.5 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | 71.2 | 94.2 | 174.7 | -50.3 | 171.9 | -170.8 | -100.1 | -2.2 | 115.7 | ||||
| 269 | D | 35 | Very low | 37.4 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | -173.9 | 100.1 | 111.6 | -96.9 | -8.6 | 0 | 0 | 0 | 111.2 | |||||
| 270 | S | 36.3 | Very low | 36.9 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -143.2 | 11.3 | -175.8 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 271 | T | 39.6 | Very low | 36.8 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -101.4 | 32.8 | -171.6 | 45.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 272 | K | 41.4 | Very low | 36.8 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | -148.7 | 63.9 | 173 | -146.9 | 171.1 | -170.6 | 176.4 | 0 | 116.5 | ||||
| 273 | L | 37.8 | Very low | 37 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -113.3 | 106.4 | 155.6 | -71.3 | 177.6 | 0 | 0 | 0 | 109.2 | L275 | L273-L275 PolarHBondContact O-N 2.8Š| ||
| 274 | H | 35.3 | Very low | 36.9 | Very low | 164 Ų | 164 | 152.5 Ų | 152.5 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -72.9 | 106.5 | 175.8 | -76.7 | -96.3 | 0 | 0 | 0 | 109.9 | M276 | H274-M276 PolarHBondContact O-N 3.44Å; H274-M276 VanDerWaalsContact O-N 3.09Å | ||
| 275 | L | 34.5 | Very low | 37 | Very low | 148 Ų | 148 | 152.4 Ų | 152.4 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | -71.5 | 98.8 | 170.9 | -176.2 | 65.7 | 0 | 0 | 0 | 109.4 | L273 N277 | L273-L275 PolarHBondContact O-N 2.8Å; L275-N277 PolarHBondContact O-N 2.9Å; L275-N277 VanDerWaalsContact O-N 3.08Å | ||
| 276 | M | 32.1 | Very low | 36.9 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -73.8 | 96.1 | 176 | -165.4 | 94.7 | 79.9 | 0 | 0 | 109.6 | H274 F278 | H274-M276 PolarHBondContact O-N 3.44Å; H274-M276 VanDerWaalsContact O-N 3.09Å; M276-F278 HydrophobicContact CB-CE2 4.42Å; M276-F278 HydrophobicContact CG-CE2 4.05Å; M276-F278 HydrophobicContact CG-CZ 4.38Å; M276-F278 PolarHBondContact O-N 2.54Å | ||
| 277 | N | 33.3 | Very low | 37 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -68.5 | 100.4 | -179.7 | -75.4 | -21.1 | 0 | 0 | 0 | 111.8 | L275 T279 | L275-N277 PolarHBondContact O-N 2.9Å; L275-N277 VanDerWaalsContact O-N 3.08Å; N277-T279 PolarHBondContact O-N 2.99Å | ||
| 278 | F | 38 | Very low | 36.8 | Very low | 197 Ų | 197 | 155.7 Ų | 155.7 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -78.8 | 71.5 | 165.2 | -73.9 | -80.3 | 0 | 0 | 0 | 110.8 | M276 | M276-F278 HydrophobicContact CB-CE2 4.42Å; M276-F278 HydrophobicContact CG-CE2 4.05Å; M276-F278 HydrophobicContact CG-CZ 4.38Å; M276-F278 PolarHBondContact O-N 2.54Å | ||
| 279 | T | 35.9 | Very low | 36.2 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 68% | 0.681 | 79% | 0.793 | S | S | * | * | trans | -84.3 | 120.7 | 174.2 | -49 | 0 | 0 | 0 | 0 | 110 | N277 T281 | N277-T279 PolarHBondContact O-N 2.99Å; T279-T281 PolarHBondContact O-N 3.19Å | ||
| 280 | A | 34.1 | Very low | 36.4 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -68.4 | 116.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y282 | A280-Y282 PolarHBondContact O-N 2.9Š| ||
| 281 | T | 32.3 | Very low | 35.9 | Very low | 131 Ų | 131 | 149.5 Ų | 149.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -78.5 | 100.9 | -179.9 | 50 | 0 | 0 | 0 | 0 | 111.4 | T279 T283 | T279-T281 PolarHBondContact O-N 3.19Å; T281-T283 PolarHBondContact O-N 2.95Å | ||
| 282 | Y | 33.8 | Very low | 35.4 | Very low | 223 Ų | 223 | 146.2 Ų | 146.2 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | trans | -81.7 | 109.4 | 174.8 | -153.2 | -80.5 | 0 | 0 | 0 | 110.9 | A280 R284 | A280-Y282 PolarHBondContact O-N 2.9Å; Y282-R284 PolarHBondContact O-N 3.38Å; Y282-R284 VanDerWaalsContact O-N 3.14Å | ||
| 283 | T | 32.8 | Very low | 35.1 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -76.6 | 98.4 | -179.7 | 49 | 0 | 0 | 0 | 0 | 111.6 | T281 | T281-T283 PolarHBondContact O-N 2.95Š| ||
| 284 | R | 35.8 | Very low | 34.7 | Very low | 231 Ų | 231 | 144.1 Ų | 144.1 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 120.2 | 170.7 | -176.7 | -172.8 | -72.1 | 179.6 | -3.4 | 110.2 | Y282 | Y282-R284 PolarHBondContact O-N 3.38Å; Y282-R284 VanDerWaalsContact O-N 3.14Å |
| 285 | H | 40.9 | Very low | 34.3 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70 | 145.8 | 171.5 | -76.7 | -85.7 | 0 | 0 | 0 | 111.9 | ||
| 286 | P | 37.1 | Very low | 34.2 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 153.6 | 177.3 | -19.9 | 33.6 | 0 | 0 | 0 | 113.9 | ||
| 287 | P | 41.5 | Very low | 34.1 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 154.9 | -177 | 35.7 | -35.6 | 0 | 0 | 0 | 113.8 | ||
| 288 | L | 35.4 | Very low | 33.9 | Very low | 183 Ų | 183 | 142.3 Ų | 142.3 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 127.7 | 162 | -81.3 | 162.9 | 0 | 0 | 0 | 109.9 | ||
| 289 | S | 37.8 | Very low | 33.5 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -147.1 | 132.3 | 171.3 | -178 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 290 | P | 37.9 | Very low | 33.2 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -88.6 | 131.3 | 172.9 | 33.1 | -30.3 | 0 | 0 | 0 | 112.3 | ||||
| 291 | N | 27.5 | Very low | 33.1 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 74.4 | 138.4 | 165.3 | -156.4 | 3.8 | 0 | 0 | 0 | 116.4 | ||||
| 292 | G | 28.9 | Very low | 33.6 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 159.1 | -2.7 | 175 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 293 | K | 34 | Very low | 33.5 | Very low | 199 Ų | 199 | 134.9 Ų | 134.9 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | 60.3 | 100.4 | 166.3 | -55 | 178.1 | -178.4 | 177.9 | 0 | 120.8 | ||||
| 294 | A | 28.9 | Very low | 34.7 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | 70.4 | 149.5 | 128.1 | 0 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 295 | L | 28.1 | Very low | 34.5 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | 75.7 | 101.3 | 159 | -129 | 61.8 | 0 | 0 | 0 | 118 | ||||
| 296 | C | 31.8 | Very low | 34 | Very low | 105 Ų | 105 | 127 Ų | 127 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | 69.7 | 137.9 | 79.7 | -59.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 297 | H | 30.3 | Very low | 33.8 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | cis | -156.8 | 163.3 | 48.5 | -81.6 | -91.5 | 0 | 0 | 0 | 116.8 | ||||
| 298 | T | 29.7 | Very low | 33.2 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -17 | 157.4 | 157.6 | 39.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 299 | A | 28.4 | Very low | 33 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | cis | -156 | -148.3 | 0.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 300 | S | 29.8 | Very low | 32.5 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | cis | -160.7 | -148.5 | 10.6 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 301 | S | 31.3 | Very low | 32 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -155.6 | 178.7 | 179.9 | -134.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 302 | P | 44.1 | Very low | 32.1 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | cis | -145.7 | -163.3 | 40.4 | 42.1 | -18.9 | 0 | 0 | 0 | 117.7 | ||||
| 303 | L | 30.7 | Very low | 32.4 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -121.9 | 176.1 | -176.1 | -109.9 | 85.9 | 0 | 0 | 0 | 114.7 | ||||
| 304 | P | 59 | Low | 33 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -122.7 | -170.8 | -164.5 | 46.1 | -36.5 | 0 | 0 | 0 | 118 | ||||
| 305 | G | 31 | Very low | 32.9 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | trans | 175.4 | 170.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 306 | D | 30.9 | Very low | 33 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | cis | -164 | 151.5 | -15.4 | -149.4 | 15.2 | 0 | 0 | 0 | 116.5 | ||||
| 307 | I | 32.4 | Very low | 32.9 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 64% | 0.641 | 78% | 0.778 | S | S | * | * | trans | 21.7 | 131.3 | 161.7 | -68.8 | 158 | 0 | 0 | 0 | 126.8 | V309 | I307-V309 HydrophobicContact CG2-CG2 4.44Š| ||
| 308 | K | 28.3 | Very low | 32.7 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -179 | 155.4 | 131.8 | -98.1 | 150.6 | -170.9 | 171.5 | 0 | 113.3 | ||||
| 309 | V | 31.5 | Very low | 32.5 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | cis | 94.3 | 126.3 | 4.9 | -179.3 | 0 | 0 | 0 | 0 | 114.8 | I307 | I307-V309 HydrophobicContact CG2-CG2 4.44Š| ||
| 310 | L | 28.5 | Very low | 32.6 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | cis | -158.2 | -172.6 | 12.3 | -160.7 | 45.7 | 0 | 0 | 0 | 114.5 | ||||
| 311 | S | 27.6 | Very low | 32.5 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 87.9 | 123.8 | 166.4 | -145.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 312 | E | 28 | Very low | 32.2 | Very low | 143 Ų | 143 | 144 Ų | 144 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | cis | 74.7 | 138.9 | 31.1 | -63.9 | -141.4 | 116.2 | 0 | 0 | 115.5 | ||||
| 313 | K | 35.5 | Very low | 31.6 | Very low | 168 Ų | 168 | 147.1 Ų | 147.1 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | cis | -176.3 | -160.2 | -20.4 | -127.5 | -169.3 | -157.5 | 141.3 | 0 | 108.1 | ||||
| 314 | P | 47.2 | Very low | 31.7 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | -116.4 | -172.9 | -88.3 | 40.4 | -21.1 | 0 | 0 | 0 | 115.4 | |||||
| 315 | V | 26 | Very low | 30.2 | Very low | 144 Ų | 144 | 150 Ų | 150 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | trans | -167.9 | 161.9 | 139.5 | 138.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 316 | L | 31.7 | Very low | 30.2 | Very low | 155 Ų | 155 | 154 Ų | 154 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -135.2 | 178.3 | -170 | -87.4 | 168.4 | 0 | 0 | 0 | 113.1 | ||||
| 317 | Q | 28.4 | Very low | 30 | Very low | 182 Ų | 182 | 152.3 Ų | 152.3 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | 75.6 | 148.6 | 167.3 | -67.2 | 172.8 | -90.4 | 0 | 0 | 117.1 | ||||
| 318 | S | 27.3 | Very low | 29.9 | Very low | 98 Ų | 98 | 153.2 Ų | 153.2 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | cis | -164.1 | 159.2 | -18.1 | 43.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 319 | W | 25.9 | Very low | 29.8 | Very low | 253 Ų | 253 | 152.1 Ų | 152.1 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | -93.8 | 144.7 | 172.5 | -74.2 | 49.4 | 0 | 0 | 0 | 111.7 | ||||
| 320 | T | 30.4 | Very low | 29.7 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | -165.6 | 143.4 | 144.7 | 16.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 321 | D | 26 | Very low | 29.8 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 42.4 | 122.3 | 145.3 | -49.7 | -17.5 | 0 | 0 | 0 | 122.4 | ||||
| 322 | N | 26.9 | Very low | 29.9 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | -162.7 | 119.6 | 115.6 | -106.4 | -67.1 | 0 | 0 | 0 | 111.5 | |||||
| 323 | E | 30.2 | Very low | 30.1 | Very low | 186 Ų | 186 | 150.6 Ų | 150.6 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -138.3 | 105.3 | 170.6 | -161.3 | -165.4 | -140.9 | 0 | 0 | 110.5 | ||||
| 324 | R | 33 | Very low | 30 | Very low | 243 Ų | 243 | 149.6 Ų | 149.6 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | 174.7 | 164 | 162 | -104.9 | 167.1 | -167.1 | -134.7 | -1.6 | 110.1 | ||||
| 325 | S | 28.5 | Very low | 29.2 | Very low | 109 Ų | 109 | 153.6 Ų | 153.6 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | cis | -154 | 161 | 6.4 | 24.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 326 | I | 30.9 | Very low | 29.5 | Very low | 158 Ų | 158 | 154.7 Ų | 154.7 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -80.3 | 149.9 | 165.4 | -62.1 | 162.8 | 0 | 0 | 0 | 110.1 | ||||
| 327 | S | 27 | Very low | 29.4 | Very low | 112 Ų | 112 | 153.5 Ų | 153.5 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -135.9 | 142.5 | 164 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 328 | N | 29 | Very low | 29.7 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | -95.4 | -179.3 | -179.5 | -87.5 | -4.3 | 0 | 0 | 0 | 113 | ||||
| 329 | D | 26.9 | Very low | 30.1 | Very low | 171 Ų | 171 | 156.3 Ų | 156.3 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | trans | 81.6 | 136.6 | 179.7 | -64.8 | -11.8 | 0 | 0 | 0 | 116 | ||||
| 330 | G | 28.3 | Very low | 30.3 | Very low | 56 Ų | 56 | 147.7 Ų | 147.7 | 58% | 0.577 | 81% | 0.805 | S | S | * | * | cis | 173.3 | 168.3 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 331 | T | 30.9 | Very low | 30.4 | Very low | 151 Ų | 151 | 153.3 Ų | 153.3 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | trans | 66.6 | 153.9 | -180 | 70.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 332 | C | 30.8 | Very low | 30.6 | Very low | 100 Ų | 100 | 154.4 Ų | 154.4 | 68% | 0.676 | 82% | 0.818 | S | S | * | * | cis | -160.4 | -177.3 | -29 | -166.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 333 | F | 31.3 | Very low | 31 | Very low | 190 Ų | 190 | 151.9 Ų | 151.9 | 83% | 0.833 | 81% | 0.813 | S | S | * | * | trans | 68.5 | 114.2 | -172.8 | -50.9 | -79 | 0 | 0 | 0 | 112.6 | ||||
| 334 | Q | 33.3 | Very low | 31.1 | Very low | 146 Ų | 146 | 151.1 Ų | 151.1 | 68% | 0.682 | 81% | 0.814 | S | S | * | * | cis | 69 | 94.8 | 29.2 | -165.6 | -171.8 | -25.3 | 0 | 0 | 115.1 | H336 | Q334-H336 VanDerWaalsContact CD-NE2 3.3Å; Q334-H336 PolarHBondContact NE2-NE2 2.86Å | ||
| 335 | E | 30.6 | Very low | 31.2 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -144 | 163.6 | 131.9 | -147.5 | 161.1 | -143.7 | 0 | 0 | 110.4 | ||||
| 336 | H | 32.5 | Very low | 31.5 | Very low | 166 Ų | 166 | 146 Ų | 146 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -106.8 | 141.5 | -162.8 | -71.6 | -103.1 | 0 | 0 | 0 | 113.6 | Q334 | Q334-H336 VanDerWaalsContact CD-NE2 3.3Å; Q334-H336 PolarHBondContact NE2-NE2 2.86Å | ||
| 337 | S | 29.2 | Very low | 31.9 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -160 | 100.7 | 159.9 | -80 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 338 | S | 35.6 | Very low | 32.1 | Very low | 95 Ų | 95 | 147.2 Ų | 147.2 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | -126.8 | 89.2 | -170.1 | 61.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 339 | Y | 34.8 | Very low | 32.7 | Very low | 244 Ų | 244 | 148 Ų | 148 | 96% | 0.957 | 80% | 0.803 | S | S | * | * | trans | -153.3 | 140.4 | 159 | -64.3 | -71.4 | 0 | 0 | 0 | 107.6 | ||||
| 340 | G | 29.5 | Very low | 33.6 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | -163.5 | 177 | -6.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 341 | R | 34.4 | Very low | 34.6 | Very low | 241 Ų | 241 | 152.8 Ų | 152.8 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -65.5 | 142.2 | 178.6 | -71.8 | -178.4 | 177.3 | 175.8 | -1.2 | 111.9 | ||||
| 342 | N | 29.3 | Very low | 35.6 | Very low | 159 Ų | 159 | 151 Ų | 151 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | -168.2 | 144.3 | 114.5 | -91.4 | -15.2 | 0 | 0 | 0 | 111.1 | |||||
| 343 | S | 35.1 | Very low | 36.1 | Very low | 119 Ų | 119 | 155.5 Ų | 155.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -102.2 | 118.4 | -177.7 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 344 | L | 33 | Very low | 37 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -156.9 | 124.9 | 156.5 | -87.7 | 129.2 | 0 | 0 | 0 | 104.6 | ||||
| 345 | S | 33.8 | Very low | 37.6 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | cis | 66.7 | 66.6 | 25.6 | -166.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 346 | L | 34.6 | Very low | 38.3 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | -161.3 | 165.4 | 114.3 | -150.2 | 65 | 0 | 0 | 0 | 110.6 | |||||
| 347 | E | 40.7 | Very low | 39.2 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -56.9 | 129.9 | 175.2 | -53.5 | 75.7 | -98.3 | 0 | 0 | 113.5 | ||||
| 348 | D | 31.7 | Very low | 39.9 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -155.5 | 133.1 | 132.3 | -155.4 | -9.3 | 0 | 0 | 0 | 111.2 | S350 | D348-S350 WeakPolarHBondContact OD1-CB 3.24Š| ||
| 349 | N | 39.9 | Very low | 40 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -119.5 | 62.5 | 175 | -96 | -61.2 | 0 | 0 | 0 | 109 | ||||
| 350 | S | 46.2 | Very low | 40.2 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 50% | 0.497 | 79% | 0.791 | S | S | . | * | trans | -122.6 | 90.1 | -170.6 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | D348 V352 | D348-S350 WeakPolarHBondContact OD1-CB 3.24Å; S350-V352 PolarHBondContact O-N 2.83Å; S350-V352 WeakPolarHBondContact OG-CG2 3.49Å | ||
| 351 | W | 48.6 | Very low | 40.6 | Very low | 256 Ų | 256 | 148.3 Ų | 148.3 | 97% | 0.97 | 80% | 0.798 | S | S | * | * | trans | -75.7 | 75 | 171.9 | -75.5 | 95.8 | 0 | 0 | 0 | 110.8 | ||||
| 352 | V | 51.9 | Low | 40.8 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -109.3 | 128.6 | 177.9 | 175 | 0 | 0 | 0 | 0 | 110.2 | S350 | S350-V352 PolarHBondContact O-N 2.83Å; S350-V352 WeakPolarHBondContact OG-CG2 3.49Å | ||
| 353 | F | 42.9 | Very low | 41.1 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 140.2 | 175.3 | -74.4 | -92.6 | 0 | 0 | 0 | 111.1 | S355 | F353-S355 PolarHBondContact O-N 2.91Š|
| 354 | P | 49.8 | Very low | 40.9 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 127 | 178.7 | 27.6 | -34.1 | 0 | 0 | 0 | 111.3 | ||
| 355 | S | 44.9 | Very low | 41.1 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 147.4 | 171.9 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | F353 | F353-S355 PolarHBondContact O-N 2.91Š|
| 356 | P | 46 | Very low | 41.2 | Very low | 113 Ų | 113 | 143 Ų | 143 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 152 | 176.6 | 26.9 | -35 | 0 | 0 | 0 | 111.9 | ||
| 357 | P | 51.4 | Low | 41.3 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 139.7 | -175.7 | 26.3 | -34.7 | 0 | 0 | 0 | 112 | ||
| 358 | K | 43.6 | Very low | 41.1 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71 | 138.8 | 175.2 | -64.9 | -180 | -179.8 | 177.8 | 0 | 110.2 | S360 | K358-S360 PolarHBondContact O-N 2.93Š|
| 359 | S | 38.8 | Very low | 41.1 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -70.7 | 97.6 | 178.1 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | E361 | S359-E361 PolarHBondContact O-N 3.38Š| ||
| 360 | S | 38.8 | Very low | 40.9 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -80.9 | 99.3 | 173.2 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | K358 T362 | K358-S360 PolarHBondContact O-N 2.93Å; S360-T362 PolarHBondContact O-N 3.09Å | ||
| 361 | E | 36.8 | Very low | 40.2 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | 14 | 92.9 | 142.5 | -168.2 | 168.7 | -159.5 | 0 | 0 | 116.5 | S359 | S359-E361 PolarHBondContact O-N 3.38Š| ||
| 362 | T | 38.3 | Very low | 39.5 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -136 | 106.3 | 161.3 | 24.6 | 0 | 0 | 0 | 0 | 108.2 | S360 | S360-T362 PolarHBondContact O-N 3.09Š| ||
| 363 | A | 35.8 | Very low | 39.3 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -78.9 | 128.4 | -174 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 364 | F | 31.5 | Very low | 39 | Very low | 219 Ų | 219 | 140.5 Ų | 140.5 | 96% | 0.961 | 81% | 0.81 | S | S | * | * | trans | -143.6 | 113 | 169.5 | -141.5 | -90.9 | 0 | 0 | 0 | 109.9 | ||||
| 365 | G | 38.1 | Very low | 38.8 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 127.6 | 75 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | T367 | G365-T367 PolarHBondContact O-N 2.82Š| ||
| 366 | E | 34.5 | Very low | 38.1 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 71% | 0.71 | 80% | 0.802 | S | S | * | * | trans | -66.5 | 126.9 | 159.6 | -76.9 | -161.2 | 127 | 0 | 0 | 110.3 | K368 | E366-K368 VanDerWaalsContact CD-CE 3.47Å; E366-K368 WeakPolarHBondContact OE1-CE 3.36Å; E366-K368 IonicContact OE1-NZ 3.49Å; E366-K368 WeakPolarHBondContact OE2-CE 3.2Å; E366-K368 IonicContact OE2-NZ 2.65Å; E366-K368 PolarHBondContact OE2-NZ 3.22Å | ||
| 367 | T | 37.2 | Very low | 37.4 | Very low | 143 Ų | 143 | 143 Ų | 143 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -134.3 | 149.2 | 148.3 | 51.2 | 0 | 0 | 0 | 0 | 109.7 | G365 | G365-T367 PolarHBondContact O-N 2.82Š| ||
| 368 | K | 36.7 | Very low | 37 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -118.8 | 127.1 | -155 | -69.8 | 160.4 | 179.9 | 158.2 | 0 | 112.4 | E366 | E366-K368 VanDerWaalsContact CD-CE 3.47Å; E366-K368 WeakPolarHBondContact OE1-CE 3.36Å; E366-K368 IonicContact OE1-NZ 3.49Å; E366-K368 WeakPolarHBondContact OE2-CE 3.2Å; E366-K368 IonicContact OE2-NZ 2.65Å; E366-K368 PolarHBondContact OE2-NZ 3.22Å | ||
| 369 | S | 32.3 | Very low | 37.1 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | -150.4 | 172.4 | 160.6 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 370 | K | 34.5 | Very low | 36.9 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -132.1 | 140.4 | -153.6 | -96.1 | -178.1 | 175.9 | 179.1 | 0 | 115.3 | ||||
| 371 | T | 32.3 | Very low | 36.8 | Very low | 109 Ų | 109 | 144 Ų | 144 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | trans | 73.2 | 103.1 | 141 | -52.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 372 | L | 32.3 | Very low | 36.7 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | 51.8 | 161.6 | 134.4 | -55.9 | 176.6 | 0 | 0 | 0 | 121.8 | ||||
| 373 | P | 47.8 | Very low | 36.7 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | -130.5 | -170 | -35.7 | 37 | -18 | 0 | 0 | 0 | 113.7 | ||||
| 374 | L | 37.1 | Very low | 36.9 | Very low | 159 Ų | 159 | 148 Ų | 148 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -58.6 | 163.2 | 172.9 | -102.7 | 73.7 | 0 | 0 | 0 | 114.3 | ||||
| 375 | P | 45.9 | Very low | 37.2 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | cis | -158.1 | 178.5 | 49.7 | 45.2 | -23.6 | 0 | 0 | 0 | 121.5 | ||||
| 376 | N | 30.8 | Very low | 37.2 | Very low | 135 Ų | 135 | 149 Ų | 149 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 66.5 | 115.7 | 146.7 | -67.7 | -18.9 | 0 | 0 | 0 | 125.5 | ||||
| 377 | L | 30.9 | Very low | 37.2 | Very low | 158 Ų | 158 | 149.5 Ų | 149.5 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | 62.9 | 166 | 136.5 | -64.5 | 171.6 | 0 | 0 | 0 | 120.6 | ||||
| 378 | P | 42.6 | Very low | 37.4 | Very low | 111 Ų | 111 | 150.1 Ų | 150.1 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | cis | -122.5 | 177.9 | -27.3 | 37.1 | -21.3 | 0 | 0 | 0 | 112.7 | ||||
| 379 | P | 46.9 | Very low | 37.5 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -85.7 | 154.1 | 177.4 | 34.5 | -35.6 | 0 | 0 | 0 | 114.1 | ||||
| 380 | L | 33.4 | Very low | 37.8 | Very low | 170 Ų | 170 | 149.9 Ų | 149.9 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -142.9 | 142.5 | 174.7 | -115.7 | 170.7 | 0 | 0 | 0 | 112.5 | ||||
| 381 | H | 37.9 | Very low | 38.1 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -72.3 | 147 | 170.9 | -75.2 | -126.1 | 0 | 0 | 0 | 111.1 | ||||
| 382 | Y | 33.8 | Very low | 38.5 | Very low | 217 Ų | 217 | 154 Ų | 154 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | 163.5 | 124.6 | 116.4 | -107.1 | -90.4 | 0 | 0 | 0 | 110.9 | |||||
| 383 | L | 38.3 | Very low | 39.2 | Very low | 175 Ų | 175 | 154.9 Ų | 154.9 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -170.1 | 112.5 | 142 | -109.7 | 154.6 | 0 | 0 | 0 | 110 | ||||
| 384 | D | 39.3 | Very low | 39.1 | Very low | 120 Ų | 120 | 160.2 Ų | 160.2 | 64% | 0.642 | 82% | 0.819 | S | S | * | * | trans | -128.7 | 179.4 | 166.7 | 175.8 | 35.9 | 0 | 0 | 0 | 106.6 | ||||
| 385 | Q | 39.1 | Very low | 39.2 | Very low | 164 Ų | 164 | 160.3 Ų | 160.3 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | trans | 84 | 100.8 | -178.7 | -56.5 | -173.9 | -0.6 | 0 | 0 | 112.5 | ||||
| 386 | H | 36.7 | Very low | 38.8 | Very low | 150 Ų | 150 | 163.2 Ų | 163.2 | 69% | 0.694 | 83% | 0.826 | S | S | * | * | 86.1 | 121.5 | 71.9 | -91.4 | 56.1 | 0 | 0 | 0 | 111.8 | |||||
| 387 | N | 34.8 | Very low | 39.3 | Very low | 162 Ų | 162 | 164.7 Ų | 164.7 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | trans | -134 | 102.1 | 172.7 | -156.1 | -10.8 | 0 | 0 | 0 | 107.3 | ||||
| 388 | Q | 42.7 | Very low | 39.8 | Very low | 156 Ų | 156 | 165.1 Ų | 165.1 | 73% | 0.729 | 83% | 0.832 | S | S | * | * | trans | -93.1 | 136.9 | -176.9 | -73.6 | -166.6 | -4.6 | 0 | 0 | 111.2 | C390 | Q388-C390 PolarHBondContact O-N 2.74Š| ||
| 389 | N | 37.7 | Very low | 39.6 | Very low | 170 Ų | 170 | 168.5 Ų | 168.5 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | trans | -72.1 | 121.5 | 175.1 | -75.7 | -65.3 | 0 | 0 | 0 | 111.1 | ||||
| 390 | C | 38.2 | Very low | 39.1 | Very low | 118 Ų | 118 | 171.4 Ų | 171.4 | 80% | 0.797 | 84% | 0.84 | S | S | * | * | trans | -117.9 | 113.5 | 165.5 | -76.6 | 0 | 0 | 0 | 0 | 109.4 | Q388 | Q388-C390 PolarHBondContact O-N 2.74Š| ||
| 391 | L | 41.1 | Very low | 39.5 | Very low | 167 Ų | 167 | 171.5 Ų | 171.5 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -166.4 | 106.8 | 156.3 | -112.1 | 167.7 | 0 | 0 | 0 | 110.5 | ||||
| 392 | Y | 40.5 | Very low | 39.6 | Very low | 226 Ų | 226 | 171.8 Ų | 171.8 | 89% | 0.886 | 84% | 0.842 | S | S | * | * | trans | -159.5 | 149.8 | 161.1 | -119.8 | -73.6 | 0 | 0 | 0 | 109.7 | ||||
| 393 | K | 47 | Very low | 40.1 | Very low | 178 Ų | 178 | 168.1 Ų | 168.1 | 77% | 0.774 | 84% | 0.841 | S | S | * | * | trans | 74 | 148.2 | -175.4 | -56.1 | -177.6 | 179.2 | -179.3 | 0 | 114.7 | ||||
| 394 | N | 45.8 | Very low | 40.3 | Very low | 231 Ų | 231 | 167.5 Ų | 167.5 | 100% | 1.235 | 83% | 0.834 | S | S | * | * | cis | -95.4 | 0 | 0.1 | -64.9 | -71.4 | 0 | 0 | 0 | 112.2 |
Retrieved 394 of 394 residues in 93.3 ms
(Link to these results)