| 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 | 24.7 | Very low | 30.3 | Very low | 209 Ų | 209 | 151.1 Ų | 151.1 | 100% | 1.03 | 79% | 0.785 | S | S | * | * | 0 | -100.2 | 0 | -64.3 | -47.6 | -170.7 | 0 | 0 | 111.2 | Q3 L4 | M1-Q3 VanDerWaalsContact C-N 3.35Å; M1-Q3 PolarHBondContact O-N 3.32Å; M1-Q3 VanDerWaalsContact O-N 3.13Å; M1-L4 PolarHBondContact O-N 2.69Å; M1-L4 VanDerWaalsContact O-N 3.07Å | |||
| 2 | R | 26.3 | Very low | 30.1 | Very low | 234 Ų | 234 | 147.8 Ų | 147.8 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -53 | -40 | -169 | -86.2 | -174.2 | 175.1 | 160.9 | -0.1 | 116 | L4 A5 | R2-L4 PolarHBondContact O-N 2.67Å; R2-A5 PolarHBondContact O-N 2.97Å |
| 3 | Q | 33.6 | Very low | 29.9 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -67.5 | -0.5 | -179.7 | -74.5 | 172.6 | -38.7 | 0 | 0 | 115.8 | M1 | M1-Q3 VanDerWaalsContact C-N 3.35Å; M1-Q3 PolarHBondContact O-N 3.32Å; M1-Q3 VanDerWaalsContact O-N 3.13Å |
| 4 | L | 29 | Very low | 29.7 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -96.2 | -1.6 | 174.3 | -76.9 | 166.5 | 0 | 0 | 0 | 113.9 | M1 R2 | M1-L4 PolarHBondContact O-N 2.69Å; M1-L4 VanDerWaalsContact O-N 3.07Å; R2-L4 PolarHBondContact O-N 2.67Å |
| 5 | A | 35.6 | Very low | 29.4 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 58% | 0.579 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -84.6 | -34.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R2 | R2-A5 PolarHBondContact O-N 2.97Š|
| 6 | D | 34 | Very low | 29.1 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -91 | -2.6 | -163.7 | -57.3 | -40.9 | 0 | 0 | 0 | 114.6 | S8 | D6-S8 PolarHBondContact O-N 3.11Å; D6-S8 VanDerWaalsContact O-N 3.17Å |
| 7 | F | 27.2 | Very low | 28.8 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 24.7 | -177.4 | -83.1 | -77.3 | 0 | 0 | 0 | 114.9 | ||
| 8 | S | 33.3 | Very low | 28.5 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -8.6 | 176.9 | 56 | 0 | 0 | 0 | 0 | 114.4 | D6 I10 | D6-S8 PolarHBondContact O-N 3.11Å; D6-S8 VanDerWaalsContact O-N 3.17Å; S8-I10 PolarHBondContact O-N 3.1Å; S8-I10 VanDerWaalsContact O-N 3.16Å |
| 9 | S | 32.1 | Very low | 28.2 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -82.3 | 86.8 | 171.3 | 62 | 0 | 0 | 0 | 0 | 111 | D11 | S9-D11 PolarHBondContact O-N 3.39Š| ||
| 10 | I | 26.8 | Very low | 28.1 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | -69.4 | 119.4 | 175.1 | -61.7 | 165.4 | 0 | 0 | 0 | 109.4 | S8 | S8-I10 PolarHBondContact O-N 3.1Å; S8-I10 VanDerWaalsContact O-N 3.16Å | ||
| 11 | D | 30.4 | Very low | 27.8 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -143.5 | 142.3 | 155.8 | -140.9 | -24 | 0 | 0 | 0 | 111.6 | S9 S13 | S9-D11 PolarHBondContact O-N 3.39Å; D11-S13 PolarHBondContact O-N 3.05Å | ||
| 12 | S | 28.3 | Very low | 27.9 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -106.4 | 65.9 | -147.6 | 59.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 13 | S | 26.7 | Very low | 27.9 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | -159.8 | 66.5 | 168.3 | 59.3 | 0 | 0 | 0 | 0 | 114.8 | D11 | D11-S13 PolarHBondContact O-N 3.05Š| ||
| 14 | G | 27.8 | Very low | 27.7 | Very low | 57 Ų | 57 | 130.6 Ų | 130.6 | 59% | 0.588 | 75% | 0.746 | S | S | * | * | trans | -146.8 | 115.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F16 | G14-F16 PolarHBondContact O-N 3.27Š| ||
| 15 | S | 24.9 | Very low | 27.6 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -83.2 | 104.7 | 171.4 | 51.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 16 | F | 24.4 | Very low | 27.3 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 77% | 0.768 | 76% | 0.757 | S | S | * | * | trans | -90.3 | 115.1 | 177.6 | -76.8 | -89.2 | 0 | 0 | 0 | 111.5 | G14 I18 | G14-F16 PolarHBondContact O-N 3.27Å; F16-I18 PolarHBondContact O-N 3.07Å | ||
| 17 | E | 23.5 | Very low | 26.8 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -77.5 | 107.5 | 165.3 | -68.4 | -172.8 | 129.4 | 0 | 0 | 109.5 | L19 | E17-L19 PolarHBondContact O-N 2.81Š| ||
| 18 | I | 24.5 | Very low | 26.7 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -84.8 | 96.6 | 174 | -54.3 | -179.7 | 0 | 0 | 0 | 108.2 | F16 V20 | F16-I18 PolarHBondContact O-N 3.07Å; I18-V20 VanDerWaalsContact C-N 3.32Å; I18-V20 HydrophobicContact CG2-CG2 3.81Å; I18-V20 PolarHBondContact O-N 3.13Å | ||
| 19 | L | 22.6 | Very low | 26.2 | Very low | 152 Ų | 152 | 137 Ų | 137 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | -76.6 | 78.8 | -178.5 | -162.1 | 122.3 | 0 | 0 | 0 | 111.3 | E17 H21 | E17-L19 PolarHBondContact O-N 2.81Å; L19-H21 PolarHBondContact O-N 3.28Å | ||
| 20 | V | 25.5 | Very low | 25.8 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 65% | 0.648 | 78% | 0.778 | S | S | * | * | trans | -73.2 | 108.7 | -179.3 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | I18 V22 | I18-V20 VanDerWaalsContact C-N 3.32Å; I18-V20 HydrophobicContact CG2-CG2 3.81Å; I18-V20 PolarHBondContact O-N 3.13Å; V20-V22 HydrophobicContact CG1-CG2 3.84Å; V20-V22 PolarHBondContact O-N 3.04Å | ||
| 21 | H | 23 | Very low | 25.6 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -78.4 | 82.5 | 178.6 | -134.9 | -70.4 | 0 | 0 | 0 | 110.8 | L19 N23 | L19-H21 PolarHBondContact O-N 3.28Å; H21-N23 PolarHBondContact O-N 3.06Å | ||
| 22 | V | 26 | Very low | 25.2 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | trans | -76.3 | 118.8 | -178.7 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | V20 | V20-V22 HydrophobicContact CG1-CG2 3.84Å; V20-V22 PolarHBondContact O-N 3.04Å | ||
| 23 | N | 26.4 | Very low | 25.1 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 65% | 0.652 | 77% | 0.766 | S | S | * | * | trans | -74.1 | 119.9 | 175.4 | -174.2 | 3.3 | 0 | 0 | 0 | 110 | H21 Q25 | H21-N23 PolarHBondContact O-N 3.06Å; N23-Q25 VanDerWaalsContact C-N 3.26Å; N23-Q25 PolarHBondContact O-N 3.25Å | ||
| 24 | P | 29.2 | Very low | 24.9 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 8.7 | -160 | 28.7 | -37.8 | 0 | 0 | 0 | 117.2 | N26 | P24-N26 PolarHBondContact O-N 2.82Š|
| 25 | Q | 28.2 | Very low | 24.8 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 0.4 | -172.3 | -72.2 | -170.8 | -28.2 | 0 | 0 | 116.1 | N23 | N23-Q25 VanDerWaalsContact C-N 3.26Å; N23-Q25 PolarHBondContact O-N 3.25Å |
| 26 | N | 27.5 | Very low | 24.9 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | -120.6 | 100.5 | 174.3 | -81.7 | -40.9 | 0 | 0 | 0 | 111.2 | P24 P28 | P24-N26 PolarHBondContact O-N 2.82Å; N26-P28 WeakPolarHBondContact O-CD 3.41Å | ||
| 27 | L | 25 | Very low | 25.1 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -100.9 | 102.3 | 170.9 | -85.1 | 86.9 | 0 | 0 | 0 | 111.9 | ||||
| 28 | P | 24.8 | Very low | 25.4 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | trans | -94.8 | 102.3 | 159.7 | 33.2 | -29 | 0 | 0 | 0 | 110.6 | N26 M30 | N26-P28 WeakPolarHBondContact O-CD 3.41Å; P28-M30 PolarHBondContact O-N 3.26Å | ||
| 29 | L | 22.6 | Very low | 25.8 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | 32.7 | 86.4 | 157.6 | -76.9 | 158.4 | 0 | 0 | 0 | 116.9 | I31 | L29-I31 VanDerWaalsContact C-N 3.29Å; L29-I31 PolarHBondContact O-N 3.27Å | ||
| 30 | M | 24 | Very low | 26.6 | Very low | 181 Ų | 181 | 126.7 Ų | 126.7 | 89% | 0.892 | 76% | 0.756 | S | S | * | * | trans | -63.7 | 91.2 | 156.3 | -90.6 | -176.3 | 58.2 | 0 | 0 | 109.9 | P28 S32 | P28-M30 PolarHBondContact O-N 3.26Å; M30-S32 VanDerWaalsContact C-N 3.29Å; M30-S32 PolarHBondContact O-N 2.9Å | ||
| 31 | I | 22.8 | Very low | 27.6 | Very low | 152 Ų | 152 | 125.5 Ų | 125.5 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -64.8 | 98.8 | 158.1 | -61.4 | 179.2 | 0 | 0 | 0 | 106.2 | L29 V33 | L29-I31 VanDerWaalsContact C-N 3.29Å; L29-I31 PolarHBondContact O-N 3.27Å; I31-V33 PolarHBondContact O-N 2.83Å | ||
| 32 | S | 22.2 | Very low | 28.9 | Very low | 94 Ų | 94 | 120.7 Ų | 120.7 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | trans | -60.6 | 109.1 | -179.8 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | M30 G34 | M30-S32 VanDerWaalsContact C-N 3.29Å; M30-S32 PolarHBondContact O-N 2.9Å; S32-G34 PolarHBondContact O-N 3.36Å | ||
| 33 | V | 25 | Very low | 30.2 | Very low | 121 Ų | 121 | 118.4 Ų | 118.4 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | trans | -62.6 | 107.3 | 164.3 | 175.5 | 0 | 0 | 0 | 0 | 105.7 | I31 C35 | I31-V33 PolarHBondContact O-N 2.83Å; V33-C35 VanDerWaalsContact C-N 3.29Å; V33-C35 PolarHBondContact O-N 2.83Å | ||
| 34 | G | 24 | Very low | 31.7 | Very low | 64 Ų | 64 | 114.6 Ų | 114.6 | 66% | 0.66 | 70% | 0.703 | S | S | * | * | trans | -61.7 | 85 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S32 V36 | S32-G34 PolarHBondContact O-N 3.36Å; G34-V36 PolarHBondContact O-N 3.28Å | ||
| 35 | C | 25.1 | Very low | 32.8 | Very low | 110 Ų | 110 | 111.4 Ų | 111.4 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | trans | -69.1 | 79.3 | 172.3 | -77.5 | 0 | 0 | 0 | 0 | 109.5 | V33 Q37 | V33-C35 VanDerWaalsContact C-N 3.29Å; V33-C35 PolarHBondContact O-N 2.83Å; C35-Q37 PolarHBondContact O-N 2.91Å | ||
| 36 | V | 27.6 | Very low | 34.2 | Very low | 129 Ų | 129 | 104.1 Ų | 104.1 | 78% | 0.782 | 65% | 0.647 | S | S | * | * | trans | -53.8 | 106.2 | 170.9 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | G34 G38 G39 | G34-V36 PolarHBondContact O-N 3.28Å; V36-G38 PolarHBondContact O-N 2.73Å; V36-G39 PolarHBondContact O-N 2.77Å | ||
| 37 | Q | 27.9 | Very low | 36.2 | Very low | 202 Ų | 202 | 103.3 Ų | 103.3 | 94% | 0.944 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 105 | -173.8 | -74.1 | 174.6 | -37.5 | 0 | 0 | 109.7 | C35 | C35-Q37 PolarHBondContact O-N 2.91Š|
| 38 | G | 29.4 | Very low | 38 | Very low | 81 Ų | 81 | 100.8 Ų | 100.8 | 84% | 0.835 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.4 | -23.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V36 | V36-G38 PolarHBondContact O-N 2.73Š|
| 39 | G | 33.4 | Very low | 39.8 | Very low | 67 Ų | 67 | 97.2 Ų | 97.2 | 69% | 0.691 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -73.2 | 131.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V36 | V36-G39 PolarHBondContact O-N 2.77Š|
| 40 | A | 39.4 | Very low | 41.8 | Very low | 77 Ų | 77 | 93.2 Ų | 93.2 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 138.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L42 | A40-L42 PolarHBondContact O-N 2.86Š|
| 41 | C | 46.2 | Very low | 43.8 | Very low | 82 Ų | 82 | 88.6 Ų | 88.6 | 55% | 0.554 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 129.3 | -174.6 | -166.1 | 0 | 0 | 0 | 0 | 111.5 | S43 S44 D45 | C41-S43 PolarHBondContact O-N 2.9Å; C41-S43 PolarHBondContact SG-OG 3.07Å; C41-S43 VanDerWaalsContact SG-OG 3.38Å; C41-S44 PolarHBondContact O-N 2.99Å; C41-S44 PolarHBondContact O-OG 3.41Å; C41-D45 PolarHBondContact O-N 3.31Å |
| 42 | L | 51.2 | Low | 46 | Very low | 78 Ų | 78 | 83 Ų | 83 | 41% | 0.408 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -56.1 | -36.9 | -172.3 | -171.5 | 73.6 | 0 | 0 | 0 | 113 | A40 D45 L46 L68 | A40-L42 PolarHBondContact O-N 2.86Å; L42-D45 PolarHBondContact O-N 2.94Å; L42-L46 PolarHBondContact O-N 2.94Å; L42-L68 HydrophobicContact CD2-CD1 4.27Å |
| 43 | S | 51.8 | Low | 48.1 | Very low | 65 Ų | 65 | 83.9 Ų | 83.9 | 46% | 0.455 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 176.5 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | C41 D45 L46 E47 | C41-S43 PolarHBondContact O-N 2.9Å; C41-S43 PolarHBondContact SG-OG 3.07Å; C41-S43 VanDerWaalsContact SG-OG 3.38Å; S43-D45 VanDerWaalsContact C-N 3.33Å; S43-D45 PolarHBondContact O-N 2.81Å; S43-L46 CarbonylContact O-C 3.59Å; S43-L46 WeakPolarHBondContact O-CA 3.44Å; S43-L46 VanDerWaalsContact O-CB 3.27Å; S43-L46 WeakPolarHBondContact O-CB 3.15Å; S43-L46 PolarHBondContact O-N 2.76Å; S43-E47 PolarHBondContact O-N 3.27Å |
| 44 | S | 58.1 | Low | 49.8 | Very low | 43 Ų | 43 | 82.4 Ų | 82.4 | 30% | 0.301 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -36 | 178.8 | 70.9 | 0 | 0 | 0 | 0 | 112.6 | C41 L46 N48 | C41-S44 PolarHBondContact O-N 2.99Å; C41-S44 PolarHBondContact O-OG 3.41Å; S44-L46 VanDerWaalsContact C-N 3.33Å; S44-N48 WeakPolarHBondContact O-CB 3.42Å; S44-N48 PolarHBondContact O-N 3.41Å; S44-N48 VanDerWaalsContact O-N 3.08Å; S44-N48 PolarHBondContact O-ND2 2.98Å |
| 45 | D | 53.5 | Low | 51.7 | Low | 33 Ų | 33 | 81.9 Ų | 81.9 | 18% | 0.176 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -69.2 | -32.9 | 172.7 | -87.8 | -20.1 | 0 | 0 | 0 | 111.9 | C41 L42 S43 S49 R154 | C41-D45 PolarHBondContact O-N 3.31Å; L42-D45 PolarHBondContact O-N 2.94Å; S43-D45 VanDerWaalsContact C-N 3.33Å; S43-D45 PolarHBondContact O-N 2.81Å; D45-S49 VanDerWaalsContact O-CB 3.3Å; D45-S49 WeakPolarHBondContact O-CB 3.35Å; D45-S49 PolarHBondContact O-N 2.88Å; D45-S49 VanDerWaalsContact O-N 3.07Å; D45-S49 PolarHBondContact O-OG 3.31Å; D45-R154 IonicContact OD1-CZ 3.19Å; D45-R154 IonicContact OD1-NH1 3.72Å; D45-R154 PolarHBondContact OD1-NH1 3.49Å; D45-R154 IonicContact OD1-NH2 2.79Å; D45-R154 PolarHBondContact OD1-NH2 3.3Å; D45-R154 IonicContact OD2-CZ 3.66Å; D45-R154 IonicContact OD2-NH1 2.7Å; D45-R154 PolarHBondContact OD2-NH1 2.96Å; D45-R154 IonicContact OD2-NH2 3.6Å |
| 46 | L | 57.6 | Low | 53.1 | Low | 18 Ų | 18 | 79.1 Ų | 79.1 | 9% | 0.094 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -67.5 | -46.1 | 174.2 | -128.6 | 73.9 | 0 | 0 | 0 | 112.1 | L42 S43 S44 S49 K50 C64 | L42-L46 PolarHBondContact O-N 2.94Å; S43-L46 CarbonylContact O-C 3.59Å; S43-L46 WeakPolarHBondContact O-CA 3.44Å; S43-L46 VanDerWaalsContact O-CB 3.27Å; S43-L46 WeakPolarHBondContact O-CB 3.15Å; S43-L46 PolarHBondContact O-N 2.76Å; S44-L46 VanDerWaalsContact C-N 3.33Å; L46-S49 CarbonylContact O-C 3.57Å; L46-S49 WeakPolarHBondContact O-CB 3.41Å; L46-S49 PolarHBondContact O-N 3.33Å; L46-S49 VanDerWaalsContact O-N 3.13Å; L46-K50 WeakPolarHBondContact O-CG 3.33Å; L46-K50 PolarHBondContact O-N 3.34Å; L46-C64 HydrophobicContact CD1-CB 3.91Å |
| 47 | E | 68 | Low | 54.3 | Low | 133 Ų | 133 | 73.6 Ų | 73.6 | 62% | 0.621 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.5 | -47.3 | 177.4 | -71.1 | -178.4 | 133.8 | 0 | 0 | 111.6 | S43 S49 K50 A51 | S43-E47 PolarHBondContact O-N 3.27Å; E47-S49 PolarHBondContact O-N 3.21Å; E47-K50 PolarHBondContact O-N 3.04Å; E47-K50 VanDerWaalsContact O-N 3.14Å; E47-A51 WeakPolarHBondContact O-CB 3.17Å; E47-A51 PolarHBondContact O-N 2.91Å |
| 48 | N | 63.8 | Low | 55.9 | Low | 111 Ų | 111 | 68.7 Ų | 68.7 | 59% | 0.594 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -57.2 | -34.6 | 172.9 | -80.2 | -64.1 | 0 | 0 | 0 | 112.1 | S44 C52 | S44-N48 WeakPolarHBondContact O-CB 3.42Å; S44-N48 PolarHBondContact O-N 3.41Å; S44-N48 VanDerWaalsContact O-N 3.08Å; S44-N48 PolarHBondContact O-ND2 2.98Å; N48-C52 PolarHBondContact O-N 2.94Å |
| 49 | S | 62.6 | Low | 57.5 | Low | 38 Ų | 38 | 73.7 Ų | 73.7 | 27% | 0.266 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -77.9 | -33.4 | 177.4 | -58 | 0 | 0 | 0 | 0 | 113.2 | D45 L46 E47 C52 | D45-S49 VanDerWaalsContact O-CB 3.3Å; D45-S49 WeakPolarHBondContact O-CB 3.35Å; D45-S49 PolarHBondContact O-N 2.88Å; D45-S49 VanDerWaalsContact O-N 3.07Å; D45-S49 PolarHBondContact O-OG 3.31Å; L46-S49 CarbonylContact O-C 3.57Å; L46-S49 WeakPolarHBondContact O-CB 3.41Å; L46-S49 PolarHBondContact O-N 3.33Å; L46-S49 VanDerWaalsContact O-N 3.13Å; E47-S49 PolarHBondContact O-N 3.21Å; S49-C52 VanDerWaalsContact O-CB 3.24Å; S49-C52 WeakPolarHBondContact O-CB 3.49Å; S49-C52 PolarHBondContact O-N 2.69Å |
| 50 | K | 64.3 | Low | 58.6 | Low | 79 Ų | 79 | 72.2 Ų | 72.2 | 34% | 0.343 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 170.2 | -73.1 | 178.8 | 179.3 | 176.3 | 0 | 111.5 | L46 E47 C52 R58 A61 S65 | L46-K50 WeakPolarHBondContact O-CG 3.33Å; L46-K50 PolarHBondContact O-N 3.34Å; E47-K50 PolarHBondContact O-N 3.04Å; E47-K50 VanDerWaalsContact O-N 3.14Å; K50-C52 VanDerWaalsContact C-N 3.28Å; K50-C52 PolarHBondContact O-N 3.13Å; K50-R58 WeakPolarHBondContact O-CD 3.34Å; K50-R58 VanDerWaalsContact O-CG 3.29Å; K50-R58 WeakPolarHBondContact O-CG 3.32Å; K50-A61 HydrophobicContact CG-CB 3.77Å; K50-S65 PolarHBondContact NZ-OG 2.89Å |
| 51 | A | 66.8 | Low | 59.7 | Low | 83 Ų | 83 | 68.7 Ų | 68.7 | 69% | 0.686 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -75.8 | -10.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | E47 | E47-A51 WeakPolarHBondContact O-CB 3.17Å; E47-A51 PolarHBondContact O-N 2.91Å |
| 52 | C | 68 | Low | 60.8 | Low | 36 Ų | 36 | 68.6 Ų | 68.6 | 24% | 0.243 | 38% | 0.382 | C | S | . | . | trans | -61.7 | 139.4 | -177.4 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | N48 S49 K50 Q54 C57 R58 | N48-C52 PolarHBondContact O-N 2.94Å; S49-C52 VanDerWaalsContact O-CB 3.24Å; S49-C52 WeakPolarHBondContact O-CB 3.49Å; S49-C52 PolarHBondContact O-N 2.69Å; K50-C52 VanDerWaalsContact C-N 3.28Å; K50-C52 PolarHBondContact O-N 3.13Å; C52-Q54 VanDerWaalsContact C-N 3.25Å; C52-Q54 PolarHBondContact O-N 3.23Å; C52-C57 HydrophobicContact CB-CB 3.65Å; C52-C57 VanDerWaalsContact SG-SG 3.66Å; C52-R58 WeakPolarHBondContact O-CD 3.41Å; C52-R58 VanDerWaalsContact O-CG 3.32Å; C52-R58 WeakPolarHBondContact O-CG 3.09Å; C52-R58 PolarHBondContact O-NH1 3.42Å | ||
| 53 | S | 66.1 | Low | 61.3 | Low | 111 Ų | 111 | 69.7 Ų | 69.7 | 78% | 0.776 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -65.8 | -23.2 | 179.7 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | R58 | S53-R58 PolarHBondContact O-NH1 3.31Š|
| 54 | Q | 60.3 | Low | 61.5 | Low | 91 Ų | 91 | 67.3 Ų | 67.3 | 43% | 0.425 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -83.9 | 131.9 | 179.4 | -60.6 | -169.4 | 9.7 | 0 | 0 | 113.2 | C52 S56 C57 R58 | C52-Q54 VanDerWaalsContact C-N 3.25Å; C52-Q54 PolarHBondContact O-N 3.23Å; Q54-S56 VanDerWaalsContact C-N 3.27Å; Q54-S56 PolarHBondContact O-N 2.94Å; Q54-S56 PolarHBondContact OE1-OG 3.3Å; Q54-C57 HydrophobicContact CB-CB 4.45Å; Q54-C57 PolarHBondContact O-N 3.4Å; Q54-R58 PolarHBondContact O-N 3.37Å |
| 55 | A | 65.3 | Low | 61.9 | Low | 53 Ų | 53 | 66 Ų | 66 | 44% | 0.438 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72.2 | -13.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | R59 | A55-R59 WeakPolarHBondContact O-CG 3.47Å; A55-R59 PolarHBondContact O-N 2.97Å; A55-R59 PolarHBondContact O-NE 3.28Å; A55-R59 VanDerWaalsContact O-NE 3.12Å |
| 56 | S | 54.2 | Low | 62.5 | Low | 52 Ų | 52 | 69.5 Ų | 69.5 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.2 | -54.3 | 167.3 | 43.9 | 0 | 0 | 0 | 0 | 110.6 | Q54 R58 R59 V60 | Q54-S56 VanDerWaalsContact C-N 3.27Å; Q54-S56 PolarHBondContact O-N 2.94Å; Q54-S56 PolarHBondContact OE1-OG 3.3Å; S56-R58 PolarHBondContact O-N 2.85Å; S56-R59 PolarHBondContact O-N 3.45Å; S56-R59 VanDerWaalsContact O-N 3.15Å; S56-V60 PolarHBondContact O-N 3.3Å; S56-V60 VanDerWaalsContact O-N 3.08Å |
| 57 | C | 52 | Low | 62.5 | Low | 13 Ų | 13 | 69.8 Ų | 69.8 | 9% | 0.088 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.6 | -47.3 | -178.9 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | C52 Q54 R59 V60 A61 L157 | C52-C57 HydrophobicContact CB-CB 3.65Å; C52-C57 VanDerWaalsContact SG-SG 3.66Å; Q54-C57 HydrophobicContact CB-CB 4.45Å; Q54-C57 PolarHBondContact O-N 3.4Å; C57-R59 PolarHBondContact O-N 2.71Å; C57-V60 PolarHBondContact O-N 2.68Å; C57-A61 WeakPolarHBondContact O-CB 3.32Å; C57-A61 PolarHBondContact O-N 2.74Å; C57-L157 WeakPolarHBondContact SG-CD1 3.44Å |
| 58 | R | 63.1 | Low | 62.3 | Low | 98 Ų | 98 | 66.3 Ų | 66.3 | 37% | 0.37 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 178 | -60.4 | -162.5 | -63.1 | -84.7 | 3.3 | 113.2 | K50 C52 S53 Q54 S56 A61 N62 | K50-R58 WeakPolarHBondContact O-CD 3.34Å; K50-R58 VanDerWaalsContact O-CG 3.29Å; K50-R58 WeakPolarHBondContact O-CG 3.32Å; C52-R58 WeakPolarHBondContact O-CD 3.41Å; C52-R58 VanDerWaalsContact O-CG 3.32Å; C52-R58 WeakPolarHBondContact O-CG 3.09Å; C52-R58 PolarHBondContact O-NH1 3.42Å; S53-R58 PolarHBondContact O-NH1 3.31Å; Q54-R58 PolarHBondContact O-N 3.37Å; S56-R58 PolarHBondContact O-N 2.85Å; R58-A61 PolarHBondContact O-N 2.93Å; R58-N62 WeakPolarHBondContact O-CB 3.46Å; R58-N62 VanDerWaalsContact O-CG 3.28Å; R58-N62 PolarHBondContact O-N 3.42Å; R58-N62 PolarHBondContact O-OD1 3.01Å |
| 59 | R | 62.5 | Low | 62.4 | Low | 186 Ų | 186 | 64.3 Ų | 64.3 | 70% | 0.702 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.7 | -44 | 175.9 | -83.7 | -174.8 | -73.3 | 168.9 | -6 | 111.9 | A55 S56 C57 H63 | A55-R59 WeakPolarHBondContact O-CG 3.47Å; A55-R59 PolarHBondContact O-N 2.97Å; A55-R59 PolarHBondContact O-NE 3.28Å; A55-R59 VanDerWaalsContact O-NE 3.12Å; S56-R59 PolarHBondContact O-N 3.45Å; S56-R59 VanDerWaalsContact O-N 3.15Å; C57-R59 PolarHBondContact O-N 2.71Å; R59-H63 WeakPolarHBondContact O-CB 3.13Å; R59-H63 PolarHBondContact O-N 2.98Å |
| 60 | V | 56.2 | Low | 62.1 | Low | 36 Ų | 36 | 65 Ų | 65 | 22% | 0.218 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 177.2 | 175.6 | 0 | 0 | 0 | 0 | 111 | S56 C57 N62 H63 C64 V150 M153 | S56-V60 PolarHBondContact O-N 3.3Å; S56-V60 VanDerWaalsContact O-N 3.08Å; C57-V60 PolarHBondContact O-N 2.68Å; V60-N62 VanDerWaalsContact C-N 3.35Å; V60-N62 PolarHBondContact O-N 3.24Å; V60-H63 PolarHBondContact O-N 2.69Å; V60-C64 WeakPolarHBondContact O-CB 3.42Å; V60-C64 PolarHBondContact O-N 3Å; V60-C64 PolarHBondContact O-SG 3.47Å; V60-V150 HydrophobicContact CG1-CG2 3.63Å; V60-M153 HydrophobicContact CB-CE 4.37Å; V60-M153 HydrophobicContact CG1-CE 3.7Å; V60-M153 HydrophobicContact CG2-CE 3.85Å; V60-M153 HydrophobicContact CG2-SD 3.89Å |
| 61 | A | 62.4 | Low | 61.7 | Low | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.025 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63 | -38.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K50 C57 R58 S65 | K50-A61 HydrophobicContact CG-CB 3.77Å; C57-A61 WeakPolarHBondContact O-CB 3.32Å; C57-A61 PolarHBondContact O-N 2.74Å; R58-A61 PolarHBondContact O-N 2.93Å; A61-S65 WeakPolarHBondContact O-CB 3.46Å; A61-S65 PolarHBondContact O-N 3.34Å |
| 62 | N | 70 | Confident | 61.5 | Low | 81 Ų | 81 | 63.7 Ų | 63.7 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67 | -45.9 | 172.9 | -74.1 | 4.6 | 0 | 0 | 0 | 111.5 | R58 V60 C64 S65 N66 | R58-N62 WeakPolarHBondContact O-CB 3.46Å; R58-N62 VanDerWaalsContact O-CG 3.28Å; R58-N62 PolarHBondContact O-N 3.42Å; R58-N62 PolarHBondContact O-OD1 3.01Å; V60-N62 VanDerWaalsContact C-N 3.35Å; V60-N62 PolarHBondContact O-N 3.24Å; N62-C64 VanDerWaalsContact C-N 3.31Å; N62-C64 PolarHBondContact O-N 3.08Å; N62-S65 WeakPolarHBondContact O-CA 3.17Å; N62-S65 VanDerWaalsContact O-CB 3.26Å; N62-S65 WeakPolarHBondContact O-CB 3.48Å; N62-S65 PolarHBondContact O-N 2.91Å; N62-N66 PolarHBondContact O-N 3.43Å; N62-N66 PolarHBondContact O-OD1 3.4Å |
| 63 | H | 61.9 | Low | 61.2 | Low | 101 Ų | 101 | 67.7 Ų | 67.7 | 47% | 0.468 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 177.2 | -177.4 | 40.8 | 0 | 0 | 0 | 112.2 | R59 V60 S65 N66 L67 | R59-H63 WeakPolarHBondContact O-CB 3.13Å; R59-H63 PolarHBondContact O-N 2.98Å; V60-H63 PolarHBondContact O-N 2.69Å; H63-S65 VanDerWaalsContact C-N 3.32Å; H63-S65 PolarHBondContact O-N 3.34Å; H63-N66 PolarHBondContact O-N 3.46Å; H63-L67 WeakPolarHBondContact O-CD1 3.26Å; H63-L67 PolarHBondContact O-N 3.23Å; H63-L67 VanDerWaalsContact O-N 3.1Å |
| 64 | C | 54.1 | Low | 60.8 | Low | 15 Ų | 15 | 65.6 Ų | 65.6 | 10% | 0.101 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67 | -31 | 175 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | L46 V60 N62 L68 | L46-C64 HydrophobicContact CD1-CB 3.91Å; V60-C64 WeakPolarHBondContact O-CB 3.42Å; V60-C64 PolarHBondContact O-N 3Å; V60-C64 PolarHBondContact O-SG 3.47Å; N62-C64 VanDerWaalsContact C-N 3.31Å; N62-C64 PolarHBondContact O-N 3.08Å; C64-L68 PolarHBondContact O-N 2.78Å; C64-L68 VanDerWaalsContact O-N 3.09Å |
| 65 | S | 67.8 | Low | 60.6 | Low | 15 Ų | 15 | 67.4 Ų | 67.4 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -59 | 171.3 | -161.6 | 0 | 0 | 0 | 0 | 109.8 | K50 A61 N62 H63 L67 L68 D69 | K50-S65 PolarHBondContact NZ-OG 2.89Å; A61-S65 WeakPolarHBondContact O-CB 3.46Å; A61-S65 PolarHBondContact O-N 3.34Å; N62-S65 WeakPolarHBondContact O-CA 3.17Å; N62-S65 VanDerWaalsContact O-CB 3.26Å; N62-S65 WeakPolarHBondContact O-CB 3.48Å; N62-S65 PolarHBondContact O-N 2.91Å; H63-S65 VanDerWaalsContact C-N 3.32Å; H63-S65 PolarHBondContact O-N 3.34Å; S65-L67 PolarHBondContact O-N 2.74Å; S65-L68 CarbonylContact O-C 3.59Å; S65-L68 WeakPolarHBondContact O-CA 3.37Å; S65-L68 WeakPolarHBondContact O-CB 3.43Å; S65-L68 PolarHBondContact O-N 2.67Å; S65-D69 PolarHBondContact O-N 2.66Å; S65-D69 PolarHBondContact OG-OD2 3.35Å |
| 66 | N | 66.4 | Low | 60.6 | Low | 106 Ų | 106 | 69 Ų | 69 | 57% | 0.567 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -56.2 | -30.8 | -177.5 | -62.8 | 25 | 0 | 0 | 0 | 112.6 | N62 H63 D69 A70 | N62-N66 PolarHBondContact O-N 3.43Å; N62-N66 PolarHBondContact O-OD1 3.4Å; H63-N66 PolarHBondContact O-N 3.46Å; N66-D69 PolarHBondContact N-OD2 3.14Å; N66-A70 VanDerWaalsContact O-CB 3.23Å; N66-A70 WeakPolarHBondContact O-CB 3.32Å; N66-A70 PolarHBondContact O-N 3.06Å |
| 67 | L | 57 | Low | 61.2 | Low | 25 Ų | 25 | 71.2 Ų | 71.2 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.7 | -41.2 | 173.2 | -88.9 | 155.7 | 0 | 0 | 0 | 113.4 | H63 S65 D69 A70 V71 L143 L146 | H63-L67 WeakPolarHBondContact O-CD1 3.26Å; H63-L67 PolarHBondContact O-N 3.23Å; H63-L67 VanDerWaalsContact O-N 3.1Å; S65-L67 PolarHBondContact O-N 2.74Å; L67-D69 VanDerWaalsContact C-N 3.35Å; L67-A70 PolarHBondContact O-N 3.03Å; L67-V71 WeakPolarHBondContact O-CG2 3.22Å; L67-V71 PolarHBondContact O-N 3.32Å; L67-L143 HydrophobicContact CB-CD1 3.88Å; L67-L146 HydrophobicContact CD1-CD1 3.49Å; L67-L146 VanDerWaalsContact CD1-CD1 3.49Å; L67-L146 HydrophobicContact CD1-CD2 4.26Å; L67-L146 HydrophobicContact CD1-CG 4.41Å |
| 68 | L | 63.6 | Low | 61.6 | Low | 59 Ų | 59 | 73 Ų | 73 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 172.9 | -163.5 | 77.2 | 0 | 0 | 0 | 110.5 | L42 C64 S65 V71 L72 | L42-L68 HydrophobicContact CD2-CD1 4.27Å; C64-L68 PolarHBondContact O-N 2.78Å; C64-L68 VanDerWaalsContact O-N 3.09Å; S65-L68 CarbonylContact O-C 3.59Å; S65-L68 WeakPolarHBondContact O-CA 3.37Å; S65-L68 WeakPolarHBondContact O-CB 3.43Å; S65-L68 PolarHBondContact O-N 2.67Å; L68-V71 PolarHBondContact O-N 3.12Å; L68-L72 HydrophobicContact CG-CD1 4.45Å; L68-L72 WeakPolarHBondContact O-CG 3.39Å; L68-L72 PolarHBondContact O-N 3.08Å |
| 69 | D | 65.7 | Low | 61.4 | Low | 70 Ų | 70 | 72.9 Ų | 72.9 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 177.2 | -56.2 | -38.2 | 0 | 0 | 0 | 110.5 | S65 N66 L67 L72 I73 | S65-D69 PolarHBondContact O-N 2.66Å; S65-D69 PolarHBondContact OG-OD2 3.35Å; N66-D69 PolarHBondContact N-OD2 3.14Å; L67-D69 VanDerWaalsContact C-N 3.35Å; D69-L72 PolarHBondContact O-N 3.45Å; D69-I73 VanDerWaalsContact O-CG1 3.29Å; D69-I73 WeakPolarHBondContact O-CG1 3.43Å; D69-I73 PolarHBondContact O-N 3.24Å |
| 70 | A | 55.7 | Low | 61.4 | Low | 52 Ų | 52 | 70.4 Ų | 70.4 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N66 L67 I73 F74 | N66-A70 VanDerWaalsContact O-CB 3.23Å; N66-A70 WeakPolarHBondContact O-CB 3.32Å; N66-A70 PolarHBondContact O-N 3.06Å; L67-A70 PolarHBondContact O-N 3.03Å; A70-I73 PolarHBondContact O-N 3.42Å; A70-F74 VanDerWaalsContact O-CB 3.29Å; A70-F74 WeakPolarHBondContact O-CB 3.24Å; A70-F74 PolarHBondContact O-N 3.27Å |
| 71 | V | 57.5 | Low | 61.6 | Low | 38 Ų | 38 | 73.2 Ų | 73.2 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 175.6 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | L67 L68 F74 K75 | L67-V71 WeakPolarHBondContact O-CG2 3.22Å; L67-V71 PolarHBondContact O-N 3.32Å; L68-V71 PolarHBondContact O-N 3.12Å; V71-F74 PolarHBondContact O-N 3.36Å; V71-K75 VanDerWaalsContact O-CB 3.26Å; V71-K75 WeakPolarHBondContact O-CB 3.46Å; V71-K75 PolarHBondContact O-N 3.44Å |
| 72 | L | 61.8 | Low | 61.2 | Low | 97 Ų | 97 | 77.9 Ų | 77.9 | 51% | 0.508 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 174.9 | -74.3 | 167.7 | 0 | 0 | 0 | 111.8 | L68 D69 K75 T76 | L68-L72 HydrophobicContact CG-CD1 4.45Å; L68-L72 WeakPolarHBondContact O-CG 3.39Å; L68-L72 PolarHBondContact O-N 3.08Å; D69-L72 PolarHBondContact O-N 3.45Å; L72-K75 PolarHBondContact O-N 2.99Å; L72-T76 WeakPolarHBondContact O-CB 3.45Å; L72-T76 PolarHBondContact O-N 3.08Å; L72-T76 PolarHBondContact O-OG1 3.05Å |
| 73 | I | 62.7 | Low | 60.5 | Low | 119 Ų | 119 | 78.7 Ų | 78.7 | 61% | 0.61 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60 | -48.6 | 174.2 | -68.7 | 163.8 | 0 | 0 | 0 | 110.4 | D69 A70 K75 T76 W77 | D69-I73 VanDerWaalsContact O-CG1 3.29Å; D69-I73 WeakPolarHBondContact O-CG1 3.43Å; D69-I73 PolarHBondContact O-N 3.24Å; A70-I73 PolarHBondContact O-N 3.42Å; I73-K75 PolarHBondContact O-N 3.28Å; I73-T76 PolarHBondContact O-N 3.45Å; I73-W77 WeakPolarHBondContact O-CB 3.42Å; I73-W77 PolarHBondContact O-N 2.68Å |
| 74 | F | 56.5 | Low | 59.9 | Low | 67 Ų | 67 | 79.6 Ų | 79.6 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | -179.2 | -163 | -90 | 0 | 0 | 0 | 112.3 | A70 V71 F78 V132 H135 A136 | A70-F74 VanDerWaalsContact O-CB 3.29Å; A70-F74 WeakPolarHBondContact O-CB 3.24Å; A70-F74 PolarHBondContact O-N 3.27Å; V71-F74 PolarHBondContact O-N 3.36Å; F74-F78 WeakPolarHBondContact O-CB 3Å; F74-F78 PolarHBondContact O-N 3.28Å; F74-V132 HydrophobicContact CE1-CG1 3.8Å; F74-V132 HydrophobicContact CZ-CB 4.49Å; F74-V132 HydrophobicContact CZ-CG1 3.84Å; F74-H135 HydrophobicContact CZ-CB 4.4Å; F74-A136 HydrophobicContact CE1-CB 4.07Å |
| 75 | K | 57.2 | Low | 59.5 | Low | 130 Ų | 130 | 82.2 Ų | 82.2 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.6 | -38.5 | 176.2 | -172.4 | 171.7 | -176.9 | 174.7 | 0 | 112.2 | V71 L72 I73 F78 I79 | V71-K75 VanDerWaalsContact O-CB 3.26Å; V71-K75 WeakPolarHBondContact O-CB 3.46Å; V71-K75 PolarHBondContact O-N 3.44Å; L72-K75 PolarHBondContact O-N 2.99Å; I73-K75 PolarHBondContact O-N 3.28Å; K75-F78 PolarHBondContact O-N 3.38Å; K75-I79 HydrophobicContact CG-CD1 4.06Å; K75-I79 WeakPolarHBondContact O-CD1 3.36Å; K75-I79 VanDerWaalsContact O-CG1 3.27Å; K75-I79 WeakPolarHBondContact O-CG1 3.49Å; K75-I79 PolarHBondContact O-N 3.32Å |
| 76 | T | 65.3 | Low | 58.2 | Low | 85 Ų | 85 | 86.9 Ų | 86.9 | 52% | 0.521 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 176.8 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | L72 I73 F78 I79 Q80 | L72-T76 WeakPolarHBondContact O-CB 3.45Å; L72-T76 PolarHBondContact O-N 3.08Å; L72-T76 PolarHBondContact O-OG1 3.05Å; I73-T76 PolarHBondContact O-N 3.45Å; T76-F78 PolarHBondContact O-N 3.18Å; T76-I79 PolarHBondContact O-N 2.98Å; T76-Q80 WeakPolarHBondContact O-CB 3.23Å; T76-Q80 PolarHBondContact O-N 3.07Å |
| 77 | W | 65.7 | Low | 56.9 | Low | 100 Ų | 100 | 87.1 Ų | 87.1 | 38% | 0.379 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 174.2 | 177.2 | 86 | 0 | 0 | 0 | 112.4 | I73 Q80 R81 V132 | I73-W77 WeakPolarHBondContact O-CB 3.42Å; I73-W77 PolarHBondContact O-N 2.68Å; W77-Q80 PolarHBondContact O-N 2.75Å; W77-R81 PolarHBondContact O-N 3.03Å; W77-V132 HydrophobicContact CH2-CG2 4.02Å; W77-V132 HydrophobicContact CZ3-CG1 4.17Å; W77-V132 HydrophobicContact CZ3-CG2 3.85Å |
| 78 | F | 59.9 | Low | 55.9 | Low | 51 Ų | 51 | 91.9 Ų | 91.9 | 22% | 0.224 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 176.2 | -174.7 | -97.1 | 0 | 0 | 0 | 112.2 | F74 K75 T76 Q80 R81 Q82 V132 M133 | F74-F78 WeakPolarHBondContact O-CB 3Å; F74-F78 PolarHBondContact O-N 3.28Å; K75-F78 PolarHBondContact O-N 3.38Å; T76-F78 PolarHBondContact O-N 3.18Å; F78-Q80 VanDerWaalsContact C-N 3.34Å; F78-Q80 PolarHBondContact O-N 3.14Å; F78-R81 PolarHBondContact O-N 2.8Å; F78-Q82 PolarHBondContact O-N 2.93Å; F78-V132 HydrophobicContact CD2-CG1 3.66Å; F78-V132 HydrophobicContact CE2-CG1 3.94Å; F78-M133 HydrophobicContact CE2-SD 4.47Å; F78-M133 HydrophobicContact CZ-SD 4.28Å |
| 79 | I | 60.6 | Low | 54.5 | Low | 95 Ų | 95 | 96.1 Ų | 96.1 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 176.7 | -68.8 | 164.6 | 0 | 0 | 0 | 110.7 | K75 T76 R81 Q82 | K75-I79 HydrophobicContact CG-CD1 4.06Å; K75-I79 WeakPolarHBondContact O-CD1 3.36Å; K75-I79 VanDerWaalsContact O-CG1 3.27Å; K75-I79 WeakPolarHBondContact O-CG1 3.49Å; K75-I79 PolarHBondContact O-N 3.32Å; T76-I79 PolarHBondContact O-N 2.98Å; I79-R81 PolarHBondContact O-N 3.44Å; I79-Q82 WeakPolarHBondContact O-CB 3.42Å; I79-Q82 PolarHBondContact O-N 3.42Å |
| 80 | Q | 61.3 | Low | 53.3 | Low | 134 Ų | 134 | 98.4 Ų | 98.4 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.7 | -36.8 | 179.7 | -170.5 | 172.2 | 6.4 | 0 | 0 | 112.7 | T76 W77 F78 Q82 S83 | T76-Q80 WeakPolarHBondContact O-CB 3.23Å; T76-Q80 PolarHBondContact O-N 3.07Å; W77-Q80 PolarHBondContact O-N 2.75Å; F78-Q80 VanDerWaalsContact C-N 3.34Å; F78-Q80 PolarHBondContact O-N 3.14Å; Q80-Q82 VanDerWaalsContact C-N 3.34Å; Q80-S83 PolarHBondContact O-OG 2.84Å |
| 81 | R | 59.7 | Low | 52.1 | Low | 95 Ų | 95 | 105.2 Ų | 105.2 | 36% | 0.358 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -76.7 | -17.4 | 170.9 | -94.9 | -179.6 | 154 | -159.9 | -10.2 | 114 | W77 F78 I79 S83 D84 L85 E128 | W77-R81 PolarHBondContact O-N 3.03Å; F78-R81 PolarHBondContact O-N 2.8Å; I79-R81 PolarHBondContact O-N 3.44Å; R81-S83 PolarHBondContact O-N 3.29Å; R81-D84 PolarHBondContact O-N 2.77Å; R81-D84 VanDerWaalsContact O-N 3.08Å; R81-L85 PolarHBondContact O-N 3.08Å; R81-E128 IonicContact CZ-OE1 3.57Å; R81-E128 IonicContact CZ-OE2 3.9Å; R81-E128 IonicContact NH1-OE1 2.7Å; R81-E128 PolarHBondContact NH1-OE1 2.96Å; R81-E128 IonicContact NH1-OE2 3.36Å; R81-E128 PolarHBondContact NH1-OE2 2.93Å; R81-E128 IonicContact NH2-OE1 3.5Å; R81-E128 PolarHBondContact NH2-OE1 3.3Å; R81-E128 IonicContact NH2-OE2 3.75Å |
| 82 | Q | 55.5 | Low | 50.8 | Low | 101 Ų | 101 | 109.1 Ų | 109.1 | 47% | 0.472 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.6 | -24.3 | 176.4 | -164.5 | 171.3 | -8.6 | 0 | 0 | 112.2 | F78 I79 Q80 | F78-Q82 PolarHBondContact O-N 2.93Å; I79-Q82 WeakPolarHBondContact O-CB 3.42Å; I79-Q82 PolarHBondContact O-N 3.42Å; Q80-Q82 VanDerWaalsContact C-N 3.34Å |
| 83 | S | 55.3 | Low | 49.3 | Very low | 98 Ų | 98 | 111.4 Ų | 111.4 | 69% | 0.685 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -20.3 | 168.2 | 32 | 0 | 0 | 0 | 0 | 114.7 | Q80 R81 L85 | Q80-S83 PolarHBondContact O-OG 2.84Å; R81-S83 PolarHBondContact O-N 3.29Å; S83-L85 VanDerWaalsContact C-N 3.33Å |
| 84 | D | 49.4 | Very low | 47.8 | Very low | 120 Ų | 120 | 112.3 Ų | 112.3 | 64% | 0.642 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -10.1 | 176.6 | -60.9 | -30.6 | 0 | 0 | 0 | 112.4 | R81 P86 | R81-D84 PolarHBondContact O-N 2.77Å; R81-D84 VanDerWaalsContact O-N 3.08Å; D84-P86 WeakPolarHBondContact O-CD 3.33Å |
| 85 | L | 44.5 | Very low | 46.5 | Very low | 69 Ų | 69 | 118.2 Ų | 118.2 | 36% | 0.361 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -92.3 | 109.6 | -179.8 | -77.3 | 164.1 | 0 | 0 | 0 | 110.2 | R81 S83 S87 | R81-L85 PolarHBondContact O-N 3.08Å; S83-L85 VanDerWaalsContact C-N 3.33Å; L85-S87 PolarHBondContact O-N 3.04Å |
| 86 | P | 40.3 | Very low | 45.4 | Very low | 113 Ų | 113 | 116.6 Ų | 116.6 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | trans | -63.1 | 133.4 | -178 | 25.2 | -33.9 | 0 | 0 | 0 | 111.5 | D84 T88 | D84-P86 WeakPolarHBondContact O-CD 3.33Å; P86-T88 PolarHBondContact O-N 3.29Å; P86-T88 VanDerWaalsContact O-N 3.1Å | ||
| 87 | S | 39.3 | Very low | 43.6 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | trans | -71.2 | 103.2 | -175.4 | 46.1 | 0 | 0 | 0 | 0 | 112.2 | L85 N89 | L85-S87 PolarHBondContact O-N 3.04Å; S87-N89 VanDerWaalsContact C-N 3.3Å; S87-N89 PolarHBondContact O-N 3.11Å | ||
| 88 | T | 37.4 | Very low | 41.8 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 77% | 0.767 | 67% | 0.667 | S | S | * | * | trans | -75.2 | 75.8 | 175 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | P86 | P86-T88 PolarHBondContact O-N 3.29Å; P86-T88 VanDerWaalsContact O-N 3.1Å | ||
| 89 | N | 32.7 | Very low | 40.3 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | trans | -76.5 | 125.4 | 158.5 | -85.2 | 1.7 | 0 | 0 | 0 | 108.7 | S87 | S87-N89 VanDerWaalsContact C-N 3.3Å; S87-N89 PolarHBondContact O-N 3.11Å | ||
| 90 | P | 40.9 | Very low | 38.8 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -93.2 | 108.8 | -172 | 33.8 | -32.6 | 0 | 0 | 0 | 113 | ||||
| 91 | E | 29.9 | Very low | 37.1 | Very low | 194 Ų | 194 | 125.1 Ų | 125.1 | 91% | 0.907 | 72% | 0.717 | S | S | * | * | trans | -117.8 | 83.7 | 163.7 | -72.4 | -169.2 | 144.8 | 0 | 0 | 110.2 | ||||
| 92 | T | 32 | Very low | 35.7 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | trans | -137.3 | 107 | 161.7 | 29.9 | 0 | 0 | 0 | 0 | 109.7 | I94 | T92-I94 PolarHBondContact O-N 2.86Š| ||
| 93 | D | 29.6 | Very low | 34.3 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | -65.9 | 117.1 | 175.2 | -140.4 | -30 | 0 | 0 | 0 | 109.2 | ||||
| 94 | I | 30.4 | Very low | 33.6 | Very low | 138 Ų | 138 | 131 Ų | 131 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | trans | -121.5 | 69.1 | 173.6 | -51.4 | -176.3 | 0 | 0 | 0 | 109.2 | T92 | T92-I94 PolarHBondContact O-N 2.86Š| ||
| 95 | K | 30.4 | Very low | 32.5 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | -90.2 | 84.9 | 156.8 | -78.4 | 177.3 | 178.7 | 163.2 | 0 | 109.8 | ||||
| 96 | S | 33.2 | Very low | 31.7 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -149.2 | 138.9 | 163.2 | 45 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 97 | N | 27.4 | Very low | 31.1 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -81.2 | 157.7 | 179.2 | -51.9 | -39.8 | 0 | 0 | 0 | 110.5 | ||||
| 98 | G | 27.8 | Very low | 30.7 | Very low | 73 Ų | 73 | 143.6 Ų | 143.6 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 149 | 112.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 99 | D | 29 | Very low | 30.4 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -61.8 | 150.7 | 161.8 | -53.2 | -90.1 | 0 | 0 | 0 | 110.9 | ||||
| 100 | V | 28.3 | Very low | 30.3 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | 168.1 | 129.9 | 119 | 155.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 101 | S | 26.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | 26.4 | 122.8 | 153.9 | -151.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 102 | I | 29.1 | Very low | 29.9 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -42.1 | 135.9 | 143.3 | -58.5 | 156.2 | 0 | 0 | 0 | 110.9 | ||||
| 103 | L | 27.7 | Very low | 29.9 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -153.6 | 142.9 | 150 | -101.1 | 174.1 | 0 | 0 | 0 | 109.3 | ||||
| 104 | P | 39.7 | Very low | 30.6 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | trans | -102.2 | 164.2 | -167.9 | 39.1 | -35.7 | 0 | 0 | 0 | 114.9 | ||||
| 105 | Y | 26.9 | Very low | 31.3 | Very low | 224 Ų | 224 | 141.1 Ų | 141.1 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | 29 | 113.1 | 150.1 | -83.5 | -95.6 | 0 | 0 | 0 | 119 | ||||
| 106 | N | 26.2 | Very low | 31.8 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | -160.3 | 157.4 | 125.3 | -107.7 | -50.8 | 0 | 0 | 0 | 114 | |||||
| 107 | N | 29.4 | Very low | 32 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -24.9 | 144.2 | 177.3 | -53 | -46.1 | 0 | 0 | 0 | 119.1 | ||||
| 108 | I | 30.5 | Very low | 32.6 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | -166.1 | 157.5 | 110.9 | -99.1 | 157.1 | 0 | 0 | 0 | 111.1 | |||||
| 109 | T | 31.2 | Very low | 33.4 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | -89.7 | 176.3 | -177.3 | 46.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 110 | N | 29.3 | Very low | 34.1 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | trans | 73.2 | 77.2 | 164 | -60 | -12.3 | 0 | 0 | 0 | 118.4 | ||||
| 111 | G | 31.7 | Very low | 34.8 | Very low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 72% | 0.715 | S | S | * | * | 77.3 | 73.3 | 116 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 112 | Q | 32.5 | Very low | 35.8 | Very low | 187 Ų | 187 | 133 Ų | 133 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | trans | -148.4 | 101.3 | 152.9 | -114.6 | 171.1 | 15 | 0 | 0 | 113.3 | ||||
| 113 | Q | 31.3 | Very low | 36.6 | Very low | 183 Ų | 183 | 132 Ų | 132 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | trans | 56.1 | 159.5 | 153.9 | -79.6 | -174.4 | -24.3 | 0 | 0 | 121.6 | V115 | Q113-V115 PolarHBondContact O-N 3.46Š| ||
| 114 | P | 44.5 | Very low | 37.6 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 67% | 0.669 | 68% | 0.683 | S | S | * | * | trans | -100.5 | 88.9 | -153.3 | 37.5 | -33.9 | 0 | 0 | 0 | 114.7 | ||||
| 115 | V | 44.9 | Very low | 38.2 | Very low | 115 Ų | 115 | 125 Ų | 125 | 70% | 0.697 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -95.7 | -40.7 | 164.5 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | Q113 L117 N118 | Q113-V115 PolarHBondContact O-N 3.46Å; V115-L117 VanDerWaalsContact C-N 3.3Å; V115-L117 PolarHBondContact O-N 3.3Å; V115-N118 PolarHBondContact O-N 3.3Å |
| 116 | L | 40.2 | Very low | 39.5 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 63% | 0.634 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.6 | -25.4 | -174.4 | -79.1 | 167 | 0 | 0 | 0 | 114.9 | N118 Q119 I120 | L116-N118 VanDerWaalsContact C-N 3.29Å; L116-N118 PolarHBondContact O-N 3.27Å; L116-Q119 PolarHBondContact O-N 3.49Å; L116-I120 WeakPolarHBondContact O-CG1 3.49Å; L116-I120 PolarHBondContact O-N 2.92Å |
| 117 | L | 39 | Very low | 41.1 | Very low | 107 Ų | 107 | 118.3 Ų | 118.3 | 56% | 0.56 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.3 | -32.7 | -176.8 | -162.2 | 70.7 | 0 | 0 | 0 | 112.4 | V115 N121 | V115-L117 VanDerWaalsContact C-N 3.3Å; V115-L117 PolarHBondContact O-N 3.3Å; L117-N121 WeakPolarHBondContact O-CB 3.3Å; L117-N121 PolarHBondContact O-N 3.47Å |
| 118 | N | 39.7 | Very low | 42.3 | Very low | 110 Ų | 110 | 115.6 Ų | 115.6 | 59% | 0.588 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72 | -38.6 | 176.6 | -79.1 | -5.6 | 0 | 0 | 0 | 112.2 | V115 L116 N121 Q122 | V115-N118 PolarHBondContact O-N 3.3Å; L116-N118 VanDerWaalsContact C-N 3.29Å; L116-N118 PolarHBondContact O-N 3.27Å; N118-N121 PolarHBondContact O-N 3.17Å; N118-Q122 WeakPolarHBondContact O-CG 3.34Å; N118-Q122 PolarHBondContact O-N 3.34Å |
| 119 | Q | 43.9 | Very low | 43.5 | Very low | 105 Ų | 105 | 113 Ų | 113 | 49% | 0.491 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.5 | -39.8 | 174.3 | -75.6 | -178.6 | -29.1 | 0 | 0 | 111.7 | L116 N121 Q122 H123 | L116-Q119 PolarHBondContact O-N 3.49Å; Q119-N121 VanDerWaalsContact C-N 3.35Å; Q119-N121 PolarHBondContact O-N 2.85Å; Q119-Q122 PolarHBondContact O-N 2.91Å; Q119-H123 PolarHBondContact O-CD2 3.4Å; Q119-H123 VanDerWaalsContact O-CD2 3.28Å; Q119-H123 PolarHBondContact O-N 3.03Å |
| 120 | I | 44.3 | Very low | 45 | Very low | 104 Ų | 104 | 111.4 Ų | 111.4 | 53% | 0.533 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.3 | -41.9 | 174.4 | -67.8 | 167.1 | 0 | 0 | 0 | 110.8 | L116 H123 S124 | L116-I120 WeakPolarHBondContact O-CG1 3.49Å; L116-I120 PolarHBondContact O-N 2.92Å; I120-H123 PolarHBondContact O-N 3.49Å; I120-S124 VanDerWaalsContact O-CB 3.25Å; I120-S124 WeakPolarHBondContact O-CB 3.49Å; I120-S124 PolarHBondContact O-N 3Å |
| 121 | N | 43.4 | Very low | 46.7 | Very low | 94 Ų | 94 | 111.1 Ų | 111.1 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.5 | -36 | 175.3 | -80.6 | -16 | 0 | 0 | 0 | 113.3 | L117 N118 Q119 S124 S125 | L117-N121 WeakPolarHBondContact O-CB 3.3Å; L117-N121 PolarHBondContact O-N 3.47Å; N118-N121 PolarHBondContact O-N 3.17Å; Q119-N121 VanDerWaalsContact C-N 3.35Å; Q119-N121 PolarHBondContact O-N 2.85Å; N121-S124 PolarHBondContact O-N 3.43Å; N121-S125 PolarHBondContact O-N 2.88Å; N121-S125 PolarHBondContact O-OG 3.46Å |
| 122 | Q | 46 | Very low | 48 | Very low | 121 Ų | 121 | 107.6 Ų | 107.6 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.3 | -41.9 | 175 | -75.6 | 177.2 | -8.7 | 0 | 0 | 112.4 | N118 Q119 S125 Y126 | N118-Q122 WeakPolarHBondContact O-CG 3.34Å; N118-Q122 PolarHBondContact O-N 3.34Å; Q119-Q122 PolarHBondContact O-N 2.91Å; Q122-S125 PolarHBondContact O-OG 2.85Å; Q122-Y126 WeakPolarHBondContact O-CB 3.22Å; Q122-Y126 PolarHBondContact O-N 3.23Å |
| 123 | H | 46.6 | Very low | 49.6 | Very low | 136 Ų | 136 | 102.4 Ų | 102.4 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66 | -38.7 | 172.7 | -79.6 | -67.3 | 0 | 0 | 0 | 112.1 | Q119 I120 Y126 V127 | Q119-H123 PolarHBondContact O-CD2 3.4Å; Q119-H123 VanDerWaalsContact O-CD2 3.28Å; Q119-H123 PolarHBondContact O-N 3.03Å; I120-H123 PolarHBondContact O-N 3.49Å; H123-Y126 PolarHBondContact O-N 2.9Å; H123-V127 WeakPolarHBondContact O-CB 3.5Å; H123-V127 VanDerWaalsContact O-CG2 3.32Å; H123-V127 WeakPolarHBondContact O-CG2 3.33Å; H123-V127 PolarHBondContact O-N 2.89Å |
| 124 | S | 48.9 | Very low | 51.1 | Low | 69 Ų | 69 | 99.6 Ų | 99.6 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 175.3 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | I120 N121 Y126 V127 E128 | I120-S124 VanDerWaalsContact O-CB 3.25Å; I120-S124 WeakPolarHBondContact O-CB 3.49Å; I120-S124 PolarHBondContact O-N 3Å; N121-S124 PolarHBondContact O-N 3.43Å; S124-Y126 PolarHBondContact O-N 3.44Å; S124-V127 PolarHBondContact O-N 3.29Å; S124-E128 VanDerWaalsContact O-CB 3.3Å; S124-E128 WeakPolarHBondContact O-CB 3.47Å; S124-E128 PolarHBondContact O-N 3.34Å |
| 125 | S | 52.3 | Low | 51.8 | Low | 43 Ų | 43 | 98 Ų | 98 | 30% | 0.301 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.8 | -31.4 | -179.6 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | N121 Q122 R129 | N121-S125 PolarHBondContact O-N 2.88Å; N121-S125 PolarHBondContact O-OG 3.46Å; Q122-S125 PolarHBondContact O-OG 2.85Å; S125-R129 WeakPolarHBondContact O-CB 3.47Å; S125-R129 PolarHBondContact O-N 3.41Å |
| 126 | Y | 54.8 | Low | 52.5 | Low | 137 Ų | 137 | 93.5 Ų | 93.5 | 54% | 0.537 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.5 | -48.6 | 172.2 | -173.1 | -81 | 0 | 0 | 0 | 111.7 | Q122 H123 S124 E128 R129 D130 | Q122-Y126 WeakPolarHBondContact O-CB 3.22Å; Q122-Y126 PolarHBondContact O-N 3.23Å; H123-Y126 PolarHBondContact O-N 2.9Å; S124-Y126 PolarHBondContact O-N 3.44Å; Y126-E128 PolarHBondContact O-N 3.14Å; Y126-R129 WeakPolarHBondContact O-CB 3.27Å; Y126-R129 PolarHBondContact O-N 3.28Å; Y126-D130 WeakPolarHBondContact CE1-OD2 3.45Å; Y126-D130 PolarHBondContact O-N 2.63Å; Y126-D130 PolarHBondContact OH-OD2 2.92Å |
| 127 | V | 60 | Low | 53.7 | Low | 96 Ų | 96 | 94.4 Ų | 94.4 | 58% | 0.582 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.8 | -40 | 178.2 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | H123 S124 R129 D130 W131 | H123-V127 WeakPolarHBondContact O-CB 3.5Å; H123-V127 VanDerWaalsContact O-CG2 3.32Å; H123-V127 WeakPolarHBondContact O-CG2 3.33Å; H123-V127 PolarHBondContact O-N 2.89Å; S124-V127 PolarHBondContact O-N 3.29Å; V127-R129 VanDerWaalsContact C-N 3.34Å; V127-D130 PolarHBondContact O-N 3.39Å; V127-W131 VanDerWaalsContact O-CB 3.26Å; V127-W131 WeakPolarHBondContact O-CB 3.3Å; V127-W131 PolarHBondContact O-N 3.24Å |
| 128 | E | 54.2 | Low | 55 | Low | 79 Ų | 79 | 96.2 Ų | 96.2 | 37% | 0.369 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 174.2 | -167.2 | 175.8 | -159.3 | 0 | 0 | 111 | R81 S124 Y126 W131 V132 | R81-E128 IonicContact CZ-OE1 3.57Å; R81-E128 IonicContact CZ-OE2 3.9Å; R81-E128 IonicContact NH1-OE1 2.7Å; R81-E128 PolarHBondContact NH1-OE1 2.96Å; R81-E128 IonicContact NH1-OE2 3.36Å; R81-E128 PolarHBondContact NH1-OE2 2.93Å; R81-E128 IonicContact NH2-OE1 3.5Å; R81-E128 PolarHBondContact NH2-OE1 3.3Å; R81-E128 IonicContact NH2-OE2 3.75Å; S124-E128 VanDerWaalsContact O-CB 3.3Å; S124-E128 WeakPolarHBondContact O-CB 3.47Å; S124-E128 PolarHBondContact O-N 3.34Å; Y126-E128 PolarHBondContact O-N 3.14Å; E128-W131 PolarHBondContact O-N 3.03Å; E128-V132 VanDerWaalsContact O-CB 3.26Å; E128-V132 WeakPolarHBondContact O-CB 3.47Å; E128-V132 WeakPolarHBondContact O-CG2 3.45Å; E128-V132 PolarHBondContact O-N 3.36Å |
| 129 | R | 56.1 | Low | 55.7 | Low | 114 Ų | 114 | 93.1 Ų | 93.1 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.4 | -47.6 | 176.1 | -174.9 | 179 | -171 | 138.9 | 1.3 | 112.7 | S125 Y126 V127 V132 M133 | S125-R129 WeakPolarHBondContact O-CB 3.47Å; S125-R129 PolarHBondContact O-N 3.41Å; Y126-R129 WeakPolarHBondContact O-CB 3.27Å; Y126-R129 PolarHBondContact O-N 3.28Å; V127-R129 VanDerWaalsContact C-N 3.34Å; R129-V132 PolarHBondContact O-N 3.41Å; R129-M133 WeakPolarHBondContact O-CB 3.26Å; R129-M133 VanDerWaalsContact O-CG 3.29Å; R129-M133 WeakPolarHBondContact O-CG 3.07Å; R129-M133 PolarHBondContact O-N 2.95Å |
| 130 | D | 61.8 | Low | 56.5 | Low | 80 Ų | 80 | 93.6 Ų | 93.6 | 43% | 0.428 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68 | -36.8 | 178.7 | -91 | -5.5 | 0 | 0 | 0 | 111.9 | Y126 V127 M133 M134 | Y126-D130 WeakPolarHBondContact CE1-OD2 3.45Å; Y126-D130 PolarHBondContact O-N 2.63Å; Y126-D130 PolarHBondContact OH-OD2 2.92Å; V127-D130 PolarHBondContact O-N 3.39Å; D130-M133 PolarHBondContact O-N 3.11Å; D130-M134 WeakPolarHBondContact O-CB 3.45Å; D130-M134 PolarHBondContact O-N 2.87Å |
| 131 | W | 65.5 | Low | 57.6 | Low | 151 Ų | 151 | 91 Ų | 91 | 57% | 0.572 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.8 | -46.1 | 172.9 | -174.3 | 88.9 | 0 | 0 | 0 | 111.9 | V127 E128 M134 H135 | V127-W131 VanDerWaalsContact O-CB 3.26Å; V127-W131 WeakPolarHBondContact O-CB 3.3Å; V127-W131 PolarHBondContact O-N 3.24Å; E128-W131 PolarHBondContact O-N 3.03Å; W131-M134 PolarHBondContact O-N 3.3Å; W131-H135 AromaticContact CD2-CD2 3.9Å; W131-H135 AromaticContact CE2-CD2 3.56Å; W131-H135 AromaticContact CE2-NE2 3.59Å; W131-H135 AromaticContact CZ2-CD2 3.71Å; W131-H135 AromaticContact CZ2-CE1 3.9Å; W131-H135 AromaticContact CZ2-NE2 3.44Å; W131-H135 WeakPolarHBondContact CZ2-NE2 3.23Å; W131-H135 AromaticContact NE1-CD2 3.9Å; W131-H135 AromaticContact NE1-NE2 3.81Å; W131-H135 WeakPolarHBondContact O-CB 3.46Å; W131-H135 PolarHBondContact O-CD2 2.75Å; W131-H135 PolarHBondContact O-N 3.31Å |
| 132 | V | 58.9 | Low | 58.5 | Low | 5 Ų | 5 | 90.8 Ų | 90.8 | 3% | 0.03 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.3 | 163.3 | 0 | 0 | 0 | 0 | 111.5 | F74 W77 F78 E128 R129 H135 A136 | F74-V132 HydrophobicContact CE1-CG1 3.8Å; F74-V132 HydrophobicContact CZ-CB 4.49Å; F74-V132 HydrophobicContact CZ-CG1 3.84Å; W77-V132 HydrophobicContact CH2-CG2 4.02Å; W77-V132 HydrophobicContact CZ3-CG1 4.17Å; W77-V132 HydrophobicContact CZ3-CG2 3.85Å; F78-V132 HydrophobicContact CD2-CG1 3.66Å; F78-V132 HydrophobicContact CE2-CG1 3.94Å; E128-V132 VanDerWaalsContact O-CB 3.26Å; E128-V132 WeakPolarHBondContact O-CB 3.47Å; E128-V132 WeakPolarHBondContact O-CG2 3.45Å; E128-V132 PolarHBondContact O-N 3.36Å; R129-V132 PolarHBondContact O-N 3.41Å; V132-H135 PolarHBondContact O-N 3.46Å; V132-A136 WeakPolarHBondContact O-CB 3.38Å; V132-A136 PolarHBondContact O-N 3.18Å |
| 133 | M | 65.5 | Low | 59 | Low | 77 Ų | 77 | 87.4 Ų | 87.4 | 38% | 0.379 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 176.7 | -74.4 | -62.4 | -63.1 | 0 | 0 | 112.6 | F78 R129 D130 A136 K137 | F78-M133 HydrophobicContact CE2-SD 4.47Å; F78-M133 HydrophobicContact CZ-SD 4.28Å; R129-M133 WeakPolarHBondContact O-CB 3.26Å; R129-M133 VanDerWaalsContact O-CG 3.29Å; R129-M133 WeakPolarHBondContact O-CG 3.07Å; R129-M133 PolarHBondContact O-N 2.95Å; D130-M133 PolarHBondContact O-N 3.11Å; M133-A136 PolarHBondContact O-N 2.8Å; M133-K137 WeakPolarHBondContact O-CG 3.38Å; M133-K137 PolarHBondContact O-N 3.11Å |
| 134 | M | 63.1 | Low | 59.8 | Low | 124 Ų | 124 | 84.8 Ų | 84.8 | 61% | 0.611 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.9 | -38.7 | 173.4 | -171.3 | -176 | -79 | 0 | 0 | 111.1 | D130 W131 R138 | D130-M134 WeakPolarHBondContact O-CB 3.45Å; D130-M134 PolarHBondContact O-N 2.87Å; W131-M134 PolarHBondContact O-N 3.3Å; M134-R138 WeakPolarHBondContact O-CB 3.44Å; M134-R138 PolarHBondContact O-N 3.44Å |
| 135 | H | 60 | Low | 60.5 | Low | 70 Ų | 70 | 90.5 Ų | 90.5 | 32% | 0.324 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 174.1 | -94.3 | -99.9 | 0 | 0 | 0 | 112.7 | F74 W131 V132 R138 T139 | F74-H135 HydrophobicContact CZ-CB 4.4Å; W131-H135 AromaticContact CD2-CD2 3.9Å; W131-H135 AromaticContact CE2-CD2 3.56Å; W131-H135 AromaticContact CE2-NE2 3.59Å; W131-H135 AromaticContact CZ2-CD2 3.71Å; W131-H135 AromaticContact CZ2-CE1 3.9Å; W131-H135 AromaticContact CZ2-NE2 3.44Å; W131-H135 WeakPolarHBondContact CZ2-NE2 3.23Å; W131-H135 AromaticContact NE1-CD2 3.9Å; W131-H135 AromaticContact NE1-NE2 3.81Å; W131-H135 WeakPolarHBondContact O-CB 3.46Å; W131-H135 PolarHBondContact O-CD2 2.75Å; W131-H135 PolarHBondContact O-N 3.31Å; V132-H135 PolarHBondContact O-N 3.46Å; H135-R138 WeakPolarHBondContact O-CB 3.07Å; H135-R138 PolarHBondContact O-N 2.92Å; H135-T139 PolarHBondContact O-N 3.17Å; H135-T139 PolarHBondContact O-OG1 3.28Å |
| 136 | A | 58.5 | Low | 60.5 | Low | 21 Ų | 21 | 90.2 Ų | 90.2 | 17% | 0.174 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.9 | -50.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | F74 V132 M133 R138 T139 E140 | F74-A136 HydrophobicContact CE1-CB 4.07Å; V132-A136 WeakPolarHBondContact O-CB 3.38Å; V132-A136 PolarHBondContact O-N 3.18Å; M133-A136 PolarHBondContact O-N 2.8Å; A136-R138 PolarHBondContact O-N 3.08Å; A136-T139 PolarHBondContact O-N 3.06Å; A136-T139 VanDerWaalsContact O-N 3.15Å; A136-T139 PolarHBondContact O-OG1 3Å; A136-E140 WeakPolarHBondContact O-CG 3.49Å; A136-E140 PolarHBondContact O-N 3.15Å |
| 137 | K | 65.7 | Low | 60.7 | Low | 139 Ų | 139 | 90.8 Ų | 90.8 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59.2 | -33.4 | 175 | -72.5 | 176.9 | 177.8 | 177.8 | 0 | 112 | M133 S141 | M133-K137 WeakPolarHBondContact O-CG 3.38Å; M133-K137 PolarHBondContact O-N 3.11Å; K137-S141 WeakPolarHBondContact O-CB 3.42Å; K137-S141 PolarHBondContact O-N 3.49Å |
| 138 | R | 65.1 | Low | 60.9 | Low | 146 Ų | 146 | 91.4 Ų | 91.4 | 55% | 0.551 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.8 | -45.2 | 176.2 | -156.1 | -177.6 | -147.4 | 97.8 | -0.8 | 111.6 | M134 H135 A136 S141 Q142 | M134-R138 WeakPolarHBondContact O-CB 3.44Å; M134-R138 PolarHBondContact O-N 3.44Å; H135-R138 WeakPolarHBondContact O-CB 3.07Å; H135-R138 PolarHBondContact O-N 2.92Å; A136-R138 PolarHBondContact O-N 3.08Å; R138-S141 PolarHBondContact O-N 3.28Å; R138-S141 PolarHBondContact O-OG 3.46Å; R138-Q142 WeakPolarHBondContact O-CG 3.41Å; R138-Q142 PolarHBondContact O-N 3.47Å; R138-Q142 VanDerWaalsContact O-N 3.13Å |
| 139 | T | 56.3 | Low | 60.8 | Low | 44 Ų | 44 | 90.7 Ų | 90.7 | 27% | 0.27 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.6 | -37.5 | 178.2 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | H135 A136 Q142 L143 | H135-T139 PolarHBondContact O-N 3.17Å; H135-T139 PolarHBondContact O-OG1 3.28Å; A136-T139 PolarHBondContact O-N 3.06Å; A136-T139 VanDerWaalsContact O-N 3.15Å; A136-T139 PolarHBondContact O-OG1 3Å; T139-Q142 WeakPolarHBondContact O-CB 3.4Å; T139-Q142 PolarHBondContact O-N 3.46Å; T139-L143 PolarHBondContact O-N 2.85Å |
| 140 | E | 59.9 | Low | 60.5 | Low | 115 Ų | 115 | 87 Ų | 87 | 54% | 0.537 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 169.7 | -72.7 | 179.2 | 150.2 | 0 | 0 | 111.4 | A136 Q142 L143 D144 | A136-E140 WeakPolarHBondContact O-CG 3.49Å; A136-E140 PolarHBondContact O-N 3.15Å; E140-Q142 PolarHBondContact O-N 2.98Å; E140-L143 WeakPolarHBondContact O-CA 3.34Å; E140-L143 WeakPolarHBondContact O-CB 3.5Å; E140-L143 PolarHBondContact O-N 3.25Å; E140-D144 PolarHBondContact O-N 2.88Å |
| 141 | S | 66.9 | Low | 60.2 | Low | 49 Ų | 49 | 87.4 Ų | 87.4 | 34% | 0.343 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.1 | -25.7 | 177.5 | 81.2 | 0 | 0 | 0 | 0 | 113.7 | K137 R138 R145 | K137-S141 WeakPolarHBondContact O-CB 3.42Å; K137-S141 PolarHBondContact O-N 3.49Å; R138-S141 PolarHBondContact O-N 3.28Å; R138-S141 PolarHBondContact O-OG 3.46Å; S141-R145 VanDerWaalsContact O-CD 3.3Å; S141-R145 WeakPolarHBondContact O-CD 3.3Å; S141-R145 WeakPolarHBondContact O-CG 3.36Å; S141-R145 PolarHBondContact O-N 2.8Å |
| 142 | Q | 62.9 | Low | 59.8 | Low | 91 Ų | 91 | 82.1 Ų | 82.1 | 43% | 0.425 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -76.9 | -43 | 170.4 | -72.4 | 177.9 | -16.9 | 0 | 0 | 110.9 | R138 T139 E140 D144 R145 L146 | R138-Q142 WeakPolarHBondContact O-CG 3.41Å; R138-Q142 PolarHBondContact O-N 3.47Å; R138-Q142 VanDerWaalsContact O-N 3.13Å; T139-Q142 WeakPolarHBondContact O-CB 3.4Å; T139-Q142 PolarHBondContact O-N 3.46Å; E140-Q142 PolarHBondContact O-N 2.98Å; Q142-D144 VanDerWaalsContact C-N 3.33Å; Q142-D144 PolarHBondContact O-N 3.46Å; Q142-R145 PolarHBondContact O-N 2.69Å; Q142-L146 HydrophobicContact CB-CD1 4.5Å; Q142-L146 WeakPolarHBondContact O-CB 3.19Å; Q142-L146 VanDerWaalsContact O-CD1 3.25Å; Q142-L146 WeakPolarHBondContact O-CD1 3.46Å; Q142-L146 PolarHBondContact O-N 2.75Å |
| 143 | L | 55.7 | Low | 59.1 | Low | 49 Ų | 49 | 84.6 Ų | 84.6 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.3 | -44 | 178 | -152.1 | 84.1 | 0 | 0 | 0 | 111.7 | L67 T139 E140 L146 R147 | L67-L143 HydrophobicContact CB-CD1 3.88Å; T139-L143 PolarHBondContact O-N 2.85Å; E140-L143 WeakPolarHBondContact O-CA 3.34Å; E140-L143 WeakPolarHBondContact O-CB 3.5Å; E140-L143 PolarHBondContact O-N 3.25Å; L143-L146 PolarHBondContact O-N 2.96Å; L143-R147 WeakPolarHBondContact O-CB 3.47Å; L143-R147 PolarHBondContact O-N 3.18Å |
| 144 | D | 64.1 | Low | 58.4 | Low | 81 Ų | 81 | 86.2 Ų | 86.2 | 43% | 0.433 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69 | -37.3 | 176.8 | -86.4 | -32.7 | 0 | 0 | 0 | 113.1 | E140 Q142 L146 R147 N148 | E140-D144 PolarHBondContact O-N 2.88Å; Q142-D144 VanDerWaalsContact C-N 3.33Å; Q142-D144 PolarHBondContact O-N 3.46Å; D144-L146 VanDerWaalsContact C-N 3.3Å; D144-L146 PolarHBondContact O-N 3.13Å; D144-R147 PolarHBondContact O-N 2.99Å; D144-R147 IonicContact OD1-NH1 3.57Å; D144-N148 WeakPolarHBondContact O-CB 3.45Å; D144-N148 VanDerWaalsContact O-CG 3.31Å; D144-N148 PolarHBondContact O-N 2.57Å; D144-N148 PolarHBondContact O-ND2 3.08Å; D144-N148 VanDerWaalsContact O-ND2 3.1Å |
| 145 | R | 62.6 | Low | 58.2 | Low | 190 Ų | 190 | 83.1 Ų | 83.1 | 72% | 0.717 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | 172.3 | -72.7 | 169.9 | -175.2 | -161.1 | 1.2 | 111.2 | S141 Q142 S149 | S141-R145 VanDerWaalsContact O-CD 3.3Å; S141-R145 WeakPolarHBondContact O-CD 3.3Å; S141-R145 WeakPolarHBondContact O-CG 3.36Å; S141-R145 PolarHBondContact O-N 2.8Å; Q142-R145 PolarHBondContact O-N 2.69Å; R145-S149 WeakPolarHBondContact O-CB 3.28Å; R145-S149 PolarHBondContact O-N 3.01Å |
| 146 | L | 53.6 | Low | 58.1 | Low | 36 Ų | 36 | 86.8 Ų | 86.8 | 19% | 0.188 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -69.4 | -41 | 175.2 | -86 | 132.8 | 0 | 0 | 0 | 112.4 | L67 Q142 L143 D144 N148 S149 V150 | L67-L146 HydrophobicContact CD1-CD1 3.49Å; L67-L146 VanDerWaalsContact CD1-CD1 3.49Å; L67-L146 HydrophobicContact CD1-CD2 4.26Å; L67-L146 HydrophobicContact CD1-CG 4.41Å; Q142-L146 HydrophobicContact CB-CD1 4.5Å; Q142-L146 WeakPolarHBondContact O-CB 3.19Å; Q142-L146 VanDerWaalsContact O-CD1 3.25Å; Q142-L146 WeakPolarHBondContact O-CD1 3.46Å; Q142-L146 PolarHBondContact O-N 2.75Å; L143-L146 PolarHBondContact O-N 2.96Å; D144-L146 VanDerWaalsContact C-N 3.3Å; D144-L146 PolarHBondContact O-N 3.13Å; L146-N148 PolarHBondContact O-N 3.01Å; L146-S149 CarbonylContact O-C 3.54Å; L146-S149 WeakPolarHBondContact O-CB 3.44Å; L146-S149 PolarHBondContact O-N 3.01Å; L146-S149 VanDerWaalsContact O-N 3.14Å; L146-V150 WeakPolarHBondContact O-CG2 3.35Å; L146-V150 PolarHBondContact O-N 3.33Å |
| 147 | R | 58.9 | Low | 57.6 | Low | 149 Ų | 149 | 88.3 Ų | 88.3 | 56% | 0.562 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -57.5 | -47.3 | 172.8 | -173.2 | -177.7 | -175.2 | -175.3 | 3 | 111.4 | L143 D144 S149 V150 V151 | L143-R147 WeakPolarHBondContact O-CB 3.47Å; L143-R147 PolarHBondContact O-N 3.18Å; D144-R147 PolarHBondContact O-N 2.99Å; D144-R147 IonicContact OD1-NH1 3.57Å; R147-S149 VanDerWaalsContact C-N 3.34Å; R147-S149 PolarHBondContact O-N 3.29Å; R147-V150 PolarHBondContact O-N 3.31Å; R147-V151 WeakPolarHBondContact O-CG2 3.46Å; R147-V151 PolarHBondContact O-N 2.94Å |
| 148 | N | 64.5 | Low | 57.2 | Low | 110 Ų | 110 | 86.5 Ų | 86.5 | 59% | 0.588 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64 | -37.9 | 175.4 | -71.9 | -35.4 | 0 | 0 | 0 | 112.1 | D144 L146 V151 G152 | D144-N148 WeakPolarHBondContact O-CB 3.45Å; D144-N148 VanDerWaalsContact O-CG 3.31Å; D144-N148 PolarHBondContact O-N 2.57Å; D144-N148 PolarHBondContact O-ND2 3.08Å; D144-N148 VanDerWaalsContact O-ND2 3.1Å; L146-N148 PolarHBondContact O-N 3.01Å; N148-V151 PolarHBondContact O-N 3.2Å; N148-G152 PolarHBondContact O-N 2.68Å |
| 149 | S | 52.1 | Low | 57 | Low | 63 Ų | 63 | 81.3 Ų | 81.3 | 44% | 0.441 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 174.1 | -165.8 | 0 | 0 | 0 | 0 | 112.6 | R145 L146 R147 G152 M153 | R145-S149 WeakPolarHBondContact O-CB 3.28Å; R145-S149 PolarHBondContact O-N 3.01Å; L146-S149 CarbonylContact O-C 3.54Å; L146-S149 WeakPolarHBondContact O-CB 3.44Å; L146-S149 PolarHBondContact O-N 3.01Å; L146-S149 VanDerWaalsContact O-N 3.14Å; R147-S149 VanDerWaalsContact C-N 3.34Å; R147-S149 PolarHBondContact O-N 3.29Å; S149-G152 PolarHBondContact O-N 3.4Å; S149-M153 VanDerWaalsContact O-CE 3.29Å; S149-M153 WeakPolarHBondContact O-CE 3.33Å; S149-M153 PolarHBondContact O-N 3.04Å; S149-M153 WeakPolarHBondContact OG-CE 3.46Å |
| 150 | V | 48.3 | Very low | 56.9 | Low | 38 Ų | 38 | 81.2 Ų | 81.2 | 23% | 0.23 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.3 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | V60 L146 R147 M153 R154 | V60-V150 HydrophobicContact CG1-CG2 3.63Å; L146-V150 WeakPolarHBondContact O-CG2 3.35Å; L146-V150 PolarHBondContact O-N 3.33Å; R147-V150 PolarHBondContact O-N 3.31Å; V150-M153 PolarHBondContact O-N 2.96Å; V150-R154 WeakPolarHBondContact O-CB 3.21Å; V150-R154 PolarHBondContact O-N 2.86Å |
| 151 | V | 56.6 | Low | 56.8 | Low | 88 Ų | 88 | 81 Ų | 81 | 53% | 0.533 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | R147 N148 R154 A155 | R147-V151 WeakPolarHBondContact O-CG2 3.46Å; R147-V151 PolarHBondContact O-N 2.94Å; N148-V151 PolarHBondContact O-N 3.2Å; V151-R154 PolarHBondContact O-N 3.43Å; V151-A155 PolarHBondContact O-N 3.22Å |
| 152 | G | 55.5 | Low | 56.6 | Low | 39 Ų | 39 | 86.2 Ų | 86.2 | 40% | 0.402 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N148 S149 R154 A155 Q156 | N148-G152 PolarHBondContact O-N 2.68Å; S149-G152 PolarHBondContact O-N 3.4Å; G152-R154 PolarHBondContact O-N 2.91Å; G152-A155 PolarHBondContact O-N 3.28Å; G152-Q156 PolarHBondContact O-N 3.49Å |
| 153 | M | 45.5 | Very low | 56.7 | Low | 58 Ų | 58 | 86.7 Ų | 86.7 | 29% | 0.286 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 175.4 | -79.2 | 179 | -81.6 | 0 | 0 | 112.3 | V60 S149 V150 A155 Q156 L157 | V60-M153 HydrophobicContact CB-CE 4.37Å; V60-M153 HydrophobicContact CG1-CE 3.7Å; V60-M153 HydrophobicContact CG2-CE 3.85Å; V60-M153 HydrophobicContact CG2-SD 3.89Å; S149-M153 VanDerWaalsContact O-CE 3.29Å; S149-M153 WeakPolarHBondContact O-CE 3.33Å; S149-M153 PolarHBondContact O-N 3.04Å; S149-M153 WeakPolarHBondContact OG-CE 3.46Å; V150-M153 PolarHBondContact O-N 2.96Å; M153-A155 VanDerWaalsContact C-N 3.32Å; M153-A155 PolarHBondContact O-N 3.5Å; M153-Q156 PolarHBondContact O-N 2.93Å; M153-L157 WeakPolarHBondContact O-CB 3.41Å; M153-L157 WeakPolarHBondContact O-CD1 3.46Å; M153-L157 WeakPolarHBondContact O-CG 3.29Å; M153-L157 PolarHBondContact O-N 3.18Å |
| 154 | R | 50.6 | Low | 57.1 | Low | 111 Ų | 111 | 90.3 Ų | 90.3 | 42% | 0.419 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 174.6 | -169.6 | -173.9 | -163.5 | 158.1 | 13.9 | 111.5 | D45 V150 V151 G152 Q158 | D45-R154 IonicContact OD1-CZ 3.19Å; D45-R154 IonicContact OD1-NH1 3.72Å; D45-R154 PolarHBondContact OD1-NH1 3.49Å; D45-R154 IonicContact OD1-NH2 2.79Å; D45-R154 PolarHBondContact OD1-NH2 3.3Å; D45-R154 IonicContact OD2-CZ 3.66Å; D45-R154 IonicContact OD2-NH1 2.7Å; D45-R154 PolarHBondContact OD2-NH1 2.96Å; D45-R154 IonicContact OD2-NH2 3.6Å; V150-R154 WeakPolarHBondContact O-CB 3.21Å; V150-R154 PolarHBondContact O-N 2.86Å; V151-R154 PolarHBondContact O-N 3.43Å; G152-R154 PolarHBondContact O-N 2.91Å; R154-Q158 WeakPolarHBondContact O-CB 3.24Å; R154-Q158 WeakPolarHBondContact O-CG 3.32Å; R154-Q158 PolarHBondContact O-N 3.25Å |
| 155 | A | 59.3 | Low | 57.4 | Low | 58 Ų | 58 | 92.3 Ų | 92.3 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V151 G152 M153 L157 Q158 A159 | V151-A155 PolarHBondContact O-N 3.22Å; G152-A155 PolarHBondContact O-N 3.28Å; M153-A155 VanDerWaalsContact C-N 3.32Å; M153-A155 PolarHBondContact O-N 3.5Å; A155-L157 PolarHBondContact O-N 3.45Å; A155-Q158 PolarHBondContact O-N 2.93Å; A155-A159 PolarHBondContact O-N 3.02Å |
| 156 | Q | 57.6 | Low | 57.9 | Low | 148 Ų | 148 | 87.9 Ų | 87.9 | 69% | 0.692 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.6 | -39.1 | 178.2 | -166.5 | 177.8 | 16.7 | 0 | 0 | 112.4 | G152 M153 A159 G160 | G152-Q156 PolarHBondContact O-N 3.49Å; M153-Q156 PolarHBondContact O-N 2.93Å; Q156-A159 PolarHBondContact O-N 2.83Å; Q156-G160 PolarHBondContact O-N 3.5Å |
| 157 | L | 48.1 | Very low | 58.5 | Low | 52 Ų | 52 | 90 Ų | 90 | 27% | 0.272 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 174.7 | -69.9 | 161.3 | 0 | 0 | 0 | 112 | C57 M153 A155 A159 G160 L161 | C57-L157 WeakPolarHBondContact SG-CD1 3.44Å; M153-L157 WeakPolarHBondContact O-CB 3.41Å; M153-L157 WeakPolarHBondContact O-CD1 3.46Å; M153-L157 WeakPolarHBondContact O-CG 3.29Å; M153-L157 PolarHBondContact O-N 3.18Å; A155-L157 PolarHBondContact O-N 3.45Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-G160 PolarHBondContact O-N 3.1Å; L157-L161 WeakPolarHBondContact O-CB 3.31Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.47Å; L157-L161 PolarHBondContact O-N 3.45Å |
| 158 | Q | 57.4 | Low | 59.2 | Low | 101 Ų | 101 | 86.8 Ų | 86.8 | 47% | 0.472 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.7 | -34.7 | 174.2 | -75.5 | -177.9 | 0.5 | 0 | 0 | 112.4 | R154 A155 R162 | R154-Q158 WeakPolarHBondContact O-CB 3.24Å; R154-Q158 WeakPolarHBondContact O-CG 3.32Å; R154-Q158 PolarHBondContact O-N 3.25Å; A155-Q158 PolarHBondContact O-N 2.93Å; Q158-R162 WeakPolarHBondContact O-CD 3.35Å; Q158-R162 VanDerWaalsContact O-CG 3.24Å; Q158-R162 WeakPolarHBondContact O-CG 3.17Å; Q158-R162 PolarHBondContact O-N 2.97Å; Q158-R162 VanDerWaalsContact O-N 3.1Å |
| 159 | A | 61.2 | Low | 60 | Low | 37 Ų | 37 | 85 Ų | 85 | 31% | 0.306 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65 | -52.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A155 Q156 L157 L161 R162 H163 | A155-A159 PolarHBondContact O-N 3.02Å; Q156-A159 PolarHBondContact O-N 2.83Å; L157-A159 VanDerWaalsContact C-N 3.34Å; A159-L161 VanDerWaalsContact C-N 3.27Å; A159-L161 PolarHBondContact O-N 3.24Å; A159-R162 WeakPolarHBondContact O-CA 3.42Å; A159-R162 WeakPolarHBondContact O-CB 3.46Å; A159-R162 PolarHBondContact O-N 3.46Å; A159-H163 PolarHBondContact O-CD2 3Å; A159-H163 PolarHBondContact O-N 2.93Å |
| 160 | G | 53 | Low | 61.1 | Low | 43 Ų | 43 | 87.5 Ų | 87.5 | 44% | 0.443 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59 | -34 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q156 L157 K164 | Q156-G160 PolarHBondContact O-N 3.5Å; L157-G160 PolarHBondContact O-N 3.1Å; G160-K164 WeakPolarHBondContact O-CB 3.32Å; G160-K164 PolarHBondContact O-N 3.49Å |
| 161 | L | 57.9 | Low | 62.6 | Low | 111 Ų | 111 | 93.3 Ų | 93.3 | 58% | 0.581 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.2 | -34.7 | 173.3 | -73.7 | 171.1 | 0 | 0 | 0 | 113.1 | L157 A159 L165 | L157-L161 WeakPolarHBondContact O-CB 3.31Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.47Å; L157-L161 PolarHBondContact O-N 3.45Å; A159-L161 VanDerWaalsContact C-N 3.27Å; A159-L161 PolarHBondContact O-N 3.24Å; L161-L165 WeakPolarHBondContact O-CG 3.48Å; L161-L165 PolarHBondContact O-N 3.44Å; L161-L165 VanDerWaalsContact O-N 3.08Å |
| 162 | R | 62.8 | Low | 63.7 | Low | 158 Ų | 158 | 95.7 Ų | 95.7 | 60% | 0.596 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.5 | -51.2 | 171.7 | -73.6 | 163 | -178.6 | -93.1 | 1.6 | 110.6 | Q158 A159 K164 L165 E166 | Q158-R162 WeakPolarHBondContact O-CD 3.35Å; Q158-R162 VanDerWaalsContact O-CG 3.24Å; Q158-R162 WeakPolarHBondContact O-CG 3.17Å; Q158-R162 PolarHBondContact O-N 2.97Å; Q158-R162 VanDerWaalsContact O-N 3.1Å; A159-R162 WeakPolarHBondContact O-CA 3.42Å; A159-R162 WeakPolarHBondContact O-CB 3.46Å; A159-R162 PolarHBondContact O-N 3.46Å; R162-K164 VanDerWaalsContact C-N 3.28Å; R162-K164 PolarHBondContact O-N 3.44Å; R162-L165 CarbonylContact O-C 3.59Å; R162-L165 WeakPolarHBondContact O-CA 3.34Å; R162-L165 WeakPolarHBondContact O-CB 3.12Å; R162-L165 PolarHBondContact O-N 2.67Å; R162-E166 WeakPolarHBondContact O-CB 3.21Å; R162-E166 WeakPolarHBondContact O-CG 3.46Å; R162-E166 PolarHBondContact O-N 3.36Å |
| 163 | H | 65.6 | Low | 64.9 | Low | 101 Ų | 101 | 96.5 Ų | 96.5 | 47% | 0.468 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 177.9 | -61.2 | -39.8 | 0 | 0 | 0 | 112.2 | A159 E166 C167 | A159-H163 PolarHBondContact O-CD2 3Å; A159-H163 PolarHBondContact O-N 2.93Å; H163-E166 WeakPolarHBondContact CA-OE2 3.37Å; H163-E166 IonicContact CE1-OE2 3.55Å; H163-E166 IonicContact CG-OE2 3.13Å; H163-E166 IonicContact ND1-OE2 2.73Å; H163-E166 PolarHBondContact ND1-OE2 3.37Å; H163-E166 PolarHBondContact O-N 3.43Å; H163-C167 WeakPolarHBondContact O-CB 3.43Å; H163-C167 PolarHBondContact O-N 3.06Å; H163-C167 PolarHBondContact O-SG 3.39Å |
| 164 | K | 64.1 | Low | 66.5 | Low | 124 Ų | 124 | 99.4 Ų | 99.4 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 171.6 | -174 | 175.9 | 179.6 | -172.1 | 0 | 112.2 | G160 R162 E166 C167 E168 | G160-K164 WeakPolarHBondContact O-CB 3.32Å; G160-K164 PolarHBondContact O-N 3.49Å; R162-K164 VanDerWaalsContact C-N 3.28Å; R162-K164 PolarHBondContact O-N 3.44Å; K164-E166 VanDerWaalsContact C-N 3.32Å; K164-C167 PolarHBondContact O-N 2.96Å; K164-E168 WeakPolarHBondContact CE-OE1 3.49Å; K164-E168 HydrophobicContact CG-CG 4.15Å; K164-E168 IonicContact NZ-OE1 3.79Å; K164-E168 WeakPolarHBondContact O-CB 3.4Å; K164-E168 WeakPolarHBondContact O-CG 3.4Å; K164-E168 PolarHBondContact O-N 2.81Å |
| 165 | L | 69.7 | Low | 68.1 | Low | 123 Ų | 123 | 97.5 Ų | 97.5 | 64% | 0.644 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.1 | -35 | 178.1 | -72.8 | 168.2 | 0 | 0 | 0 | 112.3 | L161 R162 Q169 | L161-L165 WeakPolarHBondContact O-CG 3.48Å; L161-L165 PolarHBondContact O-N 3.44Å; L161-L165 VanDerWaalsContact O-N 3.08Å; R162-L165 CarbonylContact O-C 3.59Å; R162-L165 WeakPolarHBondContact O-CA 3.34Å; R162-L165 WeakPolarHBondContact O-CB 3.12Å; R162-L165 PolarHBondContact O-N 2.67Å; L165-Q169 WeakPolarHBondContact O-CB 3.4Å; L165-Q169 PolarHBondContact O-N 3.18Å |
| 166 | E | 73.9 | Confident | 69.5 | Low | 97 Ų | 97 | 99 Ų | 99 | 45% | 0.453 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -48.2 | 174.2 | -71.7 | 157.3 | -178.6 | 0 | 0 | 110.6 | R162 H163 K164 E168 Q169 L170 | R162-E166 WeakPolarHBondContact O-CB 3.21Å; R162-E166 WeakPolarHBondContact O-CG 3.46Å; R162-E166 PolarHBondContact O-N 3.36Å; H163-E166 WeakPolarHBondContact CA-OE2 3.37Å; H163-E166 IonicContact CE1-OE2 3.55Å; H163-E166 IonicContact CG-OE2 3.13Å; H163-E166 IonicContact ND1-OE2 2.73Å; H163-E166 PolarHBondContact ND1-OE2 3.37Å; H163-E166 PolarHBondContact O-N 3.43Å; K164-E166 VanDerWaalsContact C-N 3.32Å; E166-E168 PolarHBondContact O-N 2.81Å; E166-Q169 WeakPolarHBondContact O-CB 3.42Å; E166-Q169 PolarHBondContact O-N 2.82Å; E166-Q169 VanDerWaalsContact O-N 3.09Å; E166-L170 WeakPolarHBondContact O-CG 3.26Å; E166-L170 PolarHBondContact O-N 3.19Å |
| 167 | C | 66.7 | Low | 70.7 | Confident | 81 Ų | 81 | 96.9 Ų | 96.9 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 174.1 | -67.6 | 0 | 0 | 0 | 0 | 113 | H163 K164 Q169 R171 | H163-C167 WeakPolarHBondContact O-CB 3.43Å; H163-C167 PolarHBondContact O-N 3.06Å; H163-C167 PolarHBondContact O-SG 3.39Å; K164-C167 PolarHBondContact O-N 2.96Å; C167-Q169 PolarHBondContact O-N 3.16Å; C167-R171 VanDerWaalsContact O-CB 3.24Å; C167-R171 WeakPolarHBondContact O-CB 3.13Å; C167-R171 PolarHBondContact O-N 3.42Å |
| 168 | E | 72.9 | Confident | 72.5 | Confident | 82 Ų | 82 | 99.7 Ų | 99.7 | 38% | 0.383 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.1 | -14 | 175.3 | -65.4 | -89.9 | -155.1 | 0 | 0 | 112.4 | K164 E166 R172 | K164-E168 WeakPolarHBondContact CE-OE1 3.49Å; K164-E168 HydrophobicContact CG-CG 4.15Å; K164-E168 IonicContact NZ-OE1 3.79Å; K164-E168 WeakPolarHBondContact O-CB 3.4Å; K164-E168 WeakPolarHBondContact O-CG 3.4Å; K164-E168 PolarHBondContact O-N 2.81Å; E166-E168 PolarHBondContact O-N 2.81Å; E168-R172 VanDerWaalsContact O-CZ 3.25Å; E168-R172 PolarHBondContact O-NE 3.2Å; E168-R172 PolarHBondContact O-NH2 3Å |
| 169 | Q | 81.6 | Confident | 73.8 | Confident | 73 Ų | 73 | 99.9 Ų | 99.9 | 34% | 0.341 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -87.5 | -52.7 | 170.3 | -175.2 | 57.6 | 49.8 | 0 | 0 | 110.6 | L165 E166 C167 R171 R172 D173 | L165-Q169 WeakPolarHBondContact O-CB 3.4Å; L165-Q169 PolarHBondContact O-N 3.18Å; E166-Q169 WeakPolarHBondContact O-CB 3.42Å; E166-Q169 PolarHBondContact O-N 2.82Å; E166-Q169 VanDerWaalsContact O-N 3.09Å; C167-Q169 PolarHBondContact O-N 3.16Å; Q169-R171 PolarHBondContact O-N 2.94Å; Q169-R172 WeakPolarHBondContact O-CA 3.43Å; Q169-R172 WeakPolarHBondContact O-CB 3.5Å; Q169-R172 PolarHBondContact O-N 3.14Å; Q169-D173 WeakPolarHBondContact CG-OD2 3.46Å; Q169-D173 VanDerWaalsContact NE2-CG 3.31Å; Q169-D173 PolarHBondContact NE2-OD1 2.85Å; Q169-D173 PolarHBondContact NE2-OD2 3.26Å; Q169-D173 VanDerWaalsContact NE2-OD2 3.12Å; Q169-D173 PolarHBondContact O-N 3.18Å |
| 170 | L | 75.3 | Confident | 75 | Confident | 115 Ų | 115 | 100.4 Ų | 100.4 | 60% | 0.602 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -52.7 | -39.6 | 174 | -70.6 | 169.4 | 0 | 0 | 0 | 112.1 | E166 R172 D173 L174 | E166-L170 WeakPolarHBondContact O-CG 3.26Å; E166-L170 PolarHBondContact O-N 3.19Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 PolarHBondContact O-N 3.33Å; L170-D173 PolarHBondContact O-N 2.98Å; L170-L174 WeakPolarHBondContact O-CB 3.43Å; L170-L174 PolarHBondContact O-N 2.98Å |
| 171 | R | 80.3 | Confident | 76.5 | Confident | 160 Ų | 160 | 103.5 Ų | 103.5 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.9 | -31.5 | 175.7 | -168 | -178 | 117 | 64.9 | 7.7 | 113.4 | C167 Q169 E175 | C167-R171 VanDerWaalsContact O-CB 3.24Å; C167-R171 WeakPolarHBondContact O-CB 3.13Å; C167-R171 PolarHBondContact O-N 3.42Å; Q169-R171 PolarHBondContact O-N 2.94Å; R171-E175 PolarHBondContact O-N 3.24Å |
| 172 | R | 79.3 | Confident | 77.9 | Confident | 137 Ų | 137 | 101.4 Ų | 101.4 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -80.3 | -38.3 | 175.2 | -79.9 | 177.7 | -76.3 | 126.4 | 8.1 | 111.7 | E168 Q169 L170 E175 M176 | E168-R172 VanDerWaalsContact O-CZ 3.25Å; E168-R172 PolarHBondContact O-NE 3.2Å; E168-R172 PolarHBondContact O-NH2 3Å; Q169-R172 WeakPolarHBondContact O-CA 3.43Å; Q169-R172 WeakPolarHBondContact O-CB 3.5Å; Q169-R172 PolarHBondContact O-N 3.14Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 PolarHBondContact O-N 3.33Å; R172-E175 PolarHBondContact O-N 2.98Å; R172-M176 WeakPolarHBondContact O-CB 3.43Å; R172-M176 PolarHBondContact O-N 3.35Å |
| 173 | D | 79.5 | Confident | 79.1 | Confident | 56 Ų | 56 | 99.2 Ų | 99.2 | 30% | 0.299 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 177.1 | -58.9 | -30.2 | 0 | 0 | 0 | 110.9 | Q169 L170 M176 H177 | Q169-D173 WeakPolarHBondContact CG-OD2 3.46Å; Q169-D173 VanDerWaalsContact NE2-CG 3.31Å; Q169-D173 PolarHBondContact NE2-OD1 2.85Å; Q169-D173 PolarHBondContact NE2-OD2 3.26Å; Q169-D173 VanDerWaalsContact NE2-OD2 3.12Å; Q169-D173 PolarHBondContact O-N 3.18Å; L170-D173 PolarHBondContact O-N 2.98Å; D173-M176 PolarHBondContact O-N 3Å; D173-H177 PolarHBondContact O-CD2 3Å; D173-H177 PolarHBondContact O-N 3.1Å |
| 174 | L | 79.1 | Confident | 80.1 | Confident | 119 Ų | 119 | 101.2 Ų | 101.2 | 62% | 0.623 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.5 | -40.5 | 176.1 | -165.8 | 157.8 | 0 | 0 | 0 | 112.4 | L170 H177 K178 | L170-L174 WeakPolarHBondContact O-CB 3.43Å; L170-L174 PolarHBondContact O-N 2.98Å; L174-H177 PolarHBondContact O-N 3.25Å; L174-K178 WeakPolarHBondContact O-CB 3.43Å; L174-K178 PolarHBondContact O-N 2.8Å |
| 175 | E | 85.9 | Confident | 81.2 | Confident | 72 Ų | 72 | 100.9 Ų | 100.9 | 34% | 0.336 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 173.2 | -157.7 | 81.5 | -115.1 | 0 | 0 | 111 | R171 R172 H177 K178 D179 | R171-E175 PolarHBondContact O-N 3.24Å; R172-E175 PolarHBondContact O-N 2.98Å; E175-H177 PolarHBondContact O-N 3.31Å; E175-K178 WeakPolarHBondContact O-CB 3.3Å; E175-K178 PolarHBondContact O-N 2.99Å; E175-K178 VanDerWaalsContact O-N 3.16Å; E175-K178 IonicContact OE1-NZ 3.3Å; E175-K178 PolarHBondContact OE1-NZ 3.34Å; E175-D179 PolarHBondContact O-N 2.95Å |
| 176 | M | 88 | Confident | 82.2 | Confident | 90 Ų | 90 | 99.1 Ų | 99.1 | 44% | 0.443 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 174.3 | 179.2 | -78.7 | -57 | 0 | 0 | 112.4 | R172 D173 T180 | R172-M176 WeakPolarHBondContact O-CB 3.43Å; R172-M176 PolarHBondContact O-N 3.35Å; D173-M176 PolarHBondContact O-N 3Å; M176-T180 VanDerWaalsContact O-CB 3.31Å; M176-T180 WeakPolarHBondContact O-CB 3.37Å; M176-T180 PolarHBondContact O-N 3.34Å; M176-T180 PolarHBondContact O-OG1 3.2Å |
| 177 | H | 82 | Confident | 82.8 | Confident | 103 Ų | 103 | 98.2 Ų | 98.2 | 48% | 0.477 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 173.2 | -74.4 | -54.3 | 0 | 0 | 0 | 112.2 | D173 L174 E175 T180 I181 | D173-H177 PolarHBondContact O-CD2 3Å; D173-H177 PolarHBondContact O-N 3.1Å; L174-H177 PolarHBondContact O-N 3.25Å; E175-H177 PolarHBondContact O-N 3.31Å; H177-T180 WeakPolarHBondContact O-CB 3.38Å; H177-T180 PolarHBondContact O-N 3.46Å; H177-I181 WeakPolarHBondContact O-CB 3.3Å; H177-I181 WeakPolarHBondContact O-CD1 3.47Å; H177-I181 VanDerWaalsContact O-CG1 3.24Å; H177-I181 WeakPolarHBondContact O-CG1 3.47Å; H177-I181 PolarHBondContact O-N 3.47Å |
| 178 | K | 86.4 | Confident | 83.8 | Confident | 111 Ų | 111 | 99.1 Ų | 99.1 | 48% | 0.483 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 176.1 | 175.3 | -177.1 | 153.7 | -144.5 | 0 | 112.3 | L174 E175 T180 I181 T182 | L174-K178 WeakPolarHBondContact O-CB 3.43Å; L174-K178 PolarHBondContact O-N 2.8Å; E175-K178 WeakPolarHBondContact O-CB 3.3Å; E175-K178 PolarHBondContact O-N 2.99Å; E175-K178 VanDerWaalsContact O-N 3.16Å; E175-K178 IonicContact OE1-NZ 3.3Å; E175-K178 PolarHBondContact OE1-NZ 3.34Å; K178-T180 VanDerWaalsContact C-N 3.32Å; K178-T180 PolarHBondContact O-N 3.12Å; K178-I181 PolarHBondContact O-N 2.93Å; K178-T182 WeakPolarHBondContact O-CB 3.24Å; K178-T182 PolarHBondContact O-N 3.42Å; K178-T182 PolarHBondContact O-OG1 3.01Å |
| 179 | D | 85.8 | Confident | 84.5 | Confident | 104 Ų | 104 | 98.7 Ų | 98.7 | 56% | 0.556 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 171.9 | -74 | -20.1 | 0 | 0 | 0 | 111 | E175 T182 H183 | E175-D179 PolarHBondContact O-N 2.95Å; D179-T182 WeakPolarHBondContact O-CB 3.18Å; D179-T182 PolarHBondContact O-N 3.09Å; D179-H183 WeakPolarHBondContact O-CB 3.26Å; D179-H183 PolarHBondContact O-N 3.33Å |
| 180 | T | 84.9 | Confident | 84.9 | Confident | 49 Ų | 49 | 100.3 Ų | 100.3 | 30% | 0.301 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 178.1 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | M176 H177 K178 T182 H183 Y184 | M176-T180 VanDerWaalsContact O-CB 3.31Å; M176-T180 WeakPolarHBondContact O-CB 3.37Å; M176-T180 PolarHBondContact O-N 3.34Å; M176-T180 PolarHBondContact O-OG1 3.2Å; H177-T180 WeakPolarHBondContact O-CB 3.38Å; H177-T180 PolarHBondContact O-N 3.46Å; K178-T180 VanDerWaalsContact C-N 3.32Å; K178-T180 PolarHBondContact O-N 3.12Å; T180-T182 VanDerWaalsContact C-N 3.34Å; T180-H183 PolarHBondContact O-N 3.34Å; T180-Y184 HydrophobicContact CG2-CD2 3.84Å; T180-Y184 HydrophobicContact CG2-CE2 3.47Å; T180-Y184 VanDerWaalsContact CG2-CE2 3.47Å; T180-Y184 VanDerWaalsContact O-CD2 3.28Å; T180-Y184 WeakPolarHBondContact O-CD2 3.35Å; T180-Y184 PolarHBondContact O-N 3.04Å |
| 181 | I | 84.8 | Confident | 85.6 | Confident | 108 Ų | 108 | 96.1 Ų | 96.1 | 55% | 0.554 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 174 | -71.2 | 162.2 | 0 | 0 | 0 | 110.2 | H177 K178 H183 Y184 Q185 | H177-I181 WeakPolarHBondContact O-CB 3.3Å; H177-I181 WeakPolarHBondContact O-CD1 3.47Å; H177-I181 VanDerWaalsContact O-CG1 3.24Å; H177-I181 WeakPolarHBondContact O-CG1 3.47Å; H177-I181 PolarHBondContact O-N 3.47Å; K178-I181 PolarHBondContact O-N 2.93Å; I181-H183 VanDerWaalsContact C-N 3.31Å; I181-H183 PolarHBondContact O-N 3.32Å; I181-Y184 PolarHBondContact O-N 3.11Å; I181-Q185 WeakPolarHBondContact O-CB 3.15Å; I181-Q185 PolarHBondContact O-N 2.68Å |
| 182 | T | 86.5 | Confident | 86 | Confident | 67 Ų | 67 | 91 Ų | 91 | 41% | 0.411 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 176.5 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | K178 D179 T180 Q185 N186 | K178-T182 WeakPolarHBondContact O-CB 3.24Å; K178-T182 PolarHBondContact O-N 3.42Å; K178-T182 PolarHBondContact O-OG1 3.01Å; D179-T182 WeakPolarHBondContact O-CB 3.18Å; D179-T182 PolarHBondContact O-N 3.09Å; T180-T182 VanDerWaalsContact C-N 3.34Å; T182-Q185 PolarHBondContact O-N 3.25Å; T182-N186 PolarHBondContact O-N 3.39Å; T182-N186 PolarHBondContact O-ND2 2.88Å |
| 183 | H | 88.7 | Confident | 86.4 | Confident | 112 Ų | 112 | 92.8 Ų | 92.8 | 52% | 0.519 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 175.1 | -178.8 | 50.7 | 0 | 0 | 0 | 112.5 | D179 T180 I181 Q185 N186 I187 | D179-H183 WeakPolarHBondContact O-CB 3.26Å; D179-H183 PolarHBondContact O-N 3.33Å; T180-H183 PolarHBondContact O-N 3.34Å; I181-H183 VanDerWaalsContact C-N 3.31Å; I181-H183 PolarHBondContact O-N 3.32Å; H183-Q185 VanDerWaalsContact C-N 3.34Å; H183-Q185 PolarHBondContact O-N 2.88Å; H183-N186 WeakPolarHBondContact O-CB 3.32Å; H183-N186 PolarHBondContact O-N 3.3Å; H183-I187 WeakPolarHBondContact O-CG1 3.41Å; H183-I187 PolarHBondContact O-N 3.4Å |
| 184 | Y | 86.9 | Confident | 87 | Confident | 142 Ų | 142 | 94.9 Ų | 94.9 | 56% | 0.557 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.7 | -38.3 | 174.8 | -74.3 | -51.9 | 0 | 0 | 0 | 112.6 | T180 I181 N186 I187 I188 | T180-Y184 HydrophobicContact CG2-CD2 3.84Å; T180-Y184 HydrophobicContact CG2-CE2 3.47Å; T180-Y184 VanDerWaalsContact CG2-CE2 3.47Å; T180-Y184 VanDerWaalsContact O-CD2 3.28Å; T180-Y184 WeakPolarHBondContact O-CD2 3.35Å; T180-Y184 PolarHBondContact O-N 3.04Å; I181-Y184 PolarHBondContact O-N 3.11Å; Y184-N186 VanDerWaalsContact C-N 3.29Å; Y184-N186 PolarHBondContact O-N 3.48Å; Y184-I187 HydrophobicContact CD1-CD1 4.37Å; Y184-I187 PolarHBondContact O-N 2.82Å; Y184-I188 VanDerWaalsContact O-CG1 3.3Å; Y184-I188 WeakPolarHBondContact O-CG1 3.42Å; Y184-I188 PolarHBondContact O-N 3.47Å |
| 185 | Q | 88 | Confident | 87.4 | Confident | 118 Ų | 118 | 95.5 Ų | 95.5 | 55% | 0.551 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.5 | -35.4 | 176.3 | -165.5 | 168.3 | 10.6 | 0 | 0 | 111.6 | I181 T182 H183 N189 | I181-Q185 WeakPolarHBondContact O-CB 3.15Å; I181-Q185 PolarHBondContact O-N 2.68Å; T182-Q185 PolarHBondContact O-N 3.25Å; H183-Q185 VanDerWaalsContact C-N 3.34Å; H183-Q185 PolarHBondContact O-N 2.88Å; Q185-N189 WeakPolarHBondContact O-CB 3.41Å; Q185-N189 PolarHBondContact O-N 3.11Å; Q185-N189 PolarHBondContact O-ND2 2.99Å; Q185-N189 VanDerWaalsContact O-ND2 3.13Å |
| 186 | N | 89.9 | Confident | 87.6 | Confident | 85 Ų | 85 | 96 Ų | 96 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -45.3 | 170.9 | -71.4 | -22.7 | 0 | 0 | 0 | 112.4 | T182 H183 Y184 I188 N189 E190 | T182-N186 PolarHBondContact O-N 3.39Å; T182-N186 PolarHBondContact O-ND2 2.88Å; H183-N186 WeakPolarHBondContact O-CB 3.32Å; H183-N186 PolarHBondContact O-N 3.3Å; Y184-N186 VanDerWaalsContact C-N 3.29Å; Y184-N186 PolarHBondContact O-N 3.48Å; N186-I188 VanDerWaalsContact C-N 3.3Å; N186-I188 PolarHBondContact O-N 3.35Å; N186-N189 WeakPolarHBondContact O-CB 3.35Å; N186-N189 PolarHBondContact O-N 3.4Å; N186-N189 VanDerWaalsContact O-N 3.11Å; N186-E190 PolarHBondContact O-N 3.43Å |
| 187 | I | 87.1 | Confident | 87.8 | Confident | 79 Ų | 79 | 96.4 Ų | 96.4 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 175.4 | -68.4 | 168.7 | 0 | 0 | 0 | 111.2 | H183 Y184 E190 G191 | H183-I187 WeakPolarHBondContact O-CG1 3.41Å; H183-I187 PolarHBondContact O-N 3.4Å; Y184-I187 HydrophobicContact CD1-CD1 4.37Å; Y184-I187 PolarHBondContact O-N 2.82Å; I187-E190 PolarHBondContact O-N 2.85Å; I187-G191 PolarHBondContact O-N 3.39Å |
| 188 | I | 86.3 | Confident | 88.1 | Confident | 99 Ų | 99 | 96.7 Ų | 96.7 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 175.2 | -70.2 | 163.9 | 0 | 0 | 0 | 110.4 | Y184 N186 G191 N192 | Y184-I188 VanDerWaalsContact O-CG1 3.3Å; Y184-I188 WeakPolarHBondContact O-CG1 3.42Å; Y184-I188 PolarHBondContact O-N 3.47Å; N186-I188 VanDerWaalsContact C-N 3.3Å; N186-I188 PolarHBondContact O-N 3.35Å; I188-G191 PolarHBondContact O-N 3.09Å; I188-N192 WeakPolarHBondContact O-CB 3.06Å; I188-N192 PolarHBondContact O-N 3.02Å; I188-N192 PolarHBondContact O-ND2 3.47Å; I188-N192 PolarHBondContact O-OD1 2.96Å |
| 189 | N | 89.4 | Confident | 88.3 | Confident | 74 Ų | 74 | 98.8 Ų | 98.8 | 40% | 0.396 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 177.5 | -72 | -28.5 | 0 | 0 | 0 | 112.9 | Q185 N186 N192 R193 | Q185-N189 WeakPolarHBondContact O-CB 3.41Å; Q185-N189 PolarHBondContact O-N 3.11Å; Q185-N189 PolarHBondContact O-ND2 2.99Å; Q185-N189 VanDerWaalsContact O-ND2 3.13Å; N186-N189 WeakPolarHBondContact O-CB 3.35Å; N186-N189 PolarHBondContact O-N 3.4Å; N186-N189 VanDerWaalsContact O-N 3.11Å; N189-N192 PolarHBondContact O-N 3.03Å; N189-R193 WeakPolarHBondContact O-CG 3.47Å; N189-R193 PolarHBondContact O-N 3.21Å; N189-R193 VanDerWaalsContact O-N 3.08Å |
| 190 | E | 88.1 | Confident | 88.5 | Confident | 107 Ų | 107 | 100.7 Ų | 100.7 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 172.7 | -71.7 | -179.8 | 166.8 | 0 | 0 | 111.5 | N186 I187 N192 R193 L194 | N186-E190 PolarHBondContact O-N 3.43Å; I187-E190 PolarHBondContact O-N 2.85Å; E190-N192 PolarHBondContact O-N 3.16Å; E190-R193 PolarHBondContact O-N 3.11Å; E190-L194 PolarHBondContact O-N 3.36Å |
| 191 | G | 90.1 | Very high | 88.6 | Confident | 26 Ų | 26 | 102 Ų | 102 | 27% | 0.268 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -27.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I187 I188 R195 | I187-G191 PolarHBondContact O-N 3.39Å; I188-G191 PolarHBondContact O-N 3.09Å; G191-R195 WeakPolarHBondContact O-CG 3.44Å; G191-R195 PolarHBondContact O-N 3.42Å; G191-R195 PolarHBondContact O-NH1 3.24Å |
| 192 | N | 88.9 | Confident | 88.8 | Confident | 53 Ų | 53 | 101 Ų | 101 | 28% | 0.283 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.4 | -51.6 | 171.7 | -68.8 | -16 | 0 | 0 | 0 | 110.6 | I188 N189 E190 L194 R195 D196 | I188-N192 WeakPolarHBondContact O-CB 3.06Å; I188-N192 PolarHBondContact O-N 3.02Å; I188-N192 PolarHBondContact O-ND2 3.47Å; I188-N192 PolarHBondContact O-OD1 2.96Å; N189-N192 PolarHBondContact O-N 3.03Å; E190-N192 PolarHBondContact O-N 3.16Å; N192-L194 VanDerWaalsContact C-N 3.34Å; N192-L194 PolarHBondContact O-N 3.39Å; N192-R195 PolarHBondContact O-N 2.93Å; N192-R195 VanDerWaalsContact OD1-CZ 3.31Å; N192-R195 PolarHBondContact OD1-NH1 2.76Å; N192-R195 PolarHBondContact OD1-NH2 3.08Å; N192-D196 PolarHBondContact O-N 2.95Å; N192-D196 VanDerWaalsContact O-N 3.14Å |
| 193 | R | 89.3 | Confident | 88.9 | Confident | 175 Ų | 175 | 103.1 Ų | 103.1 | 66% | 0.66 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -53.3 | -49.9 | 175.5 | -72 | 171.7 | 177.7 | 170.4 | -0.8 | 111.7 | N189 E190 R195 D196 D197 | N189-R193 WeakPolarHBondContact O-CG 3.47Å; N189-R193 PolarHBondContact O-N 3.21Å; N189-R193 VanDerWaalsContact O-N 3.08Å; E190-R193 PolarHBondContact O-N 3.11Å; R193-R195 PolarHBondContact O-N 3.37Å; R193-D196 CarbonylContact O-C 3.55Å; R193-D196 WeakPolarHBondContact O-CA 3.26Å; R193-D196 PolarHBondContact O-N 3.33Å; R193-D197 VanDerWaalsContact O-CG 3.24Å; R193-D197 PolarHBondContact O-N 2.93Å |
| 194 | L | 90.3 | Very high | 89 | Confident | 99 Ų | 99 | 103.1 Ų | 103.1 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.2 | -35 | 178.1 | -179.2 | 62.6 | 0 | 0 | 0 | 113 | E190 N192 L198 | E190-L194 PolarHBondContact O-N 3.36Å; N192-L194 VanDerWaalsContact C-N 3.34Å; N192-L194 PolarHBondContact O-N 3.39Å; L194-L198 HydrophobicContact CD1-CD1 4.37Å; L194-L198 HydrophobicContact CD1-CG 4.43Å; L194-L198 HydrophobicContact CG-CD1 4.17Å; L194-L198 VanDerWaalsContact O-CB 3.31Å; L194-L198 WeakPolarHBondContact O-CB 3.5Å; L194-L198 WeakPolarHBondContact O-CD1 3.41Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3.39Å |
| 195 | R | 88.7 | Confident | 89 | Confident | 133 Ų | 133 | 99.5 Ų | 99.5 | 50% | 0.502 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.8 | -30.3 | 175.8 | -70.7 | -169.3 | -41.2 | -81.6 | 9.8 | 112.6 | G191 N192 R193 R199 | G191-R195 WeakPolarHBondContact O-CG 3.44Å; G191-R195 PolarHBondContact O-N 3.42Å; G191-R195 PolarHBondContact O-NH1 3.24Å; N192-R195 PolarHBondContact O-N 2.93Å; N192-R195 VanDerWaalsContact OD1-CZ 3.31Å; N192-R195 PolarHBondContact OD1-NH1 2.76Å; N192-R195 PolarHBondContact OD1-NH2 3.08Å; R193-R195 PolarHBondContact O-N 3.37Å; R195-R199 VanDerWaalsContact O-CD 3.28Å; R195-R199 WeakPolarHBondContact O-CD 3.43Å; R195-R199 WeakPolarHBondContact O-CG 3.36Å; R195-R199 PolarHBondContact O-N 3.47Å; R195-R199 VanDerWaalsContact O-N 3.1Å |
| 196 | D | 89.9 | Confident | 89.1 | Confident | 83 Ų | 83 | 101.5 Ų | 101.5 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -78.6 | -38.6 | 175.4 | -66.9 | -35.5 | 0 | 0 | 0 | 111.7 | N192 R193 L198 R199 E200 | N192-D196 PolarHBondContact O-N 2.95Å; N192-D196 VanDerWaalsContact O-N 3.14Å; R193-D196 CarbonylContact O-C 3.55Å; R193-D196 WeakPolarHBondContact O-CA 3.26Å; R193-D196 PolarHBondContact O-N 3.33Å; D196-L198 VanDerWaalsContact C-N 3.34Å; D196-L198 PolarHBondContact O-N 3.18Å; D196-R199 WeakPolarHBondContact O-CB 3.5Å; D196-R199 PolarHBondContact O-N 3.35Å; D196-R199 VanDerWaalsContact O-N 3.11Å; D196-R199 WeakPolarHBondContact OD1-CD 3.05Å; D196-R199 IonicContact OD1-CZ 2.95Å; D196-R199 IonicContact OD1-NE 2.67Å; D196-R199 IonicContact OD1-NH1 3.6Å; D196-R199 PolarHBondContact OD1-NH1 3.16Å; D196-E200 PolarHBondContact O-N 3.04Å |
| 197 | D | 91.2 | Very high | 89 | Confident | 98 Ų | 98 | 104.7 Ų | 104.7 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.3 | -46.2 | 169.2 | -60.1 | -30.6 | 0 | 0 | 0 | 110.9 | R193 R199 E200 E201 | R193-D197 VanDerWaalsContact O-CG 3.24Å; R193-D197 PolarHBondContact O-N 2.93Å; D197-R199 VanDerWaalsContact C-N 3.32Å; D197-R199 PolarHBondContact O-N 2.88Å; D197-E200 PolarHBondContact O-N 3Å; D197-E201 PolarHBondContact O-N 2.86Å |
| 198 | L | 88.8 | Confident | 89.1 | Confident | 108 Ų | 108 | 105.3 Ų | 105.3 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.8 | -30.6 | 175.9 | -75.2 | 169.3 | 0 | 0 | 0 | 113 | L194 D196 L202 | L194-L198 HydrophobicContact CD1-CD1 4.37Å; L194-L198 HydrophobicContact CD1-CG 4.43Å; L194-L198 HydrophobicContact CG-CD1 4.17Å; L194-L198 VanDerWaalsContact O-CB 3.31Å; L194-L198 WeakPolarHBondContact O-CB 3.5Å; L194-L198 WeakPolarHBondContact O-CD1 3.41Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3.39Å; D196-L198 VanDerWaalsContact C-N 3.34Å; D196-L198 PolarHBondContact O-N 3.18Å; L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 PolarHBondContact O-N 2.87Å |
| 199 | R | 90.8 | Very high | 88.9 | Confident | 156 Ų | 156 | 102.3 Ų | 102.3 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.2 | -42.1 | 173.1 | -77.4 | 158.8 | 167.3 | 178.7 | -7.5 | 111.1 | R195 D196 D197 L202 L203 | R195-R199 VanDerWaalsContact O-CD 3.28Å; R195-R199 WeakPolarHBondContact O-CD 3.43Å; R195-R199 WeakPolarHBondContact O-CG 3.36Å; R195-R199 PolarHBondContact O-N 3.47Å; R195-R199 VanDerWaalsContact O-N 3.1Å; D196-R199 WeakPolarHBondContact O-CB 3.5Å; D196-R199 PolarHBondContact O-N 3.35Å; D196-R199 VanDerWaalsContact O-N 3.11Å; D196-R199 WeakPolarHBondContact OD1-CD 3.05Å; D196-R199 IonicContact OD1-CZ 2.95Å; D196-R199 IonicContact OD1-NE 2.67Å; D196-R199 IonicContact OD1-NH1 3.6Å; D196-R199 PolarHBondContact OD1-NH1 3.16Å; D197-R199 VanDerWaalsContact C-N 3.32Å; D197-R199 PolarHBondContact O-N 2.88Å; R199-L202 PolarHBondContact O-N 2.92Å; R199-L203 VanDerWaalsContact O-CG 3.31Å; R199-L203 WeakPolarHBondContact O-CG 3.38Å; R199-L203 PolarHBondContact O-N 3.39Å |
| 200 | E | 89.5 | Confident | 88.6 | Confident | 143 Ų | 143 | 101.5 Ų | 101.5 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66 | -45.5 | 176.1 | -173 | 167.4 | -178.8 | 0 | 0 | 111.4 | D196 D197 L202 L203 R204 | D196-E200 PolarHBondContact O-N 3.04Å; D197-E200 PolarHBondContact O-N 3Å; E200-L202 PolarHBondContact O-N 3.38Å; E200-L203 WeakPolarHBondContact O-CB 3.34Å; E200-L203 PolarHBondContact O-N 3.39Å; E200-L203 VanDerWaalsContact O-N 3.14Å; E200-R204 WeakPolarHBondContact O-CB 3.33Å; E200-R204 PolarHBondContact O-N 2.89Å |
| 201 | E | 88.5 | Confident | 88.5 | Confident | 78 Ų | 78 | 100.3 Ų | 100.3 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 176.1 | -176.4 | 59.5 | -163.8 | 0 | 0 | 111.9 | D197 L203 R204 V205 | D197-E201 PolarHBondContact O-N 2.86Å; E201-L203 VanDerWaalsContact C-N 3.32Å; E201-L203 PolarHBondContact O-N 3.25Å; E201-R204 WeakPolarHBondContact O-CB 3.39Å; E201-R204 PolarHBondContact O-N 2.82Å; E201-R204 VanDerWaalsContact O-N 3.16Å; E201-R204 IonicContact OE1-CZ 3.81Å; E201-R204 IonicContact OE1-NE 3.84Å; E201-R204 PolarHBondContact OE1-NE 3.11Å; E201-R204 IonicContact OE1-NH2 2.93Å; E201-R204 PolarHBondContact OE1-NH2 3.27Å; E201-R204 WeakPolarHBondContact OE2-CD 3.24Å; E201-R204 IonicContact OE2-CZ 3.32Å; E201-R204 IonicContact OE2-NE 2.59Å; E201-R204 PolarHBondContact OE2-NE 3.34Å; E201-R204 IonicContact OE2-NH2 2.69Å; E201-V205 HydrophobicContact CG-CG2 4.41Å; E201-V205 WeakPolarHBondContact O-CB 3.38Å; E201-V205 WeakPolarHBondContact O-CG2 3.36Å; E201-V205 PolarHBondContact O-N 3.47Å |
| 202 | L | 88.6 | Confident | 88.1 | Confident | 85 Ų | 85 | 101.7 Ų | 101.7 | 45% | 0.445 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 173.7 | -175.5 | 69.4 | 0 | 0 | 0 | 112 | L198 R199 E200 R206 | L198-L202 WeakPolarHBondContact O-CB 3.38Å; L198-L202 PolarHBondContact O-N 2.87Å; R199-L202 PolarHBondContact O-N 2.92Å; E200-L202 PolarHBondContact O-N 3.38Å; L202-R206 VanDerWaalsContact O-CB 3.29Å; L202-R206 WeakPolarHBondContact O-CB 3.43Å; L202-R206 WeakPolarHBondContact O-CD 3.39Å; L202-R206 WeakPolarHBondContact O-CG 3.48Å; L202-R206 PolarHBondContact O-N 2.96Å |
| 203 | L | 87.6 | Confident | 87.6 | Confident | 113 Ų | 113 | 108 Ų | 108 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.1 | -39.2 | 173.1 | -71.6 | 168.1 | 0 | 0 | 0 | 111.5 | R199 E200 E201 R206 K207 | R199-L203 VanDerWaalsContact O-CG 3.31Å; R199-L203 WeakPolarHBondContact O-CG 3.38Å; R199-L203 PolarHBondContact O-N 3.39Å; E200-L203 WeakPolarHBondContact O-CB 3.34Å; E200-L203 PolarHBondContact O-N 3.39Å; E200-L203 VanDerWaalsContact O-N 3.14Å; E201-L203 VanDerWaalsContact C-N 3.32Å; E201-L203 PolarHBondContact O-N 3.25Å; L203-R206 PolarHBondContact O-N 3.2Å; L203-K207 WeakPolarHBondContact O-CB 3.33Å; L203-K207 PolarHBondContact O-N 2.67Å |
| 204 | R | 91.6 | Very high | 87.1 | Confident | 111 Ų | 111 | 103.6 Ų | 103.6 | 42% | 0.419 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -50.1 | 175.4 | -156.5 | -173.9 | 72.5 | 67.8 | 16.8 | 111.4 | E200 E201 K207 E208 | E200-R204 WeakPolarHBondContact O-CB 3.33Å; E200-R204 PolarHBondContact O-N 2.89Å; E201-R204 WeakPolarHBondContact O-CB 3.39Å; E201-R204 PolarHBondContact O-N 2.82Å; E201-R204 VanDerWaalsContact O-N 3.16Å; E201-R204 IonicContact OE1-CZ 3.81Å; E201-R204 IonicContact OE1-NE 3.84Å; E201-R204 PolarHBondContact OE1-NE 3.11Å; E201-R204 IonicContact OE1-NH2 2.93Å; E201-R204 PolarHBondContact OE1-NH2 3.27Å; E201-R204 WeakPolarHBondContact OE2-CD 3.24Å; E201-R204 IonicContact OE2-CZ 3.32Å; E201-R204 IonicContact OE2-NE 2.59Å; E201-R204 PolarHBondContact OE2-NE 3.34Å; E201-R204 IonicContact OE2-NH2 2.69Å; R204-K207 WeakPolarHBondContact O-CB 3.47Å; R204-K207 PolarHBondContact O-N 3.08Å; R204-E208 IonicContact CZ-OE1 3.67Å; R204-E208 IonicContact NH1-OE1 3.55Å; R204-E208 PolarHBondContact NH1-OE1 2.8Å; R204-E208 IonicContact NH2-OE1 3.92Å; R204-E208 PolarHBondContact O-N 3.18Å |
| 205 | V | 87 | Confident | 86.6 | Confident | 67 Ų | 67 | 107.4 Ų | 107.4 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 177 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | E201 K207 E208 A209 | E201-V205 HydrophobicContact CG-CG2 4.41Å; E201-V205 WeakPolarHBondContact O-CB 3.38Å; E201-V205 WeakPolarHBondContact O-CG2 3.36Å; E201-V205 PolarHBondContact O-N 3.47Å; V205-K207 VanDerWaalsContact C-N 3.32Å; V205-K207 PolarHBondContact O-N 3.38Å; V205-E208 PolarHBondContact O-N 3.25Å; V205-A209 VanDerWaalsContact O-CB 3.27Å; V205-A209 WeakPolarHBondContact O-CB 3.22Å; V205-A209 PolarHBondContact O-N 3.16Å |
| 206 | R | 88.9 | Confident | 85.8 | Confident | 160 Ų | 160 | 106.9 Ų | 106.9 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.2 | -39.5 | 173.2 | -77.4 | 169.1 | 175.7 | -174.1 | -2.2 | 112 | L202 L203 A210 | L202-R206 VanDerWaalsContact O-CB 3.29Å; L202-R206 WeakPolarHBondContact O-CB 3.43Å; L202-R206 WeakPolarHBondContact O-CD 3.39Å; L202-R206 WeakPolarHBondContact O-CG 3.48Å; L202-R206 PolarHBondContact O-N 2.96Å; L203-R206 PolarHBondContact O-N 3.2Å; R206-A210 WeakPolarHBondContact O-CB 3.2Å; R206-A210 PolarHBondContact O-N 2.97Å |
| 207 | K | 89.3 | Confident | 84.7 | Confident | 151 Ų | 151 | 105.9 Ų | 105.9 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.6 | -44.3 | 175.8 | -169.4 | 177.2 | -178 | 179.4 | 0 | 112 | L203 R204 V205 A210 I211 | L203-K207 WeakPolarHBondContact O-CB 3.33Å; L203-K207 PolarHBondContact O-N 2.67Å; R204-K207 WeakPolarHBondContact O-CB 3.47Å; R204-K207 PolarHBondContact O-N 3.08Å; V205-K207 VanDerWaalsContact C-N 3.32Å; V205-K207 PolarHBondContact O-N 3.38Å; K207-A210 PolarHBondContact O-N 3.32Å; K207-I211 HydrophobicContact CG-CD1 4.43Å; K207-I211 WeakPolarHBondContact O-CG1 3.39Å; K207-I211 PolarHBondContact O-N 2.99Å; K207-I211 VanDerWaalsContact O-N 3.08Å |
| 208 | E | 88.2 | Confident | 83.7 | Confident | 93 Ų | 93 | 105.2 Ų | 105.2 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 172.9 | -73.8 | -171.5 | 170 | 0 | 0 | 112 | R204 V205 A210 I211 A212 | R204-E208 IonicContact CZ-OE1 3.67Å; R204-E208 IonicContact NH1-OE1 3.55Å; R204-E208 PolarHBondContact NH1-OE1 2.8Å; R204-E208 IonicContact NH2-OE1 3.92Å; R204-E208 PolarHBondContact O-N 3.18Å; V205-E208 PolarHBondContact O-N 3.25Å; E208-A210 VanDerWaalsContact C-N 3.34Å; E208-A210 PolarHBondContact O-N 3.29Å; E208-I211 PolarHBondContact O-N 2.97Å; E208-A212 WeakPolarHBondContact O-CB 3.39Å; E208-A212 PolarHBondContact O-N 3.39Å |
| 209 | A | 81.5 | Confident | 82.1 | Confident | 36 Ų | 36 | 103 Ų | 103 | 30% | 0.298 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V205 A212 R213 | V205-A209 VanDerWaalsContact O-CB 3.27Å; V205-A209 WeakPolarHBondContact O-CB 3.22Å; V205-A209 PolarHBondContact O-N 3.16Å; A209-A212 PolarHBondContact O-N 2.95Å; A209-R213 WeakPolarHBondContact O-CB 3.37Å; A209-R213 VanDerWaalsContact O-CG 3.27Å; A209-R213 WeakPolarHBondContact O-CG 3.45Å; A209-R213 PolarHBondContact O-N 3.02Å |
| 210 | A | 83.4 | Confident | 80.2 | Confident | 57 Ų | 57 | 100.7 Ų | 100.7 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R206 K207 E208 R213 S214 | R206-A210 WeakPolarHBondContact O-CB 3.2Å; R206-A210 PolarHBondContact O-N 2.97Å; K207-A210 PolarHBondContact O-N 3.32Å; E208-A210 VanDerWaalsContact C-N 3.34Å; E208-A210 PolarHBondContact O-N 3.29Å; A210-R213 PolarHBondContact O-N 3.35Å; A210-S214 WeakPolarHBondContact O-CB 3.37Å; A210-S214 PolarHBondContact O-N 3.04Å |
| 211 | I | 86.1 | Confident | 78.3 | Confident | 81 Ų | 81 | 99.6 Ų | 99.6 | 42% | 0.415 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 174.4 | -66.2 | 162.8 | 0 | 0 | 0 | 110.7 | K207 E208 S214 R215 | K207-I211 HydrophobicContact CG-CD1 4.43Å; K207-I211 WeakPolarHBondContact O-CG1 3.39Å; K207-I211 PolarHBondContact O-N 2.99Å; K207-I211 VanDerWaalsContact O-N 3.08Å; E208-I211 PolarHBondContact O-N 2.97Å; I211-S214 PolarHBondContact O-N 3.29Å; I211-R215 WeakPolarHBondContact O-CG 3.05Å; I211-R215 PolarHBondContact O-N 2.89Å |
| 212 | A | 81.7 | Confident | 75.9 | Confident | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.5 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E208 A209 R215 L216 | E208-A212 WeakPolarHBondContact O-CB 3.39Å; E208-A212 PolarHBondContact O-N 3.39Å; A209-A212 PolarHBondContact O-N 2.95Å; A212-R215 PolarHBondContact O-N 3.22Å; A212-L216 WeakPolarHBondContact O-CB 3.41Å; A212-L216 PolarHBondContact O-N 3.09Å |
| 213 | R | 78.9 | Confident | 73.2 | Confident | 187 Ų | 187 | 111.1 Ų | 111.1 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.1 | -41.3 | 173.8 | -71.1 | 174.5 | -159.9 | -166.2 | 5.3 | 112 | A209 A210 L216 A217 | A209-R213 WeakPolarHBondContact O-CB 3.37Å; A209-R213 VanDerWaalsContact O-CG 3.27Å; A209-R213 WeakPolarHBondContact O-CG 3.45Å; A209-R213 PolarHBondContact O-N 3.02Å; A210-R213 PolarHBondContact O-N 3.35Å; R213-L216 PolarHBondContact O-N 3.19Å; R213-A217 WeakPolarHBondContact O-CB 3.38Å; R213-A217 PolarHBondContact O-N 2.86Å |
| 214 | S | 78.2 | Confident | 70.9 | Confident | 82 Ų | 82 | 111.8 Ų | 111.8 | 57% | 0.573 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.6 | -46.4 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | A210 I211 A217 S218 | A210-S214 WeakPolarHBondContact O-CB 3.37Å; A210-S214 PolarHBondContact O-N 3.04Å; I211-S214 PolarHBondContact O-N 3.29Å; S214-A217 PolarHBondContact O-N 3.12Å; S214-S218 PolarHBondContact O-N 3.44Å; S214-S218 PolarHBondContact O-OG 3.1Å |
| 215 | R | 80.3 | Confident | 68.2 | Low | 179 Ų | 179 | 112.8 Ų | 112.8 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.3 | -45.6 | 173.3 | -72.6 | 174.8 | 178.1 | 174.9 | -0.4 | 112.2 | I211 A212 S218 A219 | I211-R215 WeakPolarHBondContact O-CG 3.05Å; I211-R215 PolarHBondContact O-N 2.89Å; A212-R215 PolarHBondContact O-N 3.22Å; R215-S218 WeakPolarHBondContact CA-OG 3.49Å; R215-S218 PolarHBondContact O-N 3.32Å; R215-S218 PolarHBondContact O-OG 3.49Å; R215-A219 PolarHBondContact O-N 3.39Å |
| 216 | L | 71.7 | Confident | 65.4 | Low | 121 Ų | 121 | 116.7 Ų | 116.7 | 63% | 0.634 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.7 | -46.5 | 178.9 | -163.2 | 78 | 0 | 0 | 0 | 111.1 | A212 R213 S218 A219 T220 | A212-L216 WeakPolarHBondContact O-CB 3.41Å; A212-L216 PolarHBondContact O-N 3.09Å; R213-L216 PolarHBondContact O-N 3.19Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-S218 PolarHBondContact O-N 3.07Å; L216-A219 PolarHBondContact O-N 3.01Å; L216-T220 PolarHBondContact O-N 2.67Å; L216-T220 PolarHBondContact O-OG1 3.48Å |
| 217 | A | 67.9 | Low | 62.6 | Low | 62 Ų | 62 | 114.2 Ų | 114.2 | 51% | 0.512 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -57.5 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | R213 S214 A219 T220 T221 | R213-A217 WeakPolarHBondContact O-CB 3.38Å; R213-A217 PolarHBondContact O-N 2.86Å; S214-A217 PolarHBondContact O-N 3.12Å; A217-A219 VanDerWaalsContact C-N 3.27Å; A217-A219 PolarHBondContact O-N 3.14Å; A217-T220 PolarHBondContact O-N 3.39Å; A217-T221 PolarHBondContact O-OG1 2.93Å |
| 218 | S | 68.5 | Low | 60.5 | Low | 85 Ų | 85 | 112.7 Ų | 112.7 | 59% | 0.594 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.6 | -26.3 | 175.5 | 65.9 | 0 | 0 | 0 | 0 | 114.1 | S214 R215 L216 | S214-S218 PolarHBondContact O-N 3.44Å; S214-S218 PolarHBondContact O-OG 3.1Å; R215-S218 WeakPolarHBondContact CA-OG 3.49Å; R215-S218 PolarHBondContact O-N 3.32Å; R215-S218 PolarHBondContact O-OG 3.49Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-S218 PolarHBondContact O-N 3.07Å |
| 219 | A | 55.8 | Low | 57.7 | Low | 62 Ų | 62 | 114.8 Ų | 114.8 | 51% | 0.512 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -84.8 | -34.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | R215 L216 A217 T221 Q222 | R215-A219 PolarHBondContact O-N 3.39Å; L216-A219 PolarHBondContact O-N 3.01Å; A217-A219 VanDerWaalsContact C-N 3.27Å; A217-A219 PolarHBondContact O-N 3.14Å; A219-T221 PolarHBondContact O-N 3.23Å; A219-Q222 PolarHBondContact O-N 3.14Å; A219-Q222 VanDerWaalsContact O-N 3.1Å |
| 220 | T | 51.6 | Low | 55 | Low | 106 Ų | 106 | 119.3 Ų | 119.3 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.3 | -25.4 | -178.3 | -50.5 | 0 | 0 | 0 | 0 | 112.5 | L216 A217 Q222 | L216-T220 PolarHBondContact O-N 2.67Å; L216-T220 PolarHBondContact O-OG1 3.48Å; A217-T220 PolarHBondContact O-N 3.39Å; T220-Q222 PolarHBondContact O-N 2.93Å; T220-Q222 VanDerWaalsContact O-N 3.11Å |
| 221 | T | 48.8 | Very low | 52.3 | Low | 120 Ų | 120 | 121.7 Ų | 121.7 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -11.1 | 174.5 | -38.1 | 0 | 0 | 0 | 0 | 113.9 | A217 A219 | A217-T221 PolarHBondContact O-OG1 2.93Å; A219-T221 PolarHBondContact O-N 3.23Å |
| 222 | Q | 39.1 | Very low | 49.4 | Very low | 170 Ų | 170 | 124 Ų | 124 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.6 | 69.2 | -177.2 | -65.6 | -166.9 | 0.8 | 0 | 0 | 115.1 | A219 T220 | A219-Q222 PolarHBondContact O-N 3.14Å; A219-Q222 VanDerWaalsContact O-N 3.1Å; T220-Q222 PolarHBondContact O-N 2.93Å; T220-Q222 VanDerWaalsContact O-N 3.11Å |
| 223 | R | 31.7 | Very low | 46.8 | Very low | 236 Ų | 236 | 127.3 Ų | 127.3 | 89% | 0.891 | 72% | 0.724 | S | S | * | * | trans | -163.7 | 136.2 | 141.8 | -122.3 | 168.3 | 175.7 | 134.4 | -0.6 | 115.1 | ||||
| 224 | P | 39.4 | Very low | 44.2 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -83 | 167.2 | 169.5 | 34.6 | -35.3 | 0 | 0 | 0 | 113 | ||||
| 225 | V | 33.2 | Very low | 41.7 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | -71 | 141.7 | -175.7 | 175.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 226 | N | 29.2 | Very low | 39.3 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -170.3 | 140.4 | 136.4 | -100.5 | -24.9 | 0 | 0 | 0 | 115.1 | ||||
| 227 | S | 30.4 | Very low | 37.1 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | 62.1 | 131.7 | 156.2 | -56.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 228 | P | 45.5 | Very low | 35.2 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -97.3 | 163.5 | 174.6 | 39 | -34.8 | 0 | 0 | 0 | 113.7 | ||||
| 229 | V | 29.4 | Very low | 33.2 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -134.5 | 135.8 | 163 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 230 | T | 24.5 | Very low | 32 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -121.5 | 123.9 | 178.8 | -43.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 231 | S | 26.6 | Very low | 31.3 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -149.8 | 102.7 | 176.8 | 43.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 232 | T | 24.9 | Very low | 30.5 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 122.5 | 176.5 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 233 | P | 27.6 | Very low | 30.3 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 151.7 | 177.5 | 32.2 | -34.5 | 0 | 0 | 0 | 112.4 | ||
| 234 | H | 24.2 | Very low | 30.6 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79 | 148.5 | 173.9 | -70.6 | -47.7 | 0 | 0 | 0 | 112.5 | ||
| 235 | A | 25 | Very low | 30.7 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 139 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 236 | P | 30.6 | Very low | 30.9 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 162.6 | 177.6 | 34.6 | -34.9 | 0 | 0 | 0 | 113.4 | ||
| 237 | N | 25.8 | Very low | 31.7 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 161.5 | -168.6 | -82.9 | -27.2 | 0 | 0 | 0 | 116.5 | ||
| 238 | H | 26.5 | Very low | 32.3 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -64 | 151.6 | -179.6 | -57.3 | -88.7 | 0 | 0 | 0 | 115.3 | ||
| 239 | H | 28.1 | Very low | 32.3 | Very low | 197 Ų | 197 | 134.4 Ų | 134.4 | 91% | 0.912 | 74% | 0.744 | S | S | * | * | trans | -128.2 | 147.5 | 156.3 | -93.2 | -48.5 | 0 | 0 | 0 | 110.7 | ||||
| 240 | H | 29.9 | Very low | 33.2 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -89.9 | 141.6 | -174.5 | -123.5 | -83.3 | 0 | 0 | 0 | 111.8 | F242 | H240-F242 PolarHBondContact O-N 2.96Š| ||
| 241 | P | 36.6 | Very low | 34.2 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 60.4 | -167.5 | 37.9 | -38.4 | 0 | 0 | 0 | 114.3 | ||
| 242 | F | 31.7 | Very low | 34.9 | Very low | 182 Ų | 182 | 129.1 Ų | 129.1 | 80% | 0.798 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | -13.6 | 174.1 | -93.3 | -80.1 | 0 | 0 | 0 | 115.5 | H240 E244 | H240-F242 PolarHBondContact O-N 2.96Å; F242-E244 VanDerWaalsContact C-N 3.34Å; F242-E244 PolarHBondContact O-N 3.31Å |
| 243 | D | 35.1 | Very low | 35.9 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 58% | 0.583 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -6.3 | -178.5 | -86.8 | 1 | 0 | 0 | 0 | 115.2 | A245 D246 K247 | D243-A245 VanDerWaalsContact C-N 3.33Å; D243-A245 PolarHBondContact O-N 2.98Å; D243-D246 PolarHBondContact O-N 2.69Å; D243-K247 WeakPolarHBondContact O-CB 3.5Å; D243-K247 PolarHBondContact O-N 2.97Å |
| 244 | E | 38.3 | Very low | 36.9 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70 | -29.1 | -165.7 | -161.9 | 162 | -125.5 | 0 | 0 | 113.4 | F242 M248 | F242-E244 VanDerWaalsContact C-N 3.34Å; F242-E244 PolarHBondContact O-N 3.31Å; E244-M248 PolarHBondContact O-N 3.32Å; E244-M248 VanDerWaalsContact O-N 3.15Å |
| 245 | A | 41.6 | Very low | 37.6 | Very low | 73 Ų | 73 | 122.2 Ų | 122.2 | 60% | 0.603 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.8 | -47.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D243 M248 A249 | D243-A245 VanDerWaalsContact C-N 3.33Å; D243-A245 PolarHBondContact O-N 2.98Å; A245-M248 PolarHBondContact O-N 3.01Å; A245-M248 VanDerWaalsContact O-N 3.14Å; A245-A249 PolarHBondContact O-N 3Å |
| 246 | D | 38.4 | Very low | 38.8 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 62% | 0.615 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.8 | -29.5 | -179.6 | -78.3 | -6.3 | 0 | 0 | 0 | 111.8 | D243 A249 T250 | D243-D246 PolarHBondContact O-N 2.69Å; D246-A249 PolarHBondContact O-N 3.17Å; D246-T250 WeakPolarHBondContact O-CB 3.34Å; D246-T250 PolarHBondContact O-N 3.25Å; D246-T250 PolarHBondContact O-OG1 3.12Å |
| 247 | K | 44.8 | Very low | 39 | Very low | 138 Ų | 138 | 122.9 Ų | 122.9 | 60% | 0.6 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -62.2 | -41.5 | 166.1 | -84.7 | -178.1 | 176.3 | 171.4 | 0 | 112.1 | D243 T251 | D243-K247 WeakPolarHBondContact O-CB 3.5Å; D243-K247 PolarHBondContact O-N 2.97Å; K247-T251 WeakPolarHBondContact O-CB 3.46Å; K247-T251 PolarHBondContact O-N 3.41Å; K247-T251 PolarHBondContact O-OG1 2.98Å |
| 248 | M | 42.9 | Very low | 39.5 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 65% | 0.65 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.2 | -40.8 | 177.6 | -169.5 | 168 | -71.5 | 0 | 0 | 112 | E244 A245 T251 M252 | E244-M248 PolarHBondContact O-N 3.32Å; E244-M248 VanDerWaalsContact O-N 3.15Å; A245-M248 PolarHBondContact O-N 3.01Å; A245-M248 VanDerWaalsContact O-N 3.14Å; M248-T251 PolarHBondContact O-N 3.48Å; M248-M252 PolarHBondContact O-N 3.42Å; M248-M252 VanDerWaalsContact O-N 3.13Å |
| 249 | A | 46.8 | Very low | 40.1 | Very low | 53 Ų | 53 | 118.6 Ų | 118.6 | 44% | 0.438 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.2 | -48.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A245 D246 T251 M252 M253 | A245-A249 PolarHBondContact O-N 3Å; D246-A249 PolarHBondContact O-N 3.17Å; A249-T251 VanDerWaalsContact C-N 3.32Å; A249-T251 PolarHBondContact O-N 2.91Å; A249-M252 PolarHBondContact O-N 2.77Å; A249-M253 PolarHBondContact O-N 3.12Å; A249-M253 VanDerWaalsContact O-N 3.07Å |
| 250 | T | 48.2 | Very low | 40.6 | Very low | 82 Ų | 82 | 117.8 Ų | 117.8 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -59 | -42.6 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | D246 M252 M253 V254 | D246-T250 WeakPolarHBondContact O-CB 3.34Å; D246-T250 PolarHBondContact O-N 3.25Å; D246-T250 PolarHBondContact O-OG1 3.12Å; T250-M252 VanDerWaalsContact C-N 3.32Å; T250-M252 PolarHBondContact O-N 2.92Å; T250-M253 PolarHBondContact O-N 3.32Å; T250-M253 VanDerWaalsContact O-N 3.12Å; T250-V254 WeakPolarHBondContact O-CG2 3.06Å; T250-V254 PolarHBondContact O-N 3.27Å |
| 251 | T | 45.7 | Very low | 40.8 | Very low | 84 Ų | 84 | 116.6 Ų | 116.6 | 52% | 0.515 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -61 | -40.7 | 177.4 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | K247 M248 A249 M255 | K247-T251 WeakPolarHBondContact O-CB 3.46Å; K247-T251 PolarHBondContact O-N 3.41Å; K247-T251 PolarHBondContact O-OG1 2.98Å; M248-T251 PolarHBondContact O-N 3.48Å; A249-T251 VanDerWaalsContact C-N 3.32Å; A249-T251 PolarHBondContact O-N 2.91Å; T251-M255 WeakPolarHBondContact O-CG 3.36Å; T251-M255 PolarHBondContact O-N 3.47Å |
| 252 | M | 40.3 | Very low | 41 | Very low | 99 Ų | 99 | 116.8 Ų | 116.8 | 49% | 0.488 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.6 | -38.2 | 173.9 | -69.2 | -153.4 | -53.4 | 0 | 0 | 112.9 | M248 A249 T250 M255 T256 I280 | M248-M252 PolarHBondContact O-N 3.42Å; M248-M252 VanDerWaalsContact O-N 3.13Å; A249-M252 PolarHBondContact O-N 2.77Å; T250-M252 VanDerWaalsContact C-N 3.32Å; T250-M252 PolarHBondContact O-N 2.92Å; M252-M255 WeakPolarHBondContact O-CB 3.29Å; M252-M255 PolarHBondContact O-N 3.4Å; M252-T256 PolarHBondContact O-N 3.38Å; M252-I280 HydrophobicContact SD-CD1 3.7Å |
| 253 | M | 45.2 | Very low | 41.4 | Very low | 136 Ų | 136 | 117.2 Ų | 117.2 | 67% | 0.67 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.5 | -39.4 | 179.9 | -158.9 | 176 | 80.2 | 0 | 0 | 111.8 | A249 T250 M255 T256 | A249-M253 PolarHBondContact O-N 3.12Å; A249-M253 VanDerWaalsContact O-N 3.07Å; T250-M253 PolarHBondContact O-N 3.32Å; T250-M253 VanDerWaalsContact O-N 3.12Å; M253-M255 PolarHBondContact O-N 2.66Å; M253-T256 PolarHBondContact O-N 2.93Å; M253-T256 VanDerWaalsContact O-N 3.13Å; M253-T256 PolarHBondContact O-OG1 3.44Å |
| 254 | V | 48.9 | Very low | 41.4 | Very low | 101 Ų | 101 | 118.4 Ų | 118.4 | 61% | 0.612 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63 | -30.3 | 172.2 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | T250 T256 | T250-V254 WeakPolarHBondContact O-CG2 3.06Å; T250-V254 PolarHBondContact O-N 3.27Å; V254-T256 VanDerWaalsContact C-N 3.28Å; V254-T256 PolarHBondContact O-N 3.14Å |
| 255 | M | 40.3 | Very low | 41.5 | Very low | 65 Ų | 65 | 119.9 Ų | 119.9 | 32% | 0.32 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73 | -13 | 175.4 | -73.3 | -179 | 70.5 | 0 | 0 | 114.4 | T251 M252 M253 H258 I273 | T251-M255 WeakPolarHBondContact O-CG 3.36Å; T251-M255 PolarHBondContact O-N 3.47Å; M252-M255 WeakPolarHBondContact O-CB 3.29Å; M252-M255 PolarHBondContact O-N 3.4Å; M253-M255 PolarHBondContact O-N 2.66Å; M255-H258 PolarHBondContact O-CE1 2.79Å; M255-H258 PolarHBondContact O-ND1 3.44Å; M255-H258 PolarHBondContact O-NE2 3.15Å; M255-I273 HydrophobicContact CE-CB 4.47Å; M255-I273 HydrophobicContact CE-CD1 3.88Å; M255-I273 HydrophobicContact CE-CG1 3.9Å; M255-I273 HydrophobicContact CE-CG2 3.87Å |
| 256 | T | 48.2 | Very low | 41.6 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 63% | 0.626 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -22.9 | 179 | 20.2 | 0 | 0 | 0 | 0 | 114.9 | M252 M253 V254 H258 | M252-T256 PolarHBondContact O-N 3.38Å; M253-T256 PolarHBondContact O-N 2.93Å; M253-T256 VanDerWaalsContact O-N 3.13Å; M253-T256 PolarHBondContact O-OG1 3.44Å; V254-T256 VanDerWaalsContact C-N 3.28Å; V254-T256 PolarHBondContact O-N 3.14Å; T256-H258 VanDerWaalsContact C-N 3.25Å; T256-H258 PolarHBondContact O-N 3.13Å |
| 257 | D | 36.6 | Very low | 41.7 | Very low | 133 Ų | 133 | 124.3 Ų | 124.3 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | trans | -81.8 | 66.9 | 178.7 | -77.2 | -33.1 | 0 | 0 | 0 | 112 | A259 | D257-A259 PolarHBondContact O-N 2.89Š| ||
| 258 | H | 34.9 | Very low | 42 | Very low | 167 Ų | 167 | 121.1 Ų | 121.1 | 77% | 0.773 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 28.6 | -179.5 | -74.9 | -36.3 | 0 | 0 | 0 | 115.2 | M255 T256 | M255-H258 PolarHBondContact O-CE1 2.79Å; M255-H258 PolarHBondContact O-ND1 3.44Å; M255-H258 PolarHBondContact O-NE2 3.15Å; T256-H258 VanDerWaalsContact C-N 3.25Å; T256-H258 PolarHBondContact O-N 3.13Å |
| 259 | A | 40.2 | Very low | 42.3 | Very low | 84 Ų | 84 | 119 Ų | 119 | 69% | 0.694 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -43.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | D257 | D257-A259 PolarHBondContact O-N 2.89Š|
| 260 | E | 39 | Very low | 43 | Very low | 180 Ų | 180 | 124 Ų | 124 | 84% | 0.841 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -123.2 | -3 | -159.6 | -61.5 | -160.1 | 141.9 | 0 | 0 | 117.2 | ||
| 261 | L | 33.7 | Very low | 43.6 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | trans | -110 | 48.6 | -170.6 | -86.1 | 155.8 | 0 | 0 | 0 | 115.3 | Q263 | L261-Q263 PolarHBondContact O-N 2.67Š| ||
| 262 | S | 40 | Very low | 44.3 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 81% | 0.811 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 23.1 | -179 | -54.7 | 0 | 0 | 0 | 0 | 116.1 | ||
| 263 | Q | 40.9 | Very low | 45.3 | Very low | 191 Ų | 191 | 121 Ų | 121 | 89% | 0.893 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.4 | 17.3 | -174.2 | -67.2 | -164.2 | 6.1 | 0 | 0 | 116.1 | L261 | L261-Q263 PolarHBondContact O-N 2.67Š|
| 264 | L | 34.8 | Very low | 46.4 | Very low | 134 Ų | 134 | 119.2 Ų | 119.2 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | trans | -113.9 | 115.9 | 169.8 | -137.2 | 75.3 | 0 | 0 | 0 | 111.3 | D266 | L264-D266 PolarHBondContact O-N 3.12Š| ||
| 265 | H | 40.1 | Very low | 47.3 | Very low | 191 Ų | 191 | 120.2 Ų | 120.2 | 88% | 0.884 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 1.6 | -161 | -138.9 | -57 | 0 | 0 | 0 | 115.2 | ||
| 266 | D | 43.2 | Very low | 48.4 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 83% | 0.834 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 18.7 | -175 | -75.5 | -53.1 | 0 | 0 | 0 | 114.1 | L264 | L264-D266 PolarHBondContact O-N 3.12Š|
| 267 | L | 41.5 | Very low | 49.6 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 65% | 0.654 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 126.5 | 172.4 | -83.7 | 163 | 0 | 0 | 0 | 110.6 | ||
| 268 | P | 49.9 | Very low | 51.3 | Low | 72 Ų | 72 | 123 Ų | 123 | 47% | 0.468 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -66 | 148.6 | -178.5 | 27.1 | -34.5 | 0 | 0 | 0 | 111.5 | A272 | P268-A272 HydrophobicContact CB-CB 4.48Š|
| 269 | P | 50.9 | Low | 52.9 | Low | 88 Ų | 88 | 120.4 Ų | 120.4 | 57% | 0.571 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 149.5 | -171.9 | 23.8 | -34.5 | 0 | 0 | 0 | 112.6 | D271 A272 | P269-D271 PolarHBondContact O-N 3.07Å; P269-A272 VanDerWaalsContact O-CB 3.3Å; P269-A272 WeakPolarHBondContact O-CB 3.47Å; P269-A272 PolarHBondContact O-N 3.41Å |
| 270 | Q | 60.4 | Low | 54.5 | Low | 157 Ų | 157 | 119.4 Ų | 119.4 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -55.2 | -31.9 | -168.4 | -153.5 | 167.7 | 17 | 0 | 0 | 114 | A272 I273 I274 | Q270-A272 VanDerWaalsContact C-N 3.31Å; Q270-A272 PolarHBondContact O-N 3.18Å; Q270-I273 WeakPolarHBondContact O-CB 3.42Å; Q270-I273 PolarHBondContact O-N 3.41Å; Q270-I274 WeakPolarHBondContact O-CG1 3.22Å; Q270-I274 PolarHBondContact O-N 3.18Å |
| 271 | D | 61.2 | Low | 56.4 | Low | 115 Ų | 115 | 114.2 Ų | 114.2 | 62% | 0.615 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.4 | -36.3 | 172.9 | -70 | -37.1 | 0 | 0 | 0 | 113.6 | P269 I273 I274 Q275 | P269-D271 PolarHBondContact O-N 3.07Å; D271-I273 VanDerWaalsContact C-N 3.34Å; D271-I274 PolarHBondContact O-N 2.73Å; D271-Q275 WeakPolarHBondContact O-CG 3.48Å; D271-Q275 PolarHBondContact O-N 3.13Å |
| 272 | A | 60.2 | Low | 58.4 | Low | 34 Ų | 34 | 114.8 Ų | 114.8 | 28% | 0.281 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.8 | -36.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P268 P269 Q270 Q275 L276 | P268-A272 HydrophobicContact CB-CB 4.48Å; P269-A272 VanDerWaalsContact O-CB 3.3Å; P269-A272 WeakPolarHBondContact O-CB 3.47Å; P269-A272 PolarHBondContact O-N 3.41Å; Q270-A272 VanDerWaalsContact C-N 3.31Å; Q270-A272 PolarHBondContact O-N 3.18Å; A272-Q275 PolarHBondContact O-N 3.46Å; A272-L276 WeakPolarHBondContact O-CB 3.45Å; A272-L276 WeakPolarHBondContact O-CG 3.47Å; A272-L276 PolarHBondContact O-N 3.36Å |
| 273 | I | 61.3 | Low | 59.9 | Low | 54 Ų | 54 | 117.5 Ų | 117.5 | 28% | 0.277 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65 | -43.2 | 174.5 | -51.9 | 179.3 | 0 | 0 | 0 | 110 | M255 Q270 D271 L276 R277 | M255-I273 HydrophobicContact CE-CB 4.47Å; M255-I273 HydrophobicContact CE-CD1 3.88Å; M255-I273 HydrophobicContact CE-CG1 3.9Å; M255-I273 HydrophobicContact CE-CG2 3.87Å; Q270-I273 WeakPolarHBondContact O-CB 3.42Å; Q270-I273 PolarHBondContact O-N 3.41Å; D271-I273 VanDerWaalsContact C-N 3.34Å; I273-L276 PolarHBondContact O-N 3Å; I273-R277 WeakPolarHBondContact O-CB 3.42Å; I273-R277 PolarHBondContact O-N 2.87Å |
| 274 | I | 69.1 | Low | 61.7 | Low | 98 Ų | 98 | 112.3 Ų | 112.3 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.5 | -43.1 | 175.7 | -65.6 | 165.9 | 0 | 0 | 0 | 111.1 | Q270 D271 T278 | Q270-I274 WeakPolarHBondContact O-CG1 3.22Å; Q270-I274 PolarHBondContact O-N 3.18Å; D271-I274 PolarHBondContact O-N 2.73Å; I274-T278 WeakPolarHBondContact O-CB 3.26Å; I274-T278 PolarHBondContact O-N 3.17Å; I274-T278 PolarHBondContact O-OG1 3.18Å |
| 275 | Q | 67.7 | Low | 63.5 | Low | 121 Ų | 121 | 113.3 Ų | 113.3 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -45 | 176.8 | -74.6 | -175.9 | 34.5 | 0 | 0 | 112.4 | D271 A272 T278 Q279 | D271-Q275 WeakPolarHBondContact O-CG 3.48Å; D271-Q275 PolarHBondContact O-N 3.13Å; A272-Q275 PolarHBondContact O-N 3.46Å; Q275-T278 PolarHBondContact O-N 3.4Å; Q275-Q279 PolarHBondContact O-N 3.23Å |
| 276 | L | 61.8 | Low | 65 | Low | 100 Ų | 100 | 108.7 Ų | 108.7 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.3 | -49 | 175.9 | -80.2 | 165.4 | 0 | 0 | 0 | 111.4 | A272 I273 T278 Q279 I280 | A272-L276 WeakPolarHBondContact O-CB 3.45Å; A272-L276 WeakPolarHBondContact O-CG 3.47Å; A272-L276 PolarHBondContact O-N 3.36Å; I273-L276 PolarHBondContact O-N 3Å; L276-T278 VanDerWaalsContact C-N 3.28Å; L276-T278 PolarHBondContact O-N 3.18Å; L276-Q279 PolarHBondContact O-N 3.15Å; L276-I280 VanDerWaalsContact O-CG1 3.31Å; L276-I280 WeakPolarHBondContact O-CG1 3.38Å; L276-I280 PolarHBondContact O-N 2.63Å |
| 277 | R | 73.7 | Confident | 66.3 | Low | 172 Ų | 172 | 104.6 Ų | 104.6 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -55.3 | -44 | 174.5 | -176.1 | 177.6 | 179.9 | 154.4 | 6.4 | 111.9 | I273 I280 E281 | I273-R277 WeakPolarHBondContact O-CB 3.42Å; I273-R277 PolarHBondContact O-N 2.87Å; R277-I280 PolarHBondContact O-N 3.07Å; R277-E281 IonicContact NE-OE1 2.82Å; R277-E281 PolarHBondContact O-N 3.4Å |
| 278 | T | 72.2 | Confident | 68.1 | Low | 86 Ų | 86 | 104.2 Ų | 104.2 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 179.4 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | I274 Q275 L276 Y282 | I274-T278 WeakPolarHBondContact O-CB 3.26Å; I274-T278 PolarHBondContact O-N 3.17Å; I274-T278 PolarHBondContact O-OG1 3.18Å; Q275-T278 PolarHBondContact O-N 3.4Å; L276-T278 VanDerWaalsContact C-N 3.28Å; L276-T278 PolarHBondContact O-N 3.18Å; T278-Y282 WeakPolarHBondContact O-CB 3.35Å; T278-Y282 PolarHBondContact O-N 3.24Å |
| 279 | Q | 69.1 | Low | 69.5 | Low | 114 Ų | 114 | 104 Ų | 104 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 175.2 | -71.1 | -165.5 | 20.7 | 0 | 0 | 112.5 | Q275 L276 Y282 R283 | Q275-Q279 PolarHBondContact O-N 3.23Å; L276-Q279 PolarHBondContact O-N 3.15Å; Q279-Y282 PolarHBondContact O-N 3.34Å; Q279-R283 PolarHBondContact O-N 3.37Å |
| 280 | I | 73.6 | Confident | 70.4 | Confident | 62 Ų | 62 | 104.9 Ų | 104.9 | 32% | 0.318 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 177.1 | -69.8 | 167 | 0 | 0 | 0 | 110 | M252 L276 R277 Y282 R283 I284 | M252-I280 HydrophobicContact SD-CD1 3.7Å; L276-I280 VanDerWaalsContact O-CG1 3.31Å; L276-I280 WeakPolarHBondContact O-CG1 3.38Å; L276-I280 PolarHBondContact O-N 2.63Å; R277-I280 PolarHBondContact O-N 3.07Å; I280-Y282 VanDerWaalsContact C-N 3.29Å; I280-Y282 PolarHBondContact O-N 3.06Å; I280-R283 PolarHBondContact O-N 3.2Å; I280-I284 HydrophobicContact CG2-CD1 3.77Å; I280-I284 HydrophobicContact CG2-CG1 4.42Å; I280-I284 WeakPolarHBondContact O-CG1 3.46Å; I280-I284 PolarHBondContact O-N 3.12Å |
| 281 | E | 78.6 | Confident | 71.4 | Confident | 71 Ų | 71 | 105.3 Ų | 105.3 | 33% | 0.332 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.4 | -40.7 | 173.2 | -77.9 | -172.1 | -145.9 | 0 | 0 | 112.5 | R277 I284 R285 | R277-E281 IonicContact NE-OE1 2.82Å; R277-E281 PolarHBondContact O-N 3.4Å; E281-I284 PolarHBondContact O-N 2.89Å; E281-R285 VanDerWaalsContact O-CG 3.26Å; E281-R285 WeakPolarHBondContact O-CG 3.47Å; E281-R285 PolarHBondContact O-N 2.66Å; E281-R285 IonicContact OE2-CZ 3.66Å; E281-R285 IonicContact OE2-NH2 3.42Å; E281-R285 PolarHBondContact OE2-NH2 2.71Å |
| 282 | Y | 76.8 | Confident | 72.4 | Confident | 153 Ų | 153 | 103.4 Ų | 103.4 | 60% | 0.6 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 176 | 177.4 | -101 | 0 | 0 | 0 | 112.2 | T278 Q279 I280 R285 L286 | T278-Y282 WeakPolarHBondContact O-CB 3.35Å; T278-Y282 PolarHBondContact O-N 3.24Å; Q279-Y282 PolarHBondContact O-N 3.34Å; I280-Y282 VanDerWaalsContact C-N 3.29Å; I280-Y282 PolarHBondContact O-N 3.06Å; Y282-R285 PolarHBondContact O-N 2.92Å; Y282-L286 WeakPolarHBondContact O-CB 3.43Å; Y282-L286 PolarHBondContact O-N 2.8Å |
| 283 | R | 70.2 | Confident | 73.1 | Confident | 173 Ų | 173 | 107.8 Ų | 107.8 | 65% | 0.653 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.9 | -35.1 | 177.5 | -71.6 | -173.3 | -175.8 | -86.9 | 4.2 | 112.9 | Q279 I280 L286 S287 | Q279-R283 PolarHBondContact O-N 3.37Å; I280-R283 PolarHBondContact O-N 3.2Å; R283-L286 PolarHBondContact O-N 3.46Å; R283-S287 PolarHBondContact O-N 3.32Å |
| 284 | I | 79 | Confident | 73.8 | Confident | 82 Ų | 82 | 109.2 Ų | 109.2 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -54.5 | 173.8 | -70 | 167.3 | 0 | 0 | 0 | 109.7 | I280 E281 L286 S287 E288 | I280-I284 HydrophobicContact CG2-CD1 3.77Å; I280-I284 HydrophobicContact CG2-CG1 4.42Å; I280-I284 WeakPolarHBondContact O-CG1 3.46Å; I280-I284 PolarHBondContact O-N 3.12Å; E281-I284 PolarHBondContact O-N 2.89Å; I284-L286 VanDerWaalsContact C-N 3.26Å; I284-L286 PolarHBondContact O-N 3.34Å; I284-S287 PolarHBondContact O-N 3.4Å; I284-S287 PolarHBondContact O-OG 3.07Å; I284-E288 HydrophobicContact CG2-CG 4.45Å; I284-E288 WeakPolarHBondContact O-CG 3.39Å; I284-E288 PolarHBondContact O-N 3.19Å |
| 285 | R | 74.1 | Confident | 74.3 | Confident | 155 Ų | 155 | 112.3 Ų | 112.3 | 59% | 0.585 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.6 | -36.4 | 178.7 | -65.5 | 175.2 | -149.7 | -169.4 | 7.4 | 112.4 | E281 Y282 S289 | E281-R285 VanDerWaalsContact O-CG 3.26Å; E281-R285 WeakPolarHBondContact O-CG 3.47Å; E281-R285 PolarHBondContact O-N 2.66Å; E281-R285 IonicContact OE2-CZ 3.66Å; E281-R285 IonicContact OE2-NH2 3.42Å; E281-R285 PolarHBondContact OE2-NH2 2.71Å; Y282-R285 PolarHBondContact O-N 2.92Å; R285-S289 WeakPolarHBondContact O-CB 3.39Å; R285-S289 PolarHBondContact O-N 3.02Å |
| 286 | L | 70 | Confident | 75.1 | Confident | 94 Ų | 94 | 110.1 Ų | 110.1 | 49% | 0.492 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 174.6 | -167 | 76.7 | 0 | 0 | 0 | 111.8 | Y282 R283 I284 S289 L290 | Y282-L286 WeakPolarHBondContact O-CB 3.43Å; Y282-L286 PolarHBondContact O-N 2.8Å; R283-L286 PolarHBondContact O-N 3.46Å; I284-L286 VanDerWaalsContact C-N 3.26Å; I284-L286 PolarHBondContact O-N 3.34Å; L286-S289 PolarHBondContact O-N 2.91Å; L286-L290 WeakPolarHBondContact O-CB 3.48Å; L286-L290 PolarHBondContact O-N 3.31Å |
| 287 | S | 71.1 | Confident | 75.3 | Confident | 70 Ų | 70 | 110.4 Ų | 110.4 | 49% | 0.49 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 177.8 | 77.9 | 0 | 0 | 0 | 0 | 112.5 | R283 I284 K291 | R283-S287 PolarHBondContact O-N 3.32Å; I284-S287 PolarHBondContact O-N 3.4Å; I284-S287 PolarHBondContact O-OG 3.07Å; S287-K291 WeakPolarHBondContact O-CB 3.39Å; S287-K291 PolarHBondContact O-N 3.21Å |
| 288 | E | 78.8 | Confident | 75.5 | Confident | 117 Ų | 117 | 111.4 Ų | 111.4 | 55% | 0.547 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 172.5 | -68.2 | -179.4 | 139.1 | 0 | 0 | 111.9 | I284 L290 K291 S292 | I284-E288 HydrophobicContact CG2-CG 4.45Å; I284-E288 WeakPolarHBondContact O-CG 3.39Å; I284-E288 PolarHBondContact O-N 3.19Å; E288-L290 PolarHBondContact O-N 3.25Å; E288-K291 PolarHBondContact O-N 2.68Å; E288-S292 PolarHBondContact O-N 3.2Å |
| 289 | S | 80.8 | Confident | 75.9 | Confident | 68 Ų | 68 | 112.1 Ų | 112.1 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.1 | -51.1 | 174.7 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | R285 L286 K291 S292 E293 | R285-S289 WeakPolarHBondContact O-CB 3.39Å; R285-S289 PolarHBondContact O-N 3.02Å; L286-S289 PolarHBondContact O-N 2.91Å; S289-K291 VanDerWaalsContact C-N 3.33Å; S289-K291 PolarHBondContact O-N 3.3Å; S289-S292 WeakPolarHBondContact O-CB 3.46Å; S289-S292 PolarHBondContact O-N 3.5Å; S289-S292 VanDerWaalsContact O-N 3.12Å; S289-S292 PolarHBondContact O-OG 3.28Å; S289-E293 PolarHBondContact O-N 2.94Å |
| 290 | L | 68.7 | Low | 76.2 | Confident | 107 Ų | 107 | 110.4 Ų | 110.4 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.7 | -40.4 | 179.1 | -163.6 | 76.3 | 0 | 0 | 0 | 111.8 | L286 E288 S292 E293 V294 | L286-L290 WeakPolarHBondContact O-CB 3.48Å; L286-L290 PolarHBondContact O-N 3.31Å; E288-L290 PolarHBondContact O-N 3.25Å; L290-S292 VanDerWaalsContact C-N 3.31Å; L290-S292 PolarHBondContact O-N 3.36Å; L290-E293 PolarHBondContact O-N 2.79Å; L290-V294 WeakPolarHBondContact O-CB 3.48Å; L290-V294 WeakPolarHBondContact O-CG2 3.36Å; L290-V294 PolarHBondContact O-N 2.91Å |
| 291 | K | 82.1 | Confident | 75.8 | Confident | 166 Ų | 166 | 112.2 Ų | 112.2 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.3 | -34.2 | 175.8 | -169.6 | 175.2 | -174.8 | 177.1 | 0 | 112.2 | S287 E288 S289 K295 | S287-K291 WeakPolarHBondContact O-CB 3.39Å; S287-K291 PolarHBondContact O-N 3.21Å; E288-K291 PolarHBondContact O-N 2.68Å; S289-K291 VanDerWaalsContact C-N 3.33Å; S289-K291 PolarHBondContact O-N 3.3Å; K291-K295 WeakPolarHBondContact O-CB 3.13Å; K291-K295 PolarHBondContact O-N 3.32Å |
| 292 | S | 82.5 | Confident | 75.8 | Confident | 74 Ų | 74 | 114.4 Ų | 114.4 | 52% | 0.517 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.4 | -39.7 | 174 | 81.6 | 0 | 0 | 0 | 0 | 112.4 | E288 S289 L290 K295 S296 | E288-S292 PolarHBondContact O-N 3.2Å; S289-S292 WeakPolarHBondContact O-CB 3.46Å; S289-S292 PolarHBondContact O-N 3.5Å; S289-S292 VanDerWaalsContact O-N 3.12Å; S289-S292 PolarHBondContact O-OG 3.28Å; L290-S292 VanDerWaalsContact C-N 3.31Å; L290-S292 PolarHBondContact O-N 3.36Å; S292-K295 WeakPolarHBondContact O-CB 3.47Å; S292-K295 PolarHBondContact O-N 3.35Å; S292-S296 PolarHBondContact O-N 3.3Å |
| 293 | E | 74.9 | Confident | 75.9 | Confident | 127 Ų | 127 | 108.3 Ų | 108.3 | 59% | 0.593 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.1 | -44.5 | 178.5 | -172.8 | 169.3 | -157.7 | 0 | 0 | 111.5 | S289 L290 K295 S296 L297 | S289-E293 PolarHBondContact O-N 2.94Å; L290-E293 PolarHBondContact O-N 2.79Å; E293-K295 VanDerWaalsContact C-N 3.27Å; E293-K295 PolarHBondContact O-N 3.27Å; E293-S296 WeakPolarHBondContact O-CB 3.37Å; E293-S296 PolarHBondContact O-N 2.86Å; E293-S296 VanDerWaalsContact O-N 3.15Å; E293-L297 WeakPolarHBondContact O-CB 3.41Å; E293-L297 PolarHBondContact O-N 2.83Å |
| 294 | V | 74.2 | Confident | 75.8 | Confident | 83 Ų | 83 | 106 Ų | 106 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.5 | -35.8 | 172.6 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | L290 R298 | L290-V294 WeakPolarHBondContact O-CB 3.48Å; L290-V294 WeakPolarHBondContact O-CG2 3.36Å; L290-V294 PolarHBondContact O-N 2.91Å; V294-R298 WeakPolarHBondContact O-CB 3.34Å; V294-R298 PolarHBondContact O-N 3.34Å |
| 295 | K | 81.6 | Confident | 75.3 | Confident | 163 Ų | 163 | 106.9 Ų | 106.9 | 71% | 0.709 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.3 | -43.5 | 174.1 | -170.6 | 179.6 | 179.7 | -176.1 | 0 | 111.6 | K291 S292 E293 R298 E299 | K291-K295 WeakPolarHBondContact O-CB 3.13Å; K291-K295 PolarHBondContact O-N 3.32Å; S292-K295 WeakPolarHBondContact O-CB 3.47Å; S292-K295 PolarHBondContact O-N 3.35Å; E293-K295 VanDerWaalsContact C-N 3.27Å; E293-K295 PolarHBondContact O-N 3.27Å; K295-R298 PolarHBondContact O-N 3.12Å; K295-E299 WeakPolarHBondContact O-CB 3.35Å; K295-E299 PolarHBondContact O-N 2.92Å |
| 296 | S | 82.7 | Confident | 75.5 | Confident | 76 Ų | 76 | 104.4 Ų | 104.4 | 53% | 0.531 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 175.4 | -171.6 | 0 | 0 | 0 | 0 | 112.3 | S292 E293 E299 T300 | S292-S296 PolarHBondContact O-N 3.3Å; E293-S296 WeakPolarHBondContact O-CB 3.37Å; E293-S296 PolarHBondContact O-N 2.86Å; E293-S296 VanDerWaalsContact O-N 3.15Å; S296-E299 PolarHBondContact O-N 3.32Å; S296-T300 WeakPolarHBondContact O-CB 3.37Å; S296-T300 PolarHBondContact O-N 3Å; S296-T300 PolarHBondContact O-OG1 3.4Å |
| 297 | L | 67.4 | Low | 75.8 | Confident | 105 Ų | 105 | 106.6 Ų | 106.6 | 55% | 0.55 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 176.8 | -177.3 | 61.9 | 0 | 0 | 0 | 111.8 | E293 E299 T300 I301 | E293-L297 WeakPolarHBondContact O-CB 3.41Å; E293-L297 PolarHBondContact O-N 2.83Å; L297-E299 VanDerWaalsContact C-N 3.31Å; L297-E299 PolarHBondContact O-N 3.12Å; L297-T300 WeakPolarHBondContact O-CB 3.38Å; L297-T300 PolarHBondContact O-N 2.88Å; L297-I301 HydrophobicContact CD1-CD1 4.33Å; L297-I301 HydrophobicContact CG-CD1 4.08Å; L297-I301 WeakPolarHBondContact O-CG1 3.12Å; L297-I301 PolarHBondContact O-N 3.42Å |
| 298 | R | 77.6 | Confident | 75.6 | Confident | 194 Ų | 194 | 109 Ų | 109 | 73% | 0.732 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.3 | -40.6 | 176 | -175.1 | -179.3 | -74.4 | -153.9 | -2.4 | 111.7 | V294 K295 I301 R302 | V294-R298 WeakPolarHBondContact O-CB 3.34Å; V294-R298 PolarHBondContact O-N 3.34Å; K295-R298 PolarHBondContact O-N 3.12Å; R298-I301 PolarHBondContact O-N 3.02Å; R298-R302 PolarHBondContact O-N 2.88Å |
| 299 | E | 79.7 | Confident | 75.3 | Confident | 101 Ų | 101 | 107.8 Ų | 107.8 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 176 | -174.6 | 70 | 163.6 | 0 | 0 | 112.3 | K295 S296 L297 R302 G303 | K295-E299 WeakPolarHBondContact O-CB 3.35Å; K295-E299 PolarHBondContact O-N 2.92Å; S296-E299 PolarHBondContact O-N 3.32Å; L297-E299 VanDerWaalsContact C-N 3.31Å; L297-E299 PolarHBondContact O-N 3.12Å; E299-R302 VanDerWaalsContact CD-NH2 3.27Å; E299-R302 WeakPolarHBondContact O-CB 3.48Å; E299-R302 PolarHBondContact O-N 2.97Å; E299-R302 IonicContact OE1-CZ 2.66Å; E299-R302 IonicContact OE1-NE 2.69Å; E299-R302 IonicContact OE1-NH2 3.99Å; E299-R302 PolarHBondContact OE1-NH2 2.99Å; E299-R302 IonicContact OE2-CZ 3.65Å; E299-R302 IonicContact OE2-NE 3.61Å; E299-R302 PolarHBondContact OE2-NE 3.16Å; E299-R302 IonicContact OE2-NH2 2.94Å; E299-R302 PolarHBondContact OE2-NH2 3.43Å; E299-G303 PolarHBondContact O-N 3.34Å |
| 300 | T | 76 | Confident | 74.9 | Confident | 77 Ų | 77 | 107 Ų | 107 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 174.6 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | S296 L297 G303 M304 | S296-T300 WeakPolarHBondContact O-CB 3.37Å; S296-T300 PolarHBondContact O-N 3Å; S296-T300 PolarHBondContact O-OG1 3.4Å; L297-T300 WeakPolarHBondContact O-CB 3.38Å; L297-T300 PolarHBondContact O-N 2.88Å; T300-G303 PolarHBondContact O-N 3.35Å; T300-M304 WeakPolarHBondContact O-CG 3.3Å; T300-M304 PolarHBondContact O-N 3.05Å |
| 301 | I | 65.4 | Low | 74.7 | Confident | 100 Ų | 100 | 107.9 Ų | 107.9 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 175.7 | -68.3 | 165.2 | 0 | 0 | 0 | 110.6 | L297 R298 M304 L305 | L297-I301 HydrophobicContact CD1-CD1 4.33Å; L297-I301 HydrophobicContact CG-CD1 4.08Å; L297-I301 WeakPolarHBondContact O-CG1 3.12Å; L297-I301 PolarHBondContact O-N 3.42Å; R298-I301 PolarHBondContact O-N 3.02Å; I301-M304 PolarHBondContact O-N 2.82Å; I301-L305 PolarHBondContact O-N 3.5Å |
| 302 | R | 79.2 | Confident | 73.9 | Confident | 118 Ų | 118 | 102.7 Ų | 102.7 | 45% | 0.445 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57 | -50.8 | 174.6 | -176 | 177.6 | 74.3 | 87.8 | -6.9 | 111.6 | R298 E299 M304 L305 E306 | R298-R302 PolarHBondContact O-N 2.88Å; E299-R302 VanDerWaalsContact CD-NH2 3.27Å; E299-R302 WeakPolarHBondContact O-CB 3.48Å; E299-R302 PolarHBondContact O-N 2.97Å; E299-R302 IonicContact OE1-CZ 2.66Å; E299-R302 IonicContact OE1-NE 2.69Å; E299-R302 IonicContact OE1-NH2 3.99Å; E299-R302 PolarHBondContact OE1-NH2 2.99Å; E299-R302 IonicContact OE2-CZ 3.65Å; E299-R302 IonicContact OE2-NE 3.61Å; E299-R302 PolarHBondContact OE2-NE 3.16Å; E299-R302 IonicContact OE2-NH2 2.94Å; E299-R302 PolarHBondContact OE2-NH2 3.43Å; R302-M304 PolarHBondContact O-N 2.92Å; R302-L305 PolarHBondContact O-N 3.44Å; R302-E306 VanDerWaalsContact CG-OE1 3.24Å; R302-E306 WeakPolarHBondContact CG-OE1 3.39Å; R302-E306 IonicContact CZ-OE1 2.73Å; R302-E306 IonicContact NE-OE1 3.66Å; R302-E306 IonicContact NH1-OE1 3.47Å; R302-E306 PolarHBondContact NH1-OE1 2.94Å; R302-E306 IonicContact NH1-OE2 3.96Å; R302-E306 PolarHBondContact NH1-OE2 3.28Å; R302-E306 WeakPolarHBondContact O-CG 3.43Å; R302-E306 PolarHBondContact O-N 3.2Å |
| 303 | G | 78.1 | Confident | 73.4 | Confident | 24 Ų | 24 | 105.9 Ų | 105.9 | 25% | 0.247 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -70.4 | -9.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | E299 T300 K307 | E299-G303 PolarHBondContact O-N 3.34Å; T300-G303 PolarHBondContact O-N 3.35Å; G303-K307 VanDerWaalsContact O-CD 3.29Å; G303-K307 WeakPolarHBondContact O-CD 3.4Å; G303-K307 WeakPolarHBondContact O-CE 3.42Å; G303-K307 WeakPolarHBondContact O-CG 3.42Å |
| 304 | M | 67.6 | Low | 73.1 | Confident | 124 Ų | 124 | 103.4 Ų | 103.4 | 61% | 0.611 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -85.8 | -48.6 | 165.5 | -75.9 | 177.9 | 59.3 | 0 | 0 | 111 | T300 I301 R302 E306 K307 E308 | T300-M304 WeakPolarHBondContact O-CG 3.3Å; T300-M304 PolarHBondContact O-N 3.05Å; I301-M304 PolarHBondContact O-N 2.82Å; R302-M304 PolarHBondContact O-N 2.92Å; M304-E306 VanDerWaalsContact C-N 3.32Å; M304-E306 PolarHBondContact O-N 2.88Å; M304-K307 WeakPolarHBondContact O-CB 3.08Å; M304-K307 PolarHBondContact O-N 2.94Å; M304-E308 PolarHBondContact O-N 3.41Å |
| 305 | L | 69.9 | Low | 72.7 | Confident | 101 Ų | 101 | 104.1 Ų | 104.1 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | -179.5 | -168.2 | 70.9 | 0 | 0 | 0 | 112 | I301 R302 K307 E308 V309 | I301-L305 PolarHBondContact O-N 3.5Å; R302-L305 PolarHBondContact O-N 3.44Å; L305-K307 VanDerWaalsContact C-N 3.26Å; L305-K307 PolarHBondContact O-N 3.38Å; L305-E308 PolarHBondContact O-N 3.13Å; L305-V309 WeakPolarHBondContact O-CG2 3.43Å; L305-V309 PolarHBondContact O-N 3.45Å |
| 306 | E | 77.8 | Confident | 72.1 | Confident | 103 Ų | 103 | 100.1 Ų | 100.1 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -34 | 175.1 | -74.3 | 168.1 | -174.1 | 0 | 0 | 112.6 | R302 M304 A310 | R302-E306 VanDerWaalsContact CG-OE1 3.24Å; R302-E306 WeakPolarHBondContact CG-OE1 3.39Å; R302-E306 IonicContact CZ-OE1 2.73Å; R302-E306 IonicContact NE-OE1 3.66Å; R302-E306 IonicContact NH1-OE1 3.47Å; R302-E306 PolarHBondContact NH1-OE1 2.94Å; R302-E306 IonicContact NH1-OE2 3.96Å; R302-E306 PolarHBondContact NH1-OE2 3.28Å; R302-E306 WeakPolarHBondContact O-CG 3.43Å; R302-E306 PolarHBondContact O-N 3.2Å; M304-E306 VanDerWaalsContact C-N 3.32Å; M304-E306 PolarHBondContact O-N 2.88Å; E306-A310 WeakPolarHBondContact O-CB 3.22Å; E306-A310 PolarHBondContact O-N 3.44Å; E306-A310 VanDerWaalsContact O-N 3.12Å |
| 307 | K | 76.4 | Confident | 71.6 | Confident | 141 Ų | 141 | 98.2 Ų | 98.2 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -76.1 | -37.3 | 175.7 | -67.8 | 171.3 | -174.2 | 163.9 | 0 | 112.2 | G303 M304 L305 A310 Q311 | G303-K307 VanDerWaalsContact O-CD 3.29Å; G303-K307 WeakPolarHBondContact O-CD 3.4Å; G303-K307 WeakPolarHBondContact O-CE 3.42Å; G303-K307 WeakPolarHBondContact O-CG 3.42Å; M304-K307 WeakPolarHBondContact O-CB 3.08Å; M304-K307 PolarHBondContact O-N 2.94Å; L305-K307 VanDerWaalsContact C-N 3.26Å; L305-K307 PolarHBondContact O-N 3.38Å; K307-A310 PolarHBondContact O-N 3.1Å; K307-Q311 WeakPolarHBondContact O-CB 3.45Å; K307-Q311 VanDerWaalsContact O-CG 3.31Å; K307-Q311 WeakPolarHBondContact O-CG 3.35Å; K307-Q311 PolarHBondContact O-N 2.99Å |
| 308 | E | 66.7 | Low | 71.5 | Confident | 119 Ų | 119 | 94.9 Ų | 94.9 | 56% | 0.556 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.2 | -40.9 | 176.6 | -173.6 | 171.3 | -164.1 | 0 | 0 | 111.6 | M304 L305 Q311 S312 | M304-E308 PolarHBondContact O-N 3.41Å; L305-E308 PolarHBondContact O-N 3.13Å; E308-Q311 PolarHBondContact O-N 2.93Å; E308-S312 WeakPolarHBondContact O-CB 3.41Å; E308-S312 PolarHBondContact O-N 2.85Å; E308-S312 PolarHBondContact O-OG 2.65Å |
| 309 | V | 72.8 | Confident | 71.1 | Confident | 93 Ų | 93 | 93.4 Ų | 93.4 | 56% | 0.564 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 172.3 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | L305 Q311 S312 H313 | L305-V309 WeakPolarHBondContact O-CG2 3.43Å; L305-V309 PolarHBondContact O-N 3.45Å; V309-Q311 PolarHBondContact O-N 3.15Å; V309-S312 PolarHBondContact O-N 3.19Å; V309-H313 PolarHBondContact O-N 2.84Å |
| 310 | A | 71.4 | Confident | 70.7 | Confident | 52 Ų | 52 | 92.5 Ų | 92.5 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E306 K307 H313 I314 | E306-A310 WeakPolarHBondContact O-CB 3.22Å; E306-A310 PolarHBondContact O-N 3.44Å; E306-A310 VanDerWaalsContact O-N 3.12Å; K307-A310 PolarHBondContact O-N 3.1Å; A310-H313 PolarHBondContact O-N 2.85Å; A310-I314 WeakPolarHBondContact O-CG1 3.37Å; A310-I314 PolarHBondContact O-N 2.92Å; A310-I314 VanDerWaalsContact O-N 3.12Å |
| 311 | Q | 64.6 | Low | 70 | Confident | 125 Ų | 125 | 91.1 Ų | 91.1 | 58% | 0.584 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 174.8 | -75.4 | 177.3 | -3.4 | 0 | 0 | 112.1 | K307 E308 V309 H313 I314 I315 | K307-Q311 WeakPolarHBondContact O-CB 3.45Å; K307-Q311 VanDerWaalsContact O-CG 3.31Å; K307-Q311 WeakPolarHBondContact O-CG 3.35Å; K307-Q311 PolarHBondContact O-N 2.99Å; E308-Q311 PolarHBondContact O-N 2.93Å; V309-Q311 PolarHBondContact O-N 3.15Å; Q311-H313 PolarHBondContact O-N 3.12Å; Q311-I314 PolarHBondContact O-N 3.45Å; Q311-I315 WeakPolarHBondContact O-CG1 3.43Å; Q311-I315 PolarHBondContact O-N 3.26Å |
| 312 | S | 65.6 | Low | 69.9 | Low | 56 Ų | 56 | 91.3 Ų | 91.3 | 39% | 0.392 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 176.3 | -59 | 0 | 0 | 0 | 0 | 111.6 | E308 V309 I314 I315 D316 | E308-S312 WeakPolarHBondContact O-CB 3.41Å; E308-S312 PolarHBondContact O-N 2.85Å; E308-S312 PolarHBondContact O-OG 2.65Å; V309-S312 PolarHBondContact O-N 3.19Å; S312-I314 VanDerWaalsContact C-N 3.34Å; S312-I314 PolarHBondContact O-N 2.91Å; S312-I315 PolarHBondContact O-N 2.65Å; S312-I315 VanDerWaalsContact O-N 3.17Å; S312-D316 PolarHBondContact O-N 2.89Å |
| 313 | H | 71.7 | Confident | 69.2 | Low | 142 Ų | 142 | 92.5 Ų | 92.5 | 66% | 0.657 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64 | -35.6 | 176.8 | -167.2 | -70.6 | 0 | 0 | 0 | 112.8 | V309 A310 Q311 S317 | V309-H313 PolarHBondContact O-N 2.84Å; A310-H313 PolarHBondContact O-N 2.85Å; Q311-H313 PolarHBondContact O-N 3.12Å; H313-S317 WeakPolarHBondContact O-CB 3.42Å; H313-S317 PolarHBondContact O-N 3.36Å |
| 314 | I | 68.4 | Low | 68.4 | Low | 75 Ų | 75 | 95 Ų | 95 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 172.9 | -67.7 | 164.3 | 0 | 0 | 0 | 110.5 | A310 Q311 S312 S317 I318 L361 | A310-I314 WeakPolarHBondContact O-CG1 3.37Å; A310-I314 PolarHBondContact O-N 2.92Å; A310-I314 VanDerWaalsContact O-N 3.12Å; Q311-I314 PolarHBondContact O-N 3.45Å; S312-I314 VanDerWaalsContact C-N 3.34Å; S312-I314 PolarHBondContact O-N 2.91Å; I314-S317 PolarHBondContact O-N 3.03Å; I314-I318 HydrophobicContact CG2-CD1 3.88Å; I314-I318 WeakPolarHBondContact O-CG1 3.35Å; I314-I318 PolarHBondContact O-N 3.22Å; I314-L361 HydrophobicContact CG2-CD2 4.22Å |
| 315 | I | 65.4 | Low | 67.9 | Low | 97 Ų | 97 | 90 Ų | 90 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 178.8 | -69.4 | 164.6 | 0 | 0 | 0 | 111.4 | Q311 S312 I318 R319 | Q311-I315 WeakPolarHBondContact O-CG1 3.43Å; Q311-I315 PolarHBondContact O-N 3.26Å; S312-I315 PolarHBondContact O-N 2.65Å; S312-I315 VanDerWaalsContact O-N 3.17Å; I315-I318 PolarHBondContact O-N 3.36Å; I315-R319 WeakPolarHBondContact O-CB 3.44Å; I315-R319 PolarHBondContact O-N 3.46Å |
| 316 | D | 70.4 | Confident | 67.3 | Low | 79 Ų | 79 | 88.3 Ų | 88.3 | 42% | 0.422 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.1 | -30.9 | 178.1 | -82 | -42.4 | 0 | 0 | 0 | 113 | S312 R319 T320 | S312-D316 PolarHBondContact O-N 2.89Å; D316-R319 PolarHBondContact O-N 3.49Å; D316-R319 IonicContact OD1-CZ 2.69Å; D316-R319 IonicContact OD1-NE 3.2Å; D316-R319 IonicContact OD1-NH1 3.63Å; D316-R319 PolarHBondContact OD1-NH1 3.13Å; D316-T320 WeakPolarHBondContact O-CG2 3.31Å; D316-T320 PolarHBondContact O-N 3.21Å; D316-T320 PolarHBondContact O-OG1 2.98Å; D316-T320 VanDerWaalsContact O-OG1 3.11Å |
| 317 | S | 71.4 | Confident | 66.1 | Low | 37 Ų | 37 | 87.4 Ų | 87.4 | 26% | 0.259 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 170.5 | -167.1 | 0 | 0 | 0 | 0 | 112.9 | H313 I314 T320 E321 | H313-S317 WeakPolarHBondContact O-CB 3.42Å; H313-S317 PolarHBondContact O-N 3.36Å; I314-S317 PolarHBondContact O-N 3.03Å; S317-T320 PolarHBondContact O-OG1 3.02Å; S317-T320 VanDerWaalsContact O-OG1 3.09Å; S317-E321 PolarHBondContact O-N 3.42Å |
| 318 | I | 65.4 | Low | 64.9 | Low | 35 Ų | 35 | 84.1 Ų | 84.1 | 18% | 0.179 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.7 | -41 | 172.5 | -68.7 | 164.1 | 0 | 0 | 0 | 110.3 | I314 I315 E321 F322 I357 L360 L361 | I314-I318 HydrophobicContact CG2-CD1 3.88Å; I314-I318 WeakPolarHBondContact O-CG1 3.35Å; I314-I318 PolarHBondContact O-N 3.22Å; I315-I318 PolarHBondContact O-N 3.36Å; I318-E321 PolarHBondContact O-N 3.37Å; I318-F322 WeakPolarHBondContact O-CB 3.44Å; I318-F322 PolarHBondContact O-N 2.98Å; I318-I357 HydrophobicContact CG2-CD1 4.38Å; I318-I357 HydrophobicContact CG2-CG1 4.36Å; I318-L360 HydrophobicContact CB-CD1 4.46Å; I318-L360 HydrophobicContact CG1-CB 4.11Å; I318-L360 HydrophobicContact CG1-CD1 3.8Å; I318-L361 HydrophobicContact CD1-CD2 3.6Å; I318-L361 HydrophobicContact CD1-CG 3.96Å |
| 319 | R | 69.3 | Low | 64.2 | Low | 162 Ų | 162 | 80.5 Ų | 80.5 | 61% | 0.611 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.7 | -39.2 | 178.3 | 179.3 | -177.2 | -78.9 | 153.1 | -9.4 | 112.5 | I315 D316 K323 | I315-R319 WeakPolarHBondContact O-CB 3.44Å; I315-R319 PolarHBondContact O-N 3.46Å; D316-R319 PolarHBondContact O-N 3.49Å; D316-R319 IonicContact OD1-CZ 2.69Å; D316-R319 IonicContact OD1-NE 3.2Å; D316-R319 IonicContact OD1-NH1 3.63Å; D316-R319 PolarHBondContact OD1-NH1 3.13Å; R319-K323 PolarHBondContact O-N 3.46Å |
| 320 | T | 71.3 | Confident | 63.2 | Low | 82 Ų | 82 | 84 Ų | 84 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71 | -43.5 | 177.1 | 48.9 | 0 | 0 | 0 | 0 | 112 | D316 S317 F322 K323 T324 | D316-T320 WeakPolarHBondContact O-CG2 3.31Å; D316-T320 PolarHBondContact O-N 3.21Å; D316-T320 PolarHBondContact O-OG1 2.98Å; D316-T320 VanDerWaalsContact O-OG1 3.11Å; S317-T320 PolarHBondContact O-OG1 3.02Å; S317-T320 VanDerWaalsContact O-OG1 3.09Å; T320-F322 PolarHBondContact O-N 3.38Å; T320-K323 WeakPolarHBondContact O-CB 3.37Å; T320-K323 PolarHBondContact O-N 2.98Å; T320-K323 VanDerWaalsContact O-N 3.12Å; T320-T324 PolarHBondContact O-N 2.83Å; T320-T324 PolarHBondContact O-OG1 3.16Å |
| 321 | E | 61.4 | Low | 62.1 | Low | 48 Ų | 48 | 89.2 Ų | 89.2 | 22% | 0.224 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 174.4 | -84.5 | -67.7 | 110.8 | 0 | 0 | 113 | S317 I318 K323 T324 L325 R356 L360 | S317-E321 PolarHBondContact O-N 3.42Å; I318-E321 PolarHBondContact O-N 3.37Å; E321-K323 PolarHBondContact O-N 2.79Å; E321-T324 WeakPolarHBondContact CA-OG1 3.39Å; E321-T324 PolarHBondContact O-N 2.99Å; E321-T324 PolarHBondContact O-OG1 3.34Å; E321-T324 PolarHBondContact OE1-OG1 3.39Å; E321-L325 WeakPolarHBondContact O-CB 3.44Å; E321-L325 WeakPolarHBondContact O-CD1 3.36Å; E321-L325 PolarHBondContact O-N 2.97Å; E321-R356 IonicContact OE1-NH1 3.9Å; E321-R356 WeakPolarHBondContact OE2-CD 3.43Å; E321-R356 IonicContact OE2-CZ 2.67Å; E321-R356 IonicContact OE2-NE 2.67Å; E321-R356 IonicContact OE2-NH1 3.63Å; E321-R356 PolarHBondContact OE2-NH1 2.94Å; E321-L360 HydrophobicContact CB-CD1 4.2Å; E321-L360 HydrophobicContact CG-CD1 4.09Å |
| 322 | F | 63.1 | Low | 61.4 | Low | 104 Ų | 104 | 87.3 Ų | 87.3 | 46% | 0.456 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.1 | -33.6 | 174.3 | -159.6 | -104 | 0 | 0 | 0 | 111.9 | I318 T320 I326 C353 I357 | I318-F322 WeakPolarHBondContact O-CB 3.44Å; I318-F322 PolarHBondContact O-N 2.98Å; T320-F322 PolarHBondContact O-N 3.38Å; F322-I326 HydrophobicContact CD1-CD1 3.67Å; F322-I326 HydrophobicContact CE1-CD1 3.33Å; F322-I326 HydrophobicContact CG-CD1 4.48Å; F322-I326 HydrophobicContact CZ-CD1 3.91Å; F322-I326 WeakPolarHBondContact O-CG1 3.29Å; F322-I326 PolarHBondContact O-N 2.97Å; F322-C353 VanDerWaalsContact CD2-SG 3.57Å; F322-I357 HydrophobicContact CD2-CD1 4.27Å |
| 323 | K | 63.6 | Low | 60.6 | Low | 144 Ų | 144 | 87.7 Ų | 87.7 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -72.4 | -43.6 | 175.7 | -168.2 | -178.3 | 177.2 | -171.8 | 0 | 112.2 | R319 T320 E321 L325 I326 E327 | R319-K323 PolarHBondContact O-N 3.46Å; T320-K323 WeakPolarHBondContact O-CB 3.37Å; T320-K323 PolarHBondContact O-N 2.98Å; T320-K323 VanDerWaalsContact O-N 3.12Å; E321-K323 PolarHBondContact O-N 2.79Å; K323-L325 VanDerWaalsContact C-N 3.31Å; K323-L325 PolarHBondContact O-N 3.25Å; K323-I326 PolarHBondContact O-N 3.27Å; K323-E327 PolarHBondContact O-N 2.76Å; K323-E327 VanDerWaalsContact O-N 3.1Å |
| 324 | T | 62.4 | Low | 59.5 | Low | 76 Ų | 76 | 88.6 Ų | 88.6 | 47% | 0.466 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.6 | -30.3 | 178.1 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | T320 E321 P328 | T320-T324 PolarHBondContact O-N 2.83Å; T320-T324 PolarHBondContact O-OG1 3.16Å; E321-T324 WeakPolarHBondContact CA-OG1 3.39Å; E321-T324 PolarHBondContact O-N 2.99Å; E321-T324 PolarHBondContact O-OG1 3.34Å; E321-T324 PolarHBondContact OE1-OG1 3.39Å; T324-P328 WeakPolarHBondContact O-CD 3.44Å |
| 325 | L | 57.7 | Low | 58.6 | Low | 19 Ų | 19 | 92.4 Ų | 92.4 | 10% | 0.099 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -68.6 | -39.9 | 171.4 | -84.7 | 158.4 | 0 | 0 | 0 | 113.5 | E321 K323 L349 H352 C353 | E321-L325 WeakPolarHBondContact O-CB 3.44Å; E321-L325 WeakPolarHBondContact O-CD1 3.36Å; E321-L325 PolarHBondContact O-N 2.97Å; K323-L325 VanDerWaalsContact C-N 3.31Å; K323-L325 PolarHBondContact O-N 3.25Å; L325-L349 HydrophobicContact CD2-CD2 4.28Å; L325-L349 WeakPolarHBondContact O-CD2 3.46Å; L325-H352 HydrophobicContact CD2-CB 4.4Å; L325-C353 HydrophobicContact CD1-CB 3.88Å |
| 326 | I | 57 | Low | 57.7 | Low | 66 Ų | 66 | 95.4 Ų | 95.4 | 34% | 0.338 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -79.8 | -29.5 | -176.7 | -73.7 | 176 | 0 | 0 | 0 | 112.8 | F322 K323 F329 W330 | F322-I326 HydrophobicContact CD1-CD1 3.67Å; F322-I326 HydrophobicContact CE1-CD1 3.33Å; F322-I326 HydrophobicContact CG-CD1 4.48Å; F322-I326 HydrophobicContact CZ-CD1 3.91Å; F322-I326 WeakPolarHBondContact O-CG1 3.29Å; F322-I326 PolarHBondContact O-N 2.97Å; K323-I326 PolarHBondContact O-N 3.27Å; I326-F329 WeakPolarHBondContact O-CA 3.4Å; I326-F329 WeakPolarHBondContact O-CB 3.34Å; I326-F329 PolarHBondContact O-N 2.91Å; I326-W330 PolarHBondContact O-N 2.91Å |
| 327 | E | 52.8 | Low | 56.3 | Low | 83 Ų | 83 | 99.7 Ų | 99.7 | 39% | 0.388 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | -173.6 | -155.7 | 174.8 | 125.5 | 0 | 0 | 114.5 | K323 F329 W330 R331 | K323-E327 PolarHBondContact O-N 2.76Å; K323-E327 VanDerWaalsContact O-N 3.1Å; E327-F329 VanDerWaalsContact C-N 3.33Å; E327-F329 PolarHBondContact O-N 3.05Å; E327-W330 PolarHBondContact O-N 3.24Å; E327-R331 WeakPolarHBondContact O-CG 3.5Å; E327-R331 PolarHBondContact O-N 3.47Å; E327-R331 VanDerWaalsContact O-N 3.15Å; E327-R331 IonicContact OE1-CZ 2.9Å; E327-R331 IonicContact OE1-NE 2.63Å; E327-R331 IonicContact OE1-NH2 2.69Å; E327-R331 PolarHBondContact OE1-NH2 3.05Å |
| 328 | P | 49.8 | Very low | 55.3 | Low | 73 Ų | 73 | 103 Ų | 103 | 47% | 0.474 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 168.8 | -24.7 | 34.9 | 0 | 0 | 0 | 113.3 | T324 R331 L332 | T324-P328 WeakPolarHBondContact O-CD 3.44Å; P328-R331 PolarHBondContact O-N 2.97Å; P328-L332 PolarHBondContact O-N 3.05Å |
| 329 | F | 52.2 | Low | 54.6 | Low | 42 Ų | 42 | 107.6 Ų | 107.6 | 18% | 0.184 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 178 | -168.8 | -116.5 | 0 | 0 | 0 | 111.6 | I326 E327 R331 L332 L333 M342 L345 L349 | I326-F329 WeakPolarHBondContact O-CA 3.4Å; I326-F329 WeakPolarHBondContact O-CB 3.34Å; I326-F329 PolarHBondContact O-N 2.91Å; E327-F329 VanDerWaalsContact C-N 3.33Å; E327-F329 PolarHBondContact O-N 3.05Å; F329-R331 PolarHBondContact O-N 3.46Å; F329-L332 PolarHBondContact O-N 3.46Å; F329-L333 HydrophobicContact CD1-CD1 3.87Å; F329-L333 HydrophobicContact CE1-CD1 3.53Å; F329-L333 HydrophobicContact CE1-CG 4.29Å; F329-L333 HydrophobicContact CZ-CD1 4.16Å; F329-L333 HydrophobicContact CZ-CG 4.48Å; F329-L333 WeakPolarHBondContact O-CB 3.32Å; F329-L333 PolarHBondContact O-N 2.89Å; F329-M342 HydrophobicContact CE2-SD 3.92Å; F329-M342 HydrophobicContact CZ-CE 4.16Å; F329-M342 HydrophobicContact CZ-SD 3.87Å; F329-L345 HydrophobicContact CD2-CD2 3.59Å; F329-L345 HydrophobicContact CE2-CD2 3.94Å; F329-L349 HydrophobicContact CB-CD1 3.68Å; F329-L349 HydrophobicContact CD2-CD1 3.32Å; F329-L349 HydrophobicContact CE2-CD1 4.04Å; F329-L349 HydrophobicContact CG-CD1 3.59Å |
| 330 | W | 51.6 | Low | 53.8 | Low | 167 Ų | 167 | 105 Ų | 105 | 63% | 0.633 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -40.6 | 174.9 | -108.6 | 137.4 | 0 | 0 | 0 | 112.5 | I326 E327 L332 L333 Q334 | I326-W330 PolarHBondContact O-N 2.91Å; E327-W330 PolarHBondContact O-N 3.24Å; W330-L332 VanDerWaalsContact C-N 3.31Å; W330-L332 PolarHBondContact O-N 2.94Å; W330-L333 HydrophobicContact CE3-CB 3.86Å; W330-L333 HydrophobicContact CE3-CD1 4.05Å; W330-L333 HydrophobicContact CZ3-CB 4.07Å; W330-L333 HydrophobicContact CZ3-CD1 3.98Å; W330-L333 PolarHBondContact O-N 3.34Å; W330-Q334 PolarHBondContact O-N 3.44Å; W330-Q334 VanDerWaalsContact O-N 3.17Å |
| 331 | R | 49.6 | Very low | 52.8 | Low | 162 Ų | 162 | 106.5 Ų | 106.5 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.9 | -31.3 | 176.3 | -65 | 174.1 | -169.3 | -163.9 | 4.9 | 112.5 | E327 P328 F329 | E327-R331 WeakPolarHBondContact O-CG 3.5Å; E327-R331 PolarHBondContact O-N 3.47Å; E327-R331 VanDerWaalsContact O-N 3.15Å; E327-R331 IonicContact OE1-CZ 2.9Å; E327-R331 IonicContact OE1-NE 2.63Å; E327-R331 IonicContact OE1-NH2 2.69Å; E327-R331 PolarHBondContact OE1-NH2 3.05Å; P328-R331 PolarHBondContact O-N 2.97Å; F329-R331 PolarHBondContact O-N 3.46Å |
| 332 | L | 48.6 | Very low | 52.1 | Low | 85 Ų | 85 | 107.3 Ų | 107.3 | 45% | 0.445 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.4 | -48.8 | 172.6 | -91 | 158.6 | 0 | 0 | 0 | 112 | P328 F329 W330 Q334 K335 L345 | P328-L332 PolarHBondContact O-N 3.05Å; F329-L332 PolarHBondContact O-N 3.46Å; W330-L332 VanDerWaalsContact C-N 3.31Å; W330-L332 PolarHBondContact O-N 2.94Å; L332-Q334 PolarHBondContact O-N 3.29Å; L332-Q334 VanDerWaalsContact O-N 3.08Å; L332-K335 CarbonylContact O-C 3.6Å; L332-K335 PolarHBondContact O-N 2.88Å; L332-K335 VanDerWaalsContact O-O 3.05Å; L332-L345 HydrophobicContact CD1-CD1 4.03Å; L332-L345 HydrophobicContact CD1-CD2 3.97Å |
| 333 | L | 48.4 | Very low | 51.5 | Low | 63 Ų | 63 | 111.3 Ų | 111.3 | 33% | 0.33 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -54.1 | -28.9 | 175.3 | -107 | 167.5 | 0 | 0 | 0 | 113.3 | F329 W330 K335 M342 | F329-L333 HydrophobicContact CD1-CD1 3.87Å; F329-L333 HydrophobicContact CE1-CD1 3.53Å; F329-L333 HydrophobicContact CE1-CG 4.29Å; F329-L333 HydrophobicContact CZ-CD1 4.16Å; F329-L333 HydrophobicContact CZ-CG 4.48Å; F329-L333 WeakPolarHBondContact O-CB 3.32Å; F329-L333 PolarHBondContact O-N 2.89Å; W330-L333 HydrophobicContact CE3-CB 3.86Å; W330-L333 HydrophobicContact CE3-CD1 4.05Å; W330-L333 HydrophobicContact CZ3-CB 4.07Å; W330-L333 HydrophobicContact CZ3-CD1 3.98Å; W330-L333 PolarHBondContact O-N 3.34Å; L333-K335 VanDerWaalsContact C-N 3.26Å; L333-K335 PolarHBondContact O-N 3.37Å; L333-M342 HydrophobicContact CD2-CE 3.6Å; L333-M342 HydrophobicContact CD2-SD 4.25Å; L333-M342 HydrophobicContact CG-CE 4.04Å; L333-M342 HydrophobicContact CG-SD 4.21Å |
| 334 | Q | 50.7 | Low | 50.9 | Low | 162 Ų | 162 | 107.9 Ų | 107.9 | 76% | 0.757 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -7.9 | 178.8 | -155.3 | 170.7 | 26.3 | 0 | 0 | 113.8 | W330 L332 | W330-Q334 PolarHBondContact O-N 3.44Å; W330-Q334 VanDerWaalsContact O-N 3.17Å; L332-Q334 PolarHBondContact O-N 3.29Å; L332-Q334 VanDerWaalsContact O-N 3.08Å |
| 335 | K | 48.7 | Very low | 50.3 | Low | 154 Ų | 154 | 107.3 Ų | 107.3 | 67% | 0.67 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -118.8 | 97.7 | 170.3 | -70.8 | -173.6 | 176.6 | -175.7 | 0 | 108.9 | L332 L333 Y337 | L332-K335 CarbonylContact O-C 3.6Å; L332-K335 PolarHBondContact O-N 2.88Å; L332-K335 VanDerWaalsContact O-O 3.05Å; L333-K335 VanDerWaalsContact C-N 3.26Å; L333-K335 PolarHBondContact O-N 3.37Å; K335-Y337 VanDerWaalsContact O-CD2 3.32Å; K335-Y337 WeakPolarHBondContact O-CD2 3.49Å; K335-Y337 PolarHBondContact O-N 3.06Å |
| 336 | N | 46.6 | Very low | 50 | Low | 161 Ų | 161 | 110.2 Ų | 110.2 | 86% | 0.861 | 52% | 0.524 | S | S | * | . | trans | -45.4 | 105.6 | -175.3 | -60.7 | -15.7 | 0 | 0 | 0 | 113.3 | ||||
| 337 | Y | 41.1 | Very low | 49.7 | Very low | 168 Ų | 168 | 108.9 Ų | 108.9 | 66% | 0.659 | 52% | 0.523 | S | S | * | . | trans | -124.6 | 161.1 | 171.3 | -89.7 | -77.8 | 0 | 0 | 0 | 110.7 | K335 | K335-Y337 VanDerWaalsContact O-CD2 3.32Å; K335-Y337 WeakPolarHBondContact O-CD2 3.49Å; K335-Y337 PolarHBondContact O-N 3.06Å | ||
| 338 | D | 49.5 | Very low | 49.6 | Very low | 106 Ų | 106 | 107.4 Ų | 107.4 | 57% | 0.567 | 52% | 0.519 | S | S | * | . | trans | -70.9 | 149.7 | -164.7 | -166.8 | 10.2 | 0 | 0 | 0 | 114.1 | N340 Q341 M342 | D338-N340 PolarHBondContact O-N 3.38Å; D338-N340 VanDerWaalsContact O-N 3.09Å; D338-Q341 PolarHBondContact O-N 3.45Å; D338-Q341 VanDerWaalsContact O-N 3.07Å; D338-M342 PolarHBondContact O-N 3.48Å | ||
| 339 | L | 51.7 | Low | 49.7 | Very low | 132 Ų | 132 | 105.7 Ų | 105.7 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.5 | -29.8 | -172.1 | -97.6 | 82.3 | 0 | 0 | 0 | 113.6 | M342 R343 | L339-M342 WeakPolarHBondContact O-CB 3.38Å; L339-M342 PolarHBondContact O-N 3.22Å; L339-R343 PolarHBondContact O-N 2.99Å |
| 340 | N | 51.8 | Low | 49.9 | Very low | 108 Ų | 108 | 107.7 Ų | 107.7 | 58% | 0.578 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.8 | -35.6 | -179.6 | -69.9 | -38.9 | 0 | 0 | 0 | 112.3 | D338 R343 S344 | D338-N340 PolarHBondContact O-N 3.38Å; D338-N340 VanDerWaalsContact O-N 3.09Å; N340-R343 PolarHBondContact O-N 3.25Å; N340-S344 PolarHBondContact O-N 3.44Å |
| 341 | Q | 50.1 | Low | 50.1 | Low | 113 Ų | 113 | 101.5 Ų | 101.5 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.2 | -36.7 | 171 | -68 | -177.4 | -15.4 | 0 | 0 | 111.1 | D338 R343 S344 L345 | D338-Q341 PolarHBondContact O-N 3.45Å; D338-Q341 VanDerWaalsContact O-N 3.07Å; Q341-R343 VanDerWaalsContact C-N 3.29Å; Q341-R343 PolarHBondContact O-N 3.42Å; Q341-S344 PolarHBondContact O-N 2.92Å; Q341-S344 PolarHBondContact O-OG 3.44Å; Q341-L345 VanDerWaalsContact O-CB 3.26Å; Q341-L345 WeakPolarHBondContact O-CB 3.45Å; Q341-L345 PolarHBondContact O-N 3.35Å |
| 342 | M | 47.2 | Very low | 50.4 | Low | 66 Ų | 66 | 99.3 Ų | 99.3 | 33% | 0.325 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -34.9 | 172.6 | -78.3 | -91.1 | -76.8 | 0 | 0 | 112.8 | F329 L333 D338 L339 N346 | F329-M342 HydrophobicContact CE2-SD 3.92Å; F329-M342 HydrophobicContact CZ-CE 4.16Å; F329-M342 HydrophobicContact CZ-SD 3.87Å; L333-M342 HydrophobicContact CD2-CE 3.6Å; L333-M342 HydrophobicContact CD2-SD 4.25Å; L333-M342 HydrophobicContact CG-CE 4.04Å; L333-M342 HydrophobicContact CG-SD 4.21Å; D338-M342 PolarHBondContact O-N 3.48Å; L339-M342 WeakPolarHBondContact O-CB 3.38Å; L339-M342 PolarHBondContact O-N 3.22Å; M342-N346 WeakPolarHBondContact O-CB 3.49Å; M342-N346 PolarHBondContact O-N 3.19Å |
| 343 | R | 51.1 | Low | 50.7 | Low | 188 Ų | 188 | 96.1 Ų | 96.1 | 71% | 0.709 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.1 | -51.2 | 176 | -84.2 | -175.9 | 173.5 | 174.5 | -0.8 | 112.9 | L339 N340 Q341 N346 A347 | L339-R343 PolarHBondContact O-N 2.99Å; N340-R343 PolarHBondContact O-N 3.25Å; Q341-R343 VanDerWaalsContact C-N 3.29Å; Q341-R343 PolarHBondContact O-N 3.42Å; R343-N346 PolarHBondContact O-N 3.41Å; R343-A347 PolarHBondContact O-N 2.9Å |
| 344 | S | 50.5 | Low | 51 | Low | 72 Ų | 72 | 97.7 Ų | 97.7 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 179.6 | 53 | 0 | 0 | 0 | 0 | 111.6 | N340 Q341 N346 A347 V348 | N340-S344 PolarHBondContact O-N 3.44Å; Q341-S344 PolarHBondContact O-N 2.92Å; Q341-S344 PolarHBondContact O-OG 3.44Å; S344-N346 PolarHBondContact O-N 3.04Å; S344-A347 WeakPolarHBondContact O-CB 3.47Å; S344-A347 PolarHBondContact O-N 3.2Å; S344-A347 VanDerWaalsContact O-N 3.16Å; S344-V348 WeakPolarHBondContact O-CG2 3.45Å; S344-V348 PolarHBondContact O-N 3.02Å |
| 345 | L | 49.4 | Very low | 51.4 | Low | 64 Ų | 64 | 91.3 Ų | 91.3 | 34% | 0.335 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.2 | -32.6 | 179.5 | -155.8 | 132.9 | 0 | 0 | 0 | 112.5 | F329 L332 Q341 L349 | F329-L345 HydrophobicContact CD2-CD2 3.59Å; F329-L345 HydrophobicContact CE2-CD2 3.94Å; L332-L345 HydrophobicContact CD1-CD1 4.03Å; L332-L345 HydrophobicContact CD1-CD2 3.97Å; Q341-L345 VanDerWaalsContact O-CB 3.26Å; Q341-L345 WeakPolarHBondContact O-CB 3.45Å; Q341-L345 PolarHBondContact O-N 3.35Å; L345-L349 HydrophobicContact CD2-CD1 3.83Å; L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 WeakPolarHBondContact O-CG 3.48Å; L345-L349 PolarHBondContact O-N 3.18Å |
| 346 | N | 50.8 | Low | 51.8 | Low | 80 Ų | 80 | 88.3 Ų | 88.3 | 43% | 0.428 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.1 | -39 | 169.5 | -178 | 41.6 | 0 | 0 | 0 | 112.1 | M342 R343 S344 L349 N350 | M342-N346 WeakPolarHBondContact O-CB 3.49Å; M342-N346 PolarHBondContact O-N 3.19Å; R343-N346 PolarHBondContact O-N 3.41Å; S344-N346 PolarHBondContact O-N 3.04Å; N346-L349 PolarHBondContact O-N 3.32Å; N346-N350 PolarHBondContact O-N 3.37Å; N346-N350 PolarHBondContact O-ND2 2.98Å; N346-N350 PolarHBondContact OD1-ND2 3.19Å |
| 347 | A | 51.9 | Low | 52.2 | Low | 37 Ų | 37 | 82.6 Ų | 82.6 | 31% | 0.306 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.1 | -51.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R343 S344 L349 N350 I351 | R343-A347 PolarHBondContact O-N 2.9Å; S344-A347 WeakPolarHBondContact O-CB 3.47Å; S344-A347 PolarHBondContact O-N 3.2Å; S344-A347 VanDerWaalsContact O-N 3.16Å; A347-L349 VanDerWaalsContact C-N 3.31Å; A347-L349 PolarHBondContact O-N 3Å; A347-N350 PolarHBondContact O-N 2.95Å; A347-I351 VanDerWaalsContact O-CB 3.3Å; A347-I351 WeakPolarHBondContact O-CB 3.21Å; A347-I351 WeakPolarHBondContact O-CG1 3.43Å; A347-I351 PolarHBondContact O-N 3.24Å |
| 348 | V | 50 | Low | 53.2 | Low | 52 Ų | 52 | 75.2 Ų | 75.2 | 32% | 0.315 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.4 | -38.2 | 177 | 173.5 | 0 | 0 | 0 | 0 | 112.4 | S344 I351 H352 F376 | S344-V348 WeakPolarHBondContact O-CG2 3.45Å; S344-V348 PolarHBondContact O-N 3.02Å; V348-I351 WeakPolarHBondContact O-CB 3.26Å; V348-H352 PolarHBondContact O-N 3.03Å; V348-F376 HydrophobicContact CG2-CB 4.41Å |
| 349 | L | 53 | Low | 53.9 | Low | 37 Ų | 37 | 77.9 Ų | 77.9 | 19% | 0.194 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.9 | -46.4 | 176.5 | -89.5 | 162.9 | 0 | 0 | 0 | 113.2 | L325 F329 L345 N346 A347 I351 H352 C353 | L325-L349 HydrophobicContact CD2-CD2 4.28Å; L325-L349 WeakPolarHBondContact O-CD2 3.46Å; F329-L349 HydrophobicContact CB-CD1 3.68Å; F329-L349 HydrophobicContact CD2-CD1 3.32Å; F329-L349 HydrophobicContact CE2-CD1 4.04Å; F329-L349 HydrophobicContact CG-CD1 3.59Å; L345-L349 HydrophobicContact CD2-CD1 3.83Å; L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 WeakPolarHBondContact O-CG 3.48Å; L345-L349 PolarHBondContact O-N 3.18Å; N346-L349 PolarHBondContact O-N 3.32Å; A347-L349 VanDerWaalsContact C-N 3.31Å; A347-L349 PolarHBondContact O-N 3Å; L349-I351 VanDerWaalsContact C-N 3.29Å; L349-I351 PolarHBondContact O-N 3.46Å; L349-H352 PolarHBondContact O-N 3.21Å; L349-C353 WeakPolarHBondContact O-CB 3.42Å; L349-C353 PolarHBondContact O-N 3.2Å |
| 350 | N | 56.5 | Low | 54.1 | Low | 85 Ų | 85 | 74.4 Ų | 74.4 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 175.8 | -74.2 | -70.9 | 0 | 0 | 0 | 110.5 | N346 A347 C353 I354 | N346-N350 PolarHBondContact O-N 3.37Å; N346-N350 PolarHBondContact O-ND2 2.98Å; N346-N350 PolarHBondContact OD1-ND2 3.19Å; A347-N350 PolarHBondContact O-N 2.95Å; N350-C353 PolarHBondContact O-N 3.03Å; N350-I354 WeakPolarHBondContact O-CB 3.49Å; N350-I354 WeakPolarHBondContact O-CD1 3.43Å; N350-I354 WeakPolarHBondContact O-CG1 3.37Å; N350-I354 PolarHBondContact O-N 3.28Å |
| 351 | I | 55.4 | Low | 54.4 | Low | 37 Ų | 37 | 72.8 Ų | 72.8 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -51.5 | -61.5 | 173 | -87.4 | 171.5 | 0 | 0 | 0 | 111.8 | A347 V348 L349 C353 I354 T355 L373 F376 | A347-I351 VanDerWaalsContact O-CB 3.3Å; A347-I351 WeakPolarHBondContact O-CB 3.21Å; A347-I351 WeakPolarHBondContact O-CG1 3.43Å; A347-I351 PolarHBondContact O-N 3.24Å; V348-I351 WeakPolarHBondContact O-CB 3.26Å; L349-I351 VanDerWaalsContact C-N 3.29Å; L349-I351 PolarHBondContact O-N 3.46Å; I351-C353 VanDerWaalsContact C-N 3.29Å; I351-C353 PolarHBondContact O-N 3.41Å; I351-I354 PolarHBondContact O-N 3.18Å; I351-T355 PolarHBondContact O-N 2.93Å; I351-T355 PolarHBondContact O-OG1 3.41Å; I351-T355 VanDerWaalsContact O-OG1 3.05Å; I351-L373 HydrophobicContact CB-CD2 3.72Å; I351-L373 HydrophobicContact CD1-CD2 4.39Å; I351-L373 HydrophobicContact CG1-CD2 3.66Å; I351-L373 HydrophobicContact CG2-CD2 3.34Å; I351-F376 HydrophobicContact CD1-CB 4.02Å; I351-F376 HydrophobicContact CD1-CD1 4.39Å; I351-F376 HydrophobicContact CD1-CD2 3.33Å; I351-F376 HydrophobicContact CD1-CE2 3.84Å; I351-F376 HydrophobicContact CD1-CG 3.65Å |
| 352 | H | 54.4 | Low | 54.8 | Low | 116 Ų | 116 | 73.6 Ų | 73.6 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.8 | -31.4 | -174.1 | -154.8 | 59.7 | 0 | 0 | 0 | 112.2 | L325 V348 L349 R356 | L325-H352 HydrophobicContact CD2-CB 4.4Å; V348-H352 PolarHBondContact O-N 3.03Å; L349-H352 PolarHBondContact O-N 3.21Å; H352-R356 PolarHBondContact NE2-NH2 2.96Å; H352-R356 WeakPolarHBondContact O-CG 3.36Å; H352-R356 PolarHBondContact O-N 2.79Å |
| 353 | C | 56.8 | Low | 55.2 | Low | 17 Ų | 17 | 75 Ų | 75 | 12% | 0.115 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63 | -49.3 | 173.3 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | F322 L325 L349 N350 I351 T355 R356 I357 | F322-C353 VanDerWaalsContact CD2-SG 3.57Å; L325-C353 HydrophobicContact CD1-CB 3.88Å; L349-C353 WeakPolarHBondContact O-CB 3.42Å; L349-C353 PolarHBondContact O-N 3.2Å; N350-C353 PolarHBondContact O-N 3.03Å; I351-C353 VanDerWaalsContact C-N 3.29Å; I351-C353 PolarHBondContact O-N 3.41Å; C353-T355 PolarHBondContact O-N 3.43Å; C353-R356 PolarHBondContact O-N 2.98Å; C353-I357 WeakPolarHBondContact O-CB 3.16Å; C353-I357 WeakPolarHBondContact O-CG1 3.27Å; C353-I357 PolarHBondContact O-N 3.35Å; C353-I357 VanDerWaalsContact SG-CD1 3.52Å |
| 354 | I | 53.4 | Low | 55.1 | Low | 96 Ų | 96 | 71.5 Ų | 71.5 | 49% | 0.492 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 176.5 | -70.5 | 163.9 | 0 | 0 | 0 | 110.5 | N350 I351 R356 I357 A358 I365 | N350-I354 WeakPolarHBondContact O-CB 3.49Å; N350-I354 WeakPolarHBondContact O-CD1 3.43Å; N350-I354 WeakPolarHBondContact O-CG1 3.37Å; N350-I354 PolarHBondContact O-N 3.28Å; I351-I354 PolarHBondContact O-N 3.18Å; I354-R356 VanDerWaalsContact C-N 3.34Å; I354-R356 PolarHBondContact O-N 3.41Å; I354-I357 PolarHBondContact O-N 2.98Å; I354-A358 VanDerWaalsContact O-CB 3.3Å; I354-A358 WeakPolarHBondContact O-CB 3.49Å; I354-A358 PolarHBondContact O-N 3.43Å; I354-I365 HydrophobicContact CG2-CD1 4.48Å |
| 355 | T | 59.6 | Low | 55 | Low | 28 Ų | 28 | 69.9 Ų | 69.9 | 17% | 0.172 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 179.7 | -44 | 0 | 0 | 0 | 0 | 113 | I351 C353 K359 I365 | I351-T355 PolarHBondContact O-N 2.93Å; I351-T355 PolarHBondContact O-OG1 3.41Å; I351-T355 VanDerWaalsContact O-OG1 3.05Å; C353-T355 PolarHBondContact O-N 3.43Å; T355-K359 WeakPolarHBondContact O-CG 3.32Å; T355-K359 PolarHBondContact O-N 2.71Å; T355-I365 HydrophobicContact CG2-CD1 4.28Å |
| 356 | R | 57.4 | Low | 55 | Low | 91 Ų | 91 | 70.1 Ų | 70.1 | 34% | 0.343 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -76.3 | -42.9 | 177.4 | -70.2 | -165.3 | -175.6 | -157.8 | -2.9 | 113 | E321 H352 C353 I354 A358 K359 L360 | E321-R356 IonicContact OE1-NH1 3.9Å; E321-R356 WeakPolarHBondContact OE2-CD 3.43Å; E321-R356 IonicContact OE2-CZ 2.67Å; E321-R356 IonicContact OE2-NE 2.67Å; E321-R356 IonicContact OE2-NH1 3.63Å; E321-R356 PolarHBondContact OE2-NH1 2.94Å; H352-R356 PolarHBondContact NE2-NH2 2.96Å; H352-R356 WeakPolarHBondContact O-CG 3.36Å; H352-R356 PolarHBondContact O-N 2.79Å; C353-R356 PolarHBondContact O-N 2.98Å; I354-R356 VanDerWaalsContact C-N 3.34Å; I354-R356 PolarHBondContact O-N 3.41Å; R356-A358 VanDerWaalsContact C-N 3.35Å; R356-A358 PolarHBondContact O-N 3.43Å; R356-K359 PolarHBondContact O-N 3.04Å; R356-L360 PolarHBondContact O-N 3.41Å |
| 357 | I | 55.6 | Low | 54.9 | Low | 42 Ų | 42 | 72.7 Ų | 72.7 | 22% | 0.215 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 178.1 | -70.4 | 176.6 | 0 | 0 | 0 | 110.9 | I318 F322 C353 I354 K359 L360 L361 | I318-I357 HydrophobicContact CG2-CD1 4.38Å; I318-I357 HydrophobicContact CG2-CG1 4.36Å; F322-I357 HydrophobicContact CD2-CD1 4.27Å; C353-I357 WeakPolarHBondContact O-CB 3.16Å; C353-I357 WeakPolarHBondContact O-CG1 3.27Å; C353-I357 PolarHBondContact O-N 3.35Å; C353-I357 VanDerWaalsContact SG-CD1 3.52Å; I354-I357 PolarHBondContact O-N 2.98Å; I357-K359 VanDerWaalsContact C-N 3.32Å; I357-K359 PolarHBondContact O-N 3.34Å; I357-L360 PolarHBondContact O-N 2.85Å; I357-L361 HydrophobicContact CG2-CD1 3.71Å; I357-L361 HydrophobicContact CG2-CG 4.33Å; I357-L361 WeakPolarHBondContact O-CB 3.44Å; I357-L361 WeakPolarHBondContact O-CG 3.44Å; I357-L361 PolarHBondContact O-N 2.9Å |
| 358 | A | 61.5 | Low | 55 | Low | 12 Ų | 12 | 76.6 Ų | 76.6 | 10% | 0.099 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I354 R356 L361 T362 I363 I365 | I354-A358 VanDerWaalsContact O-CB 3.3Å; I354-A358 WeakPolarHBondContact O-CB 3.49Å; I354-A358 PolarHBondContact O-N 3.43Å; R356-A358 VanDerWaalsContact C-N 3.35Å; R356-A358 PolarHBondContact O-N 3.43Å; A358-L361 CarbonylContact O-C 3.59Å; A358-L361 PolarHBondContact O-N 3.02Å; A358-T362 PolarHBondContact O-N 3Å; A358-I363 HydrophobicContact CB-CB 4.47Å; A358-I363 PolarHBondContact O-N 2.96Å; A358-I365 HydrophobicContact CB-CD1 3.6Å; A358-I365 HydrophobicContact CB-CG1 3.64Å |
| 359 | K | 64 | Low | 54.8 | Low | 163 Ų | 163 | 76.1 Ų | 76.1 | 71% | 0.709 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 174.1 | -74.7 | 178.6 | 178.8 | -179 | 0 | 112.4 | T355 R356 I357 L361 T362 | T355-K359 WeakPolarHBondContact O-CG 3.32Å; T355-K359 PolarHBondContact O-N 2.71Å; R356-K359 PolarHBondContact O-N 3.04Å; I357-K359 VanDerWaalsContact C-N 3.32Å; I357-K359 PolarHBondContact O-N 3.34Å; K359-L361 VanDerWaalsContact C-N 3.31Å; K359-L361 PolarHBondContact O-N 3.31Å; K359-T362 PolarHBondContact O-N 3.5Å |
| 360 | L | 55.9 | Low | 54.6 | Low | 59 Ų | 59 | 77.2 Ų | 77.2 | 31% | 0.309 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.4 | -35.9 | 174.9 | -79.2 | 174.1 | 0 | 0 | 0 | 113 | I318 E321 R356 I357 T362 | I318-L360 HydrophobicContact CB-CD1 4.46Å; I318-L360 HydrophobicContact CG1-CB 4.11Å; I318-L360 HydrophobicContact CG1-CD1 3.8Å; E321-L360 HydrophobicContact CB-CD1 4.2Å; E321-L360 HydrophobicContact CG-CD1 4.09Å; R356-L360 PolarHBondContact O-N 3.41Å; I357-L360 PolarHBondContact O-N 2.85Å; L360-T362 VanDerWaalsContact C-N 3.33Å |
| 361 | L | 58.5 | Low | 54.3 | Low | 74 Ų | 74 | 78.9 Ų | 78.9 | 39% | 0.387 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -0.5 | 177.5 | -67.8 | 173.6 | 0 | 0 | 0 | 113.6 | I314 I318 I357 A358 K359 I363 | I314-L361 HydrophobicContact CG2-CD2 4.22Å; I318-L361 HydrophobicContact CD1-CD2 3.6Å; I318-L361 HydrophobicContact CD1-CG 3.96Å; I357-L361 HydrophobicContact CG2-CD1 3.71Å; I357-L361 HydrophobicContact CG2-CG 4.33Å; I357-L361 WeakPolarHBondContact O-CB 3.44Å; I357-L361 WeakPolarHBondContact O-CG 3.44Å; I357-L361 PolarHBondContact O-N 2.9Å; A358-L361 CarbonylContact O-C 3.59Å; A358-L361 PolarHBondContact O-N 3.02Å; K359-L361 VanDerWaalsContact C-N 3.31Å; K359-L361 PolarHBondContact O-N 3.31Å; L361-I363 HydrophobicContact CB-CD1 3.69Å; L361-I363 HydrophobicContact CB-CG1 3.79Å; L361-I363 HydrophobicContact CD1-CD1 3.85Å; L361-I363 HydrophobicContact CG-CD1 4.42Å; L361-I363 PolarHBondContact O-N 3.32Å |
| 362 | T | 58.6 | Low | 54 | Low | 129 Ų | 129 | 82.8 Ų | 82.8 | 79% | 0.791 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 28.4 | -172.1 | 58.9 | 0 | 0 | 0 | 0 | 114.6 | A358 K359 L360 | A358-T362 PolarHBondContact O-N 3Å; K359-T362 PolarHBondContact O-N 3.5Å; L360-T362 VanDerWaalsContact C-N 3.33Å |
| 363 | I | 54.5 | Low | 53.5 | Low | 96 Ų | 96 | 78.1 Ų | 78.1 | 49% | 0.492 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 124.1 | 177.7 | -62.4 | 171.7 | 0 | 0 | 0 | 108.7 | A358 L361 I365 | A358-I363 HydrophobicContact CB-CB 4.47Å; A358-I363 PolarHBondContact O-N 2.96Å; L361-I363 HydrophobicContact CB-CD1 3.69Å; L361-I363 HydrophobicContact CB-CG1 3.79Å; L361-I363 HydrophobicContact CD1-CD1 3.85Å; L361-I363 HydrophobicContact CG-CD1 4.42Å; L361-I363 PolarHBondContact O-N 3.32Å; I363-I365 PolarHBondContact O-N 3.41Å |
| 364 | P | 49.6 | Very low | 53.1 | Low | 115 Ų | 115 | 80.2 Ų | 80.2 | 75% | 0.747 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 128.2 | 172.4 | 28.6 | -33.1 | 0 | 0 | 0 | 110.2 | ||
| 365 | I | 48.3 | Very low | 53 | Low | 38 Ų | 38 | 82 Ų | 82 | 20% | 0.195 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 131.4 | 170.1 | -70 | 179.5 | 0 | 0 | 0 | 108.1 | I354 T355 A358 I363 V369 L373 | I354-I365 HydrophobicContact CG2-CD1 4.48Å; T355-I365 HydrophobicContact CG2-CD1 4.28Å; A358-I365 HydrophobicContact CB-CD1 3.6Å; A358-I365 HydrophobicContact CB-CG1 3.64Å; I363-I365 PolarHBondContact O-N 3.41Å; I365-V369 HydrophobicContact CG2-CB 3.69Å; I365-V369 HydrophobicContact CG2-CG1 3.94Å; I365-L373 HydrophobicContact CG2-CD1 4.4Å |
| 366 | P | 48.7 | Very low | 52.2 | Low | 68 Ų | 68 | 85.1 Ų | 85.1 | 44% | 0.442 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 142.2 | 176.2 | -22.5 | 34.1 | 0 | 0 | 0 | 112.7 | H368 V369 T370 | P366-H368 VanDerWaalsContact C-N 3.25Å; P366-H368 VanDerWaalsContact CB-CE1 3.43Å; P366-H368 WeakPolarHBondContact CB-CE1 3.48Å; P366-H368 PolarHBondContact O-N 2.9Å; P366-H368 VanDerWaalsContact O-N 3.1Å; P366-V369 HydrophobicContact CB-CG2 4.43Å; P366-V369 WeakPolarHBondContact O-CA 3.27Å; P366-V369 WeakPolarHBondContact O-CB 3.42Å; P366-V369 PolarHBondContact O-N 2.86Å; P366-T370 PolarHBondContact O-N 2.88Å; P366-T370 PolarHBondContact O-OG1 3.04Å |
| 367 | D | 50.1 | Low | 51.4 | Low | 135 Ų | 135 | 85.6 Ų | 85.6 | 72% | 0.722 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.4 | -27.8 | -170.4 | -63.7 | -68.1 | 0 | 0 | 0 | 115.2 | V369 T370 M371 | D367-V369 VanDerWaalsContact C-N 3.33Å; D367-V369 PolarHBondContact O-N 3.37Å; D367-T370 WeakPolarHBondContact CA-OG1 3.21Å; D367-T370 PolarHBondContact O-N 2.64Å; D367-M371 WeakPolarHBondContact O-CB 3.4Å; D367-M371 PolarHBondContact O-N 3.11Å |
| 368 | H | 53.9 | Low | 50.2 | Low | 118 Ų | 118 | 90.9 Ų | 90.9 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 172.6 | 63 | -96.6 | 0 | 0 | 0 | 112.4 | P366 M371 E372 | P366-H368 VanDerWaalsContact C-N 3.25Å; P366-H368 VanDerWaalsContact CB-CE1 3.43Å; P366-H368 WeakPolarHBondContact CB-CE1 3.48Å; P366-H368 PolarHBondContact O-N 2.9Å; P366-H368 VanDerWaalsContact O-N 3.1Å; H368-M371 PolarHBondContact O-N 2.72Å; H368-E372 PolarHBondContact O-N 2.98Å |
| 369 | V | 44.9 | Very low | 48.6 | Very low | 42 Ų | 42 | 94.8 Ų | 94.8 | 26% | 0.255 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.2 | -40.8 | 175 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | I365 P366 D367 M371 E372 L373 | I365-V369 HydrophobicContact CG2-CB 3.69Å; I365-V369 HydrophobicContact CG2-CG1 3.94Å; P366-V369 HydrophobicContact CB-CG2 4.43Å; P366-V369 WeakPolarHBondContact O-CA 3.27Å; P366-V369 WeakPolarHBondContact O-CB 3.42Å; P366-V369 PolarHBondContact O-N 2.86Å; D367-V369 VanDerWaalsContact C-N 3.33Å; D367-V369 PolarHBondContact O-N 3.37Å; V369-M371 VanDerWaalsContact C-N 3.25Å; V369-M371 PolarHBondContact O-N 2.99Å; V369-E372 PolarHBondContact O-N 3.08Å; V369-L373 HydrophobicContact CG1-CD1 3.98Å; V369-L373 HydrophobicContact CG1-CG 4.26Å; V369-L373 VanDerWaalsContact O-CB 3.31Å; V369-L373 WeakPolarHBondContact O-CB 3.29Å; V369-L373 WeakPolarHBondContact O-CD1 3.47Å; V369-L373 WeakPolarHBondContact O-CG 3.45Å; V369-L373 PolarHBondContact O-N 1.91Å |
| 370 | T | 49.9 | Very low | 46.8 | Very low | 60 Ų | 60 | 94 Ų | 94 | 37% | 0.368 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -29.1 | 175 | -5.9 | 0 | 0 | 0 | 0 | 113.2 | P366 D367 L373 S374 | P366-T370 PolarHBondContact O-N 2.88Å; P366-T370 PolarHBondContact O-OG1 3.04Å; D367-T370 WeakPolarHBondContact CA-OG1 3.21Å; D367-T370 PolarHBondContact O-N 2.64Å; T370-L373 HydrophobicContact CG2-CD1 4.35Å; T370-S374 PolarHBondContact O-N 3.02Å; T370-S374 PolarHBondContact O-OG 3.45Å |
| 371 | M | 50.1 | Low | 45.5 | Very low | 121 Ų | 121 | 96.6 Ų | 96.6 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -78.2 | -30.3 | 174 | -176.3 | 174.5 | 63.8 | 0 | 0 | 113.6 | D367 H368 V369 S374 Q375 | D367-M371 WeakPolarHBondContact O-CB 3.4Å; D367-M371 PolarHBondContact O-N 3.11Å; H368-M371 PolarHBondContact O-N 2.72Å; V369-M371 VanDerWaalsContact C-N 3.25Å; V369-M371 PolarHBondContact O-N 2.99Å; M371-S374 PolarHBondContact O-OG 2.78Å; M371-S374 VanDerWaalsContact O-OG 3.05Å; M371-Q375 PolarHBondContact O-NE2 3.04Å |
| 372 | E | 48 | Very low | 44.2 | Very low | 118 Ų | 118 | 99.2 Ų | 99.2 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.6 | -42.8 | 165.8 | -74 | -174.2 | 163.3 | 0 | 0 | 110.8 | H368 V369 S374 Q375 F376 | H368-E372 PolarHBondContact O-N 2.98Å; V369-E372 PolarHBondContact O-N 3.08Å; E372-S374 VanDerWaalsContact C-N 3.25Å; E372-S374 PolarHBondContact O-N 3.12Å; E372-Q375 WeakPolarHBondContact O-CB 3.45Å; E372-Q375 PolarHBondContact O-N 3.18Å; E372-F376 VanDerWaalsContact O-CD2 3.23Å; E372-F376 WeakPolarHBondContact O-CD2 3.43Å |
| 373 | L | 43.3 | Very low | 42.7 | Very low | 18 Ų | 18 | 99 Ų | 99 | 9% | 0.094 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -55.9 | -36.3 | 179 | -74.5 | 165.1 | 0 | 0 | 0 | 112.6 | I351 I365 V369 T370 Q375 F376 | I351-L373 HydrophobicContact CB-CD2 3.72Å; I351-L373 HydrophobicContact CD1-CD2 4.39Å; I351-L373 HydrophobicContact CG1-CD2 3.66Å; I351-L373 HydrophobicContact CG2-CD2 3.34Å; I365-L373 HydrophobicContact CG2-CD1 4.4Å; V369-L373 HydrophobicContact CG1-CD1 3.98Å; V369-L373 HydrophobicContact CG1-CG 4.26Å; V369-L373 VanDerWaalsContact O-CB 3.31Å; V369-L373 WeakPolarHBondContact O-CB 3.29Å; V369-L373 WeakPolarHBondContact O-CD1 3.47Å; V369-L373 WeakPolarHBondContact O-CG 3.45Å; V369-L373 PolarHBondContact O-N 1.91Å; T370-L373 HydrophobicContact CG2-CD1 4.35Å; L373-Q375 VanDerWaalsContact C-N 3.35Å; L373-F376 PolarHBondContact O-N 3.41Å |
| 374 | S | 49.2 | Very low | 41.4 | Very low | 61 Ų | 61 | 99.6 Ų | 99.6 | 43% | 0.427 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -72.8 | -20.9 | 177 | 55 | 0 | 0 | 0 | 0 | 114.4 | T370 M371 E372 F376 T377 | T370-S374 PolarHBondContact O-N 3.02Å; T370-S374 PolarHBondContact O-OG 3.45Å; M371-S374 PolarHBondContact O-OG 2.78Å; M371-S374 VanDerWaalsContact O-OG 3.05Å; E372-S374 VanDerWaalsContact C-N 3.25Å; E372-S374 PolarHBondContact O-N 3.12Å; S374-F376 PolarHBondContact O-N 2.87Å; S374-T377 PolarHBondContact O-N 3.03Å; S374-T377 PolarHBondContact O-OG1 3.44Å |
| 375 | Q | 50.5 | Low | 40.4 | Very low | 135 Ų | 135 | 101.4 Ų | 101.4 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -69.8 | -17.1 | 175 | -63.2 | 170.6 | 41.6 | 0 | 0 | 112.4 | M371 E372 L373 | M371-Q375 PolarHBondContact O-NE2 3.04Å; E372-Q375 WeakPolarHBondContact O-CB 3.45Å; E372-Q375 PolarHBondContact O-N 3.18Å; L373-Q375 VanDerWaalsContact C-N 3.35Å |
| 376 | F | 43.7 | Very low | 39.4 | Very low | 93 Ų | 93 | 106.9 Ų | 106.9 | 41% | 0.408 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -101.8 | -1.1 | 179.2 | -61.8 | -79.9 | 0 | 0 | 0 | 113.9 | V348 I351 E372 L373 S374 | V348-F376 HydrophobicContact CG2-CB 4.41Å; I351-F376 HydrophobicContact CD1-CB 4.02Å; I351-F376 HydrophobicContact CD1-CD1 4.39Å; I351-F376 HydrophobicContact CD1-CD2 3.33Å; I351-F376 HydrophobicContact CD1-CE2 3.84Å; I351-F376 HydrophobicContact CD1-CG 3.65Å; E372-F376 VanDerWaalsContact O-CD2 3.23Å; E372-F376 WeakPolarHBondContact O-CD2 3.43Å; L373-F376 PolarHBondContact O-N 3.41Å; S374-F376 PolarHBondContact O-N 2.87Å |
| 377 | T | 41.3 | Very low | 38.3 | Very low | 101 Ų | 101 | 113.1 Ų | 113.1 | 62% | 0.62 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -83.5 | -17.6 | 178.3 | 42.1 | 0 | 0 | 0 | 0 | 114.6 | S374 C379 | S374-T377 PolarHBondContact O-N 3.03Å; S374-T377 PolarHBondContact O-OG1 3.44Å; T377-C379 PolarHBondContact O-N 3.15Å |
| 378 | D | 28.7 | Very low | 37.2 | Very low | 152 Ų | 152 | 111.8 Ų | 111.8 | 81% | 0.813 | 62% | 0.62 | S | S | * | * | trans | -80.2 | 45.4 | 175.6 | -71 | -4.8 | 0 | 0 | 0 | 112.2 | D380 | D378-D380 PolarHBondContact O-N 3.34Š| ||
| 379 | C | 28.2 | Very low | 36 | Very low | 95 Ų | 95 | 115 Ų | 115 | 64% | 0.642 | 64% | 0.635 | S | S | * | * | trans | -85.7 | 91.3 | 159.2 | -70.3 | 0 | 0 | 0 | 0 | 107.8 | T377 | T377-C379 PolarHBondContact O-N 3.15Š| ||
| 380 | D | 26 | Very low | 35 | Very low | 147 Ų | 147 | 122 Ų | 122 | 79% | 0.786 | 66% | 0.662 | S | S | * | * | trans | -44.3 | 132.1 | 173.9 | -108.5 | -39.7 | 0 | 0 | 0 | 110.4 | D378 V382 | D378-D380 PolarHBondContact O-N 3.34Å; D380-V382 PolarHBondContact O-N 3.07Å | ||
| 381 | P | 29.8 | Very low | 33.9 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -67.2 | 97.1 | -174.2 | 26.9 | -34 | 0 | 0 | 0 | 109.7 | V383 | P381-V383 PolarHBondContact O-N 3.34Š| ||
| 382 | V | 30.2 | Very low | 32.9 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | trans | -44.8 | 112.7 | -175.1 | 177 | 0 | 0 | 0 | 0 | 109.8 | D380 S384 | D380-V382 PolarHBondContact O-N 3.07Å; V382-S384 PolarHBondContact O-N 3.18Å; V382-S384 PolarHBondContact O-OG 3.11Å | ||
| 383 | V | 27.3 | Very low | 31.8 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 76% | 0.758 | 71% | 0.712 | S | S | * | * | trans | -57.3 | 104.7 | -174.7 | 177.3 | 0 | 0 | 0 | 0 | 108.2 | P381 D385 | P381-V383 PolarHBondContact O-N 3.34Å; V383-D385 VanDerWaalsContact C-N 3.34Å; V383-D385 PolarHBondContact O-N 3.25Å | ||
| 384 | S | 28.8 | Very low | 31.1 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | -79.2 | 91.4 | -177.6 | -18.4 | 0 | 0 | 0 | 0 | 107 | V382 N386 | V382-S384 PolarHBondContact O-N 3.18Å; V382-S384 PolarHBondContact O-OG 3.11Å; S384-N386 PolarHBondContact O-N 2.92Å | ||
| 385 | D | 28.5 | Very low | 29.8 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -61.7 | 84.4 | 169.9 | -100 | -38 | 0 | 0 | 0 | 109.8 | V383 | V383-D385 VanDerWaalsContact C-N 3.34Å; V383-D385 PolarHBondContact O-N 3.25Å | ||
| 386 | N | 27.1 | Very low | 28.6 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -155.1 | 137.3 | 152.6 | -101.5 | -61.3 | 0 | 0 | 0 | 111.1 | S384 | S384-N386 PolarHBondContact O-N 2.92Š| ||
| 387 | K | 25.7 | Very low | 27.6 | Very low | 198 Ų | 198 | 146.8 Ų | 146.8 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -75 | 162.1 | -172.1 | -64 | 158.1 | -177.3 | 167.8 | 0 | 111.1 | ||||
| 388 | S | 25.6 | Very low | 26.7 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 74.8 | 140.6 | -179.6 | 80.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 389 | Q | 28.4 | Very low | 26.4 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | cis | -142.6 | 154.4 | 5.2 | -132.6 | 161.5 | 28.9 | 0 | 0 | 110.5 | ||||
| 390 | K | 24.4 | Very low | 26.2 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -64.3 | 135.8 | 178 | -69.7 | -179.2 | 175.6 | -176.3 | 0 | 111.3 | ||||
| 391 | L | 27.4 | Very low | 26 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -143.6 | 130.4 | 144.6 | -102 | 169.4 | 0 | 0 | 0 | 108.3 | ||||
| 392 | D | 29.5 | Very low | 25.7 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -85.4 | 152.5 | -158.4 | -74.9 | -72 | 0 | 0 | 0 | 115.4 | K394 | D392-K394 PolarHBondContact O-N 3.08Š| ||
| 393 | K | 24.2 | Very low | 25.4 | Very low | 207 Ų | 207 | 146.5 Ų | 146.5 | 90% | 0.9 | 81% | 0.808 | S | S | * | * | trans | -57.8 | 123.2 | 172.5 | -65.1 | 175 | 178.4 | 177.2 | 0 | 111.1 | ||||
| 394 | K | 27.9 | Very low | 25.3 | Very low | 210 Ų | 210 | 147.3 Ų | 147.3 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | -140.2 | 89.1 | 151 | -101 | -176.8 | -178.6 | 176.6 | 0 | 111.4 | D392 | D392-K394 PolarHBondContact O-N 3.08Š| ||
| 395 | A | 23.9 | Very low | 25.1 | Very low | 94 Ų | 94 | 146.4 Ų | 146.4 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | -79.5 | 132.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 396 | S | 24.5 | Very low | 24.8 | Very low | 112 Ų | 112 | 148.8 Ų | 148.8 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -171.4 | 131.5 | 151.7 | -86.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 397 | K | 23.1 | Very low | 24.7 | Very low | 190 Ų | 190 | 146.7 Ų | 146.7 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | 27.5 | 107.3 | 136.7 | -64.3 | 177.7 | -179.8 | -179.5 | 0 | 116.5 | ||||
| 398 | S | 21.7 | Very low | 25 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | 70.4 | 151.5 | 70.3 | 76.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 399 | V | 22.9 | Very low | 24.9 | Very low | 121 Ų | 121 | 147 Ų | 147 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | trans | 101.6 | 102.6 | 173.5 | -176.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 400 | N | 23.5 | Very low | 24.7 | Very low | 133 Ų | 133 | 147.4 Ų | 147.4 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | 55.7 | 100.1 | 140.6 | -55 | 5.2 | 0 | 0 | 0 | 120.4 | S402 | N400-S402 PolarHBondContact O-N 3.15Š| ||
| 401 | S | 21.4 | Very low | 24.7 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | 2.9 | 112.3 | 123.8 | 56.4 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 402 | S | 23.9 | Very low | 24.7 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -135.5 | 133.7 | 152.8 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | N400 V404 | N400-S402 PolarHBondContact O-N 3.15Å; S402-V404 PolarHBondContact O-N 3.12Å | ||
| 403 | T | 23.9 | Very low | 24.7 | Very low | 148 Ų | 148 | 147.9 Ų | 147.9 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | trans | -44.5 | 123.9 | 179.9 | 46.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 404 | V | 25.2 | Very low | 24.7 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -116.9 | 136.3 | 166.4 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | S402 | S402-V404 PolarHBondContact O-N 3.12Š| ||
| 405 | A | 24.7 | Very low | 24.6 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -80.2 | 163.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 406 | K | 22.6 | Very low | 24.5 | Very low | 201 Ų | 201 | 145.3 Ų | 145.3 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -57.2 | 134.4 | 179.7 | -63.6 | 172.6 | 178.6 | 176.2 | 0 | 112 | ||||
| 407 | S | 24.8 | Very low | 24.6 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -128.9 | 155.5 | 160 | 52.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 408 | P | 32.4 | Very low | 24.8 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -85.6 | 157.9 | -149.2 | 31.3 | -36.2 | 0 | 0 | 0 | 116 | ||||
| 409 | K | 23.1 | Very low | 25 | Very low | 185 Ų | 185 | 149.9 Ų | 149.9 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -53 | 148.1 | 173.1 | -64.7 | -179.1 | 175.4 | -175.9 | 0 | 111.8 | ||||
| 410 | K | 24.8 | Very low | 25.1 | Very low | 197 Ų | 197 | 152.3 Ų | 152.3 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | -140.9 | 128.9 | 163.5 | -158.8 | 174.1 | -171.9 | 178.8 | 0 | 109 | ||||
| 411 | D | 24.1 | Very low | 25.2 | Very low | 145 Ų | 145 | 153 Ų | 153 | 78% | 0.775 | 82% | 0.822 | S | S | * | * | trans | -77.3 | 147.5 | -160.5 | -48.9 | -84.2 | 0 | 0 | 0 | 113.9 | ||||
| 412 | F | 27.5 | Very low | 25.4 | Very low | 205 Ų | 205 | 154.7 Ų | 154.7 | 90% | 0.899 | 82% | 0.82 | S | S | * | * | trans | -125.8 | 132.2 | 167 | -98.1 | -90 | 0 | 0 | 0 | 110.2 | ||||
| 413 | N | 28.6 | Very low | 25.3 | Very low | 162 Ų | 162 | 156.7 Ų | 156.7 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -75.5 | 146.6 | -171.9 | -86.7 | -45.9 | 0 | 0 | 0 | 113.1 | ||||
| 414 | K | 23.7 | Very low | 25.4 | Very low | 198 Ų | 198 | 154.8 Ų | 154.8 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -69.2 | 128.9 | 170.9 | -67.3 | 178.7 | 176.5 | 179.7 | 0 | 110.9 | ||||
| 415 | S | 26.7 | Very low | 25.4 | Very low | 105 Ų | 105 | 159.2 Ų | 159.2 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | -111.4 | 119.3 | 159.6 | 51.1 | 0 | 0 | 0 | 0 | 109.1 | E417 | S415-E417 PolarHBondContact O-N 3.29Š| ||
| 416 | N | 22.3 | Very low | 25.5 | Very low | 154 Ų | 154 | 159.3 Ų | 159.3 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -80.6 | 110.1 | 174.4 | -73.9 | -11.7 | 0 | 0 | 0 | 109.6 | ||||
| 417 | E | 26.3 | Very low | 25.6 | Very low | 181 Ų | 181 | 159.3 Ų | 159.3 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -104.8 | 120.2 | 163.6 | -67.9 | -161.6 | 137.1 | 0 | 0 | 109.9 | S415 | S415-E417 PolarHBondContact O-N 3.29Š| ||
| 418 | N | 26.9 | Very low | 25.6 | Very low | 149 Ų | 149 | 159.8 Ų | 159.8 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -74.4 | 128.1 | 179.8 | -78.1 | -40.8 | 0 | 0 | 0 | 110.4 | H420 | N418-H420 PolarHBondContact O-N 3.47Š| ||
| 419 | I | 26.2 | Very low | 25.2 | Very low | 168 Ų | 168 | 158.8 Ų | 158.8 | 86% | 0.862 | 81% | 0.813 | S | S | * | * | trans | -68 | 103.1 | 178.6 | -60.5 | 171.1 | 0 | 0 | 0 | 109.2 | L421 | I419-L421 PolarHBondContact O-N 3.01Š| ||
| 420 | H | 25.5 | Very low | 25.2 | Very low | 171 Ų | 171 | 157.6 Ų | 157.6 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | -70.3 | 125.1 | 176.6 | -113.8 | -90.6 | 0 | 0 | 0 | 111.1 | N418 I422 | N418-H420 PolarHBondContact O-N 3.47Å; H420-I422 PolarHBondContact O-N 3.33Å | ||
| 421 | L | 24.2 | Very low | 25.2 | Very low | 149 Ų | 149 | 155.3 Ų | 155.3 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | -75 | 111.8 | -178.8 | -158.4 | 78.3 | 0 | 0 | 0 | 110.6 | I419 N423 | I419-L421 PolarHBondContact O-N 3.01Å; L421-N423 PolarHBondContact O-N 3.42Å; L421-N423 VanDerWaalsContact O-N 3.08Å | ||
| 422 | I | 25.3 | Very low | 25.3 | Very low | 157 Ų | 157 | 157.2 Ų | 157.2 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -79.9 | 93.3 | -176.7 | -57 | 178.6 | 0 | 0 | 0 | 110.4 | H420 | H420-I422 PolarHBondContact O-N 3.33Š| ||
| 423 | N | 23.2 | Very low | 25.2 | Very low | 148 Ų | 148 | 156.9 Ų | 156.9 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -77 | 123.5 | 165.5 | -87.4 | -24.1 | 0 | 0 | 0 | 110.7 | L421 | L421-N423 PolarHBondContact O-N 3.42Å; L421-N423 VanDerWaalsContact O-N 3.08Å | ||
| 424 | S | 25.2 | Very low | 25 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -138.5 | 153 | 162.7 | 67.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 425 | R | 25.2 | Very low | 25 | Very low | 235 Ų | 235 | 154 Ų | 154 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | cis | -151 | 141.2 | 26.9 | -178.9 | 177.8 | 179.4 | 176.1 | 0.3 | 112.2 | ||||
| 426 | A | 27.3 | Very low | 24.8 | Very low | 91 Ų | 91 | 157.2 Ų | 157.2 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | 41.7 | 110.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 427 | K | 24.2 | Very low | 25 | Very low | 201 Ų | 201 | 159.1 Ų | 159.1 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81 | 152.7 | 134.1 | -80.3 | -174.8 | 174.9 | -177.5 | 0 | 108.8 | ||
| 428 | P | 24.8 | Very low | 24.9 | Very low | 120 Ų | 120 | 155.6 Ų | 155.6 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 149.1 | 177.7 | 29.4 | -35.3 | 0 | 0 | 0 | 112 | ||
| 429 | S | 23.4 | Very low | 24.7 | Very low | 106 Ų | 106 | 156.1 Ų | 156.1 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 128.7 | 177.9 | 48 | 0 | 0 | 0 | 0 | 111.9 | ||
| 430 | I | 25 | Very low | 24.6 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | -121.2 | 104.2 | 162.5 | -62.4 | 177.8 | 0 | 0 | 0 | 106.7 | Q432 | I430-Q432 PolarHBondContact O-N 3.04Š| ||
| 431 | D | 23.4 | Very low | 24.5 | Very low | 149 Ų | 149 | 150.9 Ų | 150.9 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -78.6 | 108 | 176.3 | -77.5 | -57.9 | 0 | 0 | 0 | 110.8 | ||||
| 432 | Q | 26 | Very low | 24.7 | Very low | 185 Ų | 185 | 151.2 Ų | 151.2 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -150.4 | 89.3 | 156.7 | -122.2 | 156.8 | 76 | 0 | 0 | 113.2 | I430 | I430-Q432 PolarHBondContact O-N 3.04Š| ||
| 433 | K | 25.9 | Very low | 24.6 | Very low | 198 Ų | 198 | 152.5 Ų | 152.5 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | 17.6 | 120.5 | 155.5 | -66.1 | -179.1 | 178 | 178.6 | 0 | 118.8 | ||||
| 434 | A | 23.5 | Very low | 24.6 | Very low | 88 Ų | 88 | 151.5 Ų | 151.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -38.2 | 138.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 435 | F | 25.6 | Very low | 24.8 | Very low | 212 Ų | 212 | 151.9 Ų | 151.9 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -98.6 | 104.8 | 140.8 | -90.8 | -93.9 | 0 | 0 | 0 | 107.9 | ||||
| 436 | E | 22.3 | Very low | 24.6 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -73.4 | 125.5 | 162 | -70.1 | -178.9 | 111.4 | 0 | 0 | 108.4 | ||||
| 437 | M | 25.8 | Very low | 24.6 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | trans | -121.7 | 104.8 | 163.8 | -167 | 171.3 | -174.4 | 0 | 0 | 107.7 | ||||
| 438 | D | 24.6 | Very low | 24.6 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 58% | 0.578 | 80% | 0.801 | S | S | * | * | trans | -89.4 | 155.2 | -155.4 | -154.2 | 20.2 | 0 | 0 | 0 | 114.5 | ||||
| 439 | K | 22.7 | Very low | 24.6 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 70% | 0.696 | 81% | 0.808 | S | S | * | * | trans | -2.9 | 137.1 | 165.4 | -61.3 | 155.8 | -161.4 | 80.8 | 0 | 117.4 | ||||
| 440 | S | 24.3 | Very low | 24.7 | Very low | 125 Ų | 125 | 155.8 Ų | 155.8 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | -178.4 | 166.5 | 98.1 | 47.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 441 | S | 23.9 | Very low | 24.7 | Very low | 104 Ų | 104 | 157.7 Ų | 157.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -109.4 | 145.8 | -175.7 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 442 | N | 26.6 | Very low | 24.7 | Very low | 156 Ų | 156 | 156.5 Ų | 156.5 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -152.4 | 117.6 | 149.4 | -89.1 | -49.2 | 0 | 0 | 0 | 108.2 | ||||
| 443 | K | 24.1 | Very low | 24.5 | Very low | 183 Ų | 183 | 152.9 Ų | 152.9 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | 72.1 | 108.7 | 70.3 | -104.1 | -175.4 | 177.1 | 178 | 0 | 115.5 | |||||
| 444 | T | 22.4 | Very low | 24.5 | Very low | 127 Ų | 127 | 151 Ų | 151 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | 54.6 | 114.2 | 144.4 | 50.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 445 | S | 29.1 | Very low | 24.5 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -138.9 | 113.2 | 142.8 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 446 | T | 22.7 | Very low | 24.5 | Very low | 140 Ų | 140 | 148 Ų | 148 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -89.7 | 115.8 | -180 | -12.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 447 | V | 27.1 | Very low | 24.7 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -108.1 | 109.9 | 174.3 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 448 | K | 22.7 | Very low | 24.5 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -70.9 | 146.3 | 165.9 | -64.6 | -178.7 | 180 | -179.1 | 0 | 109.3 | ||||
| 449 | R | 25.7 | Very low | 24.6 | Very low | 242 Ų | 242 | 147.7 Ų | 147.7 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -147.5 | 126.1 | 156.9 | -138.9 | 172.4 | -168.6 | 159.6 | 4.4 | 109 | ||||
| 450 | D | 26.4 | Very low | 24.7 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 152.6 | -160.2 | -55.2 | -81 | 0 | 0 | 0 | 113.1 | ||
| 451 | K | 23.6 | Very low | 24.8 | Very low | 199 Ų | 199 | 146.9 Ų | 146.9 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78 | 125 | 174.6 | -70.7 | -179.2 | 175.7 | -178.4 | 0 | 109.6 | S453 | K451-S453 PolarHBondContact O-N 2.98Š|
| 452 | P | 24.6 | Very low | 24.9 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 118.1 | 162.5 | 29.3 | -31.2 | 0 | 0 | 0 | 109 | ||
| 453 | S | 22 | Very low | 24.8 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 131.4 | 170.5 | 51.4 | 0 | 0 | 0 | 0 | 110.4 | K451 | K451-S453 PolarHBondContact O-N 2.98Š|
| 454 | I | 24.5 | Very low | 24.9 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -127.5 | 134.2 | 163 | -62.1 | -178.6 | 0 | 0 | 0 | 107.3 | ||||
| 455 | N | 24.9 | Very low | 25.1 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -55.8 | 139.1 | -179.6 | -64.7 | 2.1 | 0 | 0 | 0 | 110.3 | ||||
| 456 | S | 24.1 | Very low | 24.9 | Very low | 99 Ų | 99 | 152.6 Ų | 152.6 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | cis | 69.3 | 89.4 | 45.3 | 87.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 457 | D | 27.2 | Very low | 25 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -124.7 | 141.9 | 153.5 | -98.2 | -46.7 | 0 | 0 | 0 | 108.9 | ||||
| 458 | K | 21.9 | Very low | 24.9 | Very low | 153 Ų | 153 | 156.1 Ų | 156.1 | 67% | 0.665 | 80% | 0.803 | S | S | * | * | trans | -89.7 | 145 | -179.9 | -85.1 | 167.7 | 146.6 | -92.1 | 0 | 110.5 | D460 | K458-D460 IonicContact NZ-OD1 2.8Å; K458-D460 PolarHBondContact NZ-OD1 3.19Å; K458-D460 IonicContact NZ-OD2 3.87Å; K458-D460 PolarHBondContact NZ-OD2 3.04Å | ||
| 459 | V | 26.2 | Very low | 25.1 | Very low | 139 Ų | 139 | 154.7 Ų | 154.7 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -129.4 | 109.6 | 141.9 | -178.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 460 | D | 24.2 | Very low | 25.2 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 61% | 0.61 | 79% | 0.793 | S | S | * | * | trans | -77.5 | 134 | 174.4 | -64.9 | -56.6 | 0 | 0 | 0 | 109.2 | K458 | K458-D460 IonicContact NZ-OD1 2.8Å; K458-D460 PolarHBondContact NZ-OD1 3.19Å; K458-D460 IonicContact NZ-OD2 3.87Å; K458-D460 PolarHBondContact NZ-OD2 3.04Å | ||
| 461 | L | 27.4 | Very low | 25.2 | Very low | 154 Ų | 154 | 151.9 Ų | 151.9 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -145.8 | 89.1 | 167.2 | -99.7 | 175.7 | 0 | 0 | 0 | 109.7 | ||||
| 462 | D | 25.1 | Very low | 25.3 | Very low | 151 Ų | 151 | 149.3 Ų | 149.3 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | 31.7 | 139.8 | 157.2 | -56.9 | -33 | 0 | 0 | 0 | 123.2 | ||||
| 463 | E | 25.4 | Very low | 25.3 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -90.1 | 111.2 | -171.7 | 176 | -180 | -148 | 0 | 0 | 113.1 | ||||
| 464 | F | 26.4 | Very low | 25.5 | Very low | 216 Ų | 216 | 150.1 Ų | 150.1 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | trans | -153.5 | 132.1 | 158.5 | -85 | -81.8 | 0 | 0 | 0 | 109.2 | ||||
| 465 | G | 25.3 | Very low | 25.6 | Very low | 62 Ų | 62 | 148.4 Ų | 148.4 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | cis | 175.9 | 109.2 | -9.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 466 | Q | 25.7 | Very low | 25.6 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | 61.2 | 119.1 | 173.8 | -63.6 | -176.4 | -11 | 0 | 0 | 117.9 | ||||
| 467 | D | 25.1 | Very low | 25.6 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -60.1 | 130.8 | 169.7 | -51.9 | -97.7 | 0 | 0 | 0 | 112 | I469 | D467-I469 PolarHBondContact O-N 3.01Š| ||
| 468 | E | 25.1 | Very low | 25.5 | Very low | 190 Ų | 190 | 150.4 Ų | 150.4 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -64.2 | 111.1 | 159.7 | -80.8 | -158.4 | 120.7 | 0 | 0 | 108.7 | I470 | E468-I470 PolarHBondContact O-N 3.46Š| ||
| 469 | I | 27.4 | Very low | 25.7 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -59.1 | 108.4 | -178.7 | -62.8 | 172.9 | 0 | 0 | 0 | 108.9 | D467 K471 | D467-I469 PolarHBondContact O-N 3.01Å; I469-K471 PolarHBondContact O-N 3.38Å | ||
| 470 | I | 25.9 | Very low | 25.7 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | -54.8 | 106.5 | 175.4 | -61.9 | 173.7 | 0 | 0 | 0 | 108.3 | E468 N472 | E468-I470 PolarHBondContact O-N 3.46Å; I470-N472 PolarHBondContact O-N 3.25Å; I470-N472 PolarHBondContact O-ND2 3.43Å | ||
| 471 | K | 26.4 | Very low | 25.7 | Very low | 183 Ų | 183 | 152.9 Ų | 152.9 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -66.7 | 98.7 | 171.4 | -73.4 | 178.7 | -179.8 | 171.3 | 0 | 107.8 | I469 D473 | I469-K471 PolarHBondContact O-N 3.38Å; K471-D473 VanDerWaalsContact C-N 3.28Å; K471-D473 PolarHBondContact O-N 2.9Å | ||
| 472 | N | 26.2 | Very low | 25.6 | Very low | 144 Ų | 144 | 153 Ų | 153 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -70 | 90.8 | 167.3 | -66.6 | -75.4 | 0 | 0 | 0 | 107.5 | I470 | I470-N472 PolarHBondContact O-N 3.25Å; I470-N472 PolarHBondContact O-ND2 3.43Å | ||
| 473 | D | 24.7 | Very low | 25.6 | Very low | 144 Ų | 144 | 153.1 Ų | 153.1 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 127.4 | 172.5 | -75.4 | -38 | 0 | 0 | 0 | 109.1 | K471 | K471-D473 VanDerWaalsContact C-N 3.28Å; K471-D473 PolarHBondContact O-N 2.9Å |
| 474 | P | 27.1 | Very low | 25.4 | Very low | 106 Ų | 106 | 153.1 Ų | 153.1 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 146.6 | -173 | 27.3 | -34.3 | 0 | 0 | 0 | 110.9 | C476 | P474-C476 PolarHBondContact O-N 3.24Š|
| 475 | P | 26.8 | Very low | 25.4 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 129.4 | -179.7 | 26.7 | -34.4 | 0 | 0 | 0 | 110.2 | E477 | P475-E477 PolarHBondContact O-N 2.92Š|
| 476 | C | 23.1 | Very low | 25.4 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 127.6 | -176.3 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | P474 I478 | P474-C476 PolarHBondContact O-N 3.24Å; C476-I478 PolarHBondContact O-N 3.11Å |
| 477 | E | 24.4 | Very low | 25.3 | Very low | 172 Ų | 172 | 150.8 Ų | 150.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 128 | 173 | -77.4 | -166.8 | 96 | 0 | 0 | 109.9 | P475 D479 | P475-E477 PolarHBondContact O-N 2.92Å; E477-D479 PolarHBondContact O-N 3.11Å |
| 478 | I | 26.1 | Very low | 25.2 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -74 | 107.2 | 169.8 | -61.2 | 171.8 | 0 | 0 | 0 | 106.1 | C476 K480 | C476-I478 PolarHBondContact O-N 3.11Å; I478-K480 PolarHBondContact O-N 2.95Å | ||
| 479 | D | 26.3 | Very low | 25.2 | Very low | 149 Ų | 149 | 145 Ų | 145 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -47 | 113.8 | 178.9 | -96.7 | -40.7 | 0 | 0 | 0 | 110.7 | E477 V481 | E477-D479 PolarHBondContact O-N 3.11Å; D479-V481 VanDerWaalsContact C-N 3.34Å; D479-V481 PolarHBondContact O-N 3.4Å | ||
| 480 | K | 25.2 | Very low | 25.1 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | trans | -73.4 | 91.9 | 176.4 | -69.9 | 168.2 | -172.6 | 144.1 | 0 | 107.8 | I478 E482 | I478-K480 PolarHBondContact O-N 2.95Å; K480-E482 PolarHBondContact O-N 3.03Å | ||
| 481 | V | 25.5 | Very low | 25 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | trans | -61.2 | 92.2 | 165.9 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | D479 L483 | D479-V481 VanDerWaalsContact C-N 3.34Å; D479-V481 PolarHBondContact O-N 3.4Å; V481-L483 PolarHBondContact O-N 2.87Å; V481-L483 VanDerWaalsContact O-N 3.14Å | ||
| 482 | E | 24.6 | Very low | 24.9 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | trans | -69.4 | 110.2 | -177.8 | -167.1 | 175.9 | -170 | 0 | 0 | 108.5 | K480 M484 | K480-E482 PolarHBondContact O-N 3.03Å; E482-M484 PolarHBondContact O-N 2.96Å | ||
| 483 | L | 24.4 | Very low | 24.8 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -71.7 | 91.4 | -171.6 | -149.6 | 93.8 | 0 | 0 | 0 | 109.9 | V481 S485 | V481-L483 PolarHBondContact O-N 2.87Å; V481-L483 VanDerWaalsContact O-N 3.14Å; L483-S485 PolarHBondContact O-N 2.82Å | ||
| 484 | M | 22.8 | Very low | 24.7 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -68.2 | 96.7 | 173.9 | -74.6 | -166.2 | 66.3 | 0 | 0 | 110.2 | E482 | E482-M484 PolarHBondContact O-N 2.96Š| ||
| 485 | S | 24.5 | Very low | 24.6 | Very low | 81 Ų | 81 | 147.8 Ų | 147.8 | 57% | 0.566 | 80% | 0.804 | S | S | * | * | trans | -77.8 | 157.8 | 172.1 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | L483 | L483-S485 PolarHBondContact O-N 2.82Š| ||
| 486 | D | 25.3 | Very low | 24.5 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 67% | 0.674 | 80% | 0.802 | S | S | * | * | trans | 63.1 | 93.4 | 156 | -43.2 | -47.5 | 0 | 0 | 0 | 118.7 | ||||
| 487 | Y | 25.4 | Very low | 24.6 | Very low | 216 Ų | 216 | 145.2 Ų | 145.2 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -154.1 | 72.4 | 136.1 | -95.2 | -62.5 | 0 | 0 | 0 | 111.4 | S489 | Y487-S489 VanDerWaalsContact C-N 3.3Å; Y487-S489 PolarHBondContact O-N 2.95Å | ||
| 488 | S | 23 | Very low | 24.5 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -80.2 | 70.3 | 173.2 | -59 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 489 | S | 24.6 | Very low | 24.3 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -78.2 | 120.3 | 171 | 52.3 | 0 | 0 | 0 | 0 | 111.3 | Y487 E491 | Y487-S489 VanDerWaalsContact C-N 3.3Å; Y487-S489 PolarHBondContact O-N 2.95Å; S489-E491 PolarHBondContact O-N 3.35Å | ||
| 490 | S | 24.8 | Very low | 24.2 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -83.6 | 104.7 | -169.3 | -43.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 491 | E | 22.9 | Very low | 24.2 | Very low | 202 Ų | 202 | 144.5 Ų | 144.5 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | trans | -99.2 | 91 | 162 | -76.2 | -158.8 | 123.7 | 0 | 0 | 111 | S489 | S489-E491 PolarHBondContact O-N 3.35Š| ||
| 492 | S | 24.8 | Very low | 24.2 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -122.9 | 87.9 | 178.5 | 164.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 493 | S | 25.3 | Very low | 24.1 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 175.4 | 87.3 | 148.7 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 494 | R | 22.7 | Very low | 24.1 | Very low | 254 Ų | 254 | 143.9 Ų | 143.9 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | -159.4 | 68.7 | 158 | -129.9 | 175.4 | -172.5 | -174.7 | 2 | 116.6 | ||||
| 495 | C | 23.1 | Very low | 24.3 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -147.7 | 122.1 | 149.8 | -144.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 496 | G | 25 | Very low | 24.4 | Very low | 74 Ų | 74 | 143.1 Ų | 143.1 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -80.7 | 124.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L498 | G496-L498 PolarHBondContact O-N 3.48Å; G496-L498 VanDerWaalsContact O-N 3.13Å | ||
| 497 | S | 25 | Very low | 24.5 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -66.1 | 107.3 | 169.4 | -53.7 | 0 | 0 | 0 | 0 | 110.1 | K499 | S497-K499 PolarHBondContact O-N 3.12Š| ||
| 498 | L | 23.1 | Very low | 24.6 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -66.1 | 102.8 | 168.1 | -75.8 | 166.6 | 0 | 0 | 0 | 108.6 | G496 F500 | G496-L498 PolarHBondContact O-N 3.48Å; G496-L498 VanDerWaalsContact O-N 3.13Å; L498-F500 PolarHBondContact O-N 2.72Å | ||
| 499 | K | 23 | Very low | 25 | Very low | 202 Ų | 202 | 137 Ų | 137 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 120.7 | 170.7 | -76.9 | -169.9 | 172.1 | -169.7 | 0 | 109.2 | S497 | S497-K499 PolarHBondContact O-N 3.12Š|
| 500 | F | 23.6 | Very low | 25.2 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 79% | 0.789 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -81 | 139.2 | 157.7 | -72.1 | -95.9 | 0 | 0 | 0 | 107.9 | L498 | L498-F500 PolarHBondContact O-N 2.72Š|
| 501 | P | 25.3 | Very low | 25.4 | Very low | 108 Ų | 108 | 142 Ų | 142 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 122.4 | 175 | 30.8 | -31.5 | 0 | 0 | 0 | 110.1 | ||
| 502 | D | 24.5 | Very low | 25.9 | Very low | 159 Ų | 159 | 140 Ų | 140 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 136.2 | 168.2 | -73 | -60.8 | 0 | 0 | 0 | 110.5 | ||
| 503 | I | 23.7 | Very low | 26 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -121.1 | 80 | 180 | -53.1 | 177.3 | 0 | 0 | 0 | 108.3 | ||||
| 504 | S | 24.7 | Very low | 26.2 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -106.4 | 119.4 | 167.6 | 57.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 505 | S | 26.5 | Very low | 26.3 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -52.3 | 132.3 | -178.8 | 50.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 506 | S | 25.8 | Very low | 26.4 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -134.9 | 157.1 | 158.4 | 50.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 507 | S | 27.2 | Very low | 26.4 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -111.5 | 156.8 | -166.6 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 508 | S | 28.4 | Very low | 26.3 | Very low | 89 Ų | 89 | 139.2 Ų | 139.2 | 62% | 0.622 | 79% | 0.794 | S | S | * | * | trans | 57.9 | 110.2 | 156.1 | 56.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 509 | D | 30.5 | Very low | 26.3 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | 59.5 | 101.7 | 125.7 | -40.3 | -28.7 | 0 | 0 | 0 | 119.1 | |||||
| 510 | H | 29.5 | Very low | 26.3 | Very low | 180 Ų | 180 | 134.5 Ų | 134.5 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | -172.1 | 149.5 | 99.2 | -107.4 | -70.5 | 0 | 0 | 0 | 113.2 | |||||
| 511 | D | 29.6 | Very low | 26.3 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -73.5 | 135.2 | 161.3 | -38.3 | -99.2 | 0 | 0 | 0 | 110.6 | ||||
| 512 | D | 31.9 | Very low | 26.5 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | -171.1 | 160.4 | 116.1 | -132.2 | -32.7 | 0 | 0 | 0 | 111.6 | |||||
| 513 | D | 28.4 | Very low | 26.6 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -79.9 | 134.7 | 178.3 | -82.1 | -53.1 | 0 | 0 | 0 | 112.4 | ||||
| 514 | G | 28.4 | Very low | 26.8 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | trans | -162 | 113.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 515 | D | 24.7 | Very low | 27 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 95% | 0.952 | 78% | 0.778 | S | S | * | * | trans | -82.6 | 157.5 | 173.2 | -172.5 | 17.6 | 0 | 0 | 0 | 112 | ||||
| 516 | G | 25.8 | Very low | 27 | Very low | 52 Ų | 52 | 137 Ų | 137 | 54% | 0.536 | 77% | 0.768 | S | S | . | * | trans | 110.9 | 84.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 517 | T | 25.2 | Very low | 27.1 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | 38.9 | 120.9 | 134.7 | 55.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 518 | F | 22.3 | Very low | 27.2 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 80% | 0.803 | 76% | 0.763 | S | S | * | * | trans | 49.6 | 108.2 | 140.7 | -75.6 | -91.7 | 0 | 0 | 0 | 120.3 | ||||
| 519 | N | 23.7 | Very low | 27.1 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | 176.9 | 146.4 | 99.6 | -98.4 | -42.9 | 0 | 0 | 0 | 116.4 | |||||
| 520 | N | 22.7 | Very low | 26.9 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | trans | 58.4 | 127.4 | 141.2 | -62.1 | -25 | 0 | 0 | 0 | 123.7 | ||||
| 521 | N | 23.6 | Very low | 27.1 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | 63.2 | 113.1 | 132.9 | -59.5 | -12 | 0 | 0 | 0 | 121.9 | ||||
| 522 | D | 29.8 | Very low | 27 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | -166.1 | 167 | 122.4 | -99.7 | -24 | 0 | 0 | 0 | 107.6 | |||||
| 523 | K | 27.1 | Very low | 26.9 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | cis | 165.5 | 112.7 | -31.5 | -106.4 | -156.6 | -151.6 | 89.2 | 0 | 105.6 | ||||
| 524 | N | 26.4 | Very low | 26.9 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | 32.4 | 117.3 | 144.7 | -60.7 | 2.2 | 0 | 0 | 0 | 121.5 | ||||
| 525 | K | 30 | Very low | 26.9 | Very low | 203 Ų | 203 | 136.5 Ų | 136.5 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | -158.4 | 115.7 | 133.9 | -103.2 | 169.2 | -177.6 | 175.6 | 0 | 107.9 | ||||
| 526 | S | 25.5 | Very low | 26.9 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | cis | 100.5 | 132.8 | 15.5 | 84.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 527 | S | 28.1 | Very low | 27.2 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | 74.8 | 150.7 | 168.9 | 88.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 528 | N | 28.8 | Very low | 27.2 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | cis | -169 | -175.2 | -6.5 | -115.6 | 33 | 0 | 0 | 0 | 108.1 | ||||
| 529 | T | 26.6 | Very low | 27.2 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 61% | 0.607 | 75% | 0.748 | S | S | * | * | cis | 172.6 | 152.8 | -35.6 | 44.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 530 | N | 27.5 | Very low | 27.2 | Very low | 131 Ų | 131 | 138 Ų | 138 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | -166.7 | -178.4 | -3 | -130.3 | 65 | 0 | 0 | 0 | 110.3 | ||||
| 531 | N | 32.1 | Very low | 27.3 | Very low | 125 Ų | 125 | 142 Ų | 142 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | trans | 73.2 | 136.3 | 156.8 | -62.3 | -3.4 | 0 | 0 | 0 | 117.7 | ||||
| 532 | N | 27.5 | Very low | 27.4 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | cis | 94.7 | 120.9 | 35.9 | -75.5 | 14.3 | 0 | 0 | 0 | 113.5 | ||||
| 533 | D | 31.7 | Very low | 27.3 | Very low | 154 Ų | 154 | 143 Ų | 143 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | -177.5 | 171.4 | 105.4 | -92.4 | -24.2 | 0 | 0 | 0 | 113.1 | |||||
| 534 | N | 27.5 | Very low | 27.2 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -74.6 | 167.9 | 175.6 | -62.8 | -38.2 | 0 | 0 | 0 | 110.8 | ||||
| 535 | D | 28.3 | Very low | 27.2 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | -172.6 | -177.8 | 53.5 | -136.4 | -48.1 | 0 | 0 | 0 | 113.8 | |||||
| 536 | N | 25.6 | Very low | 27 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -72.2 | 139.2 | 179.1 | -62.5 | -90.2 | 0 | 0 | 0 | 112.9 | ||||
| 537 | N | 31.5 | Very low | 27 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | -150.2 | 162.3 | 145.3 | -144.7 | -17.9 | 0 | 0 | 0 | 112.5 | ||||
| 538 | N | 24.2 | Very low | 27 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -117.5 | 126.1 | -159.7 | -177.3 | 28.5 | 0 | 0 | 0 | 113.2 | ||||
| 539 | G | 22.3 | Very low | 26.9 | Very low | 68 Ų | 68 | 143.3 Ų | 143.3 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 73.9 | 128.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 540 | N | 24.7 | Very low | 26.7 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | -161.7 | 168 | 96.6 | -154.7 | -0.4 | 0 | 0 | 0 | 111 | |||||
| 541 | Y | 24.3 | Very low | 26.7 | Very low | 208 Ų | 208 | 142.5 Ų | 142.5 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -86.4 | 173.6 | 177.5 | -94.2 | -105.4 | 0 | 0 | 0 | 113.3 | ||||
| 542 | N | 25 | Very low | 26.4 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 76.1 | 105.9 | 164.5 | -55.3 | -18.1 | 0 | 0 | 0 | 118 | ||||
| 543 | N | 28.6 | Very low | 26.1 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | -168.6 | 130.5 | 95.8 | -95.7 | -52.6 | 0 | 0 | 0 | 112.3 | |||||
| 544 | D | 25.5 | Very low | 25.9 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -75.1 | 141.2 | 164.9 | -66.1 | -79 | 0 | 0 | 0 | 111.7 | ||||
| 545 | K | 26.2 | Very low | 25.9 | Very low | 204 Ų | 204 | 147.1 Ų | 147.1 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | 168.6 | 150.2 | 146.1 | -93.9 | 150 | -171.8 | 173.1 | 0 | 110.7 | ||||
| 546 | A | 24.6 | Very low | 25.7 | Very low | 87 Ų | 87 | 148.6 Ų | 148.6 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | cis | -173 | 119.2 | -27.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 547 | S | 25.2 | Very low | 25.6 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -169.9 | 77.7 | 164 | 57.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 548 | P | 29.5 | Very low | 25.3 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -75.6 | 127.9 | 169.6 | 31.2 | -31.6 | 0 | 0 | 0 | 110.3 | S550 | P548-S550 PolarHBondContact O-N 3.05Š| ||
| 549 | E | 25.4 | Very low | 25.2 | Very low | 197 Ų | 197 | 146.6 Ų | 146.6 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -73.8 | 113.6 | 170 | -67.9 | -174.9 | 130.4 | 0 | 0 | 109.4 | S551 | E549-S551 PolarHBondContact O-N 2.74Š| ||
| 550 | S | 24.1 | Very low | 25.3 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -79.4 | 103.4 | -175.8 | 55 | 0 | 0 | 0 | 0 | 112.1 | P548 | P548-S550 PolarHBondContact O-N 3.05Š| ||
| 551 | S | 26.2 | Very low | 25.2 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -75.7 | 115.8 | 158.9 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | E549 D553 | E549-S551 PolarHBondContact O-N 2.74Å; S551-D553 PolarHBondContact O-N 2.9Å | ||
| 552 | E | 25.3 | Very low | 25.2 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -69.4 | 114.1 | -177 | -65.5 | 176.2 | 114 | 0 | 0 | 112.4 | I554 | E552-I554 HydrophobicContact CB-CG1 4.42Å; E552-I554 PolarHBondContact O-N 3.26Å | ||
| 553 | D | 22.7 | Very low | 25 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -72.7 | 85.9 | 171.7 | -84.4 | -48.6 | 0 | 0 | 0 | 111.3 | S551 | S551-D553 PolarHBondContact O-N 2.9Š| ||
| 554 | I | 26 | Very low | 24.8 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | trans | -97.5 | 88.3 | 168.5 | -54.8 | 178.8 | 0 | 0 | 0 | 109.2 | E552 | E552-I554 HydrophobicContact CB-CG1 4.42Å; E552-I554 PolarHBondContact O-N 3.26Å | ||
| 555 | F | 28.5 | Very low | 24.7 | Very low | 203 Ų | 203 | 141.8 Ų | 141.8 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | 173.3 | 75.1 | 136 | -93.2 | -60.8 | 0 | 0 | 0 | 110.2 | ||||
| 556 | Q | 23.8 | Very low | 24.5 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -80.6 | 148.2 | 175.7 | -145.6 | 170.5 | 5.3 | 0 | 0 | 111.4 | ||||
| 557 | D | 24.5 | Very low | 24.5 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | trans | 42.4 | 109.1 | 164.7 | -71 | -52.8 | 0 | 0 | 0 | 120.9 | N559 | D557-N559 PolarHBondContact OD1-ND2 2.97Š| ||
| 558 | Q | 25 | Very low | 24.4 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -138.4 | 71.8 | 133.1 | -121.4 | 176.2 | 38.7 | 0 | 0 | 111.3 | V560 | Q558-V560 VanDerWaalsContact C-N 3.26Å; Q558-V560 PolarHBondContact O-N 3.34Å | ||
| 559 | N | 21.7 | Very low | 24 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -67.7 | 76.9 | 170.7 | -86.1 | -54.4 | 0 | 0 | 0 | 111.3 | D557 I561 | D557-N559 PolarHBondContact OD1-ND2 2.97Å; N559-I561 PolarHBondContact O-N 3.27Å | ||
| 560 | V | 25.1 | Very low | 23.9 | Very low | 106 Ų | 106 | 142 Ų | 142 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | trans | -84.1 | 90.7 | 171.9 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | Q558 I562 | Q558-V560 VanDerWaalsContact C-N 3.26Å; Q558-V560 PolarHBondContact O-N 3.34Å; V560-I562 HydrophobicContact CG1-CG1 4.17Å; V560-I562 PolarHBondContact O-N 3.29Å | ||
| 561 | I | 21.8 | Very low | 23.8 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | trans | -66.1 | 102.6 | 175.4 | -61 | 172.3 | 0 | 0 | 0 | 109.2 | N559 Q563 | N559-I561 PolarHBondContact O-N 3.27Å; I561-Q563 HydrophobicContact CG2-CG 3.79Å | ||
| 562 | I | 23.6 | Very low | 23.7 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | trans | -100.6 | 90.4 | 164 | -56.9 | -176.2 | 0 | 0 | 0 | 107.7 | V560 S564 | V560-I562 HydrophobicContact CG1-CG1 4.17Å; V560-I562 PolarHBondContact O-N 3.29Å; I562-S564 PolarHBondContact O-N 2.88Å; I562-S564 VanDerWaalsContact O-N 3.08Å | ||
| 563 | Q | 21.8 | Very low | 23.6 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -71.1 | 93.5 | 167.5 | -80.5 | 171.1 | -18 | 0 | 0 | 109.7 | I561 | I561-Q563 HydrophobicContact CG2-CG 3.79Š| ||
| 564 | S | 23.2 | Very low | 23.6 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 123.8 | 154.1 | 35.8 | 0 | 0 | 0 | 0 | 108.3 | I562 | I562-S564 PolarHBondContact O-N 2.88Å; I562-S564 VanDerWaalsContact O-N 3.08Å |
| 565 | P | 24.6 | Very low | 23.5 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 142.9 | -168.8 | 27.5 | -34.9 | 0 | 0 | 0 | 112.4 | H567 | P565-H567 PolarHBondContact O-N 3.07Š|
| 566 | L | 22.5 | Very low | 23.2 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 126.3 | 168.5 | -82 | 80.6 | 0 | 0 | 0 | 109.6 | Q568 | L566-Q568 PolarHBondContact O-N 3.23Š|
| 567 | H | 23.2 | Very low | 23.2 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | trans | -70.9 | 85.4 | 158.7 | -101.1 | -75.6 | 0 | 0 | 0 | 108.8 | P565 S569 | P565-H567 PolarHBondContact O-N 3.07Å; H567-S569 PolarHBondContact O-N 3.15Å | ||
| 568 | Q | 23 | Very low | 23.2 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -74.2 | 91.3 | 178.5 | -156.3 | 173.8 | 8.2 | 0 | 0 | 109.1 | L566 N570 | L566-Q568 PolarHBondContact O-N 3.23Å; Q568-N570 VanDerWaalsContact C-N 3.27Å; Q568-N570 WeakPolarHBondContact CG-OD1 3.43Å; Q568-N570 PolarHBondContact O-N 2.73Å | ||
| 569 | S | 22.8 | Very low | 23.2 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -72.4 | 82.1 | 177.3 | 57.4 | 0 | 0 | 0 | 0 | 110.2 | H567 I571 | H567-S569 PolarHBondContact O-N 3.15Å; S569-I571 PolarHBondContact O-N 2.95Å | ||
| 570 | N | 22 | Very low | 23.2 | Very low | 117 Ų | 117 | 141 Ų | 141 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | trans | -64.6 | 91 | -179.2 | -70.5 | -17.5 | 0 | 0 | 0 | 111.6 | Q568 T572 | Q568-N570 VanDerWaalsContact C-N 3.27Å; Q568-N570 WeakPolarHBondContact CG-OD1 3.43Å; Q568-N570 PolarHBondContact O-N 2.73Å; N570-T572 PolarHBondContact O-N 2.67Å | ||
| 571 | I | 22.7 | Very low | 23.1 | Very low | 157 Ų | 157 | 139 Ų | 139 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | trans | -83 | 90.4 | 157 | -59.4 | -179.5 | 0 | 0 | 0 | 106.2 | S569 T573 | S569-I571 PolarHBondContact O-N 2.95Å; I571-T573 PolarHBondContact O-N 2.83Å; I571-T573 VanDerWaalsContact O-N 3.12Å | ||
| 572 | T | 23.4 | Very low | 23.2 | Very low | 108 Ų | 108 | 140 Ų | 140 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | trans | -66.1 | 107.6 | 177.4 | 45.6 | 0 | 0 | 0 | 0 | 110.1 | N570 N574 | N570-T572 PolarHBondContact O-N 2.67Å; T572-N574 PolarHBondContact O-N 3.44Å; T572-N574 VanDerWaalsContact O-N 3.1Å | ||
| 573 | T | 23.5 | Very low | 23.2 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | -64.1 | 105.2 | 162.3 | 45.3 | 0 | 0 | 0 | 0 | 108.4 | I571 E575 | I571-T573 PolarHBondContact O-N 2.83Å; I571-T573 VanDerWaalsContact O-N 3.12Å; T573-E575 PolarHBondContact O-N 2.94Å | ||
| 574 | N | 23.9 | Very low | 23.2 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -59.8 | 127.1 | 175.2 | -81.3 | -13.2 | 0 | 0 | 0 | 110.1 | T572 | T572-N574 PolarHBondContact O-N 3.44Å; T572-N574 VanDerWaalsContact O-N 3.1Å | ||
| 575 | E | 22.7 | Very low | 23.2 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -68.9 | 152.4 | 171.9 | -57.9 | 178.3 | 122 | 0 | 0 | 111 | T573 | T573-E575 PolarHBondContact O-N 2.94Š| ||
| 576 | S | 22.5 | Very low | 23.2 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | 137 | 146.3 | 118.6 | 67.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 577 | N | 24.1 | Very low | 23.1 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 68.5 | 125.5 | 165.4 | -45 | -50.2 | 0 | 0 | 0 | 116.5 | ||||
| 578 | G | 24.1 | Very low | 23.2 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | cis | 140 | 90.7 | -3.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 579 | L | 24.8 | Very low | 23.2 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 97% | 0.969 | 78% | 0.777 | S | S | * | * | trans | -117.6 | 126.2 | 169.3 | -72.8 | 171.9 | 0 | 0 | 0 | 109.1 | ||||
| 580 | K | 22.2 | Very low | 23.2 | Very low | 213 Ų | 213 | 134 Ų | 134 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | trans | -149.1 | 126.9 | -169.3 | -172.7 | -179.5 | -175.8 | 179.8 | 0 | 109.1 | ||||
| 581 | G | 23.2 | Very low | 23.1 | Very low | 64 Ų | 64 | 133.8 Ų | 133.8 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | 109.8 | 146.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 582 | N | 23.9 | Very low | 23.2 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | cis | -130 | 126.6 | 2.2 | -75.1 | -32.9 | 0 | 0 | 0 | 111.9 | I584 | N582-I584 PolarHBondContact O-N 3.29Š| ||
| 583 | S | 22.5 | Very low | 23.1 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -77.4 | 103.9 | 169.5 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | N585 | S583-N585 PolarHBondContact O-N 3.03Š| ||
| 584 | I | 22.5 | Very low | 23 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | -78.4 | 119.7 | 171.9 | -63.2 | 178.4 | 0 | 0 | 0 | 108.3 | N582 I586 | N582-I584 PolarHBondContact O-N 3.29Å; I584-I586 HydrophobicContact CG2-CD1 4.35Å; I584-I586 HydrophobicContact CG2-CG1 4.17Å | ||
| 585 | N | 23.1 | Very low | 23 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | trans | -102.9 | 111.2 | -173.9 | -175.2 | 7.7 | 0 | 0 | 0 | 110.3 | S583 S587 | S583-N585 PolarHBondContact O-N 3.03Å; N585-S587 PolarHBondContact OD1-N 2.96Å; N585-S587 PolarHBondContact OD1-OG 3.18Å | ||
| 586 | I | 24.4 | Very low | 22.9 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | trans | -124.1 | 67.2 | 173.5 | -50.3 | -176.9 | 0 | 0 | 0 | 109.3 | I584 S588 | I584-I586 HydrophobicContact CG2-CD1 4.35Å; I584-I586 HydrophobicContact CG2-CG1 4.17Å; I586-S588 PolarHBondContact O-N 2.84Å | ||
| 587 | S | 21.3 | Very low | 23 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -83.4 | 73.3 | 171.3 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | N585 | N585-S587 PolarHBondContact OD1-N 2.96Å; N585-S587 PolarHBondContact OD1-OG 3.18Å | ||
| 588 | S | 24.7 | Very low | 23 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | -170.1 | 91.1 | 169 | 41.9 | 0 | 0 | 0 | 0 | 114.8 | I586 | I586-S588 PolarHBondContact O-N 2.84Š| ||
| 589 | L | 23.4 | Very low | 23 | Very low | 183 Ų | 183 | 136 Ų | 136 | 96% | 0.958 | 77% | 0.773 | S | S | * | * | trans | -160.1 | 104.2 | 146.6 | -111.3 | 157.3 | 0 | 0 | 0 | 109.2 | ||||
| 590 | S | 21.5 | Very low | 23.1 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -88.1 | 146.9 | -172.8 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 591 | C | 20.6 | Very low | 23.2 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | 38 | 113 | 144.9 | -56.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 592 | N | 23.9 | Very low | 23.4 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | -145.6 | 117.9 | 124.4 | -100.4 | -33.3 | 0 | 0 | 0 | 109.5 | |||||
| 593 | E | 21.6 | Very low | 23.5 | Very low | 189 Ų | 189 | 132.9 Ų | 132.9 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -78.3 | 129 | 167 | -63.6 | 176.5 | 112.4 | 0 | 0 | 108.7 | ||||
| 594 | T | 23 | Very low | 23.5 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -152.6 | 139.8 | 149.8 | -20.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 595 | S | 22 | Very low | 23.6 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | trans | -68.8 | 151.5 | -173.2 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 596 | N | 22.3 | Very low | 23.6 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | 53.7 | 96.6 | 146.1 | -56.3 | -10.4 | 0 | 0 | 0 | 117.5 | ||||
| 597 | N | 23.6 | Very low | 23.6 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | -173.7 | 175.3 | 97.2 | -93.8 | -14.4 | 0 | 0 | 0 | 112.4 | |||||
| 598 | S | 25.4 | Very low | 23.7 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | trans | -52.7 | 146.2 | 171.9 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 599 | F | 23.6 | Very low | 23.6 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | -159.7 | 149.5 | 124.2 | -106 | -67.7 | 0 | 0 | 0 | 111.8 | T909 | F599-T909 HydrophobicContact CE1-CG2 3.85Å; F599-T909 HydrophobicContact CZ-CG2 4.03Å | |||
| 600 | H | 25.9 | Very low | 23.7 | Very low | 190 Ų | 190 | 134.7 Ų | 134.7 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | trans | -71.5 | 139 | 161.6 | -76.6 | -97.7 | 0 | 0 | 0 | 109.4 | ||||
| 601 | S | 25.2 | Very low | 23.8 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -147.8 | 133.3 | 157.2 | -164.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 602 | P | 27.6 | Very low | 24 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -74.1 | 130.8 | -176.1 | 29.7 | -33.7 | 0 | 0 | 0 | 110.9 | V604 | P602-V604 PolarHBondContact O-N 3Å; P602-V604 VanDerWaalsContact O-N 3.17Å | ||
| 603 | V | 24.4 | Very low | 24 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -71.2 | 110.3 | 171.7 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | L605 | V603-L605 PolarHBondContact O-N 3.39Š| ||
| 604 | V | 22.7 | Very low | 24.2 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | trans | -62.2 | 124.6 | 166.4 | 175.9 | 0 | 0 | 0 | 0 | 107.8 | P602 N606 | P602-V604 PolarHBondContact O-N 3Å; P602-V604 VanDerWaalsContact O-N 3.17Å; V604-N606 PolarHBondContact O-N 3.38Å; V604-N606 VanDerWaalsContact O-N 3.08Å | ||
| 605 | L | 25.7 | Very low | 24.2 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | -72.5 | 100.4 | 179.8 | -163 | 82.4 | 0 | 0 | 0 | 108.7 | V603 D607 | V603-L605 PolarHBondContact O-N 3.39Å; L605-D607 PolarHBondContact O-N 2.94Å | ||
| 606 | N | 23.3 | Very low | 24.3 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -73 | 120.5 | 170 | -80.4 | -11.9 | 0 | 0 | 0 | 109 | V604 V608 | V604-N606 PolarHBondContact O-N 3.38Å; V604-N606 VanDerWaalsContact O-N 3.08Å; N606-V608 PolarHBondContact O-N 2.96Å | ||
| 607 | D | 24.6 | Very low | 24.4 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | -60.5 | 102.7 | -179.9 | -68.1 | -63.3 | 0 | 0 | 0 | 112.1 | L605 Q609 | L605-D607 PolarHBondContact O-N 2.94Å; D607-Q609 VanDerWaalsContact C-N 3.3Å; D607-Q609 PolarHBondContact O-N 3.23Å | ||
| 608 | V | 23.5 | Very low | 24.4 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | -83.8 | 85.2 | 159.6 | -177.9 | 0 | 0 | 0 | 0 | 106.9 | N606 | N606-V608 PolarHBondContact O-N 2.96Š| ||
| 609 | Q | 21.4 | Very low | 24.4 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 121.2 | 176.8 | -175.2 | 176.8 | -4.3 | 0 | 0 | 109.8 | D607 | D607-Q609 VanDerWaalsContact C-N 3.3Å; D607-Q609 PolarHBondContact O-N 3.23Å |
| 610 | P | 26.1 | Very low | 24.4 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 129.6 | -177.7 | 28.9 | -33.6 | 0 | 0 | 0 | 110.7 | E612 | P610-E612 PolarHBondContact O-N 3.13Š|
| 611 | D | 23.5 | Very low | 24.3 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57 | 126.6 | -180 | -83.6 | -52.2 | 0 | 0 | 0 | 112.1 | N613 | D611-N613 PolarHBondContact O-N 2.89Š|
| 612 | E | 24.5 | Very low | 24.2 | Very low | 166 Ų | 166 | 142 Ų | 142 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -73 | 82.3 | -174.8 | -65.5 | -171.8 | 123 | 0 | 0 | 112 | P610 T614 | P610-E612 PolarHBondContact O-N 3.13Å; E612-T614 PolarHBondContact O-N 3.41Å; E612-T614 PolarHBondContact O-OG1 3.11Å | ||
| 613 | N | 24.8 | Very low | 24.1 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -72.6 | 53.4 | 166.3 | -89 | -45.2 | 0 | 0 | 0 | 112.6 | D611 V615 | D611-N613 PolarHBondContact O-N 2.89Å; N613-V615 PolarHBondContact O-N 3.22Å | ||
| 614 | T | 24.5 | Very low | 24.1 | Very low | 106 Ų | 106 | 144 Ų | 144 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | 7.1 | 74.1 | 143.3 | -51.4 | 0 | 0 | 0 | 0 | 116.4 | E612 S616 | E612-T614 PolarHBondContact O-N 3.41Å; E612-T614 PolarHBondContact O-OG1 3.11Å; T614-S616 VanDerWaalsContact CG2-OG 3.31Å; T614-S616 WeakPolarHBondContact CG2-OG 3.38Å | ||
| 615 | V | 24.3 | Very low | 24.2 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -98.9 | 69.5 | 159.8 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | N613 G617 | N613-V615 PolarHBondContact O-N 3.22Å; V615-G617 VanDerWaalsContact C-N 3.26Å; V615-G617 PolarHBondContact O-N 2.87Å | ||
| 616 | S | 24.1 | Very low | 24.1 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -70.6 | 75.8 | 178.4 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | T614 | T614-S616 VanDerWaalsContact CG2-OG 3.31Å; T614-S616 WeakPolarHBondContact CG2-OG 3.38Å | ||
| 617 | G | 24.4 | Very low | 24 | Very low | 64 Ų | 64 | 142 Ų | 142 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | -116.3 | -22.7 | -166 | 0 | 0 | 0 | 0 | 0 | 117.9 | V615 | V615-G617 VanDerWaalsContact C-N 3.26Å; V615-G617 PolarHBondContact O-N 2.87Å | ||
| 618 | L | 23.7 | Very low | 24 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -132.6 | 91.7 | -176.6 | -85.8 | 168.3 | 0 | 0 | 0 | 111.8 | S620 | L618-S620 PolarHBondContact O-N 3.43Š| ||
| 619 | Q | 25.2 | Very low | 24 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -62.4 | 116.1 | 169.3 | -72.5 | -178.1 | -14.7 | 0 | 0 | 110.3 | R621 | Q619-R621 PolarHBondContact O-N 3.1Š| ||
| 620 | S | 24 | Very low | 24.2 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -63.5 | 97.9 | 165.5 | 47 | 0 | 0 | 0 | 0 | 109.4 | L618 H622 | L618-S620 PolarHBondContact O-N 3.43Å; S620-H622 PolarHBondContact O-N 3.02Å | ||
| 621 | R | 23.3 | Very low | 24.1 | Very low | 225 Ų | 225 | 144.7 Ų | 144.7 | 85% | 0.849 | 78% | 0.783 | S | S | * | * | trans | -60.5 | 107.5 | 170.3 | -87.4 | -173.6 | 171.3 | 176.6 | -1.4 | 108.6 | Q619 V623 | Q619-R621 PolarHBondContact O-N 3.1Å; R621-V623 PolarHBondContact O-N 3.05Å | ||
| 622 | H | 22.9 | Very low | 24.1 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | -63.2 | 77.9 | 171 | -102.3 | -65.9 | 0 | 0 | 0 | 110.7 | S620 K624 | S620-H622 PolarHBondContact O-N 3.02Å; H622-K624 PolarHBondContact O-N 3.35Å; H622-K624 VanDerWaalsContact O-N 3.09Å | ||
| 623 | V | 25.4 | Very low | 24 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | trans | -74.2 | 96 | 163.2 | -179.2 | 0 | 0 | 0 | 0 | 106.6 | R621 S625 | R621-V623 PolarHBondContact O-N 3.05Å; V623-S625 PolarHBondContact O-N 3.38Å | ||
| 624 | K | 24.4 | Very low | 23.9 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | trans | -66.8 | 84.6 | 163.1 | -75.7 | -173.5 | 174.5 | -176 | 0 | 108.6 | H622 D626 | H622-K624 PolarHBondContact O-N 3.35Å; H622-K624 VanDerWaalsContact O-N 3.09Å; K624-D626 VanDerWaalsContact C-N 3.33Å; K624-D626 PolarHBondContact O-N 3.26Å; K624-D626 VanDerWaalsContact O-N 3.14Å | ||
| 625 | S | 24.5 | Very low | 23.9 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -77.6 | 87.6 | 165.8 | 55.1 | 0 | 0 | 0 | 0 | 108.3 | V623 S627 | V623-S625 PolarHBondContact O-N 3.38Å; S625-S627 PolarHBondContact O-N 2.73Å | ||
| 626 | D | 24 | Very low | 23.9 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -54.6 | 137.8 | -179.3 | -73.2 | -39.5 | 0 | 0 | 0 | 111.7 | K624 K628 | K624-D626 VanDerWaalsContact C-N 3.33Å; K624-D626 PolarHBondContact O-N 3.26Å; K624-D626 VanDerWaalsContact O-N 3.14Å; D626-K628 PolarHBondContact O-N 3.15Å | ||
| 627 | S | 21.1 | Very low | 23.8 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -69.3 | 89 | -174.5 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | S625 | S625-S627 PolarHBondContact O-N 2.73Š| ||
| 628 | K | 25.5 | Very low | 23.7 | Very low | 197 Ų | 197 | 148.6 Ų | 148.6 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -100.3 | 88.3 | 159.1 | -78.2 | -174.1 | 175.8 | 176.8 | 0 | 109.6 | D626 L630 | D626-K628 PolarHBondContact O-N 3.15Å; K628-L630 VanDerWaalsContact C-N 3.26Å; K628-L630 PolarHBondContact O-N 2.93Å | ||
| 629 | S | 23 | Very low | 23.7 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -64.1 | 83.7 | 171.2 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | K631 | S629-K631 PolarHBondContact O-N 2.9Š| ||
| 630 | L | 24.5 | Very low | 23.7 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | -76.1 | 83.1 | 175.5 | -147.3 | 167.1 | 0 | 0 | 0 | 108 | K628 Q632 | K628-L630 VanDerWaalsContact C-N 3.26Å; K628-L630 PolarHBondContact O-N 2.93Å; L630-Q632 VanDerWaalsContact C-N 3.32Å; L630-Q632 HydrophobicContact CD2-CG 3.83Å; L630-Q632 PolarHBondContact O-N 3.31Å | ||
| 631 | K | 24.6 | Very low | 23.7 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | -61.8 | 93.7 | 171.5 | -74.2 | -168.6 | 174.8 | -166.8 | 0 | 109.4 | S629 | S629-K631 PolarHBondContact O-N 2.9Š| ||
| 632 | Q | 23.1 | Very low | 23.7 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | trans | -97.6 | 91 | 150.5 | -76.1 | 177.9 | -71.5 | 0 | 0 | 105.8 | L630 L634 | L630-Q632 VanDerWaalsContact C-N 3.32Å; L630-Q632 HydrophobicContact CD2-CG 3.83Å; L630-Q632 PolarHBondContact O-N 3.31Å; Q632-L634 PolarHBondContact O-N 3.01Å | ||
| 633 | D | 24.1 | Very low | 23.8 | Very low | 115 Ų | 115 | 130 Ų | 130 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | trans | -59.3 | 103.8 | 175.6 | -61.2 | -54.6 | 0 | 0 | 0 | 107.6 | I635 | D633-I635 HydrophobicContact CB-CG1 4.37Å; D633-I635 PolarHBondContact O-N 3.37Å | ||
| 634 | L | 22.7 | Very low | 23.7 | Very low | 150 Ų | 150 | 132 Ų | 132 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -81.7 | 79.9 | -176.8 | -152.7 | 146.2 | 0 | 0 | 0 | 107.2 | Q632 I636 | Q632-L634 PolarHBondContact O-N 3.01Å; L634-I636 HydrophobicContact CD2-CD1 4.14Å; L634-I636 HydrophobicContact CD2-CG1 3.75Å; L634-I636 PolarHBondContact O-N 3.45Å | ||
| 635 | I | 23 | Very low | 23.8 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | trans | -66.5 | 83.8 | -176.9 | -57.4 | 171.1 | 0 | 0 | 0 | 108.9 | D633 S637 | D633-I635 HydrophobicContact CB-CG1 4.37Å; D633-I635 PolarHBondContact O-N 3.37Å; I635-S637 VanDerWaalsContact C-N 3.27Å; I635-S637 PolarHBondContact O-N 3.08Å; I635-S637 VanDerWaalsContact O-N 3.08Å | ||
| 636 | I | 23.8 | Very low | 23.9 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | -73.2 | 91 | 159.4 | -57.4 | -178.8 | 0 | 0 | 0 | 105.4 | L634 E638 | L634-I636 HydrophobicContact CD2-CD1 4.14Å; L634-I636 HydrophobicContact CD2-CG1 3.75Å; L634-I636 PolarHBondContact O-N 3.45Å; I636-E638 PolarHBondContact O-N 3.34Å; I636-E638 VanDerWaalsContact O-N 3.12Å | ||
| 637 | S | 23.1 | Very low | 23.9 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | trans | -54 | 117 | -178.1 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | I635 V639 | I635-S637 VanDerWaalsContact C-N 3.27Å; I635-S637 PolarHBondContact O-N 3.08Å; I635-S637 VanDerWaalsContact O-N 3.08Å; S637-V639 PolarHBondContact O-N 3.4Å | ||
| 638 | E | 22.6 | Very low | 24.2 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -60.2 | 110 | 173.7 | -65.6 | -177.4 | 121.5 | 0 | 0 | 109.7 | I636 S640 | I636-E638 PolarHBondContact O-N 3.34Å; I636-E638 VanDerWaalsContact O-N 3.12Å; E638-S640 PolarHBondContact O-N 3.28Å | ||
| 639 | V | 24 | Very low | 24.1 | Very low | 130 Ų | 130 | 135 Ų | 135 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | trans | -76.5 | 74.4 | 172.8 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | S637 S641 | S637-V639 PolarHBondContact O-N 3.4Å; V639-S641 PolarHBondContact O-N 3.22Å | ||
| 640 | S | 23.6 | Very low | 24.3 | Very low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -73.9 | 68.4 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | E638 G642 | E638-S640 PolarHBondContact O-N 3.28Å; S640-G642 PolarHBondContact O-N 2.99Å | ||
| 641 | S | 24.3 | Very low | 24.4 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -78.7 | 66 | 175.8 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | V639 G643 | V639-S641 PolarHBondContact O-N 3.22Å; S641-G643 VanDerWaalsContact C-N 3.27Å; S641-G643 PolarHBondContact O-N 3.05Å | ||
| 642 | G | 23.2 | Very low | 24.3 | Very low | 65 Ų | 65 | 137.1 Ų | 137.1 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | -67.7 | 71.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S640 N644 | S640-G642 PolarHBondContact O-N 2.99Å; G642-N644 PolarHBondContact O-N 3.49Å; G642-N644 VanDerWaalsContact O-N 3.08Å | ||
| 643 | G | 24.7 | Very low | 24.4 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -78.1 | 78.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S641 V645 | S641-G643 VanDerWaalsContact C-N 3.27Å; S641-G643 PolarHBondContact O-N 3.05Å; G643-V645 PolarHBondContact O-N 3.22Å | ||
| 644 | N | 24.8 | Very low | 24.4 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | -68.8 | 88.5 | 173.8 | -80.1 | -41.1 | 0 | 0 | 0 | 112 | G642 | G642-N644 PolarHBondContact O-N 3.49Å; G642-N644 VanDerWaalsContact O-N 3.08Å | ||
| 645 | V | 26.7 | Very low | 24.4 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -94.5 | 105.4 | 168.2 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | G643 E647 | G643-V645 PolarHBondContact O-N 3.22Å; V645-E647 PolarHBondContact O-N 2.82Å | ||
| 646 | T | 25.1 | Very low | 24.5 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -75.8 | 100.4 | 172.6 | 49.8 | 0 | 0 | 0 | 0 | 110.3 | K648 | T646-K648 PolarHBondContact O-N 2.94Š| ||
| 647 | E | 25.1 | Very low | 24.4 | Very low | 185 Ų | 185 | 141.9 Ų | 141.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 125.4 | 169.1 | -67.7 | -173.8 | 124.3 | 0 | 0 | 110.3 | V645 | V645-E647 PolarHBondContact O-N 2.82Š|
| 648 | K | 26.3 | Very low | 24.4 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -94 | 119.2 | 171.7 | -79.2 | -177.4 | 175.5 | 177.2 | 0 | 109.1 | T646 K650 | T646-K648 PolarHBondContact O-N 2.94Å; K648-K650 PolarHBondContact O-N 3.45Å |
| 649 | N | 24 | Very low | 24.5 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 119.2 | 165.9 | -70.6 | -20.1 | 0 | 0 | 0 | 110.3 | ||
| 650 | K | 27.1 | Very low | 24.5 | Very low | 213 Ų | 213 | 142.5 Ų | 142.5 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | trans | -141.2 | 143.9 | 153.9 | -104.3 | -165.8 | 170.3 | -165.3 | 0 | 108.4 | K648 | K648-K650 PolarHBondContact O-N 3.45Š| ||
| 651 | G | 26.1 | Very low | 24.5 | Very low | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | -84.9 | 151.3 | -161.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 652 | E | 23.8 | Very low | 24.6 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | 40.9 | 122.8 | 136.1 | -61.9 | -164.4 | 158.7 | 0 | 0 | 121.7 | ||||
| 653 | N | 25.1 | Very low | 24.6 | Very low | 141 Ų | 141 | 150.2 Ų | 150.2 | 75% | 0.754 | 84% | 0.836 | S | S | * | * | trans | 66.6 | 84 | 134.3 | -55.8 | -22 | 0 | 0 | 0 | 119.4 | ||||
| 654 | E | 24.5 | Very low | 24.6 | Very low | 197 Ų | 197 | 155 Ų | 155 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -97.1 | 127.4 | 141.3 | -71.6 | -168 | 142 | 0 | 0 | 109.6 | ||||
| 655 | M | 22.2 | Very low | 24.5 | Very low | 182 Ų | 182 | 153.6 Ų | 153.6 | 90% | 0.897 | 84% | 0.837 | S | S | * | * | trans | -119.2 | 103.7 | -179 | -168.2 | 171.4 | -174 | 0 | 0 | 109.1 | ||||
| 656 | T | 25.3 | Very low | 24.4 | Very low | 131 Ų | 131 | 152.9 Ų | 152.9 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 123.3 | -171.2 | 24.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 657 | N | 21.3 | Very low | 24.3 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 131.1 | 177.4 | -73.2 | -39.7 | 0 | 0 | 0 | 112.1 | ||
| 658 | C | 22.7 | Very low | 24.2 | Very low | 127 Ų | 127 | 149 Ų | 149 | 86% | 0.858 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 121.4 | 173.6 | -67 | 0 | 0 | 0 | 0 | 111.2 | ||
| 659 | S | 24.1 | Very low | 24.1 | Very low | 120 Ų | 120 | 148 Ų | 148 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 146.6 | -176.9 | -60 | 0 | 0 | 0 | 0 | 114.1 | A661 | S659-A661 PolarHBondContact O-N 3.43Š|
| 660 | N | 24.2 | Very low | 24.1 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 127.3 | -176.5 | -66 | -48.5 | 0 | 0 | 0 | 114 | ||
| 661 | A | 24.9 | Very low | 23.9 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 140 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S659 | S659-A661 PolarHBondContact O-N 3.43Š|
| 662 | K | 24.9 | Very low | 23.8 | Very low | 211 Ų | 211 | 147.7 Ų | 147.7 | 92% | 0.917 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 132.9 | -179.5 | -82.4 | -173.7 | 172 | -176.6 | 0 | 112.6 | ||
| 663 | T | 24 | Very low | 23.9 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 80% | 0.798 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 143.4 | 169.1 | -23 | 0 | 0 | 0 | 0 | 111.5 | ||
| 664 | L | 24.5 | Very low | 23.7 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 88% | 0.88 | 84% | 0.844 | S | S | * | * | trans | -139.4 | 131.4 | 166.3 | -138 | 165 | 0 | 0 | 0 | 108.9 | ||||
| 665 | N | 23.7 | Very low | 23.8 | Very low | 131 Ų | 131 | 146.8 Ų | 146.8 | 70% | 0.701 | 84% | 0.838 | S | S | * | * | trans | -89.3 | 142.3 | -165.7 | -61.9 | -33.6 | 0 | 0 | 0 | 113.1 | ||||
| 666 | S | 23.6 | Very low | 23.8 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | trans | -145.5 | 99.4 | 154.7 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 667 | S | 23.4 | Very low | 23.9 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 78% | 0.776 | 84% | 0.84 | S | S | * | * | trans | 17.2 | 112.6 | 154.4 | 56.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 668 | S | 22.6 | Very low | 24.1 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | -47.3 | 143.3 | 156.5 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 669 | I | 24.1 | Very low | 24 | Very low | 174 Ų | 174 | 150.4 Ų | 150.4 | 89% | 0.892 | 84% | 0.838 | S | S | * | * | trans | -112.7 | 141.5 | 147.4 | -66.2 | -179.2 | 0 | 0 | 0 | 107.9 | ||||
| 670 | S | 23.9 | Very low | 24 | Very low | 111 Ų | 111 | 151 Ų | 151 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 151.2 | -156.5 | 41 | 0 | 0 | 0 | 0 | 115.2 | S672 | S670-S672 PolarHBondContact O-N 2.88Š|
| 671 | K | 22.6 | Very low | 24 | Very low | 215 Ų | 215 | 148.4 Ų | 148.4 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 119 | 174.8 | -61.8 | 168.8 | -179 | 172.8 | 0 | 110.3 | ||
| 672 | S | 25.4 | Very low | 23.9 | Very low | 121 Ų | 121 | 155.1 Ų | 155.1 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 146.5 | 160.7 | 52.7 | 0 | 0 | 0 | 0 | 110 | S670 | S670-S672 PolarHBondContact O-N 2.88Š|
| 673 | S | 24.9 | Very low | 23.9 | Very low | 110 Ų | 110 | 150.2 Ų | 150.2 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 154.4 | -164 | 47.6 | 0 | 0 | 0 | 0 | 114.7 | K675 | S673-K675 PolarHBondContact O-N 2.99Š|
| 674 | E | 21.6 | Very low | 24 | Very low | 202 Ų | 202 | 155.7 Ų | 155.7 | 94% | 0.944 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 118.8 | 175.6 | -64.2 | 171.1 | 108.3 | 0 | 0 | 111.2 | ||
| 675 | K | 25.1 | Very low | 24.2 | Very low | 182 Ų | 182 | 155.5 Ų | 155.5 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | trans | -107.9 | 125.7 | 162.5 | -85.5 | -177.7 | 174.7 | 174.6 | 0 | 109.5 | S673 H677 | S673-K675 PolarHBondContact O-N 2.99Å; K675-H677 PolarHBondContact O-N 3.39Å; K675-H677 VanDerWaalsContact O-N 3.12Å | ||
| 676 | S | 23.4 | Very low | 24.1 | Very low | 122 Ų | 122 | 158.1 Ų | 158.1 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -58.5 | 111.9 | 179.9 | 46.5 | 0 | 0 | 0 | 0 | 111.5 | K678 | S676-K678 PolarHBondContact O-N 3.21Š| ||
| 677 | H | 26.9 | Very low | 24.3 | Very low | 190 Ų | 190 | 159.3 Ų | 159.3 | 88% | 0.88 | 84% | 0.836 | S | S | * | * | trans | -68.4 | 105.5 | 176.6 | -83.8 | -85.6 | 0 | 0 | 0 | 110.6 | K675 M679 | K675-H677 PolarHBondContact O-N 3.39Å; K675-H677 VanDerWaalsContact O-N 3.12Å; H677-M679 PolarHBondContact O-N 2.81Å | ||
| 678 | K | 24.8 | Very low | 24.4 | Very low | 192 Ų | 192 | 160.1 Ų | 160.1 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -57.4 | 135.7 | 168.2 | -86.1 | -175.8 | 173.5 | 179.1 | 0 | 110.1 | S676 V680 | S676-K678 PolarHBondContact O-N 3.21Å; K678-V680 PolarHBondContact O-N 2.91Å; K678-V680 VanDerWaalsContact O-N 3.09Å | ||
| 679 | M | 21.3 | Very low | 24.3 | Very low | 173 Ų | 173 | 160.6 Ų | 160.6 | 85% | 0.852 | 84% | 0.835 | S | S | * | * | trans | -60.4 | 107.3 | 179.2 | -174.5 | 176.2 | -178.8 | 0 | 0 | 110.9 | H677 T681 | H677-M679 PolarHBondContact O-N 2.81Å; M679-T681 PolarHBondContact O-N 2.95Å | ||
| 680 | V | 24.7 | Very low | 24.4 | Very low | 133 Ų | 133 | 161.2 Ų | 161.2 | 81% | 0.806 | 83% | 0.834 | S | S | * | * | trans | -76.1 | 91.5 | -178.1 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | K678 R682 | K678-V680 PolarHBondContact O-N 2.91Å; K678-V680 VanDerWaalsContact O-N 3.09Å; V680-R682 PolarHBondContact O-N 2.85Å | ||
| 681 | T | 23.6 | Very low | 24.3 | Very low | 112 Ų | 112 | 162.1 Ų | 162.1 | 69% | 0.687 | 83% | 0.834 | S | S | * | * | trans | -67.4 | 100.3 | 170.5 | 45.8 | 0 | 0 | 0 | 0 | 110.3 | M679 S683 | M679-T681 PolarHBondContact O-N 2.95Å; T681-S683 PolarHBondContact O-N 2.91Å | ||
| 682 | R | 22.5 | Very low | 24.4 | Very low | 241 Ų | 241 | 159 Ų | 159 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -64 | 93.5 | 167.5 | -98.6 | -176.3 | 166.5 | 177.2 | -4.1 | 109.9 | V680 R684 | V680-R682 PolarHBondContact O-N 2.85Å; R682-R684 PolarHBondContact O-N 3.15Å | ||
| 683 | S | 25.3 | Very low | 24.2 | Very low | 109 Ų | 109 | 160.5 Ų | 160.5 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | -63.3 | 102.2 | 168.1 | 38.4 | 0 | 0 | 0 | 0 | 109.7 | T681 L685 | T681-S683 PolarHBondContact O-N 2.91Å; S683-L685 PolarHBondContact O-N 2.97Å | ||
| 684 | R | 26 | Very low | 24.2 | Very low | 244 Ų | 244 | 160.5 Ų | 160.5 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -64.8 | 116.9 | 163.6 | -90.1 | -173.7 | 165.7 | -173.7 | -5.4 | 107.8 | R682 K686 | R682-R684 PolarHBondContact O-N 3.15Å; R684-K686 PolarHBondContact O-N 3.28Å | ||
| 685 | L | 27.7 | Very low | 24.2 | Very low | 164 Ų | 164 | 156.4 Ų | 156.4 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -52.5 | 133.2 | 178.3 | -81.4 | 152.1 | 0 | 0 | 0 | 110.8 | S683 T687 | S683-L685 PolarHBondContact O-N 2.97Å; L685-T687 PolarHBondContact O-N 3.29Å; L685-T687 VanDerWaalsContact O-N 3.1Å | ||
| 686 | K | 23.5 | Very low | 24.2 | Very low | 187 Ų | 187 | 155 Ų | 155 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | trans | -68.2 | 100.9 | 166.4 | -85.7 | -178 | 170.6 | -178.9 | 0 | 108.5 | R684 N688 | R684-K686 PolarHBondContact O-N 3.28Å; K686-N688 VanDerWaalsContact C-N 3.3Å; K686-N688 PolarHBondContact O-N 3.4Å; K686-N688 VanDerWaalsContact O-N 3.1Å | ||
| 687 | T | 26.2 | Very low | 24.2 | Very low | 138 Ų | 138 | 155.8 Ų | 155.8 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -73.4 | 91.5 | 154.8 | 39.6 | 0 | 0 | 0 | 0 | 107.7 | L685 | L685-T687 PolarHBondContact O-N 3.29Å; L685-T687 VanDerWaalsContact O-N 3.1Å | ||
| 688 | N | 25.3 | Very low | 24 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 69% | 0.69 | 82% | 0.815 | S | S | * | * | trans | -59.9 | 142.3 | 171.2 | -77.3 | -10.5 | 0 | 0 | 0 | 109.4 | K686 Q690 | K686-N688 VanDerWaalsContact C-N 3.3Å; K686-N688 PolarHBondContact O-N 3.4Å; K686-N688 VanDerWaalsContact O-N 3.1Å; N688-Q690 PolarHBondContact O-N 2.93Å | ||
| 689 | S | 21 | Very low | 24 | Very low | 124 Ų | 124 | 149 Ų | 149 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -69.3 | 117.5 | 169.7 | 50.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 690 | Q | 25.9 | Very low | 24.1 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -142.2 | 128.1 | 160.2 | -141.8 | 164.3 | 3 | 0 | 0 | 108.8 | N688 | N688-Q690 PolarHBondContact O-N 2.93Š| ||
| 691 | V | 22 | Very low | 24.1 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | -81.3 | 122.3 | -176.5 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 692 | I | 25.6 | Very low | 24.2 | Very low | 149 Ų | 149 | 151.8 Ų | 151.8 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -138.6 | 121 | 157.8 | -59.6 | -177.3 | 0 | 0 | 0 | 106.5 | S694 | I692-S694 PolarHBondContact O-N 3.44Š| ||
| 693 | D | 21.6 | Very low | 24.2 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -73.4 | 119.9 | 171.8 | -69.8 | -68.1 | 0 | 0 | 0 | 110.4 | ||||
| 694 | S | 24.2 | Very low | 24 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -149.1 | 90.7 | 164.5 | 53.8 | 0 | 0 | 0 | 0 | 110.9 | I692 L696 | I692-S694 PolarHBondContact O-N 3.44Å; S694-L696 PolarHBondContact O-N 3.49Å | ||
| 695 | S | 22.1 | Very low | 24.1 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -69.3 | 122 | 171.4 | 54.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 696 | L | 24 | Very low | 23.9 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -158.1 | 128.5 | 143.9 | -136.6 | 69.8 | 0 | 0 | 0 | 113.6 | S694 | S694-L696 PolarHBondContact O-N 3.49Š| ||
| 697 | N | 24.4 | Very low | 23.9 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | 46.2 | 91.1 | 152.4 | -60.5 | -4.2 | 0 | 0 | 0 | 119.2 | S699 | N697-S699 PolarHBondContact O-N 3Š| ||
| 698 | T | 22.8 | Very low | 23.9 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | trans | -61.6 | 106.1 | 150 | 47.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 699 | S | 23.5 | Very low | 23.9 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | -86.6 | 117.1 | 166.9 | 47.1 | 0 | 0 | 0 | 0 | 110.6 | N697 F701 | N697-S699 PolarHBondContact O-N 3Å; S699-F701 PolarHBondContact O-N 2.71Å; S699-F701 VanDerWaalsContact O-N 3.13Å | ||
| 700 | S | 23.6 | Very low | 24.1 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -80.5 | 89.6 | -176.5 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | H702 | S700-H702 PolarHBondContact O-N 3.12Š| ||
| 701 | F | 24.6 | Very low | 24.1 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -82.6 | 87.1 | 165.3 | -82.4 | -82.1 | 0 | 0 | 0 | 110.5 | S699 S703 | S699-F701 PolarHBondContact O-N 2.71Å; S699-F701 VanDerWaalsContact O-N 3.13Å; F701-S703 PolarHBondContact O-N 3.43Å | ||
| 702 | H | 26.5 | Very low | 24.1 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | -68.1 | 109 | 162.8 | -87.1 | -85.3 | 0 | 0 | 0 | 109.1 | S700 N704 | S700-H702 PolarHBondContact O-N 3.12Å; H702-N704 PolarHBondContact O-N 2.9Å | ||
| 703 | S | 22.8 | Very low | 24 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -73.5 | 109.6 | 172 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | F701 | F701-S703 PolarHBondContact O-N 3.43Š| ||
| 704 | N | 21.2 | Very low | 24.1 | Very low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -150 | 32.2 | 174.9 | -147.2 | 29.7 | 0 | 0 | 0 | 114 | H702 N706 | H702-N704 PolarHBondContact O-N 2.9Å; N704-N706 PolarHBondContact O-N 2.94Å; N704-N706 VanDerWaalsContact O-N 3.17Å | ||
| 705 | D | 26.8 | Very low | 24.2 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -80.9 | 90.8 | 174 | -71.8 | -50.3 | 0 | 0 | 0 | 110.8 | F707 | D705-F707 PolarHBondContact O-N 2.92Š| ||
| 706 | N | 23.8 | Very low | 24.4 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | -63.7 | 116.6 | 166.5 | -72.1 | -59.9 | 0 | 0 | 0 | 109.5 | N704 P708 | N704-N706 PolarHBondContact O-N 2.94Å; N704-N706 VanDerWaalsContact O-N 3.17Å; N706-P708 WeakPolarHBondContact O-CD 3.5Å | ||
| 707 | F | 24.7 | Very low | 24.4 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -87 | 106.9 | 169.4 | -93 | -95 | 0 | 0 | 0 | 110.3 | D705 I709 | D705-F707 PolarHBondContact O-N 2.92Å; F707-I709 PolarHBondContact O-N 3Å | ||
| 708 | P | 25.6 | Very low | 24.5 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -74.7 | 107.5 | 174 | 30.7 | -33.8 | 0 | 0 | 0 | 109.8 | N706 N710 | N706-P708 WeakPolarHBondContact O-CD 3.5Å; P708-N710 PolarHBondContact O-N 2.99Å | ||
| 709 | I | 26.2 | Very low | 24.6 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -76 | 104.3 | 171.2 | -62.7 | 178.4 | 0 | 0 | 0 | 108.1 | F707 L711 | F707-I709 PolarHBondContact O-N 3Å; I709-L711 PolarHBondContact O-N 3.25Å | ||
| 710 | N | 23.2 | Very low | 24.8 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -61.4 | 96.1 | 175.3 | -82.6 | -36.2 | 0 | 0 | 0 | 111.3 | P708 | P708-N710 PolarHBondContact O-N 2.99Š| ||
| 711 | L | 26.4 | Very low | 24.9 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -87.3 | 110 | 162.3 | -89.7 | 161.8 | 0 | 0 | 0 | 108.7 | I709 E713 | I709-L711 PolarHBondContact O-N 3.25Å; L711-E713 PolarHBondContact O-N 2.99Å | ||
| 712 | C | 23 | Very low | 24.8 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -68.2 | 124.1 | -169.2 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | K714 | C712-K714 PolarHBondContact O-N 3.45Š| ||
| 713 | E | 23.1 | Very low | 24.7 | Very low | 188 Ų | 188 | 148.1 Ų | 148.1 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -68 | 116 | 179.5 | -65 | -178.8 | 115.4 | 0 | 0 | 112.3 | L711 | L711-E713 PolarHBondContact O-N 2.99Š| ||
| 714 | K | 24 | Very low | 24.9 | Very low | 201 Ų | 201 | 150.3 Ų | 150.3 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -146.5 | 74.1 | 162.1 | -76.6 | -160.9 | 175.8 | -177.7 | 0 | 112.4 | C712 | C712-K714 PolarHBondContact O-N 3.45Š| ||
| 715 | S | 27 | Very low | 25 | Very low | 120 Ų | 120 | 152.5 Ų | 152.5 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -150.3 | 118.1 | 163.3 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 716 | S | 24.8 | Very low | 24.8 | Very low | 107 Ų | 107 | 154.2 Ų | 154.2 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | trans | -87.2 | 124.9 | -173.2 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 717 | D | 25.3 | Very low | 24.9 | Very low | 148 Ų | 148 | 153.7 Ų | 153.7 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | 74.6 | 145 | 142.9 | -66.1 | -58.7 | 0 | 0 | 0 | 123.7 | ||||
| 718 | S | 26 | Very low | 24.8 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | 57.6 | 89 | 170.8 | 53.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 719 | K | 24 | Very low | 24.8 | Very low | 214 Ų | 214 | 155.8 Ų | 155.8 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | 62.5 | 95 | 71.9 | -70.2 | -170.2 | 170.3 | 179.3 | 0 | 116.5 | |||||
| 720 | A | 28.2 | Very low | 24.8 | Very low | 104 Ų | 104 | 156.4 Ų | 156.4 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | -155.2 | 50.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L722 | A720-L722 PolarHBondContact O-N 3.03Š| ||
| 721 | K | 25.1 | Very low | 24.8 | Very low | 201 Ų | 201 | 157.9 Ų | 157.9 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | trans | -84.4 | 107.8 | 179.5 | -171.2 | 176.3 | -178.6 | -178.1 | 0 | 110.2 | T723 | K721-T723 PolarHBondContact O-N 3.49Š| ||
| 722 | L | 23.7 | Very low | 24.8 | Very low | 166 Ų | 166 | 156.1 Ų | 156.1 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | trans | -58.4 | 130.4 | 170.8 | -82.7 | 155 | 0 | 0 | 0 | 110.6 | A720 L724 | A720-L722 PolarHBondContact O-N 3.03Å; L722-L724 PolarHBondContact O-N 2.89Å | ||
| 723 | T | 23.3 | Very low | 24.8 | Very low | 128 Ų | 128 | 155.5 Ų | 155.5 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | trans | -83.1 | 106.7 | 171 | 43.4 | 0 | 0 | 0 | 0 | 109.4 | K721 | K721-T723 PolarHBondContact O-N 3.49Š| ||
| 724 | L | 26.5 | Very low | 24.8 | Very low | 164 Ų | 164 | 153 Ų | 153 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | trans | -81.9 | 121.7 | 163.1 | -173 | 68.8 | 0 | 0 | 0 | 107.6 | L722 E726 | L722-L724 PolarHBondContact O-N 2.89Å; L724-E726 PolarHBondContact O-N 3.17Å | ||
| 725 | E | 23.5 | Very low | 25 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | trans | -76.1 | 107.6 | 178.9 | -68.9 | -174.9 | 119.8 | 0 | 0 | 110.4 | T727 | E725-T727 PolarHBondContact O-N 3.45Å; E725-T727 VanDerWaalsContact O-N 3.16Å | ||
| 726 | E | 24 | Very low | 25.1 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -70.8 | 104.4 | 167.2 | -69.5 | -175.2 | 121.4 | 0 | 0 | 109.3 | L724 S728 | L724-E726 PolarHBondContact O-N 3.17Å; E726-S728 PolarHBondContact O-N 2.97Å; E726-S728 VanDerWaalsContact O-N 3.14Å | ||
| 727 | T | 24.3 | Very low | 25.1 | Very low | 128 Ų | 128 | 154.6 Ų | 154.6 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -59.9 | 115.4 | 173.7 | 51.1 | 0 | 0 | 0 | 0 | 110 | E725 | E725-T727 PolarHBondContact O-N 3.45Å; E725-T727 VanDerWaalsContact O-N 3.16Å | ||
| 728 | S | 24.6 | Very low | 25.1 | Very low | 116 Ų | 116 | 154 Ų | 154 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | -67.5 | 138.5 | -170.8 | 46 | 0 | 0 | 0 | 0 | 113.3 | E726 | E726-S728 PolarHBondContact O-N 2.97Å; E726-S728 VanDerWaalsContact O-N 3.14Å | ||
| 729 | Y | 25 | Very low | 25.1 | Very low | 225 Ų | 225 | 156.6 Ų | 156.6 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -68.7 | 130.3 | 177.6 | -77.8 | -98.4 | 0 | 0 | 0 | 111.1 | E731 | Y729-E731 PolarHBondContact O-N 3.33Š| ||
| 730 | L | 25.1 | Very low | 25.1 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -76.7 | 109.2 | -177.1 | -165.9 | 77 | 0 | 0 | 0 | 111.3 | T732 | L730-T732 PolarHBondContact O-N 3.34Š| ||
| 731 | E | 23.7 | Very low | 25 | Very low | 188 Ų | 188 | 158 Ų | 158 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | -66.4 | 100.1 | 177.6 | -72.9 | -167.4 | 109.6 | 0 | 0 | 112.7 | Y729 S733 | Y729-E731 PolarHBondContact O-N 3.33Å; E731-S733 PolarHBondContact O-N 3.33Å | ||
| 732 | T | 25.6 | Very low | 25 | Very low | 124 Ų | 124 | 158 Ų | 158 | 76% | 0.761 | 83% | 0.825 | S | S | * | * | trans | -74.7 | 90.6 | 168.7 | 53 | 0 | 0 | 0 | 0 | 110.8 | L730 T734 | L730-T732 PolarHBondContact O-N 3.34Å; T732-T734 PolarHBondContact O-N 2.92Å; T732-T734 VanDerWaalsContact O-N 3.14Å | ||
| 733 | S | 24.3 | Very low | 25.1 | Very low | 105 Ų | 105 | 159.9 Ų | 159.9 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | trans | -60.6 | 109.6 | -176.6 | -167.3 | 0 | 0 | 0 | 0 | 113.6 | E731 | E731-S733 PolarHBondContact O-N 3.33Š| ||
| 734 | T | 23.3 | Very low | 25.2 | Very low | 134 Ų | 134 | 161.2 Ų | 161.2 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | trans | -91.7 | 102.2 | 173.3 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | T732 | T732-T734 PolarHBondContact O-N 2.92Å; T732-T734 VanDerWaalsContact O-N 3.14Å | ||
| 735 | K | 27.1 | Very low | 25.1 | Very low | 188 Ų | 188 | 162.1 Ų | 162.1 | 82% | 0.817 | 83% | 0.827 | S | S | * | * | trans | -96.5 | 136.3 | 164.2 | -74.5 | -178.1 | 177.5 | 175.6 | 0 | 110.5 | L737 | K735-L737 PolarHBondContact O-N 2.92Š| ||
| 736 | P | 29.6 | Very low | 25.1 | Very low | 122 Ų | 122 | 161.4 Ų | 161.4 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | trans | -81.3 | 120.1 | -169.5 | 30.8 | -34.6 | 0 | 0 | 0 | 112.6 | ||||
| 737 | L | 25.6 | Very low | 25.3 | Very low | 153 Ų | 153 | 161.9 Ų | 161.9 | 80% | 0.801 | 83% | 0.828 | S | S | * | * | trans | -93.3 | 107.7 | 170.9 | -163.2 | 81.2 | 0 | 0 | 0 | 110.6 | K735 Q739 | K735-L737 PolarHBondContact O-N 2.92Å; L737-Q739 PolarHBondContact O-N 3.33Å | ||
| 738 | V | 24.7 | Very low | 25.2 | Very low | 134 Ų | 134 | 167.6 Ų | 167.6 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | trans | -85.2 | 101 | 177 | 179.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 739 | Q | 25.7 | Very low | 25.3 | Very low | 166 Ų | 166 | 167.3 Ų | 167.3 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | trans | -135.4 | 98.1 | 167 | -90.5 | -172.6 | -4.4 | 0 | 0 | 113.7 | L737 | L737-Q739 PolarHBondContact O-N 3.33Š| ||
| 740 | Q | 24.7 | Very low | 25.2 | Very low | 183 Ų | 183 | 165.7 Ų | 165.7 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | 18 | 100.5 | 147 | -63.6 | 178.7 | -6.8 | 0 | 0 | 119 | K742 | Q740-K742 PolarHBondContact O-N 2.98Š| ||
| 741 | I | 24.6 | Very low | 25.2 | Very low | 165 Ų | 165 | 163.9 Ų | 163.9 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | 1.5 | 104.1 | 141.1 | -49.4 | 172.7 | 0 | 0 | 0 | 115.2 | ||||
| 742 | K | 25.3 | Very low | 25.2 | Very low | 200 Ų | 200 | 161.5 Ų | 161.5 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | -109.8 | 155.1 | 147.7 | -85.4 | -178 | 174.7 | 176.4 | 0 | 109.5 | Q740 | Q740-K742 PolarHBondContact O-N 2.98Š| ||
| 743 | K | 26.2 | Very low | 25.1 | Very low | 205 Ų | 205 | 161.1 Ų | 161.1 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -62.6 | 149.9 | -158.8 | -70.6 | 179.1 | 176.2 | 177.5 | 0 | 113.9 | ||||
| 744 | L | 25.9 | Very low | 25 | Very low | 156 Ų | 156 | 162.1 Ų | 162.1 | 82% | 0.817 | 82% | 0.819 | S | S | * | * | trans | -58.3 | 132.6 | 174.8 | -82.7 | 61.4 | 0 | 0 | 0 | 111.8 | ||||
| 745 | E | 23.6 | Very low | 25.1 | Very low | 184 Ų | 184 | 162.1 Ų | 162.1 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -112.8 | 145.6 | 146.2 | -77.3 | -164.3 | 133.5 | 0 | 0 | 109.7 | K747 | E745-K747 PolarHBondContact O-N 3.46Š| ||
| 746 | N | 25.4 | Very low | 25 | Very low | 163 Ų | 163 | 159.4 Ų | 159.4 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -78.2 | 77.1 | -167.3 | -75.1 | -43.9 | 0 | 0 | 0 | 113.5 | ||||
| 747 | K | 26.4 | Very low | 24.9 | Very low | 197 Ų | 197 | 159.4 Ų | 159.4 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -89.2 | 121.5 | 161.9 | -75.3 | -176.5 | 177.6 | 174.9 | 0 | 110.3 | E745 S749 | E745-K747 PolarHBondContact O-N 3.46Å; K747-S749 PolarHBondContact O-N 3.4Å | ||
| 748 | R | 23.2 | Very low | 25 | Very low | 248 Ų | 248 | 158.3 Ų | 158.3 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -41.5 | 121.7 | 178 | -83.5 | 174.4 | 163.9 | 153.8 | -6.7 | 110.9 | K750 | R748-K750 PolarHBondContact O-N 2.99Š| ||
| 749 | S | 26.5 | Very low | 25.2 | Very low | 111 Ų | 111 | 158.3 Ų | 158.3 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -58.4 | 124.3 | 168.3 | 35.4 | 0 | 0 | 0 | 0 | 109.4 | K747 T751 | K747-S749 PolarHBondContact O-N 3.4Å; S749-T751 PolarHBondContact O-N 3.08Å | ||
| 750 | K | 23.7 | Very low | 25.1 | Very low | 191 Ų | 191 | 155.6 Ų | 155.6 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -61.7 | 104.6 | 171.6 | -77.7 | -177.3 | 175.5 | -179.8 | 0 | 108.4 | R748 N752 | R748-K750 PolarHBondContact O-N 2.99Å; K750-N752 PolarHBondContact O-N 2.87Å; K750-N752 VanDerWaalsContact O-N 3.11Å | ||
| 751 | T | 25 | Very low | 25.2 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -67.5 | 105.8 | 159.9 | -9.6 | 0 | 0 | 0 | 0 | 106.6 | S749 V753 | S749-T751 PolarHBondContact O-N 3.08Å; T751-V753 VanDerWaalsContact C-N 3.26Å; T751-V753 PolarHBondContact O-N 2.91Å | ||
| 752 | N | 22.8 | Very low | 25.3 | Very low | 138 Ų | 138 | 154.6 Ų | 154.6 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -67.8 | 90.9 | 170.4 | -76.7 | -6.7 | 0 | 0 | 0 | 107.9 | K750 T754 | K750-N752 PolarHBondContact O-N 2.87Å; K750-N752 VanDerWaalsContact O-N 3.11Å; N752-T754 PolarHBondContact O-N 2.88Å | ||
| 753 | V | 23.4 | Very low | 25.2 | Very low | 116 Ų | 116 | 151 Ų | 151 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | trans | -74.5 | 81.9 | 170.4 | -176 | 0 | 0 | 0 | 0 | 107.3 | T751 L755 | T751-V753 VanDerWaalsContact C-N 3.26Å; T751-V753 PolarHBondContact O-N 2.91Å; V753-L755 PolarHBondContact O-N 3.05Å | ||
| 754 | T | 22.8 | Very low | 25.1 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -54.6 | 125.7 | 159.7 | 45.7 | 0 | 0 | 0 | 0 | 107.9 | N752 | N752-T754 PolarHBondContact O-N 2.88Š| ||
| 755 | L | 24.9 | Very low | 25.1 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | -69.5 | 135.7 | -175.3 | -71.8 | 87.2 | 0 | 0 | 0 | 110.6 | V753 D757 | V753-L755 PolarHBondContact O-N 3.05Å; L755-D757 VanDerWaalsContact C-N 3.33Å; L755-D757 VanDerWaalsContact CB-OD2 3.31Å; L755-D757 WeakPolarHBondContact CB-OD2 3.46Å; L755-D757 WeakPolarHBondContact CD2-OD2 3.41Å; L755-D757 PolarHBondContact O-N 3.07Å | ||
| 756 | D | 25.8 | Very low | 25 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -94 | 66.4 | 174.3 | -161.5 | -11.9 | 0 | 0 | 0 | 108.9 | N758 | D756-N758 PolarHBondContact O-N 3.5Å; D756-N758 PolarHBondContact OD1-ND2 3.27Å | ||
| 757 | D | 27 | Very low | 25.1 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 65% | 0.647 | 77% | 0.771 | S | S | * | * | trans | -79 | 49.5 | -172.4 | -93.3 | -51.4 | 0 | 0 | 0 | 113.2 | L755 V759 | L755-D757 VanDerWaalsContact C-N 3.33Å; L755-D757 VanDerWaalsContact CB-OD2 3.31Å; L755-D757 WeakPolarHBondContact CB-OD2 3.46Å; L755-D757 WeakPolarHBondContact CD2-OD2 3.41Å; L755-D757 PolarHBondContact O-N 3.07Å; D757-V759 PolarHBondContact O-N 3.36Å; D757-V759 VanDerWaalsContact O-N 3.17Å | ||
| 758 | N | 28.3 | Very low | 25.1 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | trans | -88.6 | 69.3 | -179.7 | -83.9 | -67.3 | 0 | 0 | 0 | 113.2 | D756 S760 | D756-N758 PolarHBondContact O-N 3.5Å; D756-N758 PolarHBondContact OD1-ND2 3.27Å; N758-S760 PolarHBondContact O-N 2.83Å | ||
| 759 | V | 27.7 | Very low | 25.4 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | -85.2 | 96.3 | 167.4 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | D757 S761 | D757-V759 PolarHBondContact O-N 3.36Å; D757-V759 VanDerWaalsContact O-N 3.17Å; V759-S761 PolarHBondContact O-N 3.44Å; V759-S761 VanDerWaalsContact O-N 3.09Å | ||
| 760 | S | 24.3 | Very low | 25.4 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -52.8 | 113.6 | -172.2 | -41.1 | 0 | 0 | 0 | 0 | 113.9 | N758 | N758-S760 PolarHBondContact O-N 2.83Š| ||
| 761 | S | 26.2 | Very low | 25.4 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -58.2 | 147.2 | 157.8 | 50.3 | 0 | 0 | 0 | 0 | 109.5 | V759 | V759-S761 PolarHBondContact O-N 3.44Å; V759-S761 VanDerWaalsContact O-N 3.09Å | ||
| 762 | R | 26.3 | Very low | 25.4 | Very low | 224 Ų | 224 | 135.5 Ų | 135.5 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -100.4 | 96.6 | -172.7 | -68.7 | -175.3 | -177.7 | -177.4 | 1.7 | 111.3 | ||||
| 763 | V | 23.9 | Very low | 25.4 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -65.4 | 141.6 | 162.2 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | T765 | V763-T765 PolarHBondContact O-N 2.62Å; V763-T765 VanDerWaalsContact O-N 3.15Å | ||
| 764 | L | 24.8 | Very low | 25.5 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | trans | -78.2 | 93.5 | -174.6 | -74.6 | 164.5 | 0 | 0 | 0 | 112.2 | C766 | L764-C766 PolarHBondContact O-N 2.96Š| ||
| 765 | T | 24.6 | Very low | 25.6 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -77.1 | 104.9 | 172.4 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | V763 | V763-T765 PolarHBondContact O-N 2.62Å; V763-T765 VanDerWaalsContact O-N 3.15Å | ||
| 766 | C | 23 | Very low | 25.5 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -66.8 | 150 | 166.9 | -91 | 0 | 0 | 0 | 0 | 111.8 | L764 | L764-C766 PolarHBondContact O-N 2.96Š| ||
| 767 | P | 26.6 | Very low | 25.5 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | -67.8 | 142.2 | -178.4 | -20.2 | 33.7 | 0 | 0 | 0 | 113.6 | T769 | P767-T769 PolarHBondContact O-N 3.24Š| ||
| 768 | S | 27.4 | Very low | 25.4 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 26.5 | -173.9 | 66.1 | 0 | 0 | 0 | 0 | 115.5 | S771 | S768-S771 PolarHBondContact O-OG 3.17Š|
| 769 | T | 29 | Very low | 25.3 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -15.1 | -180 | 42.5 | 0 | 0 | 0 | 0 | 113.5 | P767 | P767-T769 PolarHBondContact O-N 3.24Š|
| 770 | L | 25.8 | Very low | 25.1 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -101.6 | -2 | 177.2 | -79.4 | 159.3 | 0 | 0 | 0 | 113.9 | R772 | L770-R772 PolarHBondContact O-N 2.93Š|
| 771 | S | 24 | Very low | 25.2 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | trans | -91.7 | 64.2 | -177.1 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | S768 | S768-S771 PolarHBondContact O-OG 3.17Š| ||
| 772 | R | 24.2 | Very low | 25 | Very low | 239 Ų | 239 | 133.7 Ų | 133.7 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -138.5 | 107.7 | 160.9 | -81.3 | -162.4 | 169 | -157.5 | -4.9 | 110.9 | L770 S774 | L770-R772 PolarHBondContact O-N 2.93Å; R772-S774 PolarHBondContact O-N 3.4Å | ||
| 773 | S | 23.9 | Very low | 25 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -70.9 | 118.6 | 178.7 | 38.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 774 | S | 24.9 | Very low | 25.1 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -100.1 | 109 | 149.7 | 55.9 | 0 | 0 | 0 | 0 | 107.6 | R772 C776 | R772-S774 PolarHBondContact O-N 3.4Å; S774-C776 PolarHBondContact O-N 3Å | ||
| 775 | N | 24.9 | Very low | 25.2 | Very low | 148 Ų | 148 | 126 Ų | 126 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -67.4 | 100.1 | -176.3 | -67 | -1.9 | 0 | 0 | 0 | 110.7 | P777 | N775-P777 WeakPolarHBondContact O-CD 3.47Š| ||
| 776 | C | 22.7 | Very low | 25.4 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 117.9 | 163.4 | -67.7 | 0 | 0 | 0 | 0 | 108.4 | S774 | S774-C776 PolarHBondContact O-N 3Š|
| 777 | P | 26.4 | Very low | 25.8 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 147.4 | 177.5 | 29.4 | -34.2 | 0 | 0 | 0 | 110.8 | N775 L779 | N775-P777 WeakPolarHBondContact O-CD 3.47Å; P777-L779 PolarHBondContact O-N 2.95Å |
| 778 | A | 25.5 | Very low | 26.1 | Very low | 78 Ų | 78 | 127.4 Ų | 127.4 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 126.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S780 | A778-S780 PolarHBondContact O-N 2.93Š|
| 779 | L | 25.4 | Very low | 26.6 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -83.8 | 97.7 | 176.6 | -74.8 | 165.7 | 0 | 0 | 0 | 109.9 | P777 L781 | P777-L779 PolarHBondContact O-N 2.95Å; L779-L781 HydrophobicContact CB-CD1 4.48Å; L779-L781 HydrophobicContact CB-CG 4.38Å; L779-L781 PolarHBondContact O-N 2.78Å | ||
| 780 | S | 23.8 | Very low | 27.1 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -70.9 | 76.3 | 171.8 | 38.3 | 0 | 0 | 0 | 0 | 111.4 | A778 S782 | A778-S780 PolarHBondContact O-N 2.93Å; S780-S782 PolarHBondContact O-N 2.92Å | ||
| 781 | L | 26.2 | Very low | 27.6 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | -69 | 89 | -179.1 | -79.2 | 158.2 | 0 | 0 | 0 | 111.8 | L779 | L779-L781 HydrophobicContact CB-CD1 4.48Å; L779-L781 HydrophobicContact CB-CG 4.38Å; L779-L781 PolarHBondContact O-N 2.78Å | ||
| 782 | S | 22.2 | Very low | 28.3 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -109.8 | 152.9 | 171 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | S780 | S780-S782 PolarHBondContact O-N 2.92Š| ||
| 783 | A | 26 | Very low | 29.3 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 82.3 | 83.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 784 | S | 26.8 | Very low | 30.2 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 76% | 0.762 | 70% | 0.699 | S | S | * | * | trans | 57.5 | 83 | 139.2 | 64.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 785 | L | 27.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 117.7 Ų | 117.7 | 81% | 0.812 | 68% | 0.68 | S | S | * | * | trans | -90.2 | 100.8 | 157.3 | -102 | 160.7 | 0 | 0 | 0 | 110.6 | S787 | L785-S787 PolarHBondContact O-N 2.81Š| ||
| 786 | K | 28.3 | Very low | 32.1 | Very low | 206 Ų | 206 | 113.8 Ų | 113.8 | 90% | 0.896 | 67% | 0.665 | S | S | * | * | trans | -82.5 | 86 | 170.8 | -83.3 | -174.8 | 173.7 | 176.7 | 0 | 110.8 | ||||
| 787 | S | 31.2 | Very low | 33.4 | Very low | 57 Ų | 57 | 114.7 Ų | 114.7 | 40% | 0.399 | 66% | 0.662 | S | S | . | * | trans | -146.8 | -4 | 173.5 | 49.8 | 0 | 0 | 0 | 0 | 116.9 | L785 V789 Q790 | L785-S787 PolarHBondContact O-N 2.81Å; S787-V789 PolarHBondContact O-N 3.3Å; S787-Q790 PolarHBondContact O-N 3.43Å; S787-Q790 VanDerWaalsContact O-N 3.08Å | ||
| 788 | D | 32.2 | Very low | 34.2 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 66% | 0.663 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -14.9 | -175.1 | -68 | -21.6 | 0 | 0 | 0 | 116.1 | Q790 L791 | D788-Q790 PolarHBondContact O-N 2.85Å; D788-L791 PolarHBondContact O-N 3.19Å |
| 789 | V | 38.5 | Very low | 35 | Very low | 126 Ų | 126 | 119 Ų | 119 | 76% | 0.764 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -57.9 | -37.7 | 173.5 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | S787 L791 F792 S793 | S787-V789 PolarHBondContact O-N 3.3Å; V789-L791 PolarHBondContact O-N 2.91Å; V789-F792 PolarHBondContact O-N 3.11Å; V789-S793 PolarHBondContact O-N 3.4Å; V789-S793 VanDerWaalsContact O-N 3.13Å; V789-S793 PolarHBondContact O-OG 3.43Å |
| 790 | Q | 38.6 | Very low | 36.3 | Very low | 140 Ų | 140 | 114.7 Ų | 114.7 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.1 | -34.7 | -177.1 | -76.4 | -173.1 | -26.3 | 0 | 0 | 113.3 | S787 D788 S793 L794 | S787-Q790 PolarHBondContact O-N 3.43Å; S787-Q790 VanDerWaalsContact O-N 3.08Å; D788-Q790 PolarHBondContact O-N 2.85Å; Q790-S793 WeakPolarHBondContact CA-OG 3.41Å; Q790-S793 PolarHBondContact O-OG 2.76Å; Q790-L794 WeakPolarHBondContact O-CB 3.38Å; Q790-L794 WeakPolarHBondContact O-CG 3.5Å; Q790-L794 PolarHBondContact O-N 3.22Å |
| 791 | L | 36.1 | Very low | 37.4 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.4 | -39.3 | 179.3 | -173.2 | 65.4 | 0 | 0 | 0 | 111.3 | D788 V789 L794 L795 | D788-L791 PolarHBondContact O-N 3.19Å; V789-L791 PolarHBondContact O-N 2.91Å; L791-L794 PolarHBondContact O-N 3.46Å; L791-L795 HydrophobicContact CG-CD1 4.26Å; L791-L795 WeakPolarHBondContact O-CB 3.45Å; L791-L795 WeakPolarHBondContact O-CG 3.44Å; L791-L795 PolarHBondContact O-N 2.97Å |
| 792 | F | 38.9 | Very low | 38.6 | Very low | 154 Ų | 154 | 110.7 Ų | 110.7 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.2 | -36.9 | 176.2 | -92.6 | -79.7 | 0 | 0 | 0 | 112.8 | V789 L795 S796 | V789-F792 PolarHBondContact O-N 3.11Å; F792-L795 PolarHBondContact O-N 3.2Å; F792-S796 PolarHBondContact O-N 2.9Å; F792-S796 PolarHBondContact O-OG 3.43Å |
| 793 | S | 45.1 | Very low | 39.8 | Very low | 48 Ų | 48 | 109.2 Ų | 109.2 | 34% | 0.336 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.9 | -43.3 | 170.9 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | V789 Q790 L795 S796 D797 | V789-S793 PolarHBondContact O-N 3.4Å; V789-S793 VanDerWaalsContact O-N 3.13Å; V789-S793 PolarHBondContact O-OG 3.43Å; Q790-S793 WeakPolarHBondContact CA-OG 3.41Å; Q790-S793 PolarHBondContact O-OG 2.76Å; S793-L795 PolarHBondContact O-N 2.97Å; S793-S796 WeakPolarHBondContact CA-OG 3.49Å; S793-S796 PolarHBondContact O-N 3.27Å; S793-S796 PolarHBondContact O-OG 3.34Å; S793-D797 WeakPolarHBondContact O-CB 3.42Å; S793-D797 PolarHBondContact O-N 2.97Å |
| 794 | L | 44.2 | Very low | 40.8 | Very low | 102 Ų | 102 | 107 Ų | 107 | 53% | 0.534 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.8 | -28.1 | 175.7 | -83.6 | 164.1 | 0 | 0 | 0 | 113.5 | Q790 L791 | Q790-L794 WeakPolarHBondContact O-CB 3.38Å; Q790-L794 WeakPolarHBondContact O-CG 3.5Å; Q790-L794 PolarHBondContact O-N 3.22Å; L791-L794 PolarHBondContact O-N 3.46Å |
| 795 | L | 39 | Very low | 41.8 | Very low | 60 Ų | 60 | 110 Ų | 110 | 31% | 0.314 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -81.1 | -41.2 | 174.2 | -73.6 | 169.5 | 0 | 0 | 0 | 112.2 | L791 F792 S793 D797 K798 Y799 L804 | L791-L795 HydrophobicContact CG-CD1 4.26Å; L791-L795 WeakPolarHBondContact O-CB 3.45Å; L791-L795 WeakPolarHBondContact O-CG 3.44Å; L791-L795 PolarHBondContact O-N 2.97Å; F792-L795 PolarHBondContact O-N 3.2Å; S793-L795 PolarHBondContact O-N 2.97Å; L795-D797 VanDerWaalsContact C-N 3.32Å; L795-D797 PolarHBondContact O-N 2.94Å; L795-K798 PolarHBondContact O-N 2.73Å; L795-Y799 HydrophobicContact CD2-CD2 4.05Å; L795-Y799 HydrophobicContact CD2-CE2 4.07Å; L795-Y799 PolarHBondContact O-N 3.06Å; L795-L804 HydrophobicContact CB-CD2 4.19Å |
| 796 | S | 49.5 | Very low | 42.8 | Very low | 66 Ų | 66 | 110.2 Ų | 110.2 | 46% | 0.462 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.7 | -29.2 | 176.2 | 60.5 | 0 | 0 | 0 | 0 | 113.7 | F792 S793 K798 | F792-S796 PolarHBondContact O-N 2.9Å; F792-S796 PolarHBondContact O-OG 3.43Å; S793-S796 WeakPolarHBondContact CA-OG 3.49Å; S793-S796 PolarHBondContact O-N 3.27Å; S793-S796 PolarHBondContact O-OG 3.34Å; S796-K798 VanDerWaalsContact C-N 3.29Å |
| 797 | D | 50.1 | Low | 43.4 | Very low | 133 Ų | 133 | 103.2 Ų | 103.2 | 71% | 0.711 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -19 | 178.5 | -68.3 | -5.4 | 0 | 0 | 0 | 112.5 | S793 L795 | S793-D797 WeakPolarHBondContact O-CB 3.42Å; S793-D797 PolarHBondContact O-N 2.97Å; L795-D797 VanDerWaalsContact C-N 3.32Å; L795-D797 PolarHBondContact O-N 2.94Å |
| 798 | K | 44 | Very low | 44.2 | Very low | 164 Ų | 164 | 106 Ų | 106 | 71% | 0.713 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -21.9 | -179.2 | -72.7 | -164.5 | 173.1 | -171.7 | 0 | 115.3 | L795 S796 | L795-K798 PolarHBondContact O-N 2.73Å; S796-K798 VanDerWaalsContact C-N 3.29Å |
| 799 | Y | 41.7 | Very low | 44.8 | Very low | 118 Ų | 118 | 108.1 Ų | 108.1 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -131.1 | 133.9 | -177.5 | -58.5 | -75.2 | 0 | 0 | 0 | 110 | L795 I803 | L795-Y799 HydrophobicContact CD2-CD2 4.05Å; L795-Y799 HydrophobicContact CD2-CE2 4.07Å; L795-Y799 PolarHBondContact O-N 3.06Å; Y799-I803 HydrophobicContact CD1-CD1 4.47Å; Y799-I803 HydrophobicContact CD1-CG2 4.13Å; Y799-I803 HydrophobicContact CG-CG2 4.4Å |
| 800 | S | 53 | Low | 44.9 | Very low | 60 Ų | 60 | 106 Ų | 106 | 42% | 0.42 | 52% | 0.524 | S | S | . | . | trans | -59.7 | 154.3 | 177.5 | 69.7 | 0 | 0 | 0 | 0 | 111 | D802 I803 L804 | S800-D802 PolarHBondContact O-N 3.37Å; S800-I803 PolarHBondContact O-N 3.36Å; S800-I803 WeakPolarHBondContact OG-CG1 3.43Å; S800-I803 PolarHBondContact OG-N 3.49Å; S800-L804 PolarHBondContact O-N 3.32Å; S800-L804 VanDerWaalsContact O-N 3.12Å | ||
| 801 | S | 47.2 | Very low | 44.9 | Very low | 86 Ų | 86 | 103.9 Ų | 103.9 | 60% | 0.601 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -51.1 | -31.2 | 174.7 | 47.7 | 0 | 0 | 0 | 0 | 112.7 | R805 | S801-R805 WeakPolarHBondContact O-CB 3.46Å; S801-R805 PolarHBondContact O-N 2.97Å |
| 802 | D | 51 | Low | 44.6 | Very low | 106 Ų | 106 | 100.7 Ų | 100.7 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -77.1 | -34.1 | -179.3 | -54.2 | -49.5 | 0 | 0 | 0 | 112.7 | S800 W806 | S800-D802 PolarHBondContact O-N 3.37Å; D802-W806 VanDerWaalsContact O-CB 3.22Å; D802-W806 WeakPolarHBondContact O-CB 3.35Å; D802-W806 PolarHBondContact O-N 3.08Å |
| 803 | I | 46.4 | Very low | 44.5 | Very low | 79 Ų | 79 | 99.2 Ų | 99.2 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -46.3 | 171.4 | -67.2 | 169 | 0 | 0 | 0 | 109.8 | Y799 S800 R805 W806 C807 | Y799-I803 HydrophobicContact CD1-CD1 4.47Å; Y799-I803 HydrophobicContact CD1-CG2 4.13Å; Y799-I803 HydrophobicContact CG-CG2 4.4Å; S800-I803 PolarHBondContact O-N 3.36Å; S800-I803 WeakPolarHBondContact OG-CG1 3.43Å; S800-I803 PolarHBondContact OG-N 3.49Å; I803-R805 VanDerWaalsContact C-N 3.34Å; I803-R805 PolarHBondContact O-N 2.81Å; I803-W806 WeakPolarHBondContact O-CB 3.34Å; I803-W806 PolarHBondContact O-N 3.4Å; I803-W806 VanDerWaalsContact O-N 3.15Å; I803-C807 PolarHBondContact O-N 3.13Å; I803-C807 PolarHBondContact O-SG 3.29Å; I803-C807 VanDerWaalsContact O-SG 3.38Å |
| 804 | L | 48.3 | Very low | 44.3 | Very low | 46 Ų | 46 | 99.9 Ų | 99.9 | 24% | 0.241 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -62 | -42.7 | 177.4 | -63.4 | 176.1 | 0 | 0 | 0 | 111.3 | L795 S800 W806 C807 D808 | L795-L804 HydrophobicContact CB-CD2 4.19Å; S800-L804 PolarHBondContact O-N 3.32Å; S800-L804 VanDerWaalsContact O-N 3.12Å; L804-W806 VanDerWaalsContact C-N 3.28Å; L804-W806 PolarHBondContact O-N 3.21Å; L804-C807 PolarHBondContact O-N 3.28Å; L804-D808 PolarHBondContact O-N 2.92Å |
| 805 | R | 47.4 | Very low | 43.8 | Very low | 171 Ų | 171 | 99.4 Ų | 99.4 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.4 | -25.7 | 175.6 | -164.3 | 178.7 | -156.5 | 168.9 | 5.7 | 113.5 | S801 I803 R809 | S801-R805 WeakPolarHBondContact O-CB 3.46Å; S801-R805 PolarHBondContact O-N 2.97Å; I803-R805 VanDerWaalsContact C-N 3.34Å; I803-R805 PolarHBondContact O-N 2.81Å; R805-R809 WeakPolarHBondContact O-CG 3.38Å; R805-R809 PolarHBondContact O-N 2.92Å; R805-R809 VanDerWaalsContact O-N 3.12Å |
| 806 | W | 47.1 | Very low | 43.6 | Very low | 160 Ų | 160 | 103.5 Ų | 103.5 | 61% | 0.606 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76.1 | -39.5 | 172.4 | -178.6 | 84.9 | 0 | 0 | 0 | 111.5 | D802 I803 L804 R809 L810 | D802-W806 VanDerWaalsContact O-CB 3.22Å; D802-W806 WeakPolarHBondContact O-CB 3.35Å; D802-W806 PolarHBondContact O-N 3.08Å; I803-W806 WeakPolarHBondContact O-CB 3.34Å; I803-W806 PolarHBondContact O-N 3.4Å; I803-W806 VanDerWaalsContact O-N 3.15Å; L804-W806 VanDerWaalsContact C-N 3.28Å; L804-W806 PolarHBondContact O-N 3.21Å; W806-R809 WeakPolarHBondContact O-CB 3.5Å; W806-R809 PolarHBondContact O-N 3.03Å; W806-L810 HydrophobicContact CD2-CD1 4.08Å; W806-L810 HydrophobicContact CE3-CD1 3.87Å; W806-L810 HydrophobicContact CH2-CD1 3.46Å; W806-L810 VanDerWaalsContact CH2-CD1 3.46Å; W806-L810 HydrophobicContact CZ2-CD1 3.68Å; W806-L810 HydrophobicContact CZ3-CD1 3.56Å; W806-L810 PolarHBondContact O-N 2.91Å |
| 807 | C | 42.5 | Very low | 43.1 | Very low | 60 Ų | 60 | 107.3 Ų | 107.3 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -40.8 | 170.6 | -66 | 0 | 0 | 0 | 0 | 112.6 | I803 L804 R809 L810 S811 | I803-C807 PolarHBondContact O-N 3.13Å; I803-C807 PolarHBondContact O-SG 3.29Å; I803-C807 VanDerWaalsContact O-SG 3.38Å; L804-C807 PolarHBondContact O-N 3.28Å; C807-R809 VanDerWaalsContact C-N 3.3Å; C807-R809 PolarHBondContact O-N 3.48Å; C807-L810 PolarHBondContact O-N 3.08Å; C807-S811 PolarHBondContact O-N 2.98Å; C807-S811 PolarHBondContact O-OG 3.41Å |
| 808 | D | 48 | Very low | 42.2 | Very low | 115 Ų | 115 | 108.3 Ų | 108.3 | 62% | 0.615 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61 | -38.2 | 171.4 | -83.1 | -10.9 | 0 | 0 | 0 | 111.6 | L804 S811 S812 | L804-D808 PolarHBondContact O-N 2.92Å; D808-S811 WeakPolarHBondContact CA-OG 3.39Å; D808-S811 PolarHBondContact O-N 3.09Å; D808-S811 PolarHBondContact O-OG 2.93Å; D808-S812 PolarHBondContact O-N 3Å |
| 809 | R | 44 | Very low | 41.6 | Very low | 169 Ų | 169 | 105.9 Ų | 105.9 | 64% | 0.638 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.2 | -43 | 175 | -85.8 | 177.3 | 159.5 | 179.6 | -8.7 | 112.9 | R805 W806 C807 S811 S812 | R805-R809 WeakPolarHBondContact O-CG 3.38Å; R805-R809 PolarHBondContact O-N 2.92Å; R805-R809 VanDerWaalsContact O-N 3.12Å; W806-R809 WeakPolarHBondContact O-CB 3.5Å; W806-R809 PolarHBondContact O-N 3.03Å; C807-R809 VanDerWaalsContact C-N 3.3Å; C807-R809 PolarHBondContact O-N 3.48Å; R809-S811 VanDerWaalsContact C-N 3.27Å; R809-S811 PolarHBondContact O-N 2.99Å; R809-S812 WeakPolarHBondContact O-CB 3.23Å; R809-S812 PolarHBondContact O-N 2.97Å; R809-S812 VanDerWaalsContact O-N 3.1Å; R809-S812 PolarHBondContact O-OG 2.37Å |
| 810 | L | 40.3 | Very low | 41 | Very low | 82 Ų | 82 | 104.8 Ų | 104.8 | 43% | 0.429 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.4 | -32 | 175.7 | -89.4 | 169.7 | 0 | 0 | 0 | 113.2 | W806 C807 F815 | W806-L810 HydrophobicContact CD2-CD1 4.08Å; W806-L810 HydrophobicContact CE3-CD1 3.87Å; W806-L810 HydrophobicContact CH2-CD1 3.46Å; W806-L810 VanDerWaalsContact CH2-CD1 3.46Å; W806-L810 HydrophobicContact CZ2-CD1 3.68Å; W806-L810 HydrophobicContact CZ3-CD1 3.56Å; W806-L810 PolarHBondContact O-N 2.91Å; C807-L810 PolarHBondContact O-N 3.08Å; L810-F815 HydrophobicContact CD2-CE1 4.23Å; L810-F815 HydrophobicContact CD2-CE2 4.27Å; L810-F815 HydrophobicContact CD2-CZ 4.1Å |
| 811 | S | 39.1 | Very low | 39.9 | Very low | 95 Ų | 95 | 111.9 Ų | 111.9 | 66% | 0.664 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -86.5 | -5.4 | 174.7 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | C807 D808 R809 | C807-S811 PolarHBondContact O-N 2.98Å; C807-S811 PolarHBondContact O-OG 3.41Å; D808-S811 WeakPolarHBondContact CA-OG 3.39Å; D808-S811 PolarHBondContact O-N 3.09Å; D808-S811 PolarHBondContact O-OG 2.93Å; R809-S811 VanDerWaalsContact C-N 3.27Å; R809-S811 PolarHBondContact O-N 2.99Å |
| 812 | S | 29.8 | Very low | 38.9 | Very low | 40 Ų | 40 | 114.3 Ų | 114.3 | 28% | 0.28 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -78.8 | 128.3 | 172.2 | 80.1 | 0 | 0 | 0 | 0 | 111.2 | D808 R809 S814 F815 | D808-S812 PolarHBondContact O-N 3Å; R809-S812 WeakPolarHBondContact O-CB 3.23Å; R809-S812 PolarHBondContact O-N 2.97Å; R809-S812 VanDerWaalsContact O-N 3.1Å; R809-S812 PolarHBondContact O-OG 2.37Å; S812-S814 WeakPolarHBondContact CB-OG 3.42Å; S812-S814 PolarHBondContact O-N 3.01Å; S812-S814 PolarHBondContact OG-OG 3.39Å; S812-F815 PolarHBondContact O-N 2.9Å; S812-F815 VanDerWaalsContact O-N 3.12Å |
| 813 | S | 37.2 | Very low | 37.6 | Very low | 124 Ų | 124 | 115.3 Ų | 115.3 | 87% | 0.867 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -8.6 | -179.3 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | F815 | S813-F815 VanDerWaalsContact C-N 3.34Š|
| 814 | S | 40.6 | Very low | 36.7 | Very low | 62 Ų | 62 | 116.9 Ų | 116.9 | 43% | 0.434 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.2 | -20.9 | 171.7 | 27.5 | 0 | 0 | 0 | 0 | 114.7 | S812 L816 N817 | S812-S814 WeakPolarHBondContact CB-OG 3.42Å; S812-S814 PolarHBondContact O-N 3.01Å; S812-S814 PolarHBondContact OG-OG 3.39Å; S814-L816 VanDerWaalsContact C-N 3.28Å; S814-L816 PolarHBondContact O-N 3.36Å; S814-L816 VanDerWaalsContact O-N 3.15Å; S814-N817 PolarHBondContact O-N 3.03Å |
| 815 | F | 34.7 | Very low | 35.6 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 40% | 0.404 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -55.4 | -38 | -170.9 | -177.6 | -104.7 | 0 | 0 | 0 | 114.1 | L810 S812 S813 N817 E818 I819 | L810-F815 HydrophobicContact CD2-CE1 4.23Å; L810-F815 HydrophobicContact CD2-CE2 4.27Å; L810-F815 HydrophobicContact CD2-CZ 4.1Å; S812-F815 PolarHBondContact O-N 2.9Å; S812-F815 VanDerWaalsContact O-N 3.12Å; S813-F815 VanDerWaalsContact C-N 3.34Å; F815-N817 PolarHBondContact O-N 3.27Å; F815-E818 PolarHBondContact O-N 3.01Å; F815-I819 HydrophobicContact CE1-CD1 4.13Å; F815-I819 HydrophobicContact CZ-CD1 4.23Å |
| 816 | L | 34.6 | Very low | 34.5 | Very low | 146 Ų | 146 | 115.3 Ų | 115.3 | 76% | 0.764 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -70.1 | -12.7 | -179.5 | -67.4 | 175.4 | 0 | 0 | 0 | 114.5 | S814 | S814-L816 VanDerWaalsContact C-N 3.28Å; S814-L816 PolarHBondContact O-N 3.36Å; S814-L816 VanDerWaalsContact O-N 3.15Å |
| 817 | N | 39.1 | Very low | 33.5 | Very low | 146 Ų | 146 | 117 Ų | 117 | 78% | 0.781 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -96.8 | -12.8 | 179.7 | -72.6 | -11.8 | 0 | 0 | 0 | 113.8 | S814 F815 | S814-N817 PolarHBondContact O-N 3.03Å; F815-N817 PolarHBondContact O-N 3.27Å |
| 818 | E | 31.2 | Very low | 32.6 | Very low | 153 Ų | 153 | 121.6 Ų | 121.6 | 72% | 0.715 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -102.6 | 2.5 | -175.7 | -70.7 | -164.3 | 151.3 | 0 | 0 | 114.6 | F815 P820 | F815-E818 PolarHBondContact O-N 3.01Å; E818-P820 WeakPolarHBondContact O-CD 3.08Å |
| 819 | I | 30.1 | Very low | 31.3 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 59% | 0.585 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -84.7 | 107.2 | 168.9 | -58.5 | 180 | 0 | 0 | 0 | 108.4 | F815 | F815-I819 HydrophobicContact CE1-CD1 4.13Å; F815-I819 HydrophobicContact CZ-CD1 4.23Å |
| 820 | P | 30.5 | Very low | 30.2 | Very low | 94 Ų | 94 | 119 Ų | 119 | 61% | 0.61 | 70% | 0.697 | S | S | * | * | trans | -78.4 | 139.6 | -169.6 | -13 | 31.1 | 0 | 0 | 0 | 111.7 | E818 I822 | E818-P820 WeakPolarHBondContact O-CD 3.08Å; P820-I822 HydrophobicContact CB-CD1 4.34Å; P820-I822 HydrophobicContact CB-CG1 4.26Å; P820-I822 PolarHBondContact O-N 2.88Å | ||
| 821 | K | 29.6 | Very low | 29.3 | Very low | 209 Ų | 209 | 122 Ų | 122 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | trans | -70.2 | 88.2 | 173.7 | -66.5 | -178.4 | 179.8 | -179.4 | 0 | 110.7 | ||||
| 822 | I | 25.7 | Very low | 28.6 | Very low | 138 Ų | 138 | 123 Ų | 123 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | trans | -101 | 153.7 | 173.8 | -62.2 | 172 | 0 | 0 | 0 | 108.3 | P820 | P820-I822 HydrophobicContact CB-CD1 4.34Å; P820-I822 HydrophobicContact CB-CG1 4.26Å; P820-I822 PolarHBondContact O-N 2.88Å | ||
| 823 | C | 23.5 | Very low | 28.2 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | trans | 70.9 | 37.9 | -178.2 | -63.1 | 0 | 0 | 0 | 0 | 117.2 | S825 | C823-S825 PolarHBondContact O-N 3.12Š| ||
| 824 | S | 27.9 | Very low | 27.5 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -70.2 | 116.2 | 144.3 | -60.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 825 | S | 24.1 | Very low | 26.8 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | -61.1 | 140.1 | 169.5 | 53.8 | 0 | 0 | 0 | 0 | 109.4 | C823 | C823-S825 PolarHBondContact O-N 3.12Š| ||
| 826 | G | 26 | Very low | 26.1 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | cis | 98 | 15.6 | 48.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 827 | Q | 25.8 | Very low | 25.7 | Very low | 195 Ų | 195 | 136 Ų | 136 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -75.5 | 148.7 | 166.5 | -78.6 | -168.2 | -21.1 | 0 | 0 | 111.9 | ||||
| 828 | I | 22.7 | Very low | 24.8 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -104.3 | 150.9 | -164.8 | -61.8 | 165.1 | 0 | 0 | 0 | 109.9 | ||||
| 829 | S | 21 | Very low | 24.4 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 83.8 | 142.1 | -177.8 | -35.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 830 | S | 21.7 | Very low | 24 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | cis | -139.9 | 165.2 | 7.7 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | S832 | S830-S832 PolarHBondContact O-N 3.46Š| ||
| 831 | T | 21 | Very low | 23.7 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -72.4 | 117.8 | -179.6 | 47.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 832 | S | 22.9 | Very low | 23.5 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -130.8 | 126.5 | 156.3 | 62.3 | 0 | 0 | 0 | 0 | 110.3 | S830 | S830-S832 PolarHBondContact O-N 3.46Š| ||
| 833 | T | 21.6 | Very low | 23.3 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | trans | -93.8 | 156.6 | 178.6 | 48.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 834 | N | 23.4 | Very low | 23.3 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | 77.1 | 90.6 | 164.9 | -52.4 | -31.4 | 0 | 0 | 0 | 117.8 | ||||
| 835 | S | 25.2 | Very low | 23.1 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | -148.4 | 122.2 | 117 | 56.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 836 | K | 20.9 | Very low | 23.1 | Very low | 210 Ų | 210 | 137.3 Ų | 137.3 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | trans | -90.3 | 124.1 | 164.4 | -77.2 | -179 | 176.6 | 178.7 | 0 | 107.8 | ||||
| 837 | T | 24.8 | Very low | 22.9 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -123.8 | 113.5 | 156.9 | 31.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 838 | H | 21.3 | Very low | 22.8 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -89.5 | 117 | -174.6 | -156.8 | -115.3 | 0 | 0 | 0 | 108.3 | Q840 | H838-Q840 PolarHBondContact CE1-OE1 2.9Å; H838-Q840 PolarHBondContact ND1-OE1 3.06Å | ||
| 839 | L | 23.2 | Very low | 22.9 | Very low | 180 Ų | 180 | 136 Ų | 136 | 94% | 0.942 | 80% | 0.799 | S | S | * | * | trans | -112.1 | 114.7 | 166.1 | -86.3 | 172.2 | 0 | 0 | 0 | 108.7 | ||||
| 840 | Q | 20.2 | Very low | 22.9 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 70% | 0.696 | 80% | 0.799 | S | S | * | * | trans | -128.9 | 116.1 | -166.3 | -175.5 | 179.4 | 11.5 | 0 | 0 | 107.9 | H838 | H838-Q840 PolarHBondContact CE1-OE1 2.9Å; H838-Q840 PolarHBondContact ND1-OE1 3.06Å | ||
| 841 | V | 24.9 | Very low | 23.1 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -127.3 | 130.9 | 172.9 | -178.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 842 | P | 25.5 | Very low | 23.4 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | trans | -91.2 | 158.7 | -152.7 | 34.7 | -37.6 | 0 | 0 | 0 | 114.9 | ||||
| 843 | V | 21.9 | Very low | 23.4 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -65.6 | 131.1 | 160.1 | 175.8 | 0 | 0 | 0 | 0 | 109.2 | T845 | V843-T845 HydrophobicContact CG1-CG2 4.09Š| ||
| 844 | V | 23.7 | Very low | 23.6 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -126.4 | 108.1 | 160.1 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 845 | T | 22.3 | Very low | 23.7 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | trans | -75.6 | 136.2 | 173.8 | 41.6 | 0 | 0 | 0 | 0 | 110.9 | V843 | V843-T845 HydrophobicContact CG1-CG2 4.09Š| ||
| 846 | V | 25.3 | Very low | 23.7 | Very low | 140 Ų | 140 | 141 Ų | 141 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -118.3 | 115.7 | 156.5 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 847 | E | 21.3 | Very low | 23.9 | Very low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -75.8 | 141.5 | -175.3 | -60 | 175.4 | 122.4 | 0 | 0 | 111 | ||||
| 848 | A | 24.8 | Very low | 24 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -118.9 | 135.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 849 | P | 23.9 | Very low | 24.3 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -75.8 | 151.4 | -155.3 | -20.1 | 34.7 | 0 | 0 | 0 | 115 | T851 | P849-T851 PolarHBondContact O-N 3.33Š| ||
| 850 | Q | 21.3 | Very low | 24.4 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -57.4 | 127.7 | 169 | -62.6 | 174 | -2.1 | 0 | 0 | 110.4 | ||||
| 851 | T | 26.7 | Very low | 24.7 | Very low | 133 Ų | 133 | 144 Ų | 144 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -119.4 | 129.7 | 161.4 | 42 | 0 | 0 | 0 | 0 | 108.2 | P849 S853 | P849-T851 PolarHBondContact O-N 3.33Å; T851-S853 PolarHBondContact O-N 3.29Å | ||
| 852 | H | 27.1 | Very low | 24.8 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | -70 | 118.8 | -160.7 | -65.6 | -81.9 | 0 | 0 | 0 | 112.7 | S854 | H852-S854 PolarHBondContact O-N 3.38Š| ||
| 853 | S | 22.2 | Very low | 24.8 | Very low | 122 Ų | 122 | 147 Ų | 147 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -67.2 | 122.7 | 169 | 42 | 0 | 0 | 0 | 0 | 110.4 | T851 | T851-S853 PolarHBondContact O-N 3.29Š| ||
| 854 | S | 25.8 | Very low | 25 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | -127.4 | 142.8 | 165.9 | -75.3 | 0 | 0 | 0 | 0 | 108.1 | H852 | H852-S854 PolarHBondContact O-N 3.38Š| ||
| 855 | P | 26.6 | Very low | 25.2 | Very low | 126 Ų | 126 | 149 Ų | 149 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -68.8 | 136.8 | -149.8 | 22.4 | -33.7 | 0 | 0 | 0 | 114.2 | K857 | P855-K857 PolarHBondContact O-N 3.07Å; P855-K857 VanDerWaalsContact O-N 3.12Å | ||
| 856 | I | 24.7 | Very low | 25.5 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 80% | 0.795 | 81% | 0.806 | S | S | * | * | trans | -63.8 | 110.5 | 177.1 | -62.8 | 169.5 | 0 | 0 | 0 | 108.8 | N858 | I856-N858 PolarHBondContact O-N 3.38Š| ||
| 857 | K | 25.3 | Very low | 25.6 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -67.3 | 120.5 | 162.9 | -72.7 | -177.5 | 177.3 | 178.3 | 0 | 108.1 | P855 K859 | P855-K857 PolarHBondContact O-N 3.07Å; P855-K857 VanDerWaalsContact O-N 3.12Å; K857-K859 PolarHBondContact O-N 2.93Å | ||
| 858 | N | 25.3 | Very low | 25.9 | Very low | 151 Ų | 151 | 149.3 Ų | 149.3 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | -49.4 | 111.5 | 176 | -73.1 | -21.5 | 0 | 0 | 0 | 110.2 | I856 Q860 | I856-N858 PolarHBondContact O-N 3.38Å; N858-Q860 PolarHBondContact O-N 3.07Å | ||
| 859 | K | 27.7 | Very low | 26 | Very low | 203 Ų | 203 | 152 Ų | 152 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 123.8 | 174.2 | -80 | -175.3 | 175 | 178.8 | 0 | 108.1 | K857 L861 | K857-K859 PolarHBondContact O-N 2.93Å; K859-L861 PolarHBondContact O-N 3.31Å |
| 860 | Q | 26.8 | Very low | 26.1 | Very low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 134.9 | 177.6 | -69.1 | 170.7 | -29.3 | 0 | 0 | 109.6 | N858 C862 | N858-Q860 PolarHBondContact O-N 3.07Å; Q860-C862 PolarHBondContact O-N 3.43Å |
| 861 | L | 26.5 | Very low | 26.2 | Very low | 172 Ų | 172 | 150.8 Ų | 150.8 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 126.4 | 171 | -152.9 | 74.6 | 0 | 0 | 0 | 108.1 | K859 K863 | K859-L861 PolarHBondContact O-N 3.31Å; L861-K863 PolarHBondContact O-N 3.49Å |
| 862 | C | 25.5 | Very low | 26.2 | Very low | 122 Ų | 122 | 155.4 Ų | 155.4 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 133.6 | -168.2 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | Q860 | Q860-C862 PolarHBondContact O-N 3.43Š|
| 863 | K | 26.1 | Very low | 26.1 | Very low | 186 Ų | 186 | 156.2 Ų | 156.2 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 135 | 167.2 | -64 | 177 | -179.9 | 178.1 | 0 | 108.8 | L861 | L861-K863 PolarHBondContact O-N 3.49Š|
| 864 | L | 26.8 | Very low | 26.2 | Very low | 154 Ų | 154 | 161.4 Ų | 161.4 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 137.1 | 161.4 | -73.7 | 154.2 | 0 | 0 | 0 | 108 | ||
| 865 | N | 27.9 | Very low | 26.2 | Very low | 143 Ų | 143 | 166 Ų | 166 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | -88.7 | 105.3 | 171.2 | -74.1 | -4.3 | 0 | 0 | 0 | 108.3 | D867 | N865-D867 PolarHBondContact O-N 3.38Š| ||
| 866 | D | 27.4 | Very low | 26.3 | Very low | 120 Ų | 120 | 165.8 Ų | 165.8 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | trans | -76.8 | 43.4 | -176.8 | -69.5 | -44.7 | 0 | 0 | 0 | 113.8 | K869 | D866-K869 PolarHBondContact O-NZ 3.45Š| ||
| 867 | D | 28.8 | Very low | 26.5 | Very low | 144 Ų | 144 | 163.8 Ų | 163.8 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -105.5 | 34.6 | -175.1 | -73.2 | -40.6 | 0 | 0 | 0 | 113.9 | N865 | N865-D867 PolarHBondContact O-N 3.38Š| ||
| 868 | E | 25.8 | Very low | 26.7 | Very low | 177 Ų | 177 | 160.3 Ų | 160.3 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -132.5 | 62.2 | 158.8 | -149.5 | 170.1 | -124.1 | 0 | 0 | 111.1 | I870 | E868-I870 VanDerWaalsContact C-N 3.31Å; E868-I870 PolarHBondContact O-N 2.92Å | ||
| 869 | K | 28.2 | Very low | 26.8 | Very low | 149 Ų | 149 | 162 Ų | 162 | 65% | 0.648 | 79% | 0.793 | S | S | * | * | trans | -70.7 | 82 | 178.7 | -73.3 | -175.9 | -179.3 | 73.7 | 0 | 111.8 | D866 N871 | D866-K869 PolarHBondContact O-NZ 3.45Å; K869-N871 PolarHBondContact O-N 2.91Å; K869-N871 PolarHBondContact O-ND2 3.24Å | ||
| 870 | I | 25.6 | Very low | 26.8 | Very low | 142 Ų | 142 | 156.6 Ų | 156.6 | 73% | 0.728 | 78% | 0.781 | S | S | * | * | trans | -53 | 110.8 | 163.3 | -64.8 | 177.2 | 0 | 0 | 0 | 108.2 | E868 R872 | E868-I870 VanDerWaalsContact C-N 3.31Å; E868-I870 PolarHBondContact O-N 2.92Å; I870-R872 PolarHBondContact O-N 2.94Å | ||
| 871 | N | 24.5 | Very low | 27.2 | Very low | 130 Ų | 130 | 154.4 Ų | 154.4 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -75.9 | 55.9 | -165.9 | -99.5 | -71.9 | 0 | 0 | 0 | 113.8 | K869 K873 | K869-N871 PolarHBondContact O-N 2.91Å; K869-N871 PolarHBondContact O-ND2 3.24Å; N871-K873 VanDerWaalsContact C-N 3.25Å; N871-K873 PolarHBondContact O-N 2.78Å | ||
| 872 | R | 25.7 | Very low | 27.5 | Very low | 230 Ų | 230 | 148.1 Ų | 148.1 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | trans | -68.8 | 85.8 | 164.4 | -80.2 | -173.2 | 171.8 | 175.9 | -0.3 | 109.3 | I870 R874 | I870-R872 PolarHBondContact O-N 2.94Å; R872-R874 PolarHBondContact O-N 3.11Å | ||
| 873 | K | 25.4 | Very low | 27.8 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | -64.2 | 60.7 | 174.4 | -68.5 | 177.2 | 178.4 | 171.1 | 0 | 112.7 | N871 K875 | N871-K873 VanDerWaalsContact C-N 3.25Å; N871-K873 PolarHBondContact O-N 2.78Å; K873-K875 PolarHBondContact O-N 3.13Å | ||
| 874 | R | 24.7 | Very low | 28.2 | Very low | 230 Ų | 230 | 143.4 Ų | 143.4 | 87% | 0.868 | 74% | 0.735 | S | S | * | * | trans | -66.6 | 116.7 | 152.6 | -93.2 | -172.5 | 172.1 | 171.7 | -1.5 | 106.5 | R872 V876 | R872-R874 PolarHBondContact O-N 3.11Å; R874-V876 PolarHBondContact O-N 3.45Å | ||
| 875 | K | 25.9 | Very low | 28.8 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | trans | -73.8 | 72.8 | -176.3 | -171.1 | -178.2 | 180 | -177.1 | 0 | 109.8 | K873 T877 | K873-K875 PolarHBondContact O-N 3.13Å; K875-T877 PolarHBondContact O-N 3.22Å | ||
| 876 | V | 26.8 | Very low | 29.3 | Very low | 123 Ų | 123 | 142 Ų | 142 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | trans | -64.1 | 105.6 | 171.5 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | R874 S878 | R874-V876 PolarHBondContact O-N 3.45Å; V876-S878 PolarHBondContact O-N 2.92Å | ||
| 877 | T | 29.5 | Very low | 29.9 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 69% | 0.693 | 70% | 0.703 | S | S | * | * | trans | -61.9 | 124.8 | 165.9 | 37.6 | 0 | 0 | 0 | 0 | 108.3 | K875 E879 | K875-T877 PolarHBondContact O-N 3.22Å; T877-E879 PolarHBondContact O-N 3.1Å; T877-E879 VanDerWaalsContact O-N 3.1Å | ||
| 878 | S | 29.4 | Very low | 30.7 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 68% | 0.684 | S | S | * | * | trans | -61.5 | 110.4 | -175.2 | 52.6 | 0 | 0 | 0 | 0 | 111.7 | V876 | V876-S878 PolarHBondContact O-N 2.92Š| ||
| 879 | E | 27.4 | Very low | 31.7 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 87% | 0.869 | 66% | 0.663 | S | S | * | * | trans | -64.8 | 132.3 | 170 | -63.2 | -177.9 | 145.1 | 0 | 0 | 109.9 | T877 | T877-E879 PolarHBondContact O-N 3.1Å; T877-E879 VanDerWaalsContact O-N 3.1Å | ||
| 880 | S | 27.5 | Very low | 32.4 | Very low | 90 Ų | 90 | 125.1 Ų | 125.1 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | trans | -82 | 148.6 | 171.5 | 83.2 | 0 | 0 | 0 | 0 | 110.2 | G882 G883 | S880-G882 PolarHBondContact O-N 3.22Å; S880-G883 PolarHBondContact O-N 3.42Å; S880-G883 VanDerWaalsContact O-N 3.11Å | ||
| 881 | P | 35.5 | Very low | 33.3 | Very low | 130 Ų | 130 | 118.6 Ų | 118.6 | 84% | 0.844 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -8.5 | -177.2 | 24.9 | -34.3 | 0 | 0 | 0 | 114.7 | G883 | P881-G883 PolarHBondContact O-N 3.43Š|
| 882 | G | 32.9 | Very low | 34.3 | Very low | 41 Ų | 41 | 114.1 Ų | 114.1 | 42% | 0.423 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63 | -26.4 | 171 | 0 | 0 | 0 | 0 | 0 | 113.8 | S880 K884 K885 M886 | S880-G882 PolarHBondContact O-N 3.22Å; G882-K884 VanDerWaalsContact C-N 3.35Å; G882-K884 PolarHBondContact O-N 2.95Å; G882-K885 PolarHBondContact O-N 3.4Å; G882-M886 PolarHBondContact O-N 3.41Å |
| 883 | G | 31.9 | Very low | 35.4 | Very low | 37 Ų | 37 | 106.6 Ų | 106.6 | 38% | 0.381 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -57.5 | -39.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S880 P881 M886 V887 | S880-G883 PolarHBondContact O-N 3.42Å; S880-G883 VanDerWaalsContact O-N 3.11Å; P881-G883 PolarHBondContact O-N 3.43Å; G883-M886 PolarHBondContact O-N 2.79Å; G883-V887 WeakPolarHBondContact O-CG2 3.31Å; G883-V887 PolarHBondContact O-N 2.87Å |
| 884 | K | 35 | Very low | 36.4 | Very low | 172 Ų | 172 | 101.7 Ų | 101.7 | 75% | 0.748 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.1 | -41 | -179.4 | -76.1 | -167.9 | 174.4 | -170.8 | 0 | 113.3 | G882 M886 V887 L888 | G882-K884 VanDerWaalsContact C-N 3.35Å; G882-K884 PolarHBondContact O-N 2.95Å; K884-M886 VanDerWaalsContact C-N 3.35Å; K884-V887 PolarHBondContact O-N 2.87Å; K884-L888 PolarHBondContact O-N 3.39Å |
| 885 | K | 38.4 | Very low | 37.5 | Very low | 142 Ų | 142 | 92 Ų | 92 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68 | -42.1 | 175 | -159.9 | -163.8 | 170.5 | -166.2 | 0 | 109.9 | G882 V887 L888 D889 | G882-K885 PolarHBondContact O-N 3.4Å; K885-V887 PolarHBondContact O-N 3.3Å; K885-L888 PolarHBondContact O-N 3.02Å; K885-D889 WeakPolarHBondContact CE-OD2 3.3Å; K885-D889 IonicContact NZ-OD2 2.69Å; K885-D889 WeakPolarHBondContact O-CB 3.48Å; K885-D889 VanDerWaalsContact O-CG 3.28Å; K885-D889 PolarHBondContact O-N 3.28Å |
| 886 | M | 39.3 | Very low | 38.3 | Very low | 125 Ų | 125 | 85.8 Ų | 85.8 | 62% | 0.616 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.1 | -32.7 | 176.2 | -149.3 | -179.5 | 104.5 | 0 | 0 | 112.8 | G882 G883 K884 C890 | G882-M886 PolarHBondContact O-N 3.41Å; G883-M886 PolarHBondContact O-N 2.79Å; K884-M886 VanDerWaalsContact C-N 3.35Å; M886-C890 WeakPolarHBondContact O-CB 3.43Å; M886-C890 PolarHBondContact O-N 3.13Å; M886-C890 PolarHBondContact O-SG 2.86Å |
| 887 | V | 40.1 | Very low | 38.6 | Very low | 52 Ų | 52 | 86 Ų | 86 | 32% | 0.315 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.3 | -39.3 | 173.5 | 169.1 | 0 | 0 | 0 | 0 | 112.4 | G883 K884 K885 L891 N969 | G883-V887 WeakPolarHBondContact O-CG2 3.31Å; G883-V887 PolarHBondContact O-N 2.87Å; K884-V887 PolarHBondContact O-N 2.87Å; K885-V887 PolarHBondContact O-N 3.3Å; V887-L891 HydrophobicContact CG1-CD1 4.27Å; V887-L891 WeakPolarHBondContact O-CB 3.46Å; V887-L891 PolarHBondContact O-N 2.91Å; V887-N969 HydrophobicContact CG1-CB 4.4Å |
| 888 | L | 44.3 | Very low | 38.8 | Very low | 69 Ų | 69 | 85.1 Ų | 85.1 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.2 | -46.2 | 175.4 | -153.4 | 88 | 0 | 0 | 0 | 110.7 | K884 K885 C890 L891 S892 L973 | K884-L888 PolarHBondContact O-N 3.39Å; K885-L888 PolarHBondContact O-N 3.02Å; L888-C890 VanDerWaalsContact C-N 3.34Å; L888-C890 PolarHBondContact O-N 3.47Å; L888-L891 PolarHBondContact O-N 2.91Å; L888-S892 PolarHBondContact O-N 2.88Å; L888-S892 PolarHBondContact O-OG 2.72Å; L888-L973 HydrophobicContact CD1-CD1 4.05Å |
| 889 | D | 47.5 | Very low | 39 | Very low | 71 Ų | 71 | 87 Ų | 87 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 175.1 | -64.1 | -28.1 | 0 | 0 | 0 | 110.2 | K885 S892 T893 | K885-D889 WeakPolarHBondContact CE-OD2 3.3Å; K885-D889 IonicContact NZ-OD2 2.69Å; K885-D889 WeakPolarHBondContact O-CB 3.48Å; K885-D889 VanDerWaalsContact O-CG 3.28Å; K885-D889 PolarHBondContact O-N 3.28Å; D889-S892 PolarHBondContact O-N 3.37Å; D889-T893 WeakPolarHBondContact O-CG2 3.5Å; D889-T893 PolarHBondContact O-N 3.21Å; D889-T893 PolarHBondContact O-OG1 2.88Å |
| 890 | C | 44.1 | Very low | 39 | Very low | 44 Ų | 44 | 83.8 Ų | 83.8 | 30% | 0.297 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 174.9 | -78.3 | 0 | 0 | 0 | 0 | 113.7 | M886 L888 T893 D894 | M886-C890 WeakPolarHBondContact O-CB 3.43Å; M886-C890 PolarHBondContact O-N 3.13Å; M886-C890 PolarHBondContact O-SG 2.86Å; L888-C890 VanDerWaalsContact C-N 3.34Å; L888-C890 PolarHBondContact O-N 3.47Å; C890-T893 WeakPolarHBondContact CA-OG1 3.41Å; C890-T893 PolarHBondContact O-N 3.25Å; C890-T893 PolarHBondContact O-OG1 3.27Å; C890-T893 VanDerWaalsContact O-OG1 3.13Å; C890-D894 WeakPolarHBondContact O-CB 3.42Å; C890-D894 PolarHBondContact O-N 3.27Å |
| 891 | L | 43.8 | Very low | 39.2 | Very low | 4 Ų | 4 | 83.9 Ų | 83.9 | 2% | 0.021 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 173.3 | -88.8 | 161.6 | 0 | 0 | 0 | 110.5 | V887 L888 V895 N966 C970 | V887-L891 HydrophobicContact CG1-CD1 4.27Å; V887-L891 WeakPolarHBondContact O-CB 3.46Å; V887-L891 PolarHBondContact O-N 2.91Å; L888-L891 PolarHBondContact O-N 2.91Å; L891-V895 VanDerWaalsContact O-CB 3.26Å; L891-V895 WeakPolarHBondContact O-CB 3.39Å; L891-V895 WeakPolarHBondContact O-CG2 3.48Å; L891-V895 PolarHBondContact O-N 2.88Å; L891-N966 HydrophobicContact CD2-CB 3.6Å; L891-N966 HydrophobicContact CG-CB 3.99Å; L891-C970 VanDerWaalsContact CD1-SG 3.55Å |
| 892 | S | 46.2 | Very low | 38.8 | Very low | 36 Ų | 36 | 85.3 Ų | 85.3 | 25% | 0.252 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 174.1 | -62.6 | 0 | 0 | 0 | 0 | 112 | L888 D889 S896 N924 | L888-S892 PolarHBondContact O-N 2.88Å; L888-S892 PolarHBondContact O-OG 2.72Å; D889-S892 PolarHBondContact O-N 3.37Å; S892-S896 WeakPolarHBondContact O-CB 3.33Å; S892-S896 PolarHBondContact O-N 2.96Å; S892-S896 PolarHBondContact O-OG 3.1Å; S892-N924 PolarHBondContact OG-OD1 3.22Å |
| 893 | T | 47.4 | Very low | 38.6 | Very low | 73 Ų | 73 | 91.4 Ų | 91.4 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.5 | -45.2 | 178.9 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | D889 C890 V895 S896 L897 | D889-T893 WeakPolarHBondContact O-CG2 3.5Å; D889-T893 PolarHBondContact O-N 3.21Å; D889-T893 PolarHBondContact O-OG1 2.88Å; C890-T893 WeakPolarHBondContact CA-OG1 3.41Å; C890-T893 PolarHBondContact O-N 3.25Å; C890-T893 PolarHBondContact O-OG1 3.27Å; C890-T893 VanDerWaalsContact O-OG1 3.13Å; T893-V895 VanDerWaalsContact C-N 3.29Å; T893-V895 PolarHBondContact O-N 2.97Å; T893-S896 WeakPolarHBondContact CA-OG 3.31Å; T893-S896 CarbonylContact O-C 3.48Å; T893-S896 WeakPolarHBondContact O-CA 3.47Å; T893-S896 PolarHBondContact O-N 3.35Å; T893-S896 PolarHBondContact O-OG 3.28Å; T893-L897 PolarHBondContact O-N 3.37Å |
| 894 | D | 46.5 | Very low | 38.3 | Very low | 84 Ų | 84 | 97.8 Ų | 97.8 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.4 | -30.5 | -178.7 | -72.3 | 0.2 | 0 | 0 | 0 | 111.8 | C890 L897 N966 | C890-D894 WeakPolarHBondContact O-CB 3.42Å; C890-D894 PolarHBondContact O-N 3.27Å; D894-L897 WeakPolarHBondContact O-CB 3.41Å; D894-N966 PolarHBondContact OD2-ND2 3.47Å |
| 895 | V | 47.5 | Very low | 38 | Very low | 27 Ų | 27 | 97.9 Ų | 97.9 | 16% | 0.164 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -81.8 | -19.3 | 172.2 | 176.8 | 0 | 0 | 0 | 0 | 112.4 | L891 T893 Q920 I923 | L891-V895 VanDerWaalsContact O-CB 3.26Å; L891-V895 WeakPolarHBondContact O-CB 3.39Å; L891-V895 WeakPolarHBondContact O-CG2 3.48Å; L891-V895 PolarHBondContact O-N 2.88Å; T893-V895 VanDerWaalsContact C-N 3.29Å; T893-V895 PolarHBondContact O-N 2.97Å; V895-Q920 PolarHBondContact O-NE2 3.5Å; V895-I923 HydrophobicContact CG1-CD1 3.73Å; V895-I923 HydrophobicContact CG1-CG2 4.33Å |
| 896 | S | 42.6 | Very low | 37.6 | Very low | 67 Ų | 67 | 95.9 Ų | 95.9 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -85.6 | -8.6 | 169.9 | 78.1 | 0 | 0 | 0 | 0 | 114 | S892 T893 P898 | S892-S896 WeakPolarHBondContact O-CB 3.33Å; S892-S896 PolarHBondContact O-N 2.96Å; S892-S896 PolarHBondContact O-OG 3.1Å; T893-S896 WeakPolarHBondContact CA-OG 3.31Å; T893-S896 CarbonylContact O-C 3.48Å; T893-S896 WeakPolarHBondContact O-CA 3.47Å; T893-S896 PolarHBondContact O-N 3.35Å; T893-S896 PolarHBondContact O-OG 3.28Å; S896-P898 WeakPolarHBondContact O-CD 3.26Å; S896-P898 VanDerWaalsContact O-N 3.12Å |
| 897 | L | 33.8 | Very low | 37.1 | Very low | 128 Ų | 128 | 94.3 Ų | 94.3 | 67% | 0.67 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -62.3 | 115.6 | 179.2 | -145.5 | 80.8 | 0 | 0 | 0 | 108.3 | T893 D894 | T893-L897 PolarHBondContact O-N 3.37Å; D894-L897 WeakPolarHBondContact O-CB 3.41Å |
| 898 | P | 34.5 | Very low | 36.7 | Very low | 93 Ų | 93 | 99.3 Ų | 99.3 | 60% | 0.604 | 55% | 0.552 | S | S | * | * | trans | -66.9 | 157.6 | -167.1 | 25.7 | -34.7 | 0 | 0 | 0 | 111.8 | S896 T900 | S896-P898 WeakPolarHBondContact O-CD 3.26Å; S896-P898 VanDerWaalsContact O-N 3.12Å; P898-T900 PolarHBondContact O-N 3.06Å; P898-T900 PolarHBondContact O-OG1 3.19Å | ||
| 899 | K | 32.7 | Very low | 36.3 | Very low | 156 Ų | 156 | 100.9 Ų | 100.9 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | trans | -69.4 | 33.6 | -174.3 | -61.6 | 161.3 | -172.9 | 147.8 | 0 | 114.5 | D916 | K899-D916 IonicContact NZ-OD1 3.57Å; K899-D916 PolarHBondContact NZ-OD1 3.39Å | ||
| 900 | T | 28.2 | Very low | 35.7 | Very low | 118 Ų | 118 | 106.2 Ų | 106.2 | 72% | 0.724 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 130.6 | 163.7 | 47.2 | 0 | 0 | 0 | 0 | 109.5 | P898 | P898-T900 PolarHBondContact O-N 3.06Å; P898-T900 PolarHBondContact O-OG1 3.19Å |
| 901 | A | 31.5 | Very low | 35.7 | Very low | 92 Ų | 92 | 108.1 Ų | 108.1 | 76% | 0.76 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -146.6 | 58.6 | 14.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 902 | N | 26.8 | Very low | 36.3 | Very low | 161 Ų | 161 | 114 Ų | 114 | 86% | 0.861 | 63% | 0.628 | S | S | * | * | trans | -112.4 | -3.6 | 179.8 | -89.2 | -1.6 | 0 | 0 | 0 | 115.8 | M904 | N902-M904 PolarHBondContact O-N 2.93Š| ||
| 903 | H | 28.1 | Very low | 37.1 | Very low | 169 Ų | 169 | 119 Ų | 119 | 78% | 0.782 | 65% | 0.647 | S | S | * | * | trans | -82.3 | 100.7 | 165.4 | -99.1 | -81.3 | 0 | 0 | 0 | 109.8 | ||||
| 904 | M | 26.4 | Very low | 38.2 | Very low | 171 Ų | 171 | 120.1 Ų | 120.1 | 84% | 0.842 | 65% | 0.647 | S | S | * | * | trans | -65.6 | 150.1 | 157.2 | -68.4 | -164.4 | 74.3 | 0 | 0 | 109.4 | N902 T906 | N902-M904 PolarHBondContact O-N 2.93Å; M904-T906 PolarHBondContact O-N 3.21Å | ||
| 905 | I | 28.5 | Very low | 39.6 | Very low | 173 Ų | 173 | 119.8 Ų | 119.8 | 89% | 0.887 | 64% | 0.64 | S | S | * | * | trans | -59.3 | 115.4 | -166.9 | -59.3 | 162.2 | 0 | 0 | 0 | 111.4 | ||||
| 906 | T | 28.9 | Very low | 40.7 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 61% | 0.613 | 65% | 0.647 | S | S | * | * | trans | -138.9 | 132.1 | 165.4 | 54.2 | 0 | 0 | 0 | 0 | 109.2 | M904 | M904-T906 PolarHBondContact O-N 3.21Š| ||
| 907 | D | 28.8 | Very low | 42.3 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 50% | 0.497 | 65% | 0.65 | S | S | . | * | trans | -43.8 | 120.5 | -158.6 | -64.1 | -74.3 | 0 | 0 | 0 | 120.2 | T909 | D907-T909 VanDerWaalsContact C-N 3.29Å; D907-T909 PolarHBondContact O-N 2.7Å | ||
| 908 | N | 32.1 | Very low | 44.4 | Very low | 156 Ų | 156 | 117.4 Ų | 117.4 | 83% | 0.834 | 62% | 0.618 | S | S | * | * | 53.4 | 4.4 | 126.9 | -70.8 | -32.8 | 0 | 0 | 0 | 122.3 | K910 | N908-K910 PolarHBondContact O-N 2.72Š| |||
| 909 | T | 36.1 | Very low | 46.4 | Very low | 103 Ų | 103 | 114.1 Ų | 114.1 | 63% | 0.632 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 116.9 | 156 | 48.2 | 0 | 0 | 0 | 0 | 108.6 | F599 D907 | F599-T909 HydrophobicContact CE1-CG2 3.85Å; F599-T909 HydrophobicContact CZ-CG2 4.03Å; D907-T909 VanDerWaalsContact C-N 3.29Å; D907-T909 PolarHBondContact O-N 2.7Å |
| 910 | K | 35.5 | Very low | 48.5 | Very low | 183 Ų | 183 | 109.1 Ų | 109.1 | 80% | 0.796 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 137.2 | 171.3 | -68.4 | 179 | 179.9 | 176.3 | 0 | 108.7 | N908 D912 | N908-K910 PolarHBondContact O-N 2.72Å; K910-D912 PolarHBondContact O-N 2.91Å |
| 911 | P | 44.4 | Very low | 50.8 | Low | 83 Ų | 83 | 106.5 Ų | 106.5 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 134.7 | 171.9 | 27.4 | -33.6 | 0 | 0 | 0 | 109.3 | H913 | P911-H913 VanDerWaalsContact C-N 3.31Å; P911-H913 PolarHBondContact O-N 2.97Å |
| 912 | D | 55.8 | Low | 53.1 | Low | 127 Ų | 127 | 102.1 Ų | 102.1 | 68% | 0.679 | 52% | 0.516 | S | S | * | . | trans | -68.1 | 89.4 | 176.3 | -78.7 | -46.2 | 0 | 0 | 0 | 109.9 | K910 Q914 Y915 D916 | K910-D912 PolarHBondContact O-N 2.91Å; D912-Q914 PolarHBondContact O-N 3.06Å; D912-Q914 VanDerWaalsContact O-N 3.08Å; D912-Y915 WeakPolarHBondContact O-CA 3.4Å; D912-Y915 WeakPolarHBondContact O-CB 3.46Å; D912-Y915 PolarHBondContact O-N 3.39Å; D912-D916 PolarHBondContact O-N 2.88Å | ||
| 913 | H | 64.2 | Low | 55.5 | Low | 141 Ų | 141 | 94.5 Ų | 94.5 | 65% | 0.653 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -54.1 | -30.5 | 178.2 | -67.3 | -60.3 | 0 | 0 | 0 | 112.4 | P911 E917 | P911-H913 VanDerWaalsContact C-N 3.31Å; P911-H913 PolarHBondContact O-N 2.97Å; H913-E917 VanDerWaalsContact O-CB 3.32Å; H913-E917 WeakPolarHBondContact O-CB 3.26Å; H913-E917 PolarHBondContact O-N 2.83Å |
| 914 | Q | 70.5 | Confident | 57.7 | Low | 98 Ų | 98 | 90 Ų | 90 | 46% | 0.458 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.7 | -34.4 | 173.9 | -172.5 | 172.8 | 4.7 | 0 | 0 | 112.8 | D912 I918 | D912-Q914 PolarHBondContact O-N 3.06Å; D912-Q914 VanDerWaalsContact O-N 3.08Å; Q914-I918 HydrophobicContact CG-CD1 3.85Å; Q914-I918 HydrophobicContact CG-CG1 4.5Å; Q914-I918 WeakPolarHBondContact O-CB 3.42Å; Q914-I918 VanDerWaalsContact O-CG1 3.23Å; Q914-I918 WeakPolarHBondContact O-CG1 3.44Å; Q914-I918 PolarHBondContact O-N 3.34Å |
| 915 | Y | 74 | Confident | 60.1 | Low | 77 Ų | 77 | 83 Ų | 83 | 30% | 0.302 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.3 | -52.2 | 174.8 | -176 | -76.3 | 0 | 0 | 0 | 110.7 | D912 E917 I918 Q919 I953 S956 | D912-Y915 WeakPolarHBondContact O-CA 3.4Å; D912-Y915 WeakPolarHBondContact O-CB 3.46Å; D912-Y915 PolarHBondContact O-N 3.39Å; Y915-E917 VanDerWaalsContact C-N 3.31Å; Y915-E917 PolarHBondContact O-N 3.04Å; Y915-I918 PolarHBondContact O-N 2.84Å; Y915-Q919 WeakPolarHBondContact O-CB 3.28Å; Y915-Q919 PolarHBondContact O-N 3.01Å; Y915-I953 HydrophobicContact CD2-CD1 4.14Å; Y915-I953 HydrophobicContact CD2-CG1 3.94Å; Y915-I953 HydrophobicContact CE2-CD1 4.11Å; Y915-I953 HydrophobicContact CE2-CG1 3.42Å; Y915-I953 VanDerWaalsContact CE2-CG1 3.42Å; Y915-S956 PolarHBondContact OH-OG 3.21Å |
| 916 | D | 72.6 | Confident | 62.4 | Low | 59 Ų | 59 | 74.7 Ų | 74.7 | 32% | 0.316 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 179.8 | -78.1 | -37.1 | 0 | 0 | 0 | 110.8 | K899 D912 Q919 Q920 | K899-D916 IonicContact NZ-OD1 3.57Å; K899-D916 PolarHBondContact NZ-OD1 3.39Å; D912-D916 PolarHBondContact O-N 2.88Å; D916-Q919 PolarHBondContact O-N 3.15Å; D916-Q920 VanDerWaalsContact O-CG 3.3Å; D916-Q920 WeakPolarHBondContact O-CG 3.39Å; D916-Q920 PolarHBondContact O-N 3.19Å |
| 917 | E | 75.9 | Confident | 64.5 | Low | 110 Ų | 110 | 70.6 Ų | 70.6 | 51% | 0.514 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.6 | -49.3 | 175.5 | -169.7 | -172.3 | 144.1 | 0 | 0 | 112.4 | H913 Y915 Q919 Q920 K921 | H913-E917 VanDerWaalsContact O-CB 3.32Å; H913-E917 WeakPolarHBondContact O-CB 3.26Å; H913-E917 PolarHBondContact O-N 2.83Å; Y915-E917 VanDerWaalsContact C-N 3.31Å; Y915-E917 PolarHBondContact O-N 3.04Å; E917-Q919 VanDerWaalsContact C-N 3.32Å; E917-Q919 PolarHBondContact O-N 3.2Å; E917-Q920 PolarHBondContact O-N 3.14Å; E917-K921 WeakPolarHBondContact O-CG 3.17Å; E917-K921 PolarHBondContact O-N 3.48Å; E917-K921 WeakPolarHBondContact OE1-CE 3.28Å; E917-K921 IonicContact OE1-NZ 2.67Å; E917-K921 PolarHBondContact OE1-NZ 3.21Å |
| 918 | I | 76.8 | Confident | 66.5 | Low | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.015 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 178.1 | -63.8 | 169.4 | 0 | 0 | 0 | 110.1 | Q914 Y915 Q920 K921 C922 E943 L944 T947 I953 | Q914-I918 HydrophobicContact CG-CD1 3.85Å; Q914-I918 HydrophobicContact CG-CG1 4.5Å; Q914-I918 WeakPolarHBondContact O-CB 3.42Å; Q914-I918 VanDerWaalsContact O-CG1 3.23Å; Q914-I918 WeakPolarHBondContact O-CG1 3.44Å; Q914-I918 PolarHBondContact O-N 3.34Å; Y915-I918 PolarHBondContact O-N 2.84Å; I918-Q920 PolarHBondContact O-N 3.15Å; I918-K921 PolarHBondContact O-N 3.08Å; I918-C922 WeakPolarHBondContact O-CB 3.49Å; I918-C922 PolarHBondContact O-N 2.76Å; I918-C922 PolarHBondContact O-SG 2.87Å; I918-E943 HydrophobicContact CD1-CB 4.38Å; I918-E943 HydrophobicContact CG1-CB 4.41Å; I918-L944 HydrophobicContact CG2-CD2 3.73Å; I918-L944 HydrophobicContact CG2-CG 4.16Å; I918-T947 HydrophobicContact CD1-CG2 3.57Å; I918-I953 HydrophobicContact CG2-CD1 4.5Å; I918-I953 HydrophobicContact CG2-CG2 4.1Å |
| 919 | Q | 77.1 | Confident | 67.8 | Low | 23 Ų | 23 | 63.9 Ų | 63.9 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 173.6 | -164.1 | -171.4 | -6.2 | 0 | 0 | 111.2 | Y915 D916 E917 K921 C922 I923 I953 S956 S957 | Y915-Q919 WeakPolarHBondContact O-CB 3.28Å; Y915-Q919 PolarHBondContact O-N 3.01Å; D916-Q919 PolarHBondContact O-N 3.15Å; E917-Q919 VanDerWaalsContact C-N 3.32Å; E917-Q919 PolarHBondContact O-N 3.2Å; Q919-K921 PolarHBondContact O-N 3.02Å; Q919-C922 WeakPolarHBondContact O-CB 3.29Å; Q919-C922 PolarHBondContact O-N 2.78Å; Q919-I923 HydrophobicContact CG-CD1 4.14Å; Q919-I923 VanDerWaalsContact O-CG1 3.27Å; Q919-I923 WeakPolarHBondContact O-CG1 3.34Å; Q919-I923 PolarHBondContact O-N 3.3Å; Q919-I953 HydrophobicContact CB-CG2 4.27Å; Q919-S956 VanDerWaalsContact NE2-C 3.34Å; Q919-S956 PolarHBondContact NE2-O 3.16Å; Q919-S956 VanDerWaalsContact NE2-O 3.14Å; Q919-S956 PolarHBondContact NE2-OG 2.78Å; Q919-S957 WeakPolarHBondContact CG-OG 3.49Å; Q919-S957 PolarHBondContact O-OG 3.16Å |
| 920 | Q | 75.9 | Confident | 68.8 | Low | 51 Ų | 51 | 64.9 Ų | 64.9 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -37.1 | 176.6 | -67.7 | -68.1 | -5.6 | 0 | 0 | 112.5 | V895 D916 E917 I918 I923 N924 | V895-Q920 PolarHBondContact O-NE2 3.5Å; D916-Q920 VanDerWaalsContact O-CG 3.3Å; D916-Q920 WeakPolarHBondContact O-CG 3.39Å; D916-Q920 PolarHBondContact O-N 3.19Å; E917-Q920 PolarHBondContact O-N 3.14Å; I918-Q920 PolarHBondContact O-N 3.15Å; Q920-I923 PolarHBondContact O-N 3.33Å; Q920-N924 WeakPolarHBondContact O-CB 3.35Å; Q920-N924 VanDerWaalsContact O-CG 3.27Å; Q920-N924 PolarHBondContact O-N 2.74Å; Q920-N924 PolarHBondContact O-ND2 2.78Å; Q920-N924 VanDerWaalsContact O-ND2 3.08Å |
| 921 | K | 77.6 | Confident | 69.5 | Low | 63 Ų | 63 | 63.7 Ų | 63.7 | 27% | 0.274 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 173.4 | -70.1 | 172.3 | -176.1 | 169.3 | 0 | 112.1 | E917 I918 Q919 N924 F925 L940 E943 | E917-K921 WeakPolarHBondContact O-CG 3.17Å; E917-K921 PolarHBondContact O-N 3.48Å; E917-K921 WeakPolarHBondContact OE1-CE 3.28Å; E917-K921 IonicContact OE1-NZ 2.67Å; E917-K921 PolarHBondContact OE1-NZ 3.21Å; I918-K921 PolarHBondContact O-N 3.08Å; Q919-K921 PolarHBondContact O-N 3.02Å; K921-N924 PolarHBondContact O-N 2.93Å; K921-F925 WeakPolarHBondContact O-CB 3.24Å; K921-F925 PolarHBondContact O-N 3.1Å; K921-L940 HydrophobicContact CB-CD1 3.75Å; K921-E943 WeakPolarHBondContact CD-OE2 3.47Å; K921-E943 WeakPolarHBondContact CE-OE2 3.38Å; K921-E943 IonicContact NZ-OE1 2.68Å; K921-E943 PolarHBondContact NZ-OE1 2.84Å; K921-E943 IonicContact NZ-OE2 3.93Å; K921-E943 PolarHBondContact NZ-OE2 3.33Å |
| 922 | C | 78.8 | Confident | 69.6 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 172.7 | -75 | 0 | 0 | 0 | 0 | 112.2 | I918 Q919 F925 L926 S957 | I918-C922 WeakPolarHBondContact O-CB 3.49Å; I918-C922 PolarHBondContact O-N 2.76Å; I918-C922 PolarHBondContact O-SG 2.87Å; Q919-C922 WeakPolarHBondContact O-CB 3.29Å; Q919-C922 PolarHBondContact O-N 2.78Å; C922-F925 PolarHBondContact O-N 3.12Å; C922-L926 WeakPolarHBondContact O-CB 3.49Å; C922-L926 VanDerWaalsContact O-CG 3.3Å; C922-L926 WeakPolarHBondContact O-CG 3.47Å; C922-L926 PolarHBondContact O-N 3.17Å; C922-S957 VanDerWaalsContact CB-OG 3.22Å; C922-S957 WeakPolarHBondContact CB-OG 3.29Å |
| 923 | I | 77 | Confident | 69.1 | Low | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 176.5 | -69.1 | 166.5 | 0 | 0 | 0 | 111 | V895 Q919 Q920 F925 L926 L927 A960 I961 | V895-I923 HydrophobicContact CG1-CD1 3.73Å; V895-I923 HydrophobicContact CG1-CG2 4.33Å; Q919-I923 HydrophobicContact CG-CD1 4.14Å; Q919-I923 VanDerWaalsContact O-CG1 3.27Å; Q919-I923 WeakPolarHBondContact O-CG1 3.34Å; Q919-I923 PolarHBondContact O-N 3.3Å; Q920-I923 PolarHBondContact O-N 3.33Å; I923-F925 VanDerWaalsContact C-N 3.33Å; I923-F925 PolarHBondContact O-N 3.15Å; I923-L926 PolarHBondContact O-N 3.39Å; I923-L927 HydrophobicContact CG2-CD1 3.9Å; I923-L927 WeakPolarHBondContact O-CB 3.44Å; I923-L927 WeakPolarHBondContact O-CG 3.27Å; I923-L927 PolarHBondContact O-N 2.86Å; I923-A960 HydrophobicContact CD1-CB 3.8Å; I923-I961 HydrophobicContact CG1-CD1 4.43Å; I923-I961 HydrophobicContact CG1-CG1 4.3Å; I923-I961 HydrophobicContact CG2-CD1 4.29Å; I923-I961 HydrophobicContact CG2-CG1 3.96Å |
| 924 | N | 75.7 | Confident | 68.3 | Low | 73 Ų | 73 | 63.3 Ų | 63.3 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 177.1 | -71 | -35.7 | 0 | 0 | 0 | 112.3 | S892 Q920 K921 S928 | S892-N924 PolarHBondContact OG-OD1 3.22Å; Q920-N924 WeakPolarHBondContact O-CB 3.35Å; Q920-N924 VanDerWaalsContact O-CG 3.27Å; Q920-N924 PolarHBondContact O-N 2.74Å; Q920-N924 PolarHBondContact O-ND2 2.78Å; Q920-N924 VanDerWaalsContact O-ND2 3.08Å; K921-N924 PolarHBondContact O-N 2.93Å; N924-S928 VanDerWaalsContact O-CB 3.32Å; N924-S928 WeakPolarHBondContact O-CB 3.13Å; N924-S928 PolarHBondContact O-N 2.8Å |
| 925 | F | 76.9 | Confident | 67.1 | Low | 24 Ų | 24 | 62.7 Ų | 62.7 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -50.1 | 173 | -178.7 | -99.1 | 0 | 0 | 0 | 111.4 | K921 C922 I923 L927 S928 I933 P937 L940 K980 L984 | K921-F925 WeakPolarHBondContact O-CB 3.24Å; K921-F925 PolarHBondContact O-N 3.1Å; C922-F925 PolarHBondContact O-N 3.12Å; I923-F925 VanDerWaalsContact C-N 3.33Å; I923-F925 PolarHBondContact O-N 3.15Å; F925-L927 VanDerWaalsContact C-N 3.34Å; F925-L927 PolarHBondContact O-N 2.82Å; F925-S928 PolarHBondContact O-N 3.47Å; F925-S928 PolarHBondContact O-OG 3.31Å; F925-I933 HydrophobicContact CD2-CD1 3.69Å; F925-I933 HydrophobicContact CE2-CD1 4.35Å; F925-I933 HydrophobicContact CG-CD1 4.48Å; F925-P937 HydrophobicContact CE2-CB 4.34Å; F925-P937 HydrophobicContact CZ-CB 4.05Å; F925-L940 HydrophobicContact CB-CD2 3.73Å; F925-L940 HydrophobicContact CD1-CD2 4.22Å; F925-L940 HydrophobicContact CD2-CD2 4.39Å; F925-L940 HydrophobicContact CG-CD2 3.87Å; F925-K980 HydrophobicContact CD1-CB 4.33Å; F925-K980 HydrophobicContact CE1-CB 3.82Å; F925-K980 HydrophobicContact CE1-CG 4.22Å; F925-K980 HydrophobicContact CZ-CB 4.5Å; F925-K980 HydrophobicContact CZ-CG 4.44Å; F925-K980 WeakPolarHBondContact O-CD 3.42Å; F925-L984 HydrophobicContact CD1-CD2 4.29Å; F925-L984 HydrophobicContact CE1-CB 4.42Å |
| 926 | L | 75.3 | Confident | 65.9 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 179.8 | -72.2 | 171.9 | 0 | 0 | 0 | 113.3 | C922 I923 I961 M977 K980 F981 | C922-L926 WeakPolarHBondContact O-CB 3.49Å; C922-L926 VanDerWaalsContact O-CG 3.3Å; C922-L926 WeakPolarHBondContact O-CG 3.47Å; C922-L926 PolarHBondContact O-N 3.17Å; I923-L926 PolarHBondContact O-N 3.39Å; L926-I961 HydrophobicContact CB-CD1 3.71Å; L926-I961 HydrophobicContact CD1-CD1 3.8Å; L926-I961 HydrophobicContact CG-CD1 4.42Å; L926-M977 HydrophobicContact CB-CG 4.11Å; L926-M977 HydrophobicContact CD2-CG 4.12Å; L926-K980 HydrophobicContact CD2-CB 4.32Å; L926-F981 HydrophobicContact CD2-CB 3.87Å |
| 927 | L | 74.3 | Confident | 65 | Low | 13 Ų | 13 | 62.2 Ų | 62.2 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -90.6 | -5.5 | -179.6 | -67.4 | -179.3 | 0 | 0 | 0 | 114.9 | I923 F925 I961 L973 | I923-L927 HydrophobicContact CG2-CD1 3.9Å; I923-L927 WeakPolarHBondContact O-CB 3.44Å; I923-L927 WeakPolarHBondContact O-CG 3.27Å; I923-L927 PolarHBondContact O-N 2.86Å; F925-L927 VanDerWaalsContact C-N 3.34Å; F925-L927 PolarHBondContact O-N 2.82Å; L927-I961 HydrophobicContact CD1-CG1 4.21Å; L927-I961 HydrophobicContact CD2-CD1 4.24Å; L927-I961 HydrophobicContact CD2-CG1 4.36Å; L927-I961 HydrophobicContact CD2-CG2 3.95Å; L927-I961 HydrophobicContact CG-CD1 4.01Å; L927-I961 HydrophobicContact CG-CG1 4.19Å; L927-L973 WeakPolarHBondContact O-CD1 3.2Å; L927-L973 WeakPolarHBondContact O-CD2 3.35Å |
| 928 | S | 69.6 | Low | 64 | Low | 7 Ų | 7 | 60.1 Ų | 60.1 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | trans | -65.3 | 155 | -179.2 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | N924 F925 I933 K980 | N924-S928 VanDerWaalsContact O-CB 3.32Å; N924-S928 WeakPolarHBondContact O-CB 3.13Å; N924-S928 PolarHBondContact O-N 2.8Å; F925-S928 PolarHBondContact O-N 3.47Å; F925-S928 PolarHBondContact O-OG 3.31Å; S928-I933 VanDerWaalsContact CB-CD1 3.48Å; S928-I933 WeakPolarHBondContact OG-CD1 2.78Å; S928-K980 PolarHBondContact O-NZ 3.25Å; S928-K980 PolarHBondContact OG-NZ 2.86Å | ||
| 929 | D | 59.8 | Low | 63.3 | Low | 101 Ų | 101 | 63.9 Ų | 63.9 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | trans | -86.8 | 153.4 | 171.9 | -132.5 | -32.9 | 0 | 0 | 0 | 111 | D931 S932 L973 | D929-D931 PolarHBondContact O-N 3.3Å; D929-D931 VanDerWaalsContact O-N 3.14Å; D929-S932 PolarHBondContact N-OG 2.65Å; D929-S932 PolarHBondContact O-N 2.87Å; D929-S932 PolarHBondContact O-OG 2.88Å; D929-L973 HydrophobicContact CB-CD2 4.37Å | ||
| 930 | K | 56.9 | Low | 62.7 | Low | 125 Ų | 125 | 63.6 Ų | 63.6 | 54% | 0.543 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -29.2 | -170.6 | -79.5 | -164.8 | 175.1 | -171.4 | 0 | 114.5 | E979 | K930-E979 WeakPolarHBondContact CE-OE2 3.46Å; K930-E979 IonicContact NZ-OE1 2.68Å; K930-E979 IonicContact NZ-OE2 2.74Å; K930-E979 PolarHBondContact NZ-OE2 2.95Å |
| 931 | D | 49.7 | Very low | 62.2 | Low | 157 Ų | 157 | 61.2 Ų | 61.2 | 84% | 0.84 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -9 | -179.6 | -57.7 | -42.9 | 0 | 0 | 0 | 113.9 | D929 | D929-D931 PolarHBondContact O-N 3.3Å; D929-D931 VanDerWaalsContact O-N 3.14Å |
| 932 | S | 48 | Very low | 61.7 | Low | 77 Ų | 77 | 61.7 Ų | 61.7 | 54% | 0.538 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -26.2 | -166.9 | 66.9 | 0 | 0 | 0 | 0 | 115.1 | D929 | D929-S932 PolarHBondContact N-OG 2.65Å; D929-S932 PolarHBondContact O-N 2.87Å; D929-S932 PolarHBondContact O-OG 2.88Å |
| 933 | I | 45 | Very low | 61.2 | Low | 58 Ų | 58 | 64.4 Ų | 64.4 | 30% | 0.297 | 34% | 0.343 | S | S | . | . | trans | -103.4 | 110.8 | -179.7 | -66.9 | -166.5 | 0 | 0 | 0 | 109.9 | F925 S928 T935 | F925-I933 HydrophobicContact CD2-CD1 3.69Å; F925-I933 HydrophobicContact CE2-CD1 4.35Å; F925-I933 HydrophobicContact CG-CD1 4.48Å; S928-I933 VanDerWaalsContact CB-CD1 3.48Å; S928-I933 WeakPolarHBondContact OG-CD1 2.78Å; I933-T935 WeakPolarHBondContact CG2-O 3.36Å | ||
| 934 | K | 46.5 | Very low | 60.8 | Low | 208 Ų | 208 | 64.3 Ų | 64.3 | 90% | 0.904 | 34% | 0.342 | S | S | * | . | trans | -92.7 | -16.8 | 169.3 | -73.2 | -174.7 | 176.2 | -179.7 | 0 | 113.6 | ||||
| 935 | T | 45.2 | Very low | 60.3 | Low | 85 Ų | 85 | 64.9 Ų | 64.9 | 52% | 0.521 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -76.4 | 128.8 | 176.4 | 39.9 | 0 | 0 | 0 | 0 | 109.9 | I933 D939 | I933-T935 WeakPolarHBondContact CG2-O 3.36Å; T935-D939 WeakPolarHBondContact CB-OD2 3.33Å; T935-D939 WeakPolarHBondContact CG2-OD2 3.3Å |
| 936 | T | 48.5 | Very low | 59.8 | Low | 90 Ų | 90 | 70 Ų | 70 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | trans | -66.3 | 149.6 | 175.1 | 29.8 | 0 | 0 | 0 | 0 | 110.1 | T938 D939 | T936-T938 WeakPolarHBondContact CB-OG1 3.36Å; T936-T938 PolarHBondContact O-N 3.31Å; T936-T938 PolarHBondContact O-OG1 3.46Å; T936-T938 PolarHBondContact OG1-OG1 2.91Å; T936-D939 PolarHBondContact O-N 3.35Å; T936-D939 VanDerWaalsContact O-N 3.17Å | ||
| 937 | P | 53.6 | Low | 59.3 | Low | 37 Ų | 37 | 71.1 Ų | 71.1 | 24% | 0.24 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -11.8 | -177.3 | 23.8 | -33.8 | 0 | 0 | 0 | 113.7 | F925 D939 L940 S941 | F925-P937 HydrophobicContact CE2-CB 4.34Å; F925-P937 HydrophobicContact CZ-CB 4.05Å; P937-D939 PolarHBondContact O-N 2.83Å; P937-L940 PolarHBondContact O-N 3.49Å; P937-S941 WeakPolarHBondContact O-CB 3.33Å; P937-S941 PolarHBondContact O-N 3.25Å |
| 938 | T | 55.4 | Low | 59.1 | Low | 65 Ų | 65 | 78.2 Ų | 78.2 | 40% | 0.399 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -50.9 | -36.6 | 170.1 | 41.9 | 0 | 0 | 0 | 0 | 113.8 | T936 S941 N942 | T936-T938 WeakPolarHBondContact CB-OG1 3.36Å; T936-T938 PolarHBondContact O-N 3.31Å; T936-T938 PolarHBondContact O-OG1 3.46Å; T936-T938 PolarHBondContact OG1-OG1 2.91Å; T938-S941 PolarHBondContact O-N 3.18Å; T938-N942 VanDerWaalsContact O-CB 3.24Å; T938-N942 WeakPolarHBondContact O-CB 3.28Å; T938-N942 PolarHBondContact O-N 2.93Å; T938-N942 PolarHBondContact O-ND2 2.88Å |
| 939 | D | 61.7 | Low | 59.3 | Low | 83 Ų | 83 | 81.9 Ų | 81.9 | 44% | 0.444 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.5 | -47.5 | -178.4 | -63.5 | -19 | 0 | 0 | 0 | 110.6 | T935 T936 P937 N942 E943 | T935-D939 WeakPolarHBondContact CB-OD2 3.33Å; T935-D939 WeakPolarHBondContact CG2-OD2 3.3Å; T936-D939 PolarHBondContact O-N 3.35Å; T936-D939 VanDerWaalsContact O-N 3.17Å; P937-D939 PolarHBondContact O-N 2.83Å; D939-N942 PolarHBondContact O-N 3.47Å; D939-E943 PolarHBondContact O-N 3.42Å; D939-E943 VanDerWaalsContact O-N 3.11Å |
| 940 | L | 66.3 | Low | 60.1 | Low | 17 Ų | 17 | 77.3 Ų | 77.3 | 9% | 0.089 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68 | -37 | 175.9 | -174.2 | 62.7 | 0 | 0 | 0 | 112.1 | K921 F925 P937 N942 E943 L944 L984 | K921-L940 HydrophobicContact CB-CD1 3.75Å; F925-L940 HydrophobicContact CB-CD2 3.73Å; F925-L940 HydrophobicContact CD1-CD2 4.22Å; F925-L940 HydrophobicContact CD2-CD2 4.39Å; F925-L940 HydrophobicContact CG-CD2 3.87Å; P937-L940 PolarHBondContact O-N 3.49Å; L940-N942 VanDerWaalsContact C-N 3.32Å; L940-N942 PolarHBondContact O-N 2.81Å; L940-E943 PolarHBondContact O-N 3.42Å; L940-L944 HydrophobicContact CG-CD1 4.26Å; L940-L944 WeakPolarHBondContact O-CB 3.1Å; L940-L944 WeakPolarHBondContact O-CG 3Å; L940-L944 PolarHBondContact O-N 3.05Å; L940-L984 HydrophobicContact CD2-CD1 3.82Å; L940-L984 HydrophobicContact CD2-CD2 4.14Å; L940-L984 HydrophobicContact CG-CD1 4.2Å |
| 941 | S | 64.6 | Low | 61 | Low | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65 | -36.2 | 174.9 | -150 | 0 | 0 | 0 | 0 | 111.5 | P937 T938 L944 K945 S987 D991 | P937-S941 WeakPolarHBondContact O-CB 3.33Å; P937-S941 PolarHBondContact O-N 3.25Å; T938-S941 PolarHBondContact O-N 3.18Å; S941-L944 PolarHBondContact O-N 3.47Å; S941-K945 WeakPolarHBondContact O-CG 3.22Å; S941-K945 PolarHBondContact O-N 2.91Å; S941-S987 WeakPolarHBondContact OG-CB 3.44Å; S941-S987 PolarHBondContact OG-OG 3.27Å; S941-D991 WeakPolarHBondContact CB-OD2 3.33Å; S941-D991 PolarHBondContact OG-OD2 2.94Å |
| 942 | N | 67.9 | Low | 62.4 | Low | 73 Ų | 73 | 68.7 Ų | 68.7 | 39% | 0.39 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.8 | -27.7 | 174.9 | -73.8 | -29.2 | 0 | 0 | 0 | 113.6 | T938 D939 L940 K945 | T938-N942 VanDerWaalsContact O-CB 3.24Å; T938-N942 WeakPolarHBondContact O-CB 3.28Å; T938-N942 PolarHBondContact O-N 2.93Å; T938-N942 PolarHBondContact O-ND2 2.88Å; D939-N942 PolarHBondContact O-N 3.47Å; L940-N942 VanDerWaalsContact C-N 3.32Å; L940-N942 PolarHBondContact O-N 2.81Å; N942-K945 PolarHBondContact OD1-NZ 3.31Å |
| 943 | E | 68 | Low | 63.8 | Low | 58 Ų | 58 | 65.1 Ų | 65.1 | 27% | 0.271 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -73.2 | -42.2 | 167 | -69.1 | -169.2 | -174.4 | 0 | 0 | 111.4 | I918 K921 D939 L940 K945 Q946 | I918-E943 HydrophobicContact CD1-CB 4.38Å; I918-E943 HydrophobicContact CG1-CB 4.41Å; K921-E943 WeakPolarHBondContact CD-OE2 3.47Å; K921-E943 WeakPolarHBondContact CE-OE2 3.38Å; K921-E943 IonicContact NZ-OE1 2.68Å; K921-E943 PolarHBondContact NZ-OE1 2.84Å; K921-E943 IonicContact NZ-OE2 3.93Å; K921-E943 PolarHBondContact NZ-OE2 3.33Å; D939-E943 PolarHBondContact O-N 3.42Å; D939-E943 VanDerWaalsContact O-N 3.11Å; L940-E943 PolarHBondContact O-N 3.42Å; E943-K945 VanDerWaalsContact C-N 3.26Å; E943-K945 PolarHBondContact O-N 3.04Å; E943-Q946 WeakPolarHBondContact O-CB 3.49Å; E943-Q946 PolarHBondContact O-N 2.98Å |
| 944 | L | 67.5 | Low | 65.5 | Low | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.5 | -33 | 176 | -75.4 | 164 | 0 | 0 | 0 | 112.6 | I918 L940 S941 Q946 T947 P950 I953 I954 L984 V988 | I918-L944 HydrophobicContact CG2-CD2 3.73Å; I918-L944 HydrophobicContact CG2-CG 4.16Å; L940-L944 HydrophobicContact CG-CD1 4.26Å; L940-L944 WeakPolarHBondContact O-CB 3.1Å; L940-L944 WeakPolarHBondContact O-CG 3Å; L940-L944 PolarHBondContact O-N 3.05Å; S941-L944 PolarHBondContact O-N 3.47Å; L944-Q946 PolarHBondContact O-N 3.13Å; L944-Q946 VanDerWaalsContact O-N 3.13Å; L944-T947 WeakPolarHBondContact O-CB 3.15Å; L944-T947 PolarHBondContact O-N 3.15Å; L944-T947 PolarHBondContact O-OG1 3.39Å; L944-P950 HydrophobicContact CB-CB 3.99Å; L944-P950 HydrophobicContact CD2-CB 4.07Å; L944-I953 HydrophobicContact CD2-CB 4.13Å; L944-I953 HydrophobicContact CD2-CD1 4.18Å; L944-I953 HydrophobicContact CD2-CG2 4.17Å; L944-I954 HydrophobicContact CD1-CD1 4.24Å; L944-I954 HydrophobicContact CD1-CG1 4.3Å; L944-L984 HydrophobicContact CD1-CD1 3.94Å; L944-L984 HydrophobicContact CD1-CG 4.39Å; L944-V988 HydrophobicContact CB-CG2 4.37Å; L944-V988 HydrophobicContact CD1-CG2 3.91Å |
| 945 | K | 65.2 | Low | 67.1 | Low | 84 Ų | 84 | 52.8 Ų | 52.8 | 37% | 0.365 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -21.3 | 170.1 | -78.6 | 175.6 | -168.4 | 162.8 | 0 | 114.9 | S941 N942 E943 D991 H992 | S941-K945 WeakPolarHBondContact O-CG 3.22Å; S941-K945 PolarHBondContact O-N 2.91Å; N942-K945 PolarHBondContact OD1-NZ 3.31Å; E943-K945 VanDerWaalsContact C-N 3.26Å; E943-K945 PolarHBondContact O-N 3.04Å; K945-D991 WeakPolarHBondContact CE-OD1 3.45Å; K945-D991 VanDerWaalsContact NZ-CG 3.29Å; K945-D991 IonicContact NZ-OD1 3.55Å; K945-D991 PolarHBondContact NZ-OD1 2.67Å; K945-D991 IonicContact NZ-OD2 3.62Å; K945-H992 WeakPolarHBondContact CA-NE2 3.45Å |
| 946 | Q | 66.5 | Low | 68.8 | Low | 132 Ų | 132 | 49.9 Ų | 49.9 | 62% | 0.617 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1.8 | 177.5 | -54.8 | -177.2 | 17.7 | 0 | 0 | 112.4 | E943 L944 | E943-Q946 WeakPolarHBondContact O-CB 3.49Å; E943-Q946 PolarHBondContact O-N 2.98Å; L944-Q946 PolarHBondContact O-N 3.13Å; L944-Q946 VanDerWaalsContact O-N 3.13Å |
| 947 | T | 66.5 | Low | 70.3 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 14% | 0.141 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -118.1 | 137.9 | -175.6 | 75.2 | 0 | 0 | 0 | 0 | 110.8 | I918 L944 M949 I953 | I918-T947 HydrophobicContact CD1-CG2 3.57Å; L944-T947 WeakPolarHBondContact O-CB 3.15Å; L944-T947 PolarHBondContact O-N 3.15Å; L944-T947 PolarHBondContact O-OG1 3.39Å; T947-M949 PolarHBondContact O-N 3.12Å; T947-I953 HydrophobicContact CG2-CD1 3.68Å; T947-I953 WeakPolarHBondContact OG1-CD1 3.29Å |
| 948 | N | 69.7 | Low | 71.6 | Confident | 162 Ų | 162 | 43.9 Ų | 43.9 | 87% | 0.866 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -70.5 | -14.7 | -179.5 | -68.3 | -8.1 | 0 | 0 | 0 | 113.7 | ||
| 949 | M | 73.6 | Confident | 72.8 | Confident | 84 Ų | 84 | 42.3 Ų | 42.3 | 41% | 0.414 | 21% | 0.214 | S | C | . | . | trans | -136.8 | 57.6 | -171.1 | -62 | -64.2 | -73.1 | 0 | 0 | 112.2 | T947 I951 Q952 I953 | T947-M949 PolarHBondContact O-N 3.12Å; M949-I951 PolarHBondContact O-N 2.98Å; M949-Q952 HydrophobicContact CB-CB 3.91Å; M949-Q952 HydrophobicContact CE-CB 4.41Å; M949-Q952 VanDerWaalsContact CE-OE1 3.3Å; M949-Q952 WeakPolarHBondContact O-CB 3.43Å; M949-Q952 PolarHBondContact O-N 3.38Å; M949-Q952 VanDerWaalsContact O-N 3.11Å; M949-I953 PolarHBondContact O-N 2.94Å | ||
| 950 | P | 76.1 | Confident | 73.6 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.032 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -41.2 | -170.5 | 27.1 | -37.2 | 0 | 0 | 0 | 112.7 | L944 Q952 I953 I954 V988 | L944-P950 HydrophobicContact CB-CB 3.99Å; L944-P950 HydrophobicContact CD2-CB 4.07Å; P950-Q952 VanDerWaalsContact C-N 3.29Å; P950-Q952 PolarHBondContact O-N 3.39Å; P950-I953 WeakPolarHBondContact O-CB 3.25Å; P950-I953 PolarHBondContact O-N 3.42Å; P950-I953 VanDerWaalsContact O-N 3.16Å; P950-I954 WeakPolarHBondContact O-CG1 3.21Å; P950-I954 PolarHBondContact O-N 3.2Å; P950-I954 VanDerWaalsContact O-N 3.09Å; P950-V988 HydrophobicContact CB-CG1 3.9Å; P950-V988 HydrophobicContact CB-CG2 4.26Å; P950-V988 HydrophobicContact CG-CG1 3.68Å |
| 951 | I | 76.6 | Confident | 74.1 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -38.2 | 177.5 | -60.1 | 158 | 0 | 0 | 0 | 110.5 | M949 I953 I954 L955 V988 I994 C999 Q1002 | M949-I951 PolarHBondContact O-N 2.98Å; I951-I953 VanDerWaalsContact C-N 3.32Å; I951-I953 PolarHBondContact O-N 2.97Å; I951-I954 PolarHBondContact O-N 2.91Å; I951-L955 HydrophobicContact CG2-CD1 3.68Å; I951-L955 HydrophobicContact CG2-CG 4.33Å; I951-L955 WeakPolarHBondContact O-CB 3.45Å; I951-L955 VanDerWaalsContact O-CG 3.26Å; I951-L955 WeakPolarHBondContact O-CG 3.47Å; I951-L955 PolarHBondContact O-N 3.35Å; I951-V988 HydrophobicContact CG1-CG1 3.98Å; I951-I994 HydrophobicContact CD1-CD1 4.29Å; I951-I994 HydrophobicContact CD1-CG2 4.18Å; I951-C999 HydrophobicContact CD1-CB 4.44Å; I951-C999 VanDerWaalsContact CD1-SG 3.58Å; I951-Q1002 HydrophobicContact CG2-CB 3.97Å |
| 952 | Q | 78.3 | Confident | 74.5 | Confident | 99 Ų | 99 | 38.9 Ų | 38.9 | 46% | 0.463 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.7 | -32.3 | 177.3 | -162.4 | -178.9 | 9.8 | 0 | 0 | 112.3 | M949 P950 S956 | M949-Q952 HydrophobicContact CB-CB 3.91Å; M949-Q952 HydrophobicContact CE-CB 4.41Å; M949-Q952 VanDerWaalsContact CE-OE1 3.3Å; M949-Q952 WeakPolarHBondContact O-CB 3.43Å; M949-Q952 PolarHBondContact O-N 3.38Å; M949-Q952 VanDerWaalsContact O-N 3.11Å; P950-Q952 VanDerWaalsContact C-N 3.29Å; P950-Q952 PolarHBondContact O-N 3.39Å; Q952-S956 VanDerWaalsContact O-CB 3.28Å; Q952-S956 WeakPolarHBondContact O-CB 3.32Å; Q952-S956 PolarHBondContact O-N 2.92Å; Q952-S956 PolarHBondContact O-OG 3.01Å |
| 953 | I | 78 | Confident | 74.7 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.5 | -41.7 | 173.2 | -62.6 | 167.2 | 0 | 0 | 0 | 110.8 | Y915 I918 Q919 L944 T947 M949 P950 I951 L955 S956 S957 | Y915-I953 HydrophobicContact CD2-CD1 4.14Å; Y915-I953 HydrophobicContact CD2-CG1 3.94Å; Y915-I953 HydrophobicContact CE2-CD1 4.11Å; Y915-I953 HydrophobicContact CE2-CG1 3.42Å; Y915-I953 VanDerWaalsContact CE2-CG1 3.42Å; I918-I953 HydrophobicContact CG2-CD1 4.5Å; I918-I953 HydrophobicContact CG2-CG2 4.1Å; Q919-I953 HydrophobicContact CB-CG2 4.27Å; L944-I953 HydrophobicContact CD2-CB 4.13Å; L944-I953 HydrophobicContact CD2-CD1 4.18Å; L944-I953 HydrophobicContact CD2-CG2 4.17Å; T947-I953 HydrophobicContact CG2-CD1 3.68Å; T947-I953 WeakPolarHBondContact OG1-CD1 3.29Å; M949-I953 PolarHBondContact O-N 2.94Å; P950-I953 WeakPolarHBondContact O-CB 3.25Å; P950-I953 PolarHBondContact O-N 3.42Å; P950-I953 VanDerWaalsContact O-N 3.16Å; I951-I953 VanDerWaalsContact C-N 3.32Å; I951-I953 PolarHBondContact O-N 2.97Å; I953-L955 VanDerWaalsContact C-N 3.34Å; I953-L955 PolarHBondContact O-N 3.44Å; I953-S956 PolarHBondContact O-N 3.45Å; I953-S956 PolarHBondContact O-OG 3.01Å; I953-S957 VanDerWaalsContact O-CB 3.3Å; I953-S957 WeakPolarHBondContact O-CB 3.27Å; I953-S957 PolarHBondContact O-N 2.88Å; I953-S957 PolarHBondContact O-OG 3.31Å |
| 954 | I | 79.5 | Confident | 74.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.2 | -63 | 165 | 0 | 0 | 0 | 110.4 | L944 P950 I951 S957 L958 F981 L984 V988 | L944-I954 HydrophobicContact CD1-CD1 4.24Å; L944-I954 HydrophobicContact CD1-CG1 4.3Å; P950-I954 WeakPolarHBondContact O-CG1 3.21Å; P950-I954 PolarHBondContact O-N 3.2Å; P950-I954 VanDerWaalsContact O-N 3.09Å; I951-I954 PolarHBondContact O-N 2.91Å; I954-S957 WeakPolarHBondContact O-CB 3.4Å; I954-S957 PolarHBondContact O-N 2.89Å; I954-L958 PolarHBondContact O-N 3.05Å; I954-F981 HydrophobicContact CG2-CD2 3.78Å; I954-F981 HydrophobicContact CG2-CE2 3.63Å; I954-L984 HydrophobicContact CD1-CD2 4.11Å; I954-L984 HydrophobicContact CD1-CG 3.77Å; I954-L984 HydrophobicContact CG1-CD2 3.82Å; I954-L984 HydrophobicContact CG1-CG 4.07Å; I954-L984 HydrophobicContact CG2-CD2 4.24Å; I954-V988 HydrophobicContact CD1-CG2 3.86Å |
| 955 | L | 81.7 | Confident | 74.5 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.6 | -32.3 | 179.6 | -66.8 | 168.5 | 0 | 0 | 0 | 112.9 | I951 I953 N959 F981 Q1002 W1006 | I951-L955 HydrophobicContact CG2-CD1 3.68Å; I951-L955 HydrophobicContact CG2-CG 4.33Å; I951-L955 WeakPolarHBondContact O-CB 3.45Å; I951-L955 VanDerWaalsContact O-CG 3.26Å; I951-L955 WeakPolarHBondContact O-CG 3.47Å; I951-L955 PolarHBondContact O-N 3.35Å; I953-L955 VanDerWaalsContact C-N 3.34Å; I953-L955 PolarHBondContact O-N 3.44Å; L955-N959 WeakPolarHBondContact O-CB 3.32Å; L955-N959 PolarHBondContact O-N 2.96Å; L955-F981 HydrophobicContact CD2-CE2 4.06Å; L955-F981 HydrophobicContact CD2-CZ 3.89Å; L955-Q1002 HydrophobicContact CD1-CB 4.41Å; L955-W1006 HydrophobicContact CB-CB 4.43Å; L955-W1006 HydrophobicContact CB-CD2 4.28Å; L955-W1006 HydrophobicContact CB-CG 3.87Å; L955-W1006 HydrophobicContact CD1-CB 3.83Å; L955-W1006 HydrophobicContact CD1-CG 4.17Å; L955-W1006 HydrophobicContact CD2-CB 4.19Å; L955-W1006 HydrophobicContact CD2-CD2 3.81Å; L955-W1006 HydrophobicContact CD2-CE3 3.95Å; L955-W1006 HydrophobicContact CD2-CG 3.91Å; L955-W1006 HydrophobicContact CG-CB 4.38Å; L955-W1006 HydrophobicContact CG-CG 4.2Å; L955-W1006 PolarHBondContact O-NE1 3.11Å; L955-W1006 VanDerWaalsContact O-NE1 3.08Å |
| 956 | S | 80.2 | Confident | 74.1 | Confident | 24 Ų | 24 | 43.5 Ų | 43.5 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.3 | -34.9 | 171.5 | 74.5 | 0 | 0 | 0 | 0 | 111.9 | Y915 Q919 Q952 I953 N959 A960 | Y915-S956 PolarHBondContact OH-OG 3.21Å; Q919-S956 VanDerWaalsContact NE2-C 3.34Å; Q919-S956 PolarHBondContact NE2-O 3.16Å; Q919-S956 VanDerWaalsContact NE2-O 3.14Å; Q919-S956 PolarHBondContact NE2-OG 2.78Å; Q952-S956 VanDerWaalsContact O-CB 3.28Å; Q952-S956 WeakPolarHBondContact O-CB 3.32Å; Q952-S956 PolarHBondContact O-N 2.92Å; Q952-S956 PolarHBondContact O-OG 3.01Å; I953-S956 PolarHBondContact O-N 3.45Å; I953-S956 PolarHBondContact O-OG 3.01Å; S956-N959 PolarHBondContact O-N 2.93Å; S956-A960 WeakPolarHBondContact O-CB 3.34Å; S956-A960 PolarHBondContact O-N 3.18Å |
| 957 | S | 79.6 | Confident | 74 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -48.8 | 170.6 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | Q919 C922 I953 I954 N959 A960 I961 | Q919-S957 WeakPolarHBondContact CG-OG 3.49Å; Q919-S957 PolarHBondContact O-OG 3.16Å; C922-S957 VanDerWaalsContact CB-OG 3.22Å; C922-S957 WeakPolarHBondContact CB-OG 3.29Å; I953-S957 VanDerWaalsContact O-CB 3.3Å; I953-S957 WeakPolarHBondContact O-CB 3.27Å; I953-S957 PolarHBondContact O-N 2.88Å; I953-S957 PolarHBondContact O-OG 3.31Å; I954-S957 WeakPolarHBondContact O-CB 3.4Å; I954-S957 PolarHBondContact O-N 2.89Å; S957-N959 PolarHBondContact O-N 2.93Å; S957-A960 PolarHBondContact O-N 3Å; S957-I961 WeakPolarHBondContact O-CG1 3.27Å; S957-I961 PolarHBondContact O-N 3.35Å |
| 958 | L | 80.8 | Confident | 73.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 176 | -176.6 | 63.9 | 0 | 0 | 0 | 111.7 | I954 A960 I961 L962 M977 F981 W1006 V1026 | I954-L958 PolarHBondContact O-N 3.05Å; L958-A960 PolarHBondContact O-N 2.95Å; L958-I961 PolarHBondContact O-N 3.3Å; L958-L962 HydrophobicContact CD1-CD1 4.14Å; L958-L962 HydrophobicContact CD1-CG 4.4Å; L958-L962 HydrophobicContact CG-CD1 3.93Å; L958-L962 WeakPolarHBondContact O-CB 3.49Å; L958-L962 VanDerWaalsContact O-CG 3.29Å; L958-L962 WeakPolarHBondContact O-CG 3.45Å; L958-L962 PolarHBondContact O-N 2.86Å; L958-M977 HydrophobicContact CD1-CE 3.7Å; L958-M977 HydrophobicContact CD1-SD 4.1Å; L958-F981 HydrophobicContact CB-CE2 4.49Å; L958-F981 HydrophobicContact CD2-CD2 4.11Å; L958-F981 HydrophobicContact CD2-CE2 3.69Å; L958-F981 HydrophobicContact CD2-CZ 4.22Å; L958-W1006 HydrophobicContact CB-CH2 4.5Å; L958-W1006 HydrophobicContact CB-CZ2 4.32Å; L958-W1006 HydrophobicContact CD2-CH2 3.46Å; L958-W1006 VanDerWaalsContact CD2-CH2 3.46Å; L958-W1006 HydrophobicContact CD2-CZ2 4.06Å; L958-W1006 HydrophobicContact CD2-CZ3 3.78Å; L958-W1006 HydrophobicContact CG-CH2 3.81Å; L958-W1006 HydrophobicContact CG-CZ2 4.1Å; L958-V1026 HydrophobicContact CD2-CG1 3.96Å |
| 959 | N | 81.6 | Confident | 72.8 | Confident | 32 Ų | 32 | 38.7 Ų | 38.7 | 17% | 0.171 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 173.3 | 171.7 | 93.2 | 0 | 0 | 0 | 112.1 | L955 S956 S957 L962 T963 W1006 T1010 | L955-N959 WeakPolarHBondContact O-CB 3.32Å; L955-N959 PolarHBondContact O-N 2.96Å; S956-N959 PolarHBondContact O-N 2.93Å; S957-N959 PolarHBondContact O-N 2.93Å; N959-L962 PolarHBondContact O-N 3.13Å; N959-T963 WeakPolarHBondContact O-CB 3.33Å; N959-T963 WeakPolarHBondContact O-CG2 3.43Å; N959-T963 PolarHBondContact O-N 3.3Å; N959-T963 PolarHBondContact O-OG1 2.82Å; N959-W1006 HydrophobicContact CB-CZ2 4.06Å; N959-T1010 HydrophobicContact CB-CG2 4.43Å; N959-T1010 VanDerWaalsContact OD1-CG2 3.24Å; N959-T1010 WeakPolarHBondContact OD1-CG2 3.26Å |
| 960 | A | 77.9 | Confident | 71.9 | Confident | 19 Ų | 19 | 35.4 Ų | 35.4 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I923 S956 S957 L958 S964 | I923-A960 HydrophobicContact CD1-CB 3.8Å; S956-A960 WeakPolarHBondContact O-CB 3.34Å; S956-A960 PolarHBondContact O-N 3.18Å; S957-A960 PolarHBondContact O-N 3Å; L958-A960 PolarHBondContact O-N 2.95Å; A960-S964 WeakPolarHBondContact O-CB 3.48Å; A960-S964 PolarHBondContact O-N 3.09Å |
| 961 | I | 76 | Confident | 70.8 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -52.7 | 174 | -67.4 | 165.4 | 0 | 0 | 0 | 110.7 | I923 L926 L927 S957 L958 T963 S964 M977 | I923-I961 HydrophobicContact CG1-CD1 4.43Å; I923-I961 HydrophobicContact CG1-CG1 4.3Å; I923-I961 HydrophobicContact CG2-CD1 4.29Å; I923-I961 HydrophobicContact CG2-CG1 3.96Å; L926-I961 HydrophobicContact CB-CD1 3.71Å; L926-I961 HydrophobicContact CD1-CD1 3.8Å; L926-I961 HydrophobicContact CG-CD1 4.42Å; L927-I961 HydrophobicContact CD1-CG1 4.21Å; L927-I961 HydrophobicContact CD2-CD1 4.24Å; L927-I961 HydrophobicContact CD2-CG1 4.36Å; L927-I961 HydrophobicContact CD2-CG2 3.95Å; L927-I961 HydrophobicContact CG-CD1 4.01Å; L927-I961 HydrophobicContact CG-CG1 4.19Å; S957-I961 WeakPolarHBondContact O-CG1 3.27Å; S957-I961 PolarHBondContact O-N 3.35Å; L958-I961 PolarHBondContact O-N 3.3Å; I961-T963 VanDerWaalsContact C-N 3.31Å; I961-T963 PolarHBondContact O-N 2.77Å; I961-S964 PolarHBondContact O-N 3.36Å; I961-S964 PolarHBondContact O-OG 3Å; I961-M977 HydrophobicContact CD1-SD 4.36Å; I961-M977 HydrophobicContact CG2-SD 4.18Å |
| 962 | L | 74.1 | Confident | 69.5 | Low | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.1 | -28.3 | -175.4 | -69.3 | 169.3 | 0 | 0 | 0 | 113.7 | L958 N959 W1006 F1014 Q1019 I1022 A1023 | L958-L962 HydrophobicContact CD1-CD1 4.14Å; L958-L962 HydrophobicContact CD1-CG 4.4Å; L958-L962 HydrophobicContact CG-CD1 3.93Å; L958-L962 WeakPolarHBondContact O-CB 3.49Å; L958-L962 VanDerWaalsContact O-CG 3.29Å; L958-L962 WeakPolarHBondContact O-CG 3.45Å; L958-L962 PolarHBondContact O-N 2.86Å; N959-L962 PolarHBondContact O-N 3.13Å; L962-W1006 HydrophobicContact CD1-CH2 3.92Å; L962-W1006 HydrophobicContact CD1-CZ2 4.45Å; L962-F1014 HydrophobicContact CB-CE1 3.9Å; L962-F1014 HydrophobicContact CD1-CE1 3.9Å; L962-F1014 HydrophobicContact CD1-CZ 3.79Å; L962-Q1019 WeakPolarHBondContact O-CG 3.39Å; L962-Q1019 PolarHBondContact O-NE2 2.88Å; L962-I1022 HydrophobicContact CD2-CB 3.9Å; L962-I1022 HydrophobicContact CD2-CD1 4.14Å; L962-I1022 HydrophobicContact CD2-CG2 3.81Å; L962-A1023 HydrophobicContact CD1-CB 3.9Å |
| 963 | T | 72.1 | Confident | 68.3 | Low | 63 Ų | 63 | 42.2 Ų | 42.2 | 39% | 0.387 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -95.3 | -5.6 | 178.8 | 56 | 0 | 0 | 0 | 0 | 113.9 | N959 I961 | N959-T963 WeakPolarHBondContact O-CB 3.33Å; N959-T963 WeakPolarHBondContact O-CG2 3.43Å; N959-T963 PolarHBondContact O-N 3.3Å; N959-T963 PolarHBondContact O-OG1 2.82Å; I961-T963 VanDerWaalsContact C-N 3.31Å; I961-T963 PolarHBondContact O-N 2.77Å |
| 964 | S | 71.8 | Confident | 67.5 | Low | 16 Ų | 16 | 44 Ų | 44 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -64.8 | 146.3 | 172.2 | 73.9 | 0 | 0 | 0 | 0 | 111.5 | A960 I961 N966 Y967 | A960-S964 WeakPolarHBondContact O-CB 3.48Å; A960-S964 PolarHBondContact O-N 3.09Å; I961-S964 PolarHBondContact O-N 3.36Å; I961-S964 PolarHBondContact O-OG 3Å; S964-N966 VanDerWaalsContact C-N 3.29Å; S964-N966 PolarHBondContact O-N 2.84Å; S964-Y967 VanDerWaalsContact O-CD1 3.23Å; S964-Y967 WeakPolarHBondContact O-CD1 3.33Å |
| 965 | F | 58.9 | Low | 66.8 | Low | 196 Ų | 196 | 51.9 Ų | 51.9 | 86% | 0.86 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -22.2 | -176.1 | -130.2 | -87.9 | 0 | 0 | 0 | 113.6 | ||
| 966 | N | 57.7 | Low | 66.1 | Low | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.203 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -5 | -171.3 | -73.6 | -26.1 | 0 | 0 | 0 | 115 | L891 D894 S964 L968 N969 | L891-N966 HydrophobicContact CD2-CB 3.6Å; L891-N966 HydrophobicContact CG-CB 3.99Å; D894-N966 PolarHBondContact OD2-ND2 3.47Å; S964-N966 VanDerWaalsContact C-N 3.29Å; S964-N966 PolarHBondContact O-N 2.84Å; N966-L968 PolarHBondContact O-N 3.26Å; N966-L968 VanDerWaalsContact O-N 3.08Å; N966-N969 WeakPolarHBondContact O-CB 3.5Å; N966-N969 PolarHBondContact O-N 3.36Å; N966-N969 PolarHBondContact O-ND2 3.44Å |
| 967 | Y | 63.2 | Low | 65.7 | Low | 17 Ų | 17 | 51 Ų | 51 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -55.7 | -30.8 | -172.3 | 81.8 | -71.6 | 0 | 0 | 0 | 114.4 | S964 N969 C970 E1016 T1018 Q1019 I1022 | S964-Y967 VanDerWaalsContact O-CD1 3.23Å; S964-Y967 WeakPolarHBondContact O-CD1 3.33Å; Y967-N969 PolarHBondContact O-N 2.97Å; Y967-N969 VanDerWaalsContact O-N 3.11Å; Y967-C970 PolarHBondContact O-N 2.96Å; Y967-E1016 WeakPolarHBondContact OH-CB 3.48Å; Y967-E1016 PolarHBondContact OH-OE1 2.99Å; Y967-E1016 PolarHBondContact OH-OE2 2.72Å; Y967-T1018 PolarHBondContact OH-OG1 3.4Å; Y967-Q1019 HydrophobicContact CD2-CG 4.42Å; Y967-Q1019 HydrophobicContact CE1-CG 4.27Å; Y967-Q1019 HydrophobicContact CE2-CG 3.66Å; Y967-I1022 HydrophobicContact CD2-CD1 4.32Å; Y967-I1022 HydrophobicContact CE2-CD1 4.45Å |
| 968 | L | 56.4 | Low | 65.5 | Low | 93 Ų | 93 | 53 Ų | 53 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -55.8 | -25.7 | 176.9 | -77.3 | 166.2 | 0 | 0 | 0 | 113.7 | N966 C970 | N966-L968 PolarHBondContact O-N 3.26Å; N966-L968 VanDerWaalsContact O-N 3.08Å; L968-C970 VanDerWaalsContact C-N 3.31Å; L968-C970 PolarHBondContact O-N 3.36Å |
| 969 | N | 55.1 | Low | 65.1 | Low | 105 Ų | 105 | 57.8 Ų | 57.8 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -79.8 | -6.9 | -175.7 | -64.7 | -41.8 | 0 | 0 | 0 | 114.2 | V887 N966 Y967 P971 | V887-N969 HydrophobicContact CG1-CB 4.4Å; N966-N969 WeakPolarHBondContact O-CB 3.5Å; N966-N969 PolarHBondContact O-N 3.36Å; N966-N969 PolarHBondContact O-ND2 3.44Å; Y967-N969 PolarHBondContact O-N 2.97Å; Y967-N969 VanDerWaalsContact O-N 3.11Å; N969-P971 WeakPolarHBondContact O-CD 3.41Å |
| 970 | C | 54.9 | Low | 64.8 | Low | 16 Ų | 16 | 57.4 Ų | 57.4 | 11% | 0.108 | 30% | 0.296 | C | S | . | . | trans | -121.5 | 43.6 | -166.8 | -71.3 | 0 | 0 | 0 | 0 | 116.8 | L891 Y967 L968 L972 L973 | L891-C970 VanDerWaalsContact CD1-SG 3.55Å; Y967-C970 PolarHBondContact O-N 2.96Å; L968-C970 VanDerWaalsContact C-N 3.31Å; L968-C970 PolarHBondContact O-N 3.36Å; C970-L972 PolarHBondContact O-N 3.42Å; C970-L973 HydrophobicContact CB-CB 4.37Å; C970-L973 HydrophobicContact CB-CD1 4.07Å; C970-L973 PolarHBondContact O-N 3.47Å | ||
| 971 | P | 52.7 | Low | 64.9 | Low | 90 Ų | 90 | 56.5 Ų | 56.5 | 58% | 0.584 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -15.1 | -174.2 | 27.4 | -36.5 | 0 | 0 | 0 | 115.9 | N969 | N969-P971 WeakPolarHBondContact O-CD 3.41Š|
| 972 | L | 50.2 | Low | 64.9 | Low | 143 Ų | 143 | 57 Ų | 57 | 75% | 0.749 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -39.4 | 173.4 | -72.8 | 171.2 | 0 | 0 | 0 | 112.8 | C970 L974 K975 | C970-L972 PolarHBondContact O-N 3.42Å; L972-L974 VanDerWaalsContact C-N 3.33Å; L972-L974 PolarHBondContact O-N 3.44Å; L972-K975 PolarHBondContact O-N 3.37Å |
| 973 | L | 53 | Low | 65 | Low | 17 Ų | 17 | 59.4 Ų | 59.4 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.5 | -37 | -178.2 | -69.6 | 174.1 | 0 | 0 | 0 | 111.5 | L888 L927 D929 C970 K975 S976 M977 | L888-L973 HydrophobicContact CD1-CD1 4.05Å; L927-L973 WeakPolarHBondContact O-CD1 3.2Å; L927-L973 WeakPolarHBondContact O-CD2 3.35Å; D929-L973 HydrophobicContact CB-CD2 4.37Å; C970-L973 HydrophobicContact CB-CB 4.37Å; C970-L973 HydrophobicContact CB-CD1 4.07Å; C970-L973 PolarHBondContact O-N 3.47Å; L973-K975 VanDerWaalsContact C-N 3.27Å; L973-K975 PolarHBondContact O-N 2.73Å; L973-S976 WeakPolarHBondContact O-CA 3.38Å; L973-S976 PolarHBondContact O-N 2.84Å; L973-S976 PolarHBondContact O-OG 2.83Å; L973-M977 PolarHBondContact O-N 3.21Å |
| 974 | L | 61.2 | Low | 65.1 | Low | 40 Ų | 40 | 56.4 Ų | 56.4 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -45 | -46.8 | 175 | -93.6 | 49.9 | 0 | 0 | 0 | 113.1 | L972 S976 M977 D978 I1022 | L972-L974 VanDerWaalsContact C-N 3.33Å; L972-L974 PolarHBondContact O-N 3.44Å; L974-S976 VanDerWaalsContact C-N 3.26Å; L974-S976 PolarHBondContact O-N 3.4Å; L974-M977 VanDerWaalsContact O-CB 3.31Å; L974-M977 WeakPolarHBondContact O-CB 3.49Å; L974-M977 PolarHBondContact O-N 3.08Å; L974-M977 VanDerWaalsContact O-N 3.11Å; L974-D978 PolarHBondContact O-N 3Å; L974-I1022 HydrophobicContact CD1-CD1 4.49Å; L974-I1022 HydrophobicContact CD2-CD1 3.46Å; L974-I1022 VanDerWaalsContact CD2-CD1 3.46Å; L974-I1022 HydrophobicContact CD2-CG1 3.67Å; L974-I1022 HydrophobicContact CG-CD1 3.95Å; L974-I1022 HydrophobicContact CG-CG1 4.05Å; L974-I1022 HydrophobicContact CG-CG2 4.39Å |
| 975 | K | 63.1 | Low | 65.4 | Low | 164 Ų | 164 | 55.7 Ų | 55.7 | 71% | 0.713 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.2 | -26 | 179.6 | -74.7 | -169.8 | 174.4 | -174 | 0 | 114 | L972 L973 | L972-K975 PolarHBondContact O-N 3.37Å; L973-K975 VanDerWaalsContact C-N 3.27Å; L973-K975 PolarHBondContact O-N 2.73Å |
| 976 | S | 66.7 | Low | 66.2 | Low | 10 Ų | 10 | 48.7 Ų | 48.7 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -85.4 | -24.9 | 173.8 | 78.2 | 0 | 0 | 0 | 0 | 112.3 | L973 L974 E979 K980 | L973-S976 WeakPolarHBondContact O-CA 3.38Å; L973-S976 PolarHBondContact O-N 2.84Å; L973-S976 PolarHBondContact O-OG 2.83Å; L974-S976 VanDerWaalsContact C-N 3.26Å; L974-S976 PolarHBondContact O-N 3.4Å; S976-E979 PolarHBondContact O-N 2.68Å; S976-K980 WeakPolarHBondContact O-CB 3.3Å; S976-K980 VanDerWaalsContact O-CG 3.26Å; S976-K980 WeakPolarHBondContact O-CG 3.36Å; S976-K980 PolarHBondContact O-N 2.79Å; S976-K980 VanDerWaalsContact O-N 3.1Å |
| 977 | M | 73.2 | Confident | 66.8 | Low | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 178.6 | -164.9 | -174.9 | 71.9 | 0 | 0 | 111.5 | L926 L958 I961 L973 L974 E979 K980 F981 I1022 V1026 | L926-M977 HydrophobicContact CB-CG 4.11Å; L926-M977 HydrophobicContact CD2-CG 4.12Å; L958-M977 HydrophobicContact CD1-CE 3.7Å; L958-M977 HydrophobicContact CD1-SD 4.1Å; I961-M977 HydrophobicContact CD1-SD 4.36Å; I961-M977 HydrophobicContact CG2-SD 4.18Å; L973-M977 PolarHBondContact O-N 3.21Å; L974-M977 VanDerWaalsContact O-CB 3.31Å; L974-M977 WeakPolarHBondContact O-CB 3.49Å; L974-M977 PolarHBondContact O-N 3.08Å; L974-M977 VanDerWaalsContact O-N 3.11Å; M977-E979 PolarHBondContact O-N 2.72Å; M977-K980 PolarHBondContact O-N 3.15Å; M977-F981 WeakPolarHBondContact O-CB 3.22Å; M977-F981 PolarHBondContact O-N 3.21Å; M977-I1022 HydrophobicContact CE-CG2 3.42Å; M977-I1022 VanDerWaalsContact CE-CG2 3.42Å; M977-V1026 HydrophobicContact CE-CG2 3.65Å |
| 978 | D | 74.2 | Confident | 67.3 | Low | 42 Ų | 42 | 47.1 Ų | 47.1 | 23% | 0.225 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.7 | -51.1 | 175.6 | -64.7 | -15.2 | 0 | 0 | 0 | 111.6 | L974 K980 V982 V1026 K1029 | L974-D978 PolarHBondContact O-N 3Å; D978-K980 PolarHBondContact O-N 3.04Å; D978-V982 WeakPolarHBondContact O-CB 3.48Å; D978-V982 VanDerWaalsContact O-CG2 3.3Å; D978-V982 WeakPolarHBondContact O-CG2 3.39Å; D978-V982 PolarHBondContact O-N 3.36Å; D978-V1026 WeakPolarHBondContact OD1-CG2 3.42Å; D978-K1029 HydrophobicContact CB-CG 4.31Å |
| 979 | E | 73.4 | Confident | 68 | Low | 101 Ų | 101 | 43.2 Ų | 43.2 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65 | -38.1 | 179 | -64.8 | 177.1 | 163.2 | 0 | 0 | 112.2 | K930 S976 M977 S983 | K930-E979 WeakPolarHBondContact CE-OE2 3.46Å; K930-E979 IonicContact NZ-OE1 2.68Å; K930-E979 IonicContact NZ-OE2 2.74Å; K930-E979 PolarHBondContact NZ-OE2 2.95Å; S976-E979 PolarHBondContact O-N 2.68Å; M977-E979 PolarHBondContact O-N 2.72Å; E979-S983 WeakPolarHBondContact O-CB 3.42Å; E979-S983 PolarHBondContact O-N 3.32Å |
| 980 | K | 75 | Confident | 68.7 | Low | 25 Ų | 25 | 43.6 Ų | 43.6 | 11% | 0.109 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.4 | -42.2 | -177.6 | -73.1 | 175.3 | -175.6 | -174.4 | 0 | 112.9 | F925 L926 S928 S976 M977 D978 V982 S983 L984 | F925-K980 HydrophobicContact CD1-CB 4.33Å; F925-K980 HydrophobicContact CE1-CB 3.82Å; F925-K980 HydrophobicContact CE1-CG 4.22Å; F925-K980 HydrophobicContact CZ-CB 4.5Å; F925-K980 HydrophobicContact CZ-CG 4.44Å; F925-K980 WeakPolarHBondContact O-CD 3.42Å; L926-K980 HydrophobicContact CD2-CB 4.32Å; S928-K980 PolarHBondContact O-NZ 3.25Å; S928-K980 PolarHBondContact OG-NZ 2.86Å; S976-K980 WeakPolarHBondContact O-CB 3.3Å; S976-K980 VanDerWaalsContact O-CG 3.26Å; S976-K980 WeakPolarHBondContact O-CG 3.36Å; S976-K980 PolarHBondContact O-N 2.79Å; S976-K980 VanDerWaalsContact O-N 3.1Å; M977-K980 PolarHBondContact O-N 3.15Å; D978-K980 PolarHBondContact O-N 3.04Å; K980-V982 VanDerWaalsContact C-N 3.31Å; K980-V982 PolarHBondContact O-N 3.13Å; K980-S983 PolarHBondContact O-N 2.88Å; K980-L984 WeakPolarHBondContact O-CB 3.42Å; K980-L984 PolarHBondContact O-N 2.93Å |
| 981 | F | 80 | Confident | 69.1 | Low | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 172.3 | 177.1 | -90.7 | 0 | 0 | 0 | 110.5 | L926 I954 L955 L958 M977 S983 L984 C985 V1026 I1027 L1030 | L926-F981 HydrophobicContact CD2-CB 3.87Å; I954-F981 HydrophobicContact CG2-CD2 3.78Å; I954-F981 HydrophobicContact CG2-CE2 3.63Å; L955-F981 HydrophobicContact CD2-CE2 4.06Å; L955-F981 HydrophobicContact CD2-CZ 3.89Å; L958-F981 HydrophobicContact CB-CE2 4.49Å; L958-F981 HydrophobicContact CD2-CD2 4.11Å; L958-F981 HydrophobicContact CD2-CE2 3.69Å; L958-F981 HydrophobicContact CD2-CZ 4.22Å; M977-F981 WeakPolarHBondContact O-CB 3.22Å; M977-F981 PolarHBondContact O-N 3.21Å; F981-S983 PolarHBondContact O-N 2.75Å; F981-L984 PolarHBondContact O-N 3.13Å; F981-C985 PolarHBondContact O-N 3.2Å; F981-C985 PolarHBondContact O-SG 3.15Å; F981-C985 VanDerWaalsContact O-SG 3.39Å; F981-V1026 HydrophobicContact CB-CG1 3.95Å; F981-V1026 HydrophobicContact CD1-CG1 3.19Å; F981-V1026 HydrophobicContact CD2-CG1 3.89Å; F981-V1026 HydrophobicContact CE1-CG1 3.48Å; F981-V1026 VanDerWaalsContact CE1-CG1 3.48Å; F981-V1026 HydrophobicContact CE2-CG1 4.15Å; F981-V1026 HydrophobicContact CG-CG1 3.4Å; F981-V1026 VanDerWaalsContact CG-CG1 3.4Å; F981-V1026 HydrophobicContact CZ-CG1 3.96Å; F981-I1027 HydrophobicContact CZ-CD1 4.49Å; F981-L1030 HydrophobicContact CE1-CB 4.2Å; F981-L1030 HydrophobicContact CE1-CD2 3.87Å |
| 982 | V | 75.5 | Confident | 69.4 | Low | 18 Ų | 18 | 43.7 Ų | 43.7 | 11% | 0.109 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 174.7 | 164.1 | 0 | 0 | 0 | 0 | 112.1 | D978 K980 L984 C985 H986 K1029 L1030 T1033 | D978-V982 WeakPolarHBondContact O-CB 3.48Å; D978-V982 VanDerWaalsContact O-CG2 3.3Å; D978-V982 WeakPolarHBondContact O-CG2 3.39Å; D978-V982 PolarHBondContact O-N 3.36Å; K980-V982 VanDerWaalsContact C-N 3.31Å; K980-V982 PolarHBondContact O-N 3.13Å; V982-L984 PolarHBondContact O-N 2.88Å; V982-C985 PolarHBondContact O-N 3.31Å; V982-H986 WeakPolarHBondContact O-CB 3.47Å; V982-H986 PolarHBondContact O-CD2 3.49Å; V982-H986 PolarHBondContact O-N 3.19Å; V982-K1029 HydrophobicContact CG2-CB 4.4Å; V982-K1029 HydrophobicContact CG2-CG 4.02Å; V982-L1030 HydrophobicContact CG2-CB 4.12Å; V982-L1030 HydrophobicContact CG2-CD1 4.44Å; V982-T1033 HydrophobicContact CG1-CG2 3.4Å; V982-T1033 HydrophobicContact CG2-CG2 4.29Å |
| 983 | S | 75.9 | Confident | 69.9 | Low | 51 Ų | 51 | 45.8 Ų | 45.8 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.9 | -33 | 177.9 | -173.8 | 0 | 0 | 0 | 0 | 113 | E979 K980 F981 S987 | E979-S983 WeakPolarHBondContact O-CB 3.42Å; E979-S983 PolarHBondContact O-N 3.32Å; K980-S983 PolarHBondContact O-N 2.88Å; F981-S983 PolarHBondContact O-N 2.75Å; S983-S987 WeakPolarHBondContact O-CB 3.24Å; S983-S987 PolarHBondContact O-N 3.09Å |
| 984 | L | 75.7 | Confident | 70.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -79.6 | -38.1 | -178.5 | -168.1 | 61.1 | 0 | 0 | 0 | 111.9 | F925 L940 L944 I954 K980 F981 V982 S987 V988 | F925-L984 HydrophobicContact CD1-CD2 4.29Å; F925-L984 HydrophobicContact CE1-CB 4.42Å; L940-L984 HydrophobicContact CD2-CD1 3.82Å; L940-L984 HydrophobicContact CD2-CD2 4.14Å; L940-L984 HydrophobicContact CG-CD1 4.2Å; L944-L984 HydrophobicContact CD1-CD1 3.94Å; L944-L984 HydrophobicContact CD1-CG 4.39Å; I954-L984 HydrophobicContact CD1-CD2 4.11Å; I954-L984 HydrophobicContact CD1-CG 3.77Å; I954-L984 HydrophobicContact CG1-CD2 3.82Å; I954-L984 HydrophobicContact CG1-CG 4.07Å; I954-L984 HydrophobicContact CG2-CD2 4.24Å; K980-L984 WeakPolarHBondContact O-CB 3.42Å; K980-L984 PolarHBondContact O-N 2.93Å; F981-L984 PolarHBondContact O-N 3.13Å; V982-L984 PolarHBondContact O-N 2.88Å; L984-S987 PolarHBondContact O-N 2.68Å; L984-S987 PolarHBondContact O-OG 3.05Å; L984-S987 VanDerWaalsContact O-OG 3.08Å; L984-V988 WeakPolarHBondContact O-CB 3.36Å; L984-V988 WeakPolarHBondContact O-CG2 3.32Å; L984-V988 PolarHBondContact O-N 2.87Å |
| 985 | C | 78.3 | Confident | 70.5 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 171.8 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | F981 V982 S989 L1030 | F981-C985 PolarHBondContact O-N 3.2Å; F981-C985 PolarHBondContact O-SG 3.15Å; F981-C985 VanDerWaalsContact O-SG 3.39Å; V982-C985 PolarHBondContact O-N 3.31Å; C985-S989 WeakPolarHBondContact O-CB 3.4Å; C985-S989 PolarHBondContact O-N 3.31Å; C985-L1030 HydrophobicContact CB-CD1 3.75Å; C985-L1030 HydrophobicContact CB-CD2 4.43Å |
| 986 | H | 74.6 | Confident | 70.8 | Confident | 50 Ų | 50 | 44.4 Ų | 44.4 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -42.6 | 173.3 | -90.4 | -92.6 | 0 | 0 | 0 | 112.2 | V982 S989 V990 M996 T1033 | V982-H986 WeakPolarHBondContact O-CB 3.47Å; V982-H986 PolarHBondContact O-CD2 3.49Å; V982-H986 PolarHBondContact O-N 3.19Å; H986-S989 PolarHBondContact O-N 3.27Å; H986-V990 WeakPolarHBondContact O-CG2 3.24Å; H986-V990 PolarHBondContact O-N 2.99Å; H986-V990 VanDerWaalsContact O-N 3.11Å; H986-M996 WeakPolarHBondContact NE2-CE 3.45Å; H986-T1033 WeakPolarHBondContact NE2-CB 3.29Å; H986-T1033 PolarHBondContact NE2-OG1 2.97Å |
| 987 | S | 71.2 | Confident | 70.8 | Confident | 21 Ų | 21 | 48 Ų | 48 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 176.8 | 74.9 | 0 | 0 | 0 | 0 | 110.7 | S941 S983 L984 S989 V990 D991 | S941-S987 WeakPolarHBondContact OG-CB 3.44Å; S941-S987 PolarHBondContact OG-OG 3.27Å; S983-S987 WeakPolarHBondContact O-CB 3.24Å; S983-S987 PolarHBondContact O-N 3.09Å; L984-S987 PolarHBondContact O-N 2.68Å; L984-S987 PolarHBondContact O-OG 3.05Å; L984-S987 VanDerWaalsContact O-OG 3.08Å; S987-S989 PolarHBondContact O-N 3.26Å; S987-V990 PolarHBondContact O-N 2.87Å; S987-D991 WeakPolarHBondContact O-CB 3.5Å; S987-D991 PolarHBondContact O-N 3.08Å |
| 988 | V | 72.8 | Confident | 70.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 177.9 | 166.2 | 0 | 0 | 0 | 0 | 112.6 | L944 P950 I951 I954 L984 D991 H992 | L944-V988 HydrophobicContact CB-CG2 4.37Å; L944-V988 HydrophobicContact CD1-CG2 3.91Å; P950-V988 HydrophobicContact CB-CG1 3.9Å; P950-V988 HydrophobicContact CB-CG2 4.26Å; P950-V988 HydrophobicContact CG-CG1 3.68Å; I951-V988 HydrophobicContact CG1-CG1 3.98Å; I954-V988 HydrophobicContact CD1-CG2 3.86Å; L984-V988 WeakPolarHBondContact O-CB 3.36Å; L984-V988 WeakPolarHBondContact O-CG2 3.32Å; L984-V988 PolarHBondContact O-N 2.87Å; V988-D991 PolarHBondContact O-N 3.11Å; V988-H992 WeakPolarHBondContact O-CB 3.46Å; V988-H992 PolarHBondContact O-N 3.36Å; V988-H992 PolarHBondContact O-ND1 3.34Å |
| 989 | S | 71.7 | Confident | 70.8 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 8% | 0.077 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -52.4 | 177.3 | 173 | 0 | 0 | 0 | 0 | 112 | C985 H986 S987 D991 Q993 I994 M996 | C985-S989 WeakPolarHBondContact O-CB 3.4Å; C985-S989 PolarHBondContact O-N 3.31Å; H986-S989 PolarHBondContact O-N 3.27Å; S987-S989 PolarHBondContact O-N 3.26Å; S989-D991 VanDerWaalsContact C-N 3.35Å; S989-D991 PolarHBondContact O-N 2.87Å; S989-Q993 PolarHBondContact O-N 3.35Å; S989-I994 WeakPolarHBondContact CA-O 3.48Å; S989-I994 WeakPolarHBondContact CB-O 3.23Å; S989-I994 PolarHBondContact O-N 2.98Å; S989-I994 VanDerWaalsContact O-N 3.15Å; S989-I994 PolarHBondContact OG-O 2.64Å; S989-M996 VanDerWaalsContact CB-SD 3.51Å; S989-M996 WeakPolarHBondContact OG-CG 3.37Å |
| 990 | V | 69.2 | Low | 70.8 | Confident | 114 Ų | 114 | 44.7 Ų | 44.7 | 69% | 0.691 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.1 | -41.5 | 179 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | H986 S987 | H986-V990 WeakPolarHBondContact O-CG2 3.24Å; H986-V990 PolarHBondContact O-N 2.99Å; H986-V990 VanDerWaalsContact O-N 3.11Å; S987-V990 PolarHBondContact O-N 2.87Å |
| 991 | D | 62.7 | Low | 70.7 | Confident | 56 Ų | 56 | 47.8 Ų | 47.8 | 30% | 0.299 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -74.3 | -27.3 | -174.6 | -90.3 | -42.6 | 0 | 0 | 0 | 114.7 | S941 K945 S987 V988 S989 | S941-D991 WeakPolarHBondContact CB-OD2 3.33Å; S941-D991 PolarHBondContact OG-OD2 2.94Å; K945-D991 WeakPolarHBondContact CE-OD1 3.45Å; K945-D991 VanDerWaalsContact NZ-CG 3.29Å; K945-D991 IonicContact NZ-OD1 3.55Å; K945-D991 PolarHBondContact NZ-OD1 2.67Å; K945-D991 IonicContact NZ-OD2 3.62Å; S987-D991 WeakPolarHBondContact O-CB 3.5Å; S987-D991 PolarHBondContact O-N 3.08Å; V988-D991 PolarHBondContact O-N 3.11Å; S989-D991 VanDerWaalsContact C-N 3.35Å; S989-D991 PolarHBondContact O-N 2.87Å |
| 992 | H | 59.7 | Low | 70.6 | Confident | 52 Ų | 52 | 49.8 Ų | 49.8 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -106.4 | -0.3 | -177.6 | -63.7 | 69.5 | 0 | 0 | 0 | 113.2 | K945 V988 I994 | K945-H992 WeakPolarHBondContact CA-NE2 3.45Å; V988-H992 WeakPolarHBondContact O-CB 3.46Å; V988-H992 PolarHBondContact O-N 3.36Å; V988-H992 PolarHBondContact O-ND1 3.34Å; H992-I994 HydrophobicContact CB-CB 4.39Å; H992-I994 HydrophobicContact CB-CD1 3.56Å; H992-I994 HydrophobicContact CB-CG1 3.65Å; H992-I994 PolarHBondContact O-N 3.25Å |
| 993 | Q | 61.1 | Low | 70.8 | Confident | 187 Ų | 187 | 49 Ų | 49 | 87% | 0.874 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 27.9 | -168.8 | -55 | -179.6 | -7.4 | 0 | 0 | 112.9 | S989 | S989-Q993 PolarHBondContact O-N 3.35Š|
| 994 | I | 58.6 | Low | 70.8 | Confident | 39 Ų | 39 | 47 Ų | 47 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | trans | -83.7 | 121.3 | 175.9 | -67.7 | 169.8 | 0 | 0 | 0 | 107.8 | I951 S989 H992 M996 H998 | I951-I994 HydrophobicContact CD1-CD1 4.29Å; I951-I994 HydrophobicContact CD1-CG2 4.18Å; S989-I994 WeakPolarHBondContact CA-O 3.48Å; S989-I994 WeakPolarHBondContact CB-O 3.23Å; S989-I994 PolarHBondContact O-N 2.98Å; S989-I994 VanDerWaalsContact O-N 3.15Å; S989-I994 PolarHBondContact OG-O 2.64Å; H992-I994 HydrophobicContact CB-CB 4.39Å; H992-I994 HydrophobicContact CB-CD1 3.56Å; H992-I994 HydrophobicContact CB-CG1 3.65Å; H992-I994 PolarHBondContact O-N 3.25Å; I994-M996 PolarHBondContact O-N 2.97Å; I994-H998 HydrophobicContact CG2-CB 3.88Å; I994-H998 WeakPolarHBondContact CG2-ND1 3.13Å | ||
| 995 | D | 67.7 | Low | 71 | Confident | 126 Ų | 126 | 52.7 Ų | 52.7 | 67% | 0.674 | 27% | 0.267 | S | S | * | . | trans | -50.3 | 131.9 | 172.7 | -80.5 | -35.7 | 0 | 0 | 0 | 111.3 | L997 H998 C999 | D995-L997 HydrophobicContact CB-CB 4.4Å; D995-L997 PolarHBondContact O-N 3.16Å; D995-H998 WeakPolarHBondContact O-CB 3.45Å; D995-H998 PolarHBondContact O-N 2.88Å; D995-C999 PolarHBondContact O-N 2.8Å | ||
| 996 | M | 68.9 | Low | 71.2 | Confident | 27 Ų | 27 | 54 Ų | 54 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -53.4 | -27.4 | 174.4 | -83.1 | -66.6 | -65.7 | 0 | 0 | 112.5 | H986 S989 I994 H998 C999 Y1000 L1030 | H986-M996 WeakPolarHBondContact NE2-CE 3.45Å; S989-M996 VanDerWaalsContact CB-SD 3.51Å; S989-M996 WeakPolarHBondContact OG-CG 3.37Å; I994-M996 PolarHBondContact O-N 2.97Å; M996-H998 VanDerWaalsContact C-N 3.32Å; M996-H998 PolarHBondContact O-N 2.83Å; M996-C999 WeakPolarHBondContact O-CB 3.35Å; M996-C999 PolarHBondContact O-N 3.3Å; M996-Y1000 HydrophobicContact CB-CE2 4.41Å; M996-Y1000 HydrophobicContact CE-CD1 4.33Å; M996-Y1000 HydrophobicContact CE-CE1 3.47Å; M996-Y1000 VanDerWaalsContact CE-CE1 3.47Å; M996-Y1000 WeakPolarHBondContact O-CD2 3.27Å; M996-Y1000 PolarHBondContact O-N 3.15Å; M996-L1030 HydrophobicContact CE-CD1 4Å |
| 997 | L | 68.3 | Low | 71.4 | Confident | 84 Ų | 84 | 51.6 Ų | 51.6 | 44% | 0.44 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 172.9 | -176.2 | 62.7 | 0 | 0 | 0 | 112.9 | D995 Y1000 Q1001 | D995-L997 HydrophobicContact CB-CB 4.4Å; D995-L997 PolarHBondContact O-N 3.16Å; L997-Y1000 WeakPolarHBondContact O-CB 3.5Å; L997-Y1000 PolarHBondContact O-N 3.16Å; L997-Q1001 WeakPolarHBondContact O-CB 3.16Å; L997-Q1001 VanDerWaalsContact O-CG 3.26Å; L997-Q1001 WeakPolarHBondContact O-CG 3.43Å; L997-Q1001 PolarHBondContact O-N 2.76Å |
| 998 | H | 72.5 | Confident | 71.6 | Confident | 71 Ų | 71 | 52 Ų | 52 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.7 | -38.7 | 176.1 | 178.1 | -108 | 0 | 0 | 0 | 111.4 | I994 D995 M996 Y1000 Q1001 Q1002 | I994-H998 HydrophobicContact CG2-CB 3.88Å; I994-H998 WeakPolarHBondContact CG2-ND1 3.13Å; D995-H998 WeakPolarHBondContact O-CB 3.45Å; D995-H998 PolarHBondContact O-N 2.88Å; M996-H998 VanDerWaalsContact C-N 3.32Å; M996-H998 PolarHBondContact O-N 2.83Å; H998-Y1000 VanDerWaalsContact C-N 3.29Å; H998-Y1000 PolarHBondContact O-N 3.04Å; H998-Q1001 PolarHBondContact O-N 3.01Å; H998-Q1002 PolarHBondContact CE1-NE2 2.88Å; H998-Q1002 PolarHBondContact NE2-NE2 3.19Å; H998-Q1002 PolarHBondContact O-N 2.93Å |
| 999 | C | 73.2 | Confident | 71.7 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.9 | -42.6 | 170 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | I951 D995 M996 S1003 | I951-C999 HydrophobicContact CD1-CB 4.44Å; I951-C999 VanDerWaalsContact CD1-SG 3.58Å; D995-C999 PolarHBondContact O-N 2.8Å; M996-C999 WeakPolarHBondContact O-CB 3.35Å; M996-C999 PolarHBondContact O-N 3.3Å; C999-S1003 WeakPolarHBondContact O-CB 3.49Å; C999-S1003 PolarHBondContact O-N 2.98Å; C999-S1003 VanDerWaalsContact O-N 3.12Å; C999-S1003 PolarHBondContact O-OG 2.85Å |
| 1000 | Y | 73.5 | Confident | 71.9 | Confident | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -50.5 | 174.9 | -60.6 | -28.2 | 0 | 0 | 0 | 112 | M996 L997 H998 Q1002 S1003 T1004 L1030 L1031 Q1039 | M996-Y1000 HydrophobicContact CB-CE2 4.41Å; M996-Y1000 HydrophobicContact CE-CD1 4.33Å; M996-Y1000 HydrophobicContact CE-CE1 3.47Å; M996-Y1000 VanDerWaalsContact CE-CE1 3.47Å; M996-Y1000 WeakPolarHBondContact O-CD2 3.27Å; M996-Y1000 PolarHBondContact O-N 3.15Å; L997-Y1000 WeakPolarHBondContact O-CB 3.5Å; L997-Y1000 PolarHBondContact O-N 3.16Å; H998-Y1000 VanDerWaalsContact C-N 3.29Å; H998-Y1000 PolarHBondContact O-N 3.04Å; Y1000-Q1002 PolarHBondContact O-N 3.44Å; Y1000-S1003 PolarHBondContact O-N 3.4Å; Y1000-T1004 WeakPolarHBondContact O-CG2 3.36Å; Y1000-T1004 PolarHBondContact O-N 3.2Å; Y1000-T1004 PolarHBondContact O-OG1 3.15Å; Y1000-L1030 HydrophobicContact CD1-CD2 4.12Å; Y1000-L1030 HydrophobicContact CD1-CG 3.92Å; Y1000-L1030 HydrophobicContact CE1-CD1 4.18Å; Y1000-L1030 HydrophobicContact CE1-CG 3.86Å; Y1000-L1031 HydrophobicContact CD1-CD2 3.52Å; Y1000-L1031 HydrophobicContact CD2-CD2 3.97Å; Y1000-L1031 HydrophobicContact CE1-CD2 3.98Å; Y1000-L1031 HydrophobicContact CE2-CD2 4.4Å; Y1000-L1031 HydrophobicContact CG-CD2 3.49Å; Y1000-L1031 VanDerWaalsContact CG-CD2 3.49Å; Y1000-Q1039 HydrophobicContact CE2-CG 4.3Å; Y1000-Q1039 VanDerWaalsContact CZ-OE1 3.25Å; Y1000-Q1039 PolarHBondContact OH-OE1 3.46Å |
| 1001 | Q | 73.9 | Confident | 72 | Confident | 89 Ų | 89 | 50.9 Ų | 50.9 | 42% | 0.416 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.5 | -52.7 | 179.4 | -75.7 | 168.9 | -4.1 | 0 | 0 | 112.2 | L997 H998 S1003 T1004 E1005 W1042 | L997-Q1001 WeakPolarHBondContact O-CB 3.16Å; L997-Q1001 VanDerWaalsContact O-CG 3.26Å; L997-Q1001 WeakPolarHBondContact O-CG 3.43Å; L997-Q1001 PolarHBondContact O-N 2.76Å; H998-Q1001 PolarHBondContact O-N 3.01Å; Q1001-S1003 VanDerWaalsContact C-N 3.3Å; Q1001-S1003 PolarHBondContact O-N 3.45Å; Q1001-T1004 PolarHBondContact O-N 2.89Å; Q1001-T1004 PolarHBondContact O-OG1 3.37Å; Q1001-E1005 WeakPolarHBondContact O-CB 3.36Å; Q1001-E1005 PolarHBondContact O-N 3.38Å; Q1001-W1042 HydrophobicContact CG-CZ2 4.04Å |
| 1002 | Q | 78.1 | Confident | 72.3 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 20% | 0.201 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 178.6 | -69.8 | -160.9 | -8.9 | 0 | 0 | 112.3 | I951 L955 H998 Y1000 W1006 | I951-Q1002 HydrophobicContact CG2-CB 3.97Å; L955-Q1002 HydrophobicContact CD1-CB 4.41Å; H998-Q1002 PolarHBondContact CE1-NE2 2.88Å; H998-Q1002 PolarHBondContact NE2-NE2 3.19Å; H998-Q1002 PolarHBondContact O-N 2.93Å; Y1000-Q1002 PolarHBondContact O-N 3.44Å; Q1002-W1006 VanDerWaalsContact O-CB 3.22Å; Q1002-W1006 WeakPolarHBondContact O-CB 3.48Å; Q1002-W1006 PolarHBondContact O-N 2.86Å |
| 1003 | S | 78.6 | Confident | 72.8 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.9 | -36.5 | 178.7 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | C999 Y1000 Q1001 L1007 I1027 | C999-S1003 WeakPolarHBondContact O-CB 3.49Å; C999-S1003 PolarHBondContact O-N 2.98Å; C999-S1003 VanDerWaalsContact O-N 3.12Å; C999-S1003 PolarHBondContact O-OG 2.85Å; Y1000-S1003 PolarHBondContact O-N 3.4Å; Q1001-S1003 VanDerWaalsContact C-N 3.3Å; Q1001-S1003 PolarHBondContact O-N 3.45Å; S1003-L1007 PolarHBondContact O-N 3.3Å; S1003-L1007 VanDerWaalsContact O-N 3.07Å; S1003-I1027 WeakPolarHBondContact O-CD1 3.26Å |
| 1004 | T | 76.6 | Confident | 73.3 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -76.5 | -38.8 | 176.7 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | Y1000 Q1001 W1006 L1007 L1008 I1027 L1031 W1042 F1046 | Y1000-T1004 WeakPolarHBondContact O-CG2 3.36Å; Y1000-T1004 PolarHBondContact O-N 3.2Å; Y1000-T1004 PolarHBondContact O-OG1 3.15Å; Q1001-T1004 PolarHBondContact O-N 2.89Å; Q1001-T1004 PolarHBondContact O-OG1 3.37Å; T1004-W1006 VanDerWaalsContact C-N 3.34Å; T1004-L1007 PolarHBondContact O-N 2.67Å; T1004-L1008 WeakPolarHBondContact O-CG 3.36Å; T1004-L1008 PolarHBondContact O-N 3.1Å; T1004-I1027 HydrophobicContact CG2-CG2 4.17Å; T1004-L1031 HydrophobicContact CG2-CD1 4.42Å; T1004-W1042 HydrophobicContact CG2-CH2 3.49Å; T1004-W1042 VanDerWaalsContact CG2-CH2 3.49Å; T1004-W1042 HydrophobicContact CG2-CZ3 3.73Å; T1004-W1042 WeakPolarHBondContact OG1-CH2 3.39Å; T1004-F1046 HydrophobicContact CG2-CD1 3.66Å; T1004-F1046 HydrophobicContact CG2-CD2 3.63Å; T1004-F1046 HydrophobicContact CG2-CE1 3.58Å; T1004-F1046 HydrophobicContact CG2-CE2 3.58Å; T1004-F1046 HydrophobicContact CG2-CG 3.67Å; T1004-F1046 HydrophobicContact CG2-CZ 3.54Å |
| 1005 | E | 78.7 | Confident | 73.6 | Confident | 118 Ų | 118 | 50.2 Ų | 50.2 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | 170.2 | -176.9 | 178.7 | -178 | 0 | 0 | 111.1 | Q1001 L1007 L1008 N1009 | Q1001-E1005 WeakPolarHBondContact O-CB 3.36Å; Q1001-E1005 PolarHBondContact O-N 3.38Å; E1005-L1007 VanDerWaalsContact C-N 3.31Å; E1005-L1007 PolarHBondContact O-N 3.07Å; E1005-L1008 PolarHBondContact O-N 3.15Å; E1005-N1009 WeakPolarHBondContact CG-ND2 3.46Å; E1005-N1009 WeakPolarHBondContact O-CB 3.27Å; E1005-N1009 PolarHBondContact O-N 3.1Å; E1005-N1009 PolarHBondContact O-ND2 3.48Å |
| 1006 | W | 82.9 | Confident | 73.6 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 11% | 0.106 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.8 | -41 | 172.6 | 169.8 | 90.9 | 0 | 0 | 0 | 112.2 | L955 L958 N959 L962 Q1002 T1004 N1009 T1010 F1014 A1023 I1027 | L955-W1006 HydrophobicContact CB-CB 4.43Å; L955-W1006 HydrophobicContact CB-CD2 4.28Å; L955-W1006 HydrophobicContact CB-CG 3.87Å; L955-W1006 HydrophobicContact CD1-CB 3.83Å; L955-W1006 HydrophobicContact CD1-CG 4.17Å; L955-W1006 HydrophobicContact CD2-CB 4.19Å; L955-W1006 HydrophobicContact CD2-CD2 3.81Å; L955-W1006 HydrophobicContact CD2-CE3 3.95Å; L955-W1006 HydrophobicContact CD2-CG 3.91Å; L955-W1006 HydrophobicContact CG-CB 4.38Å; L955-W1006 HydrophobicContact CG-CG 4.2Å; L955-W1006 PolarHBondContact O-NE1 3.11Å; L955-W1006 VanDerWaalsContact O-NE1 3.08Å; L958-W1006 HydrophobicContact CB-CH2 4.5Å; L958-W1006 HydrophobicContact CB-CZ2 4.32Å; L958-W1006 HydrophobicContact CD2-CH2 3.46Å; L958-W1006 VanDerWaalsContact CD2-CH2 3.46Å; L958-W1006 HydrophobicContact CD2-CZ2 4.06Å; L958-W1006 HydrophobicContact CD2-CZ3 3.78Å; L958-W1006 HydrophobicContact CG-CH2 3.81Å; L958-W1006 HydrophobicContact CG-CZ2 4.1Å; N959-W1006 HydrophobicContact CB-CZ2 4.06Å; L962-W1006 HydrophobicContact CD1-CH2 3.92Å; L962-W1006 HydrophobicContact CD1-CZ2 4.45Å; Q1002-W1006 VanDerWaalsContact O-CB 3.22Å; Q1002-W1006 WeakPolarHBondContact O-CB 3.48Å; Q1002-W1006 PolarHBondContact O-N 2.86Å; T1004-W1006 VanDerWaalsContact C-N 3.34Å; W1006-N1009 PolarHBondContact O-N 2.86Å; W1006-T1010 HydrophobicContact CZ2-CG2 3.91Å; W1006-T1010 PolarHBondContact NE1-OG1 2.81Å; W1006-T1010 WeakPolarHBondContact O-CA 3.28Å; W1006-T1010 WeakPolarHBondContact O-CB 3.06Å; W1006-T1010 PolarHBondContact O-N 2.85Å; W1006-T1010 PolarHBondContact O-OG1 3.16Å; W1006-F1014 HydrophobicContact CH2-CZ 4.18Å; W1006-A1023 HydrophobicContact CH2-CB 4.36Å; W1006-A1023 HydrophobicContact CZ3-CB 4.44Å; W1006-I1027 HydrophobicContact CE3-CD1 4.25Å; W1006-I1027 HydrophobicContact CZ3-CD1 4.33Å; W1006-I1027 HydrophobicContact CZ3-CG1 4.39Å |
| 1007 | L | 80 | Confident | 73.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -47.8 | 177.8 | -170.8 | 67.8 | 0 | 0 | 0 | 110.7 | S1003 T1004 E1005 N1009 T1010 C1011 F1014 A1023 I1027 F1046 Y1050 | S1003-L1007 PolarHBondContact O-N 3.3Å; S1003-L1007 VanDerWaalsContact O-N 3.07Å; T1004-L1007 PolarHBondContact O-N 2.67Å; E1005-L1007 VanDerWaalsContact C-N 3.31Å; E1005-L1007 PolarHBondContact O-N 3.07Å; L1007-N1009 VanDerWaalsContact C-N 3.31Å; L1007-N1009 PolarHBondContact O-N 3.4Å; L1007-T1010 PolarHBondContact O-N 2.68Å; L1007-C1011 VanDerWaalsContact O-CB 3.29Å; L1007-C1011 WeakPolarHBondContact O-CB 3.42Å; L1007-C1011 PolarHBondContact O-N 3.09Å; L1007-C1011 PolarHBondContact O-SG 3.1Å; L1007-F1014 HydrophobicContact CD1-CE2 4.33Å; L1007-A1023 HydrophobicContact CD1-CB 3.56Å; L1007-I1027 HydrophobicContact CB-CG1 4.42Å; L1007-I1027 HydrophobicContact CD1-CG1 4.46Å; L1007-I1027 HydrophobicContact CD2-CB 4.38Å; L1007-I1027 HydrophobicContact CD2-CG1 4.25Å; L1007-I1027 HydrophobicContact CD2-CG2 4.39Å; L1007-F1046 HydrophobicContact CD2-CE1 4.5Å; L1007-F1046 HydrophobicContact CD2-CZ 4.02Å; L1007-Y1050 HydrophobicContact CD2-CD2 4.11Å; L1007-Y1050 HydrophobicContact CD2-CE1 4.29Å; L1007-Y1050 HydrophobicContact CD2-CE2 3.7Å; L1007-Y1050 HydrophobicContact CG-CD2 4.43Å; L1007-Y1050 HydrophobicContact CG-CE2 3.85Å |
| 1008 | L | 74.9 | Confident | 73.3 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.9 | -43.4 | 176.7 | -69.8 | 163.8 | 0 | 0 | 0 | 112.1 | T1004 E1005 F1046 Y1050 H1053 | T1004-L1008 WeakPolarHBondContact O-CG 3.36Å; T1004-L1008 PolarHBondContact O-N 3.1Å; E1005-L1008 PolarHBondContact O-N 3.15Å; L1008-F1046 HydrophobicContact CD1-CE2 4.3Å; L1008-F1046 HydrophobicContact CG-CE2 4.25Å; L1008-Y1050 HydrophobicContact CD2-CD2 4.03Å; L1008-H1053 WeakPolarHBondContact CA-NE2 3.34Å; L1008-H1053 HydrophobicContact CD2-CB 3.7Å; L1008-H1053 VanDerWaalsContact CD2-CD2 3.43Å; L1008-H1053 WeakPolarHBondContact CD2-CD2 3.38Å; L1008-H1053 PolarHBondContact O-NE2 2.82Å |
| 1009 | N | 75.3 | Confident | 73.2 | Confident | 88 Ų | 88 | 44.3 Ų | 44.3 | 47% | 0.471 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -76.9 | -36.4 | -179.7 | -73.9 | -31 | 0 | 0 | 0 | 113 | E1005 W1006 L1007 | E1005-N1009 WeakPolarHBondContact CG-ND2 3.46Å; E1005-N1009 WeakPolarHBondContact O-CB 3.27Å; E1005-N1009 PolarHBondContact O-N 3.1Å; E1005-N1009 PolarHBondContact O-ND2 3.48Å; W1006-N1009 PolarHBondContact O-N 2.86Å; L1007-N1009 VanDerWaalsContact C-N 3.31Å; L1007-N1009 PolarHBondContact O-N 3.4Å |
| 1010 | T | 74.6 | Confident | 73.2 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -86 | -25 | -173.5 | -55.4 | 0 | 0 | 0 | 0 | 113.1 | N959 W1006 L1007 N1012 K1013 F1014 | N959-T1010 HydrophobicContact CB-CG2 4.43Å; N959-T1010 VanDerWaalsContact OD1-CG2 3.24Å; N959-T1010 WeakPolarHBondContact OD1-CG2 3.26Å; W1006-T1010 HydrophobicContact CZ2-CG2 3.91Å; W1006-T1010 PolarHBondContact NE1-OG1 2.81Å; W1006-T1010 WeakPolarHBondContact O-CA 3.28Å; W1006-T1010 WeakPolarHBondContact O-CB 3.06Å; W1006-T1010 PolarHBondContact O-N 2.85Å; W1006-T1010 PolarHBondContact O-OG1 3.16Å; L1007-T1010 PolarHBondContact O-N 2.68Å; T1010-N1012 PolarHBondContact O-N 2.79Å; T1010-K1013 HydrophobicContact CG2-CD 4.41Å; T1010-K1013 WeakPolarHBondContact O-CB 3.44Å; T1010-K1013 PolarHBondContact O-N 2.84Å; T1010-F1014 HydrophobicContact CG2-CE1 3.81Å; T1010-F1014 HydrophobicContact CG2-CE2 4.45Å; T1010-F1014 HydrophobicContact CG2-CZ 3.66Å |
| 1011 | C | 72.2 | Confident | 73 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.034 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -52.9 | -31 | 178 | -89.8 | 0 | 0 | 0 | 0 | 114.1 | L1007 K1013 F1014 Y1020 Y1050 | L1007-C1011 VanDerWaalsContact O-CB 3.29Å; L1007-C1011 WeakPolarHBondContact O-CB 3.42Å; L1007-C1011 PolarHBondContact O-N 3.09Å; L1007-C1011 PolarHBondContact O-SG 3.1Å; C1011-K1013 PolarHBondContact O-N 3.46Å; C1011-K1013 VanDerWaalsContact O-N 3.11Å; C1011-F1014 HydrophobicContact CB-CD2 4.49Å; C1011-F1014 PolarHBondContact O-N 3.31Å; C1011-Y1020 HydrophobicContact CB-CD1 4.44Å; C1011-Y1020 HydrophobicContact CB-CE1 3.77Å; C1011-Y1020 VanDerWaalsContact O-CZ 3.31Å; C1011-Y1020 PolarHBondContact O-OH 3.19Å; C1011-Y1050 PolarHBondContact SG-OH 3.22Å; C1011-Y1050 VanDerWaalsContact SG-OH 3.34Å |
| 1012 | N | 68.5 | Low | 72.8 | Confident | 91 Ų | 91 | 42.8 Ų | 42.8 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -65.1 | -11.4 | 175.5 | -68.9 | -72.5 | 0 | 0 | 0 | 115 | T1010 Q1057 | T1010-N1012 PolarHBondContact O-N 2.79Å; N1012-Q1057 PolarHBondContact ND2-OE1 3.21Å; N1012-Q1057 PolarHBondContact OD1-OE1 2.95Å; N1012-Q1057 VanDerWaalsContact OD1-OE1 3.12Å |
| 1013 | K | 70.2 | Confident | 72.6 | Confident | 127 Ų | 127 | 40.8 Ų | 40.8 | 55% | 0.552 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -99.3 | -15.4 | 179.9 | -56.3 | 177.9 | -172.6 | 167.9 | 0 | 113.3 | T1010 C1011 | T1010-K1013 HydrophobicContact CG2-CD 4.41Å; T1010-K1013 WeakPolarHBondContact O-CB 3.44Å; T1010-K1013 PolarHBondContact O-N 2.84Å; C1011-K1013 PolarHBondContact O-N 3.46Å; C1011-K1013 VanDerWaalsContact O-N 3.11Å |
| 1014 | F | 70.9 | Confident | 72.4 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 4% | 0.044 | 21% | 0.21 | C | C | . | . | trans | -78.9 | 126.9 | -178.8 | -59.7 | -34.5 | 0 | 0 | 0 | 110.5 | L962 W1006 L1007 T1010 C1011 Q1019 Y1020 A1023 | L962-F1014 HydrophobicContact CB-CE1 3.9Å; L962-F1014 HydrophobicContact CD1-CE1 3.9Å; L962-F1014 HydrophobicContact CD1-CZ 3.79Å; W1006-F1014 HydrophobicContact CH2-CZ 4.18Å; L1007-F1014 HydrophobicContact CD1-CE2 4.33Å; T1010-F1014 HydrophobicContact CG2-CE1 3.81Å; T1010-F1014 HydrophobicContact CG2-CE2 4.45Å; T1010-F1014 HydrophobicContact CG2-CZ 3.66Å; C1011-F1014 HydrophobicContact CB-CD2 4.49Å; C1011-F1014 PolarHBondContact O-N 3.31Å; F1014-Q1019 HydrophobicContact CB-CB 4Å; F1014-Q1019 HydrophobicContact CD1-CB 3.9Å; F1014-Q1019 HydrophobicContact CG-CB 3.93Å; F1014-Y1020 HydrophobicContact CB-CD2 3.57Å; F1014-Y1020 HydrophobicContact CB-CE1 4.43Å; F1014-Y1020 HydrophobicContact CB-CE2 3.37Å; F1014-Y1020 HydrophobicContact CB-CG 4.18Å; F1014-Y1020 AromaticContact CD2-CD1 3.93Å; F1014-Y1020 HydrophobicContact CD2-CD1 3.93Å; F1014-Y1020 HydrophobicContact CD2-CD2 4.25Å; F1014-Y1020 HydrophobicContact CD2-CE1 4.17Å; F1014-Y1020 HydrophobicContact CD2-CE2 4.46Å; F1014-Y1020 AromaticContact CD2-CG 4Å; F1014-Y1020 HydrophobicContact CD2-CG 4Å; F1014-Y1020 HydrophobicContact CG-CD2 4.38Å; F1014-Y1020 HydrophobicContact CG-CE2 4.44Å; F1014-Y1020 WeakPolarHBondContact O-CE2 3.43Å; F1014-A1023 HydrophobicContact CE2-CB 3.59Å; F1014-A1023 HydrophobicContact CZ-CB 3.8Å | ||
| 1015 | T | 66.4 | Low | 72.3 | Confident | 92 Ų | 92 | 41 Ų | 41 | 56% | 0.564 | 22% | 0.215 | S | C | * | . | trans | -97.6 | -18.7 | 179.6 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | Q1019 | T1015-Q1019 PolarHBondContact OG1-OE1 2.83Š| ||
| 1016 | E | 66.6 | Low | 72.1 | Confident | 72 Ų | 72 | 35.3 Ų | 35.3 | 34% | 0.336 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -125.6 | 144.5 | -175.1 | -73 | -167.4 | -113.7 | 0 | 0 | 114.2 | Y967 T1018 Q1019 Y1020 | Y967-E1016 WeakPolarHBondContact OH-CB 3.48Å; Y967-E1016 PolarHBondContact OH-OE1 2.99Å; Y967-E1016 PolarHBondContact OH-OE2 2.72Å; E1016-T1018 WeakPolarHBondContact CB-OG1 3.42Å; E1016-T1018 PolarHBondContact O-N 3.03Å; E1016-T1018 VanDerWaalsContact O-N 3.16Å; E1016-Q1019 HydrophobicContact CB-CG 4.37Å; E1016-Q1019 WeakPolarHBondContact O-CB 3.47Å; E1016-Q1019 PolarHBondContact O-N 3.47Å; E1016-Y1020 WeakPolarHBondContact O-CD2 3.46Å; E1016-Y1020 PolarHBondContact O-N 3.05Å |
| 1017 | I | 65.3 | Low | 71.8 | Confident | 46 Ų | 46 | 34 Ų | 34 | 24% | 0.236 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.4 | -33.9 | 177.2 | -63.7 | 138.7 | 0 | 0 | 0 | 112.2 | S1021 F1064 Y1067 L1068 | I1017-S1021 WeakPolarHBondContact O-CB 3.22Å; I1017-S1021 PolarHBondContact O-N 3.17Å; I1017-F1064 HydrophobicContact CG1-CE2 3.83Å; I1017-F1064 HydrophobicContact CG1-CZ 3.94Å; I1017-Y1067 HydrophobicContact CD1-CD1 3.7Å; I1017-Y1067 HydrophobicContact CD1-CE1 3.47Å; I1017-Y1067 VanDerWaalsContact CD1-CE1 3.47Å; I1017-Y1067 HydrophobicContact CG1-CD1 4.07Å; I1017-Y1067 HydrophobicContact CG1-CE1 4.22Å; I1017-L1068 HydrophobicContact CG2-CD1 4.03Å |
| 1018 | T | 66.5 | Low | 71.6 | Confident | 57 Ų | 57 | 34.1 Ų | 34.1 | 35% | 0.35 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.8 | -51.2 | 175 | 41.9 | 0 | 0 | 0 | 0 | 111.5 | Y967 E1016 Y1020 S1021 I1022 | Y967-T1018 PolarHBondContact OH-OG1 3.4Å; E1016-T1018 WeakPolarHBondContact CB-OG1 3.42Å; E1016-T1018 PolarHBondContact O-N 3.03Å; E1016-T1018 VanDerWaalsContact O-N 3.16Å; T1018-Y1020 PolarHBondContact O-N 3.15Å; T1018-S1021 PolarHBondContact O-N 3.1Å; T1018-S1021 VanDerWaalsContact O-N 3.16Å; T1018-I1022 VanDerWaalsContact O-CD1 3.24Å; T1018-I1022 WeakPolarHBondContact O-CD1 3.49Å; T1018-I1022 WeakPolarHBondContact O-CG1 3.4Å; T1018-I1022 PolarHBondContact O-N 3.48Å |
| 1019 | Q | 70.6 | Confident | 71.7 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56 | -49.3 | 177.8 | -63.5 | 166.6 | -35.2 | 0 | 0 | 111.3 | L962 Y967 F1014 T1015 E1016 I1022 A1023 | L962-Q1019 WeakPolarHBondContact O-CG 3.39Å; L962-Q1019 PolarHBondContact O-NE2 2.88Å; Y967-Q1019 HydrophobicContact CD2-CG 4.42Å; Y967-Q1019 HydrophobicContact CE1-CG 4.27Å; Y967-Q1019 HydrophobicContact CE2-CG 3.66Å; F1014-Q1019 HydrophobicContact CB-CB 4Å; F1014-Q1019 HydrophobicContact CD1-CB 3.9Å; F1014-Q1019 HydrophobicContact CG-CB 3.93Å; T1015-Q1019 PolarHBondContact OG1-OE1 2.83Å; E1016-Q1019 HydrophobicContact CB-CG 4.37Å; E1016-Q1019 WeakPolarHBondContact O-CB 3.47Å; E1016-Q1019 PolarHBondContact O-N 3.47Å; Q1019-I1022 PolarHBondContact O-N 2.85Å; Q1019-A1023 WeakPolarHBondContact O-CB 3.48Å; Q1019-A1023 PolarHBondContact O-N 3.27Å |
| 1020 | Y | 72.9 | Confident | 71.7 | Confident | 13 Ų | 13 | 32.8 Ų | 32.8 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 175.4 | -77.7 | -91.4 | 0 | 0 | 0 | 112.6 | C1011 F1014 E1016 T1018 I1022 A1023 C1024 L1054 F1064 L1068 | C1011-Y1020 HydrophobicContact CB-CD1 4.44Å; C1011-Y1020 HydrophobicContact CB-CE1 3.77Å; C1011-Y1020 VanDerWaalsContact O-CZ 3.31Å; C1011-Y1020 PolarHBondContact O-OH 3.19Å; F1014-Y1020 HydrophobicContact CB-CD2 3.57Å; F1014-Y1020 HydrophobicContact CB-CE1 4.43Å; F1014-Y1020 HydrophobicContact CB-CE2 3.37Å; F1014-Y1020 HydrophobicContact CB-CG 4.18Å; F1014-Y1020 AromaticContact CD2-CD1 3.93Å; F1014-Y1020 HydrophobicContact CD2-CD1 3.93Å; F1014-Y1020 HydrophobicContact CD2-CD2 4.25Å; F1014-Y1020 HydrophobicContact CD2-CE1 4.17Å; F1014-Y1020 HydrophobicContact CD2-CE2 4.46Å; F1014-Y1020 AromaticContact CD2-CG 4Å; F1014-Y1020 HydrophobicContact CD2-CG 4Å; F1014-Y1020 HydrophobicContact CG-CD2 4.38Å; F1014-Y1020 HydrophobicContact CG-CE2 4.44Å; F1014-Y1020 WeakPolarHBondContact O-CE2 3.43Å; E1016-Y1020 WeakPolarHBondContact O-CD2 3.46Å; E1016-Y1020 PolarHBondContact O-N 3.05Å; T1018-Y1020 PolarHBondContact O-N 3.15Å; Y1020-I1022 VanDerWaalsContact C-N 3.28Å; Y1020-I1022 PolarHBondContact O-N 3.32Å; Y1020-A1023 PolarHBondContact O-N 3.19Å; Y1020-C1024 VanDerWaalsContact O-CB 3.26Å; Y1020-C1024 WeakPolarHBondContact O-CB 3.11Å; Y1020-C1024 PolarHBondContact O-N 3.07Å; Y1020-C1024 PolarHBondContact O-SG 3.47Å; Y1020-L1054 HydrophobicContact CD1-CD1 4.35Å; Y1020-L1054 HydrophobicContact CE1-CD1 3.71Å; Y1020-F1064 AromaticContact CD2-CE1 3.66Å; Y1020-F1064 HydrophobicContact CD2-CE1 3.66Å; Y1020-F1064 AromaticContact CD2-CZ 3.64Å; Y1020-F1064 HydrophobicContact CD2-CZ 3.64Å; Y1020-F1064 HydrophobicContact CE2-CD1 4.43Å; Y1020-F1064 AromaticContact CE2-CE1 3.28Å; Y1020-F1064 HydrophobicContact CE2-CE1 3.28Å; Y1020-F1064 AromaticContact CE2-CZ 3.44Å; Y1020-F1064 HydrophobicContact CE2-CZ 3.44Å; Y1020-F1064 VanDerWaalsContact CE2-CZ 3.44Å; Y1020-F1064 HydrophobicContact CG-CE1 4.43Å; Y1020-F1064 AromaticContact CZ-CE1 3.76Å; Y1020-L1068 HydrophobicContact CD1-CD2 3.46Å; Y1020-L1068 VanDerWaalsContact CD1-CD2 3.46Å; Y1020-L1068 HydrophobicContact CD2-CD2 4.1Å; Y1020-L1068 HydrophobicContact CE1-CD2 4.06Å; Y1020-L1068 HydrophobicContact CG-CD1 4.45Å; Y1020-L1068 HydrophobicContact CG-CD2 3.47Å; Y1020-L1068 VanDerWaalsContact CG-CD2 3.47Å |
| 1021 | S | 68.5 | Low | 71.6 | Confident | 32 Ų | 32 | 32.7 Ų | 32.7 | 22% | 0.224 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -38 | -179.4 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | I1017 T1018 G1025 N1075 | I1017-S1021 WeakPolarHBondContact O-CB 3.22Å; I1017-S1021 PolarHBondContact O-N 3.17Å; T1018-S1021 PolarHBondContact O-N 3.1Å; T1018-S1021 VanDerWaalsContact O-N 3.16Å; S1021-G1025 PolarHBondContact O-N 3.3Å; S1021-N1075 PolarHBondContact O-ND2 2.9Å; S1021-N1075 PolarHBondContact OG-ND2 3Å |
| 1022 | I | 69.8 | Low | 71.7 | Confident | 19 Ų | 19 | 33.1 Ų | 33.1 | 10% | 0.097 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.9 | -51.7 | 176.3 | -58.6 | 153.4 | 0 | 0 | 0 | 109.9 | L962 Y967 L974 M977 T1018 Q1019 Y1020 C1024 G1025 V1026 | L962-I1022 HydrophobicContact CD2-CB 3.9Å; L962-I1022 HydrophobicContact CD2-CD1 4.14Å; L962-I1022 HydrophobicContact CD2-CG2 3.81Å; Y967-I1022 HydrophobicContact CD2-CD1 4.32Å; Y967-I1022 HydrophobicContact CE2-CD1 4.45Å; L974-I1022 HydrophobicContact CD1-CD1 4.49Å; L974-I1022 HydrophobicContact CD2-CD1 3.46Å; L974-I1022 VanDerWaalsContact CD2-CD1 3.46Å; L974-I1022 HydrophobicContact CD2-CG1 3.67Å; L974-I1022 HydrophobicContact CG-CD1 3.95Å; L974-I1022 HydrophobicContact CG-CG1 4.05Å; L974-I1022 HydrophobicContact CG-CG2 4.39Å; M977-I1022 HydrophobicContact CE-CG2 3.42Å; M977-I1022 VanDerWaalsContact CE-CG2 3.42Å; T1018-I1022 VanDerWaalsContact O-CD1 3.24Å; T1018-I1022 WeakPolarHBondContact O-CD1 3.49Å; T1018-I1022 WeakPolarHBondContact O-CG1 3.4Å; T1018-I1022 PolarHBondContact O-N 3.48Å; Q1019-I1022 PolarHBondContact O-N 2.85Å; Y1020-I1022 VanDerWaalsContact C-N 3.28Å; Y1020-I1022 PolarHBondContact O-N 3.32Å; I1022-C1024 VanDerWaalsContact C-N 3.33Å; I1022-C1024 PolarHBondContact O-N 3.34Å; I1022-G1025 WeakPolarHBondContact O-CA 3.28Å; I1022-G1025 PolarHBondContact O-N 2.89Å; I1022-V1026 HydrophobicContact CG2-CG2 4.17Å; I1022-V1026 VanDerWaalsContact O-CG2 3.3Å; I1022-V1026 WeakPolarHBondContact O-CG2 3.46Å; I1022-V1026 PolarHBondContact O-N 2.82Å |
| 1023 | A | 74.5 | Confident | 71.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.9 | -44.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L962 W1006 L1007 F1014 Q1019 Y1020 I1027 | L962-A1023 HydrophobicContact CD1-CB 3.9Å; W1006-A1023 HydrophobicContact CH2-CB 4.36Å; W1006-A1023 HydrophobicContact CZ3-CB 4.44Å; L1007-A1023 HydrophobicContact CD1-CB 3.56Å; F1014-A1023 HydrophobicContact CE2-CB 3.59Å; F1014-A1023 HydrophobicContact CZ-CB 3.8Å; Q1019-A1023 WeakPolarHBondContact O-CB 3.48Å; Q1019-A1023 PolarHBondContact O-N 3.27Å; Y1020-A1023 PolarHBondContact O-N 3.19Å; A1023-I1027 WeakPolarHBondContact O-CB 3.49Å; A1023-I1027 WeakPolarHBondContact O-CG1 3.37Å; A1023-I1027 PolarHBondContact O-N 3.46Å; A1023-I1027 VanDerWaalsContact O-N 3.16Å |
| 1024 | C | 74.8 | Confident | 71.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.8 | -48.6 | 170.4 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | Y1020 I1022 V1026 I1027 F1028 Y1050 | Y1020-C1024 VanDerWaalsContact O-CB 3.26Å; Y1020-C1024 WeakPolarHBondContact O-CB 3.11Å; Y1020-C1024 PolarHBondContact O-N 3.07Å; Y1020-C1024 PolarHBondContact O-SG 3.47Å; I1022-C1024 VanDerWaalsContact C-N 3.33Å; I1022-C1024 PolarHBondContact O-N 3.34Å; C1024-V1026 PolarHBondContact O-N 3.47Å; C1024-I1027 PolarHBondContact O-N 2.8Å; C1024-F1028 HydrophobicContact CB-CD2 4.11Å; C1024-F1028 HydrophobicContact CB-CE2 4.04Å; C1024-F1028 WeakPolarHBondContact O-CB 3.46Å; C1024-F1028 WeakPolarHBondContact O-CD2 3.46Å; C1024-F1028 PolarHBondContact O-N 2.8Å; C1024-Y1050 PolarHBondContact SG-OH 2.83Å |
| 1025 | G | 73.1 | Confident | 71.1 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 16% | 0.155 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.5 | -50 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1021 I1022 I1027 K1029 | S1021-G1025 PolarHBondContact O-N 3.3Å; I1022-G1025 WeakPolarHBondContact O-CA 3.28Å; I1022-G1025 PolarHBondContact O-N 2.89Å; G1025-I1027 PolarHBondContact O-N 2.83Å; G1025-K1029 WeakPolarHBondContact O-CB 3.48Å; G1025-K1029 PolarHBondContact O-N 3.24Å |
| 1026 | V | 75.6 | Confident | 71.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.1 | -48.4 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | L958 M977 D978 F981 I1022 C1024 K1029 L1030 | L958-V1026 HydrophobicContact CD2-CG1 3.96Å; M977-V1026 HydrophobicContact CE-CG2 3.65Å; D978-V1026 WeakPolarHBondContact OD1-CG2 3.42Å; F981-V1026 HydrophobicContact CB-CG1 3.95Å; F981-V1026 HydrophobicContact CD1-CG1 3.19Å; F981-V1026 HydrophobicContact CD2-CG1 3.89Å; F981-V1026 HydrophobicContact CE1-CG1 3.48Å; F981-V1026 VanDerWaalsContact CE1-CG1 3.48Å; F981-V1026 HydrophobicContact CE2-CG1 4.15Å; F981-V1026 HydrophobicContact CG-CG1 3.4Å; F981-V1026 VanDerWaalsContact CG-CG1 3.4Å; F981-V1026 HydrophobicContact CZ-CG1 3.96Å; I1022-V1026 HydrophobicContact CG2-CG2 4.17Å; I1022-V1026 VanDerWaalsContact O-CG2 3.3Å; I1022-V1026 WeakPolarHBondContact O-CG2 3.46Å; I1022-V1026 PolarHBondContact O-N 2.82Å; C1024-V1026 PolarHBondContact O-N 3.47Å; V1026-K1029 PolarHBondContact O-N 2.9Å; V1026-L1030 PolarHBondContact O-N 3.1Å |
| 1027 | I | 77.6 | Confident | 70.7 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.3 | -46.7 | -177.5 | -63.9 | -70.7 | 0 | 0 | 0 | 111.4 | F981 S1003 T1004 W1006 L1007 A1023 C1024 G1025 K1029 L1030 L1031 F1046 | F981-I1027 HydrophobicContact CZ-CD1 4.49Å; S1003-I1027 WeakPolarHBondContact O-CD1 3.26Å; T1004-I1027 HydrophobicContact CG2-CG2 4.17Å; W1006-I1027 HydrophobicContact CE3-CD1 4.25Å; W1006-I1027 HydrophobicContact CZ3-CD1 4.33Å; W1006-I1027 HydrophobicContact CZ3-CG1 4.39Å; L1007-I1027 HydrophobicContact CB-CG1 4.42Å; L1007-I1027 HydrophobicContact CD1-CG1 4.46Å; L1007-I1027 HydrophobicContact CD2-CB 4.38Å; L1007-I1027 HydrophobicContact CD2-CG1 4.25Å; L1007-I1027 HydrophobicContact CD2-CG2 4.39Å; A1023-I1027 WeakPolarHBondContact O-CB 3.49Å; A1023-I1027 WeakPolarHBondContact O-CG1 3.37Å; A1023-I1027 PolarHBondContact O-N 3.46Å; A1023-I1027 VanDerWaalsContact O-N 3.16Å; C1024-I1027 PolarHBondContact O-N 2.8Å; G1025-I1027 PolarHBondContact O-N 2.83Å; I1027-K1029 PolarHBondContact O-N 2.93Å; I1027-L1030 WeakPolarHBondContact O-CB 3.27Å; I1027-L1030 PolarHBondContact O-N 2.95Å; I1027-L1031 HydrophobicContact CG2-CD1 4.19Å; I1027-L1031 WeakPolarHBondContact O-CG 3.47Å; I1027-L1031 PolarHBondContact O-N 3.04Å; I1027-F1046 HydrophobicContact CG2-CE1 4.09Å |
| 1028 | F | 75 | Confident | 70.6 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.2 | -28.9 | 174.8 | -68.6 | -59.6 | 0 | 0 | 0 | 111.9 | C1024 L1031 S1032 F1046 L1047 I1072 C1076 A1079 F1080 | C1024-F1028 HydrophobicContact CB-CD2 4.11Å; C1024-F1028 HydrophobicContact CB-CE2 4.04Å; C1024-F1028 WeakPolarHBondContact O-CB 3.46Å; C1024-F1028 WeakPolarHBondContact O-CD2 3.46Å; C1024-F1028 PolarHBondContact O-N 2.8Å; F1028-L1031 HydrophobicContact CD1-CD1 4.26Å; F1028-L1031 PolarHBondContact O-N 2.94Å; F1028-S1032 WeakPolarHBondContact O-CB 3.43Å; F1028-S1032 PolarHBondContact O-N 3.43Å; F1028-F1046 HydrophobicContact CE1-CD1 4.11Å; F1028-F1046 HydrophobicContact CE1-CE1 4.12Å; F1028-F1046 HydrophobicContact CZ-CE1 4.17Å; F1028-L1047 HydrophobicContact CE1-CB 4.47Å; F1028-L1047 HydrophobicContact CE1-CD1 4.47Å; F1028-L1047 HydrophobicContact CZ-CD1 3.86Å; F1028-I1072 HydrophobicContact CE2-CG2 4.28Å; F1028-C1076 WeakPolarHBondContact CE2-SG 3.44Å; F1028-C1076 VanDerWaalsContact CZ-SG 3.54Å; F1028-A1079 HydrophobicContact CB-CB 4.04Å; F1028-F1080 HydrophobicContact CB-CE2 4.3Å; F1028-F1080 HydrophobicContact CD1-CE2 4.19Å |
| 1029 | K | 76.2 | Confident | 70.5 | Confident | 89 Ų | 89 | 39.8 Ų | 39.8 | 39% | 0.387 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.4 | -42.6 | 173.1 | -171 | 68.6 | -161.9 | 144.3 | 0 | 111.7 | D978 V982 G1025 V1026 I1027 S1032 T1033 | D978-K1029 HydrophobicContact CB-CG 4.31Å; V982-K1029 HydrophobicContact CG2-CB 4.4Å; V982-K1029 HydrophobicContact CG2-CG 4.02Å; G1025-K1029 WeakPolarHBondContact O-CB 3.48Å; G1025-K1029 PolarHBondContact O-N 3.24Å; V1026-K1029 PolarHBondContact O-N 2.9Å; I1027-K1029 PolarHBondContact O-N 2.93Å; K1029-S1032 PolarHBondContact NZ-OG 3.16Å; K1029-S1032 PolarHBondContact O-N 3.49Å; K1029-S1032 PolarHBondContact O-OG 2.81Å; K1029-T1033 WeakPolarHBondContact O-CG2 3.31Å |
| 1030 | L | 75.2 | Confident | 70.2 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.9 | -49.6 | 171.7 | 176.2 | 63.3 | 0 | 0 | 0 | 111.5 | F981 V982 C985 M996 Y1000 V1026 I1027 S1032 T1033 | F981-L1030 HydrophobicContact CE1-CB 4.2Å; F981-L1030 HydrophobicContact CE1-CD2 3.87Å; V982-L1030 HydrophobicContact CG2-CB 4.12Å; V982-L1030 HydrophobicContact CG2-CD1 4.44Å; C985-L1030 HydrophobicContact CB-CD1 3.75Å; C985-L1030 HydrophobicContact CB-CD2 4.43Å; M996-L1030 HydrophobicContact CE-CD1 4Å; Y1000-L1030 HydrophobicContact CD1-CD2 4.12Å; Y1000-L1030 HydrophobicContact CD1-CG 3.92Å; Y1000-L1030 HydrophobicContact CE1-CD1 4.18Å; Y1000-L1030 HydrophobicContact CE1-CG 3.86Å; V1026-L1030 PolarHBondContact O-N 3.1Å; I1027-L1030 WeakPolarHBondContact O-CB 3.27Å; I1027-L1030 PolarHBondContact O-N 2.95Å; L1030-S1032 PolarHBondContact O-N 3.42Å; L1030-T1033 WeakPolarHBondContact O-CB 3.47Å; L1030-T1033 WeakPolarHBondContact O-CG2 3.4Å; L1030-T1033 PolarHBondContact O-N 3.14Å; L1030-T1033 PolarHBondContact O-OG1 3.45Å |
| 1031 | L | 73.2 | Confident | 69.8 | Low | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.2 | -28.4 | 178.2 | -62.1 | 171.2 | 0 | 0 | 0 | 112.6 | Y1000 T1004 I1027 F1028 T1033 W1042 F1046 F1080 | Y1000-L1031 HydrophobicContact CD1-CD2 3.52Å; Y1000-L1031 HydrophobicContact CD2-CD2 3.97Å; Y1000-L1031 HydrophobicContact CE1-CD2 3.98Å; Y1000-L1031 HydrophobicContact CE2-CD2 4.4Å; Y1000-L1031 HydrophobicContact CG-CD2 3.49Å; Y1000-L1031 VanDerWaalsContact CG-CD2 3.49Å; T1004-L1031 HydrophobicContact CG2-CD1 4.42Å; I1027-L1031 HydrophobicContact CG2-CD1 4.19Å; I1027-L1031 WeakPolarHBondContact O-CG 3.47Å; I1027-L1031 PolarHBondContact O-N 3.04Å; F1028-L1031 HydrophobicContact CD1-CD1 4.26Å; F1028-L1031 PolarHBondContact O-N 2.94Å; L1031-T1033 PolarHBondContact O-N 3.18Å; L1031-W1042 HydrophobicContact CD1-CZ3 4.05Å; L1031-W1042 HydrophobicContact CD2-CE3 3.94Å; L1031-W1042 HydrophobicContact CD2-CH2 4.34Å; L1031-W1042 HydrophobicContact CD2-CZ3 3.42Å; L1031-W1042 VanDerWaalsContact CD2-CZ3 3.42Å; L1031-W1042 HydrophobicContact CG-CZ3 4.4Å; L1031-F1046 HydrophobicContact CD1-CD1 4.03Å; L1031-F1046 HydrophobicContact CD1-CE1 4.48Å; L1031-F1080 HydrophobicContact CB-CE2 4.16Å; L1031-F1080 HydrophobicContact CB-CZ 3.61Å |
| 1032 | S | 73.6 | Confident | 69.7 | Low | 14 Ų | 14 | 44.9 Ų | 44.9 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -1.6 | 179.2 | 76.4 | 0 | 0 | 0 | 0 | 115 | F1028 K1029 L1030 | F1028-S1032 WeakPolarHBondContact O-CB 3.43Å; F1028-S1032 PolarHBondContact O-N 3.43Å; K1029-S1032 PolarHBondContact NZ-OG 3.16Å; K1029-S1032 PolarHBondContact O-N 3.49Å; K1029-S1032 PolarHBondContact O-OG 2.81Å; L1030-S1032 PolarHBondContact O-N 3.42Å |
| 1033 | T | 70.9 | Confident | 69.6 | Low | 41 Ų | 41 | 44 Ų | 44 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -31.3 | -167.8 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | V982 H986 K1029 L1030 L1031 | V982-T1033 HydrophobicContact CG1-CG2 3.4Å; V982-T1033 HydrophobicContact CG2-CG2 4.29Å; H986-T1033 WeakPolarHBondContact NE2-CB 3.29Å; H986-T1033 PolarHBondContact NE2-OG1 2.97Å; K1029-T1033 WeakPolarHBondContact O-CG2 3.31Å; L1030-T1033 WeakPolarHBondContact O-CB 3.47Å; L1030-T1033 WeakPolarHBondContact O-CG2 3.4Å; L1030-T1033 PolarHBondContact O-N 3.14Å; L1030-T1033 PolarHBondContact O-OG1 3.45Å; L1031-T1033 PolarHBondContact O-N 3.18Å |
| 1034 | N | 65.2 | Low | 69.2 | Low | 68 Ų | 68 | 46.2 Ų | 46.2 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -123.8 | 107.8 | 174 | -74.9 | -38.4 | 0 | 0 | 0 | 109.1 | D1036 Q1039 | N1034-D1036 PolarHBondContact O-N 2.91Å; N1034-Q1039 VanDerWaalsContact CB-NE2 3.28Å; N1034-Q1039 VanDerWaalsContact O-CD 3.28Å; N1034-Q1039 PolarHBondContact O-OE1 3.34Å; N1034-Q1039 VanDerWaalsContact O-OE1 3.11Å |
| 1035 | L | 62.3 | Low | 68.8 | Low | 129 Ų | 129 | 50.6 Ų | 50.6 | 68% | 0.675 | 26% | 0.262 | S | S | * | . | trans | -83.9 | 48.2 | -173.8 | -70.3 | 168.6 | 0 | 0 | 0 | 113 | F1080 | L1035-F1080 HydrophobicContact CD2-CD1 4.23Å; L1035-F1080 HydrophobicContact CD2-CE1 4.37Å | ||
| 1036 | D | 64.9 | Low | 68.7 | Low | 92 Ų | 92 | 50.2 Ų | 50.2 | 49% | 0.492 | 26% | 0.256 | S | S | . | . | trans | -73.6 | 145.2 | 171.5 | -66.1 | -40.9 | 0 | 0 | 0 | 111 | N1034 V1038 Q1039 V1040 | N1034-D1036 PolarHBondContact O-N 2.91Å; D1036-V1038 PolarHBondContact O-N 2.84Å; D1036-Q1039 HydrophobicContact CB-CB 4.28Å; D1036-Q1039 HydrophobicContact CB-CG 4.01Å; D1036-Q1039 WeakPolarHBondContact O-CA 3.3Å; D1036-Q1039 PolarHBondContact O-N 2.94Å; D1036-Q1039 PolarHBondContact OD2-NE2 2.72Å; D1036-V1040 PolarHBondContact O-N 2.69Å | ||
| 1037 | L | 59.7 | Low | 68.7 | Low | 153 Ų | 153 | 50.2 Ų | 50.2 | 80% | 0.801 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -54.4 | -38.5 | 177.2 | -175 | 65.3 | 0 | 0 | 0 | 112.5 | V1040 E1041 | L1037-V1040 PolarHBondContact O-N 2.88Å; L1037-E1041 PolarHBondContact O-N 2.95Å; L1037-E1041 VanDerWaalsContact O-N 3.11Å |
| 1038 | V | 62.8 | Low | 68.2 | Low | 118 Ų | 118 | 51 Ų | 51 | 72% | 0.715 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.8 | -39.7 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | D1036 W1042 | D1036-V1038 PolarHBondContact O-N 2.84Å; V1038-W1042 VanDerWaalsContact O-CB 3.26Å; V1038-W1042 WeakPolarHBondContact O-CB 3.06Å; V1038-W1042 PolarHBondContact O-N 3.42Å |
| 1039 | Q | 64.1 | Low | 68 | Low | 34 Ų | 34 | 55.3 Ų | 55.3 | 16% | 0.159 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.8 | -33.6 | 179.4 | -64.2 | -175 | 53.2 | 0 | 0 | 111.6 | Y1000 N1034 D1036 S1043 | Y1000-Q1039 HydrophobicContact CE2-CG 4.3Å; Y1000-Q1039 VanDerWaalsContact CZ-OE1 3.25Å; Y1000-Q1039 PolarHBondContact OH-OE1 3.46Å; N1034-Q1039 VanDerWaalsContact CB-NE2 3.28Å; N1034-Q1039 VanDerWaalsContact O-CD 3.28Å; N1034-Q1039 PolarHBondContact O-OE1 3.34Å; N1034-Q1039 VanDerWaalsContact O-OE1 3.11Å; D1036-Q1039 HydrophobicContact CB-CB 4.28Å; D1036-Q1039 HydrophobicContact CB-CG 4.01Å; D1036-Q1039 WeakPolarHBondContact O-CA 3.3Å; D1036-Q1039 PolarHBondContact O-N 2.94Å; D1036-Q1039 PolarHBondContact OD2-NE2 2.72Å; Q1039-S1043 VanDerWaalsContact O-CB 3.28Å; Q1039-S1043 WeakPolarHBondContact O-CB 3.11Å; Q1039-S1043 PolarHBondContact O-N 2.96Å; Q1039-S1043 PolarHBondContact O-OG 2.71Å |
| 1040 | V | 64.5 | Low | 68 | Low | 31 Ų | 31 | 51.1 Ų | 51.1 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -51.4 | 172.5 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | D1036 L1037 W1042 S1043 R1044 L1083 | D1036-V1040 PolarHBondContact O-N 2.69Å; L1037-V1040 PolarHBondContact O-N 2.88Å; V1040-W1042 PolarHBondContact O-N 3.35Å; V1040-S1043 PolarHBondContact O-N 3.29Å; V1040-S1043 PolarHBondContact O-OG 3.47Å; V1040-R1044 PolarHBondContact O-N 3.32Å; V1040-L1083 HydrophobicContact CG1-CD1 4.07Å |
| 1041 | E | 63.7 | Low | 68 | Low | 69 Ų | 69 | 51.2 Ų | 51.2 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -36.3 | 178.3 | -179.3 | 56.1 | -145.2 | 0 | 0 | 112 | L1037 R1044 Q1045 | L1037-E1041 PolarHBondContact O-N 2.95Å; L1037-E1041 VanDerWaalsContact O-N 3.11Å; E1041-R1044 WeakPolarHBondContact O-CB 3.25Å; E1041-R1044 PolarHBondContact O-N 2.75Å; E1041-R1044 IonicContact OE1-NH1 3.32Å; E1041-R1044 VanDerWaalsContact OE2-CD 3.24Å; E1041-R1044 WeakPolarHBondContact OE2-CD 3.13Å; E1041-R1044 IonicContact OE2-CZ 3.2Å; E1041-R1044 IonicContact OE2-NE 2.72Å; E1041-R1044 IonicContact OE2-NH1 3.45Å; E1041-R1044 PolarHBondContact OE2-NH1 2.86Å; E1041-Q1045 WeakPolarHBondContact O-CG 3.44Å; E1041-Q1045 PolarHBondContact O-N 3.21Å; E1041-Q1045 WeakPolarHBondContact OE1-CG 3.24Å; E1041-Q1045 PolarHBondContact OE1-NE2 3.2Å |
| 1042 | W | 66.6 | Low | 67.8 | Low | 61 Ų | 61 | 51.1 Ų | 51.1 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 171.5 | -169.2 | 94.9 | 0 | 0 | 0 | 111.9 | Q1001 T1004 L1031 V1038 V1040 R1044 Q1045 F1046 | Q1001-W1042 HydrophobicContact CG-CZ2 4.04Å; T1004-W1042 HydrophobicContact CG2-CH2 3.49Å; T1004-W1042 VanDerWaalsContact CG2-CH2 3.49Å; T1004-W1042 HydrophobicContact CG2-CZ3 3.73Å; T1004-W1042 WeakPolarHBondContact OG1-CH2 3.39Å; L1031-W1042 HydrophobicContact CD1-CZ3 4.05Å; L1031-W1042 HydrophobicContact CD2-CE3 3.94Å; L1031-W1042 HydrophobicContact CD2-CH2 4.34Å; L1031-W1042 HydrophobicContact CD2-CZ3 3.42Å; L1031-W1042 VanDerWaalsContact CD2-CZ3 3.42Å; L1031-W1042 HydrophobicContact CG-CZ3 4.4Å; V1038-W1042 VanDerWaalsContact O-CB 3.26Å; V1038-W1042 WeakPolarHBondContact O-CB 3.06Å; V1038-W1042 PolarHBondContact O-N 3.42Å; V1040-W1042 PolarHBondContact O-N 3.35Å; W1042-R1044 VanDerWaalsContact C-N 3.31Å; W1042-R1044 PolarHBondContact O-N 2.86Å; W1042-Q1045 PolarHBondContact O-N 2.96Å; W1042-F1046 HydrophobicContact CE3-CB 4.23Å; W1042-F1046 HydrophobicContact CZ3-CB 4.1Å; W1042-F1046 HydrophobicContact CZ3-CG 4.41Å; W1042-F1046 WeakPolarHBondContact O-CB 3.28Å; W1042-F1046 PolarHBondContact O-N 3.3Å |
| 1043 | S | 67.3 | Low | 67.8 | Low | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.1 | -32.7 | 176.9 | 78 | 0 | 0 | 0 | 0 | 112.6 | Q1039 V1040 L1047 L1083 | Q1039-S1043 VanDerWaalsContact O-CB 3.28Å; Q1039-S1043 WeakPolarHBondContact O-CB 3.11Å; Q1039-S1043 PolarHBondContact O-N 2.96Å; Q1039-S1043 PolarHBondContact O-OG 2.71Å; V1040-S1043 PolarHBondContact O-N 3.29Å; V1040-S1043 PolarHBondContact O-OG 3.47Å; S1043-L1047 VanDerWaalsContact O-CB 3.29Å; S1043-L1047 WeakPolarHBondContact O-CB 3.49Å; S1043-L1047 PolarHBondContact O-N 2.91Å; S1043-L1083 VanDerWaalsContact OG-CD1 3.29Å; S1043-L1083 WeakPolarHBondContact OG-CD1 3.44Å |
| 1044 | R | 66.8 | Low | 67.9 | Low | 46 Ų | 46 | 51.4 Ų | 51.4 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -52.2 | 171 | 179.3 | -165.9 | 167.8 | -166.8 | -0.1 | 110.4 | V1040 E1041 W1042 F1046 L1047 I1048 L1083 W1084 D1222 | V1040-R1044 PolarHBondContact O-N 3.32Å; E1041-R1044 WeakPolarHBondContact O-CB 3.25Å; E1041-R1044 PolarHBondContact O-N 2.75Å; E1041-R1044 IonicContact OE1-NH1 3.32Å; E1041-R1044 VanDerWaalsContact OE2-CD 3.24Å; E1041-R1044 WeakPolarHBondContact OE2-CD 3.13Å; E1041-R1044 IonicContact OE2-CZ 3.2Å; E1041-R1044 IonicContact OE2-NE 2.72Å; E1041-R1044 IonicContact OE2-NH1 3.45Å; E1041-R1044 PolarHBondContact OE2-NH1 2.86Å; W1042-R1044 VanDerWaalsContact C-N 3.31Å; W1042-R1044 PolarHBondContact O-N 2.86Å; R1044-F1046 VanDerWaalsContact C-N 3.33Å; R1044-F1046 PolarHBondContact O-N 2.94Å; R1044-L1047 PolarHBondContact O-N 3.23Å; R1044-I1048 HydrophobicContact CG-CD1 3.9Å; R1044-I1048 WeakPolarHBondContact O-CD1 3.41Å; R1044-I1048 WeakPolarHBondContact O-CG1 3.46Å; R1044-I1048 PolarHBondContact O-N 2.77Å; R1044-L1083 HydrophobicContact CB-CD1 3.95Å; R1044-W1084 HydrophobicContact CG-CE3 4.43Å; R1044-W1084 HydrophobicContact CG-CH2 3.66Å; R1044-W1084 HydrophobicContact CG-CZ2 4.19Å; R1044-W1084 HydrophobicContact CG-CZ3 3.8Å; R1044-D1222 IonicContact CZ-OD1 2.71Å; R1044-D1222 IonicContact NH2-OD1 3.52Å; R1044-D1222 PolarHBondContact NH2-OD1 3.38Å |
| 1045 | Q | 66.1 | Low | 68.1 | Low | 92 Ų | 92 | 48.2 Ų | 48.2 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -40.8 | 178.4 | -69.5 | 179.4 | 22.9 | 0 | 0 | 112.1 | E1041 W1042 I1048 Q1049 | E1041-Q1045 WeakPolarHBondContact O-CG 3.44Å; E1041-Q1045 PolarHBondContact O-N 3.21Å; E1041-Q1045 WeakPolarHBondContact OE1-CG 3.24Å; E1041-Q1045 PolarHBondContact OE1-NE2 3.2Å; W1042-Q1045 PolarHBondContact O-N 2.96Å; Q1045-I1048 WeakPolarHBondContact O-CB 3.17Å; Q1045-I1048 PolarHBondContact O-N 2.78Å; Q1045-Q1049 WeakPolarHBondContact O-CG 3.26Å; Q1045-Q1049 PolarHBondContact O-N 3.49Å |
| 1046 | F | 71.5 | Confident | 68.3 | Low | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 172.1 | 171.4 | -114.8 | 0 | 0 | 0 | 112 | T1004 L1007 L1008 I1027 F1028 L1031 W1042 R1044 I1048 Q1049 Y1050 | T1004-F1046 HydrophobicContact CG2-CD1 3.66Å; T1004-F1046 HydrophobicContact CG2-CD2 3.63Å; T1004-F1046 HydrophobicContact CG2-CE1 3.58Å; T1004-F1046 HydrophobicContact CG2-CE2 3.58Å; T1004-F1046 HydrophobicContact CG2-CG 3.67Å; T1004-F1046 HydrophobicContact CG2-CZ 3.54Å; L1007-F1046 HydrophobicContact CD2-CE1 4.5Å; L1007-F1046 HydrophobicContact CD2-CZ 4.02Å; L1008-F1046 HydrophobicContact CD1-CE2 4.3Å; L1008-F1046 HydrophobicContact CG-CE2 4.25Å; I1027-F1046 HydrophobicContact CG2-CE1 4.09Å; F1028-F1046 HydrophobicContact CE1-CD1 4.11Å; F1028-F1046 HydrophobicContact CE1-CE1 4.12Å; F1028-F1046 HydrophobicContact CZ-CE1 4.17Å; L1031-F1046 HydrophobicContact CD1-CD1 4.03Å; L1031-F1046 HydrophobicContact CD1-CE1 4.48Å; W1042-F1046 HydrophobicContact CE3-CB 4.23Å; W1042-F1046 HydrophobicContact CZ3-CB 4.1Å; W1042-F1046 HydrophobicContact CZ3-CG 4.41Å; W1042-F1046 WeakPolarHBondContact O-CB 3.28Å; W1042-F1046 PolarHBondContact O-N 3.3Å; R1044-F1046 VanDerWaalsContact C-N 3.33Å; R1044-F1046 PolarHBondContact O-N 2.94Å; F1046-I1048 PolarHBondContact O-N 2.8Å; F1046-Q1049 PolarHBondContact O-N 2.93Å; F1046-Y1050 HydrophobicContact CE2-CG 4.44Å; F1046-Y1050 HydrophobicContact CZ-CD2 4.26Å; F1046-Y1050 HydrophobicContact CZ-CG 4.06Å; F1046-Y1050 WeakPolarHBondContact O-CB 3.34Å; F1046-Y1050 PolarHBondContact O-N 2.92Å |
| 1047 | L | 74.6 | Confident | 68.4 | Low | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.4 | -38.7 | 177.4 | 175.4 | 60.7 | 0 | 0 | 0 | 111.8 | F1028 S1043 R1044 L1051 I1072 I1073 C1076 L1083 W1084 | F1028-L1047 HydrophobicContact CE1-CB 4.47Å; F1028-L1047 HydrophobicContact CE1-CD1 4.47Å; F1028-L1047 HydrophobicContact CZ-CD1 3.86Å; S1043-L1047 VanDerWaalsContact O-CB 3.29Å; S1043-L1047 WeakPolarHBondContact O-CB 3.49Å; S1043-L1047 PolarHBondContact O-N 2.91Å; R1044-L1047 PolarHBondContact O-N 3.23Å; L1047-L1051 HydrophobicContact CD1-CD1 3.79Å; L1047-L1051 HydrophobicContact CD1-CG 3.96Å; L1047-L1051 HydrophobicContact CG-CD1 4.06Å; L1047-L1051 WeakPolarHBondContact O-CB 3.37Å; L1047-L1051 VanDerWaalsContact O-CG 3.27Å; L1047-L1051 WeakPolarHBondContact O-CG 3.3Å; L1047-L1051 PolarHBondContact O-N 3.46Å; L1047-I1072 HydrophobicContact CD1-CG2 3.86Å; L1047-I1073 HydrophobicContact CD2-CD1 4.47Å; L1047-C1076 HydrophobicContact CD2-CB 4.28Å; L1047-L1083 HydrophobicContact CD2-CD2 3.78Å; L1047-W1084 HydrophobicContact CD2-CZ2 4.24Å |
| 1048 | I | 68.8 | Low | 68.3 | Low | 18 Ų | 18 | 34.6 Ų | 34.6 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.9 | -50.5 | 176.8 | -66.7 | 161.4 | 0 | 0 | 0 | 111.2 | R1044 Q1045 F1046 S1052 W1084 I1115 Y1225 | R1044-I1048 HydrophobicContact CG-CD1 3.9Å; R1044-I1048 WeakPolarHBondContact O-CD1 3.41Å; R1044-I1048 WeakPolarHBondContact O-CG1 3.46Å; R1044-I1048 PolarHBondContact O-N 2.77Å; Q1045-I1048 WeakPolarHBondContact O-CB 3.17Å; Q1045-I1048 PolarHBondContact O-N 2.78Å; F1046-I1048 PolarHBondContact O-N 2.8Å; I1048-S1052 WeakPolarHBondContact O-CB 3.45Å; I1048-S1052 PolarHBondContact O-N 2.89Å; I1048-W1084 HydrophobicContact CD1-CH2 4.41Å; I1048-I1115 HydrophobicContact CB-CD1 4.34Å; I1048-I1115 HydrophobicContact CD1-CD1 3.35Å; I1048-I1115 HydrophobicContact CD1-CG2 4.49Å; I1048-I1115 HydrophobicContact CG1-CD1 3.64Å; I1048-I1115 HydrophobicContact CG1-CG2 4.07Å; I1048-I1115 HydrophobicContact CG2-CD1 3.73Å; I1048-Y1225 HydrophobicContact CG2-CD1 4.32Å; I1048-Y1225 HydrophobicContact CG2-CD2 4.03Å; I1048-Y1225 HydrophobicContact CG2-CG 3.75Å |
| 1049 | Q | 69.3 | Low | 67.7 | Low | 91 Ų | 91 | 29.7 Ų | 29.7 | 43% | 0.425 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 178.4 | -70 | 175.2 | 12.4 | 0 | 0 | 111.1 | Q1045 F1046 S1052 H1053 | Q1045-Q1049 WeakPolarHBondContact O-CG 3.26Å; Q1045-Q1049 PolarHBondContact O-N 3.49Å; F1046-Q1049 PolarHBondContact O-N 2.93Å; Q1049-S1052 PolarHBondContact O-N 2.92Å; Q1049-H1053 VanDerWaalsContact O-CB 3.24Å; Q1049-H1053 WeakPolarHBondContact O-CB 3.45Å; Q1049-H1053 PolarHBondContact O-N 3.28Å |
| 1050 | Y | 77 | Confident | 67 | Low | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 177.4 | 176.7 | -117.5 | 0 | 0 | 0 | 112.5 | L1007 L1008 C1011 C1024 F1046 H1053 L1054 I1072 | L1007-Y1050 HydrophobicContact CD2-CD2 4.11Å; L1007-Y1050 HydrophobicContact CD2-CE1 4.29Å; L1007-Y1050 HydrophobicContact CD2-CE2 3.7Å; L1007-Y1050 HydrophobicContact CG-CD2 4.43Å; L1007-Y1050 HydrophobicContact CG-CE2 3.85Å; L1008-Y1050 HydrophobicContact CD2-CD2 4.03Å; C1011-Y1050 PolarHBondContact SG-OH 3.22Å; C1011-Y1050 VanDerWaalsContact SG-OH 3.34Å; C1024-Y1050 PolarHBondContact SG-OH 2.83Å; F1046-Y1050 HydrophobicContact CE2-CG 4.44Å; F1046-Y1050 HydrophobicContact CZ-CD2 4.26Å; F1046-Y1050 HydrophobicContact CZ-CG 4.06Å; F1046-Y1050 WeakPolarHBondContact O-CB 3.34Å; F1046-Y1050 PolarHBondContact O-N 2.92Å; Y1050-H1053 PolarHBondContact O-N 3.33Å; Y1050-L1054 VanDerWaalsContact O-CB 3.27Å; Y1050-L1054 WeakPolarHBondContact O-CB 3.33Å; Y1050-L1054 PolarHBondContact O-N 2.88Å; Y1050-I1072 HydrophobicContact CE1-CD1 3.92Å; Y1050-I1072 HydrophobicContact CE1-CG1 4.45Å; Y1050-I1072 HydrophobicContact CE1-CG2 4.31Å |
| 1051 | L | 75.2 | Confident | 66.4 | Low | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 174.4 | -71.8 | 172.7 | 0 | 0 | 0 | 111.1 | L1047 H1053 L1054 F1055 I1072 I1073 L1119 L1229 | L1047-L1051 HydrophobicContact CD1-CD1 3.79Å; L1047-L1051 HydrophobicContact CD1-CG 3.96Å; L1047-L1051 HydrophobicContact CG-CD1 4.06Å; L1047-L1051 WeakPolarHBondContact O-CB 3.37Å; L1047-L1051 VanDerWaalsContact O-CG 3.27Å; L1047-L1051 WeakPolarHBondContact O-CG 3.3Å; L1047-L1051 PolarHBondContact O-N 3.46Å; L1051-H1053 VanDerWaalsContact C-N 3.29Å; L1051-H1053 PolarHBondContact O-N 3.37Å; L1051-L1054 HydrophobicContact CD2-CD2 4.46Å; L1051-L1054 PolarHBondContact O-N 3.4Å; L1051-F1055 HydrophobicContact CD2-CE2 4.38Å; L1051-F1055 WeakPolarHBondContact O-CD2 3.46Å; L1051-F1055 PolarHBondContact O-N 3.43Å; L1051-I1072 HydrophobicContact CD2-CD1 4.02Å; L1051-I1072 HydrophobicContact CD2-CG2 4.19Å; L1051-I1073 HydrophobicContact CD1-CD1 4.19Å; L1051-L1119 HydrophobicContact CD1-CD2 3.69Å; L1051-L1229 HydrophobicContact CB-CD1 4.01Å |
| 1052 | S | 69.5 | Low | 65.8 | Low | 5 Ų | 5 | 40.7 Ų | 40.7 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -38 | 176.4 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | I1048 Q1049 H1056 R1228 | I1048-S1052 WeakPolarHBondContact O-CB 3.45Å; I1048-S1052 PolarHBondContact O-N 2.89Å; Q1049-S1052 PolarHBondContact O-N 2.92Å; S1052-H1056 WeakPolarHBondContact O-CB 3.18Å; S1052-H1056 PolarHBondContact O-N 3.31Å; S1052-H1056 VanDerWaalsContact O-N 3.13Å; S1052-R1228 PolarHBondContact OG-NE 3.46Å; S1052-R1228 VanDerWaalsContact OG-NE 3.12Å |
| 1053 | H | 72.2 | Confident | 65.5 | Low | 57 Ų | 57 | 39 Ų | 39 | 26% | 0.264 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.5 | -48.7 | 177.4 | -175.1 | 83.1 | 0 | 0 | 0 | 111.8 | L1008 Q1049 Y1050 L1051 F1055 H1056 Q1057 | L1008-H1053 WeakPolarHBondContact CA-NE2 3.34Å; L1008-H1053 HydrophobicContact CD2-CB 3.7Å; L1008-H1053 VanDerWaalsContact CD2-CD2 3.43Å; L1008-H1053 WeakPolarHBondContact CD2-CD2 3.38Å; L1008-H1053 PolarHBondContact O-NE2 2.82Å; Q1049-H1053 VanDerWaalsContact O-CB 3.24Å; Q1049-H1053 WeakPolarHBondContact O-CB 3.45Å; Q1049-H1053 PolarHBondContact O-N 3.28Å; Y1050-H1053 PolarHBondContact O-N 3.33Å; L1051-H1053 VanDerWaalsContact C-N 3.29Å; L1051-H1053 PolarHBondContact O-N 3.37Å; H1053-F1055 PolarHBondContact O-N 2.84Å; H1053-H1056 WeakPolarHBondContact O-CB 3.15Å; H1053-H1056 PolarHBondContact O-N 3.03Å; H1053-Q1057 PolarHBondContact CD2-OE1 2.73Å; H1053-Q1057 PolarHBondContact CE1-NE2 3.43Å; H1053-Q1057 PolarHBondContact NE2-OE1 2.9Å; H1053-Q1057 PolarHBondContact O-N 3.07Å; H1053-Q1057 VanDerWaalsContact O-N 3.15Å |
| 1054 | L | 72.9 | Confident | 65.2 | Low | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.5 | -50.4 | 175.7 | -177.5 | 73.9 | 0 | 0 | 0 | 111.7 | Y1020 Y1050 L1051 H1056 Q1057 A1058 A1065 L1068 I1072 | Y1020-L1054 HydrophobicContact CD1-CD1 4.35Å; Y1020-L1054 HydrophobicContact CE1-CD1 3.71Å; Y1050-L1054 VanDerWaalsContact O-CB 3.27Å; Y1050-L1054 WeakPolarHBondContact O-CB 3.33Å; Y1050-L1054 PolarHBondContact O-N 2.88Å; L1051-L1054 HydrophobicContact CD2-CD2 4.46Å; L1051-L1054 PolarHBondContact O-N 3.4Å; L1054-H1056 PolarHBondContact O-N 3.29Å; L1054-Q1057 PolarHBondContact O-N 3.1Å; L1054-A1058 HydrophobicContact CD1-CB 4.4Å; L1054-A1058 WeakPolarHBondContact O-CB 3.28Å; L1054-A1058 PolarHBondContact O-N 3.09Å; L1054-A1065 HydrophobicContact CD2-CB 4.32Å; L1054-A1065 HydrophobicContact CG-CB 4.08Å; L1054-L1068 HydrophobicContact CD1-CD2 4.31Å; L1054-L1068 HydrophobicContact CD2-CD2 4.12Å; L1054-I1072 HydrophobicContact CD2-CD1 3.51Å |
| 1055 | F | 69.5 | Low | 65 | Low | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.4 | -16.6 | 177.6 | -76.9 | -69.7 | 0 | 0 | 0 | 113.9 | L1051 H1053 F1059 A1065 L1066 M1069 L1229 A1233 | L1051-F1055 HydrophobicContact CD2-CE2 4.38Å; L1051-F1055 WeakPolarHBondContact O-CD2 3.46Å; L1051-F1055 PolarHBondContact O-N 3.43Å; H1053-F1055 PolarHBondContact O-N 2.84Å; F1055-F1059 WeakPolarHBondContact O-CD2 3.5Å; F1055-F1059 WeakPolarHBondContact O-CE2 3.43Å; F1055-A1065 HydrophobicContact CD1-CB 3.43Å; F1055-A1065 VanDerWaalsContact CD1-CB 3.43Å; F1055-A1065 HydrophobicContact CE1-CB 3.5Å; F1055-A1065 VanDerWaalsContact CE1-CB 3.5Å; F1055-A1065 HydrophobicContact CG-CB 4.14Å; F1055-A1065 HydrophobicContact CZ-CB 4.26Å; F1055-L1066 HydrophobicContact CE1-CB 4.46Å; F1055-L1066 HydrophobicContact CE1-CD2 3.96Å; F1055-L1066 HydrophobicContact CE1-CG 3.88Å; F1055-L1066 HydrophobicContact CZ-CD2 4.24Å; F1055-M1069 HydrophobicContact CZ-CB 4.16Å; F1055-M1069 HydrophobicContact CZ-CG 4.34Å; F1055-M1069 HydrophobicContact CZ-SD 4.15Å; F1055-L1229 HydrophobicContact CD2-CD1 3.44Å; F1055-L1229 VanDerWaalsContact CD2-CD1 3.44Å; F1055-L1229 HydrophobicContact CE2-CD1 3.89Å; F1055-L1229 HydrophobicContact CG-CD1 4.37Å; F1055-A1233 HydrophobicContact CD1-CB 3.78Å; F1055-A1233 HydrophobicContact CE1-CB 3.78Å; F1055-A1233 HydrophobicContact CG-CB 4.25Å; F1055-A1233 HydrophobicContact CZ-CB 4.22Å |
| 1056 | H | 67.9 | Low | 65.3 | Low | 17 Ų | 17 | 33.7 Ų | 33.7 | 8% | 0.079 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -85.4 | -23.9 | 178.2 | -172.7 | 75.2 | 0 | 0 | 0 | 113.4 | S1052 H1053 L1054 Y1323 H1326 L1327 T1330 N1331 | S1052-H1056 WeakPolarHBondContact O-CB 3.18Å; S1052-H1056 PolarHBondContact O-N 3.31Å; S1052-H1056 VanDerWaalsContact O-N 3.13Å; H1053-H1056 WeakPolarHBondContact O-CB 3.15Å; H1053-H1056 PolarHBondContact O-N 3.03Å; L1054-H1056 PolarHBondContact O-N 3.29Å; H1056-Y1323 AromaticContact CE1-CE1 3.75Å; H1056-Y1323 AromaticContact CE1-CE2 3.24Å; H1056-Y1323 WeakPolarHBondContact CE1-CE2 3.42Å; H1056-Y1323 AromaticContact CE1-CZ 2.84Å; H1056-Y1323 PolarHBondContact CE1-OH 3.03Å; H1056-Y1323 AromaticContact ND1-CE2 3.69Å; H1056-Y1323 AromaticContact ND1-CZ 3.59Å; H1056-Y1323 PolarHBondContact ND1-OH 3.28Å; H1056-Y1323 VanDerWaalsContact ND1-OH 3.08Å; H1056-Y1323 AromaticContact NE2-CD2 3.88Å; H1056-Y1323 AromaticContact NE2-CE2 3.32Å; H1056-Y1323 VanDerWaalsContact NE2-CE2 3.32Å; H1056-Y1323 WeakPolarHBondContact NE2-CE2 3.48Å; H1056-Y1323 AromaticContact NE2-CZ 3.94Å; H1056-H1326 AromaticContact NE2-CD2 3.9Å; H1056-H1326 AromaticContact NE2-CE1 3.37Å; H1056-H1326 PolarHBondContact NE2-CE1 2.93Å; H1056-H1326 AromaticContact NE2-CG 3.16Å; H1056-H1326 AromaticContact NE2-ND1 2.78Å; H1056-H1326 PolarHBondContact NE2-ND1 3.32Å; H1056-L1327 WeakPolarHBondContact CE1-CD2 3.47Å; H1056-L1327 WeakPolarHBondContact ND1-CD2 3.42Å; H1056-T1330 PolarHBondContact O-OG1 2.93Å; H1056-N1331 PolarHBondContact O-ND2 2.91Å; H1056-N1331 PolarHBondContact O-OD1 2.98Å |
| 1057 | Q | 66.1 | Low | 65.1 | Low | 56 Ų | 56 | 36 Ų | 36 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -111 | -29.9 | -175.3 | -64.3 | -176.6 | -32 | 0 | 0 | 114.9 | N1012 H1053 L1054 F1059 N1331 | N1012-Q1057 PolarHBondContact ND2-OE1 3.21Å; N1012-Q1057 PolarHBondContact OD1-OE1 2.95Å; N1012-Q1057 VanDerWaalsContact OD1-OE1 3.12Å; H1053-Q1057 PolarHBondContact CD2-OE1 2.73Å; H1053-Q1057 PolarHBondContact CE1-NE2 3.43Å; H1053-Q1057 PolarHBondContact NE2-OE1 2.9Å; H1053-Q1057 PolarHBondContact O-N 3.07Å; H1053-Q1057 VanDerWaalsContact O-N 3.15Å; L1054-Q1057 PolarHBondContact O-N 3.1Å; Q1057-F1059 PolarHBondContact O-N 3.17Å; Q1057-N1331 PolarHBondContact O-OD1 3.46Å; Q1057-N1331 VanDerWaalsContact O-OD1 3.12Å |
| 1058 | A | 57.2 | Low | 64.9 | Low | 14 Ų | 14 | 36 Ų | 36 | 12% | 0.116 | 18% | 0.177 | C | C | . | . | trans | -96.8 | 23.8 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | L1054 A1065 | L1054-A1058 HydrophobicContact CD1-CB 4.4Å; L1054-A1058 WeakPolarHBondContact O-CB 3.28Å; L1054-A1058 PolarHBondContact O-N 3.09Å; A1058-A1065 HydrophobicContact CB-CB 4.3Å | ||
| 1059 | F | 51 | Low | 65.4 | Low | 16 Ų | 16 | 35.2 Ų | 35.2 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -9.8 | -178.2 | -97.3 | -84.4 | 0 | 0 | 0 | 115.9 | F1055 Q1057 Q1061 Q1062 S1232 F1236 N1331 | F1055-F1059 WeakPolarHBondContact O-CD2 3.5Å; F1055-F1059 WeakPolarHBondContact O-CE2 3.43Å; Q1057-F1059 PolarHBondContact O-N 3.17Å; F1059-Q1061 PolarHBondContact O-N 3.45Å; F1059-Q1062 PolarHBondContact O-N 2.74Å; F1059-S1232 WeakPolarHBondContact CE2-O 3.18Å; F1059-S1232 WeakPolarHBondContact CZ-O 3.38Å; F1059-F1236 HydrophobicContact CB-CD2 4.24Å; F1059-F1236 HydrophobicContact CD1-CB 4.19Å; F1059-F1236 AromaticContact CD1-CD2 3.74Å; F1059-F1236 HydrophobicContact CD1-CD2 3.74Å; F1059-F1236 HydrophobicContact CD1-CG 4.45Å; F1059-F1236 HydrophobicContact CD2-CD2 4.15Å; F1059-F1236 HydrophobicContact CD2-CE2 4.5Å; F1059-F1236 HydrophobicContact CE1-CB 4.15Å; F1059-F1236 HydrophobicContact CE1-CD2 4.07Å; F1059-F1236 HydrophobicContact CE2-CD2 4.45Å; F1059-F1236 AromaticContact CG-CD2 3.78Å; F1059-F1236 HydrophobicContact CG-CD2 3.78Å; F1059-F1236 HydrophobicContact CG-CE2 4.37Å; F1059-F1236 HydrophobicContact CZ-CD2 4.41Å; F1059-N1331 HydrophobicContact CB-CB 3.57Å; F1059-N1331 WeakPolarHBondContact CB-OD1 3.44Å; F1059-N1331 PolarHBondContact N-OD1 3.23Å; F1059-N1331 VanDerWaalsContact N-OD1 3.15Å |
| 1060 | T | 49.5 | Very low | 65.7 | Low | 97 Ų | 97 | 30.9 Ų | 30.9 | 60% | 0.595 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -34.8 | -179.7 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | Q1062 N1331 | T1060-Q1062 PolarHBondContact O-N 2.75Å; T1060-N1331 WeakPolarHBondContact CG2-O 3.41Å |
| 1061 | Q | 51.9 | Low | 65.6 | Low | 108 Ų | 108 | 31.8 Ų | 31.8 | 51% | 0.505 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -97.2 | 64.6 | 175.4 | -63.1 | -170.8 | 16.5 | 0 | 0 | 112.2 | F1059 N1063 F1064 | F1059-Q1061 PolarHBondContact O-N 3.45Å; Q1061-N1063 PolarHBondContact O-N 3.05Å; Q1061-F1064 HydrophobicContact CB-CB 3.93Å; Q1061-F1064 WeakPolarHBondContact O-CB 3.3Å; Q1061-F1064 PolarHBondContact O-N 3.13Å |
| 1062 | Q | 51.5 | Low | 65.5 | Low | 159 Ų | 159 | 31.7 Ų | 31.7 | 74% | 0.743 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 25.1 | 63.4 | 167.7 | -72.5 | -168.2 | -42.3 | 0 | 0 | 116.3 | F1059 T1060 | F1059-Q1062 PolarHBondContact O-N 2.74Å; T1060-Q1062 PolarHBondContact O-N 2.75Å |
| 1063 | N | 58.8 | Low | 65.7 | Low | 25 Ų | 25 | 31.5 Ų | 31.5 | 13% | 0.134 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 21.2 | 177.5 | -43.3 | -81.7 | 0 | 0 | 0 | 117.6 | Q1061 A1065 L1066 Y1067 R1129 | Q1061-N1063 PolarHBondContact O-N 3.05Å; N1063-A1065 VanDerWaalsContact C-N 3.26Å; N1063-A1065 PolarHBondContact O-N 2.87Å; N1063-L1066 HydrophobicContact CB-CB 4.25Å; N1063-L1066 HydrophobicContact CB-CD1 3.92Å; N1063-L1066 WeakPolarHBondContact O-CB 3.16Å; N1063-L1066 PolarHBondContact O-N 3.37Å; N1063-Y1067 PolarHBondContact O-N 3.49Å; N1063-Y1067 VanDerWaalsContact O-N 3.15Å; N1063-R1129 PolarHBondContact ND2-NH2 2.57Å |
| 1064 | F | 61.5 | Low | 65.8 | Low | 23 Ų | 23 | 29.2 Ų | 29.2 | 10% | 0.101 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -47.9 | -42.8 | 174.1 | -176.1 | -82 | 0 | 0 | 0 | 114 | I1017 Y1020 Q1061 L1066 Y1067 L1068 | I1017-F1064 HydrophobicContact CG1-CE2 3.83Å; I1017-F1064 HydrophobicContact CG1-CZ 3.94Å; Y1020-F1064 AromaticContact CD2-CE1 3.66Å; Y1020-F1064 HydrophobicContact CD2-CE1 3.66Å; Y1020-F1064 AromaticContact CD2-CZ 3.64Å; Y1020-F1064 HydrophobicContact CD2-CZ 3.64Å; Y1020-F1064 HydrophobicContact CE2-CD1 4.43Å; Y1020-F1064 AromaticContact CE2-CE1 3.28Å; Y1020-F1064 HydrophobicContact CE2-CE1 3.28Å; Y1020-F1064 AromaticContact CE2-CZ 3.44Å; Y1020-F1064 HydrophobicContact CE2-CZ 3.44Å; Y1020-F1064 VanDerWaalsContact CE2-CZ 3.44Å; Y1020-F1064 HydrophobicContact CG-CE1 4.43Å; Y1020-F1064 AromaticContact CZ-CE1 3.76Å; Q1061-F1064 HydrophobicContact CB-CB 3.93Å; Q1061-F1064 WeakPolarHBondContact O-CB 3.3Å; Q1061-F1064 PolarHBondContact O-N 3.13Å; F1064-L1066 PolarHBondContact O-N 2.75Å; F1064-Y1067 WeakPolarHBondContact O-CB 3.49Å; F1064-Y1067 PolarHBondContact O-N 3.26Å; F1064-Y1067 VanDerWaalsContact O-N 3.13Å; F1064-L1068 HydrophobicContact CE1-CB 4.38Å; F1064-L1068 HydrophobicContact CE1-CD2 3.98Å; F1064-L1068 WeakPolarHBondContact O-CB 3.29Å; F1064-L1068 PolarHBondContact O-N 3.27Å |
| 1065 | A | 64.1 | Low | 65.7 | Low | 3 Ų | 3 | 30.6 Ų | 30.6 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -39.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1054 F1055 A1058 N1063 Y1067 L1068 M1069 | L1054-A1065 HydrophobicContact CD2-CB 4.32Å; L1054-A1065 HydrophobicContact CG-CB 4.08Å; F1055-A1065 HydrophobicContact CD1-CB 3.43Å; F1055-A1065 VanDerWaalsContact CD1-CB 3.43Å; F1055-A1065 HydrophobicContact CE1-CB 3.5Å; F1055-A1065 VanDerWaalsContact CE1-CB 3.5Å; F1055-A1065 HydrophobicContact CG-CB 4.14Å; F1055-A1065 HydrophobicContact CZ-CB 4.26Å; A1058-A1065 HydrophobicContact CB-CB 4.3Å; N1063-A1065 VanDerWaalsContact C-N 3.26Å; N1063-A1065 PolarHBondContact O-N 2.87Å; A1065-Y1067 VanDerWaalsContact C-N 3.28Å; A1065-Y1067 PolarHBondContact O-N 3.07Å; A1065-L1068 PolarHBondContact O-N 2.98Å; A1065-M1069 WeakPolarHBondContact O-CB 3.22Å; A1065-M1069 PolarHBondContact O-N 3.43Å |
| 1066 | L | 70.6 | Confident | 65.8 | Low | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.9 | -34.8 | 174.1 | -78.9 | 167.4 | 0 | 0 | 0 | 111.4 | F1055 N1063 F1064 P1070 W1125 A1233 | F1055-L1066 HydrophobicContact CE1-CB 4.46Å; F1055-L1066 HydrophobicContact CE1-CD2 3.96Å; F1055-L1066 HydrophobicContact CE1-CG 3.88Å; F1055-L1066 HydrophobicContact CZ-CD2 4.24Å; N1063-L1066 HydrophobicContact CB-CB 4.25Å; N1063-L1066 HydrophobicContact CB-CD1 3.92Å; N1063-L1066 WeakPolarHBondContact O-CB 3.16Å; N1063-L1066 PolarHBondContact O-N 3.37Å; F1064-L1066 PolarHBondContact O-N 2.75Å; L1066-P1070 WeakPolarHBondContact O-CD 3.2Å; L1066-W1125 HydrophobicContact CD1-CH2 4.5Å; L1066-W1125 HydrophobicContact CD1-CZ3 3.83Å; L1066-A1233 HydrophobicContact CD2-CB 4.19Å |
| 1067 | Y | 68.7 | Low | 65.9 | Low | 57 Ų | 57 | 30.3 Ų | 30.3 | 22% | 0.224 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.7 | -36.4 | 178.9 | -168.2 | -77.2 | 0 | 0 | 0 | 112.6 | I1017 N1063 F1064 A1065 P1070 N1143 Q1146 | I1017-Y1067 HydrophobicContact CD1-CD1 3.7Å; I1017-Y1067 HydrophobicContact CD1-CE1 3.47Å; I1017-Y1067 VanDerWaalsContact CD1-CE1 3.47Å; I1017-Y1067 HydrophobicContact CG1-CD1 4.07Å; I1017-Y1067 HydrophobicContact CG1-CE1 4.22Å; N1063-Y1067 PolarHBondContact O-N 3.49Å; N1063-Y1067 VanDerWaalsContact O-N 3.15Å; F1064-Y1067 WeakPolarHBondContact O-CB 3.49Å; F1064-Y1067 PolarHBondContact O-N 3.26Å; F1064-Y1067 VanDerWaalsContact O-N 3.13Å; A1065-Y1067 VanDerWaalsContact C-N 3.28Å; A1065-Y1067 PolarHBondContact O-N 3.07Å; Y1067-P1070 WeakPolarHBondContact O-CD 3.44Å; Y1067-N1143 WeakPolarHBondContact OH-CB 3.16Å; Y1067-N1143 PolarHBondContact OH-ND2 3.32Å; Y1067-Q1146 VanDerWaalsContact CD1-NE2 3.34Å; Y1067-Q1146 HydrophobicContact CE1-CG 4.4Å; Y1067-Q1146 VanDerWaalsContact CE1-NE2 3.26Å; Y1067-Q1146 VanDerWaalsContact CE2-OE1 3.22Å; Y1067-Q1146 VanDerWaalsContact CZ-NE2 3.29Å; Y1067-Q1146 PolarHBondContact O-NE2 3.26Å; Y1067-Q1146 VanDerWaalsContact O-NE2 3.1Å; Y1067-Q1146 PolarHBondContact OH-OE1 2.93Å |
| 1068 | L | 70.3 | Confident | 66.1 | Low | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -79.4 | -28.6 | 178.4 | 179.3 | 64.3 | 0 | 0 | 0 | 112.8 | I1017 Y1020 L1054 F1064 A1065 P1070 H1071 I1072 | I1017-L1068 HydrophobicContact CG2-CD1 4.03Å; Y1020-L1068 HydrophobicContact CD1-CD2 3.46Å; Y1020-L1068 VanDerWaalsContact CD1-CD2 3.46Å; Y1020-L1068 HydrophobicContact CD2-CD2 4.1Å; Y1020-L1068 HydrophobicContact CE1-CD2 4.06Å; Y1020-L1068 HydrophobicContact CG-CD1 4.45Å; Y1020-L1068 HydrophobicContact CG-CD2 3.47Å; Y1020-L1068 VanDerWaalsContact CG-CD2 3.47Å; L1054-L1068 HydrophobicContact CD1-CD2 4.31Å; L1054-L1068 HydrophobicContact CD2-CD2 4.12Å; F1064-L1068 HydrophobicContact CE1-CB 4.38Å; F1064-L1068 HydrophobicContact CE1-CD2 3.98Å; F1064-L1068 WeakPolarHBondContact O-CB 3.29Å; F1064-L1068 PolarHBondContact O-N 3.27Å; A1065-L1068 PolarHBondContact O-N 2.98Å; L1068-P1070 VanDerWaalsContact C-CD 3.47Å; L1068-H1071 HydrophobicContact CD1-CB 4.41Å; L1068-H1071 WeakPolarHBondContact O-CB 3.31Å; L1068-H1071 PolarHBondContact O-N 3.14Å; L1068-I1072 HydrophobicContact CD1-CG1 4.49Å; L1068-I1072 HydrophobicContact CD2-CD1 3.93Å; L1068-I1072 HydrophobicContact CD2-CG1 4.5Å; L1068-I1072 HydrophobicContact CG-CD1 3.77Å; L1068-I1072 HydrophobicContact CG-CG1 4.02Å; L1068-I1072 PolarHBondContact O-N 3.39Å; L1068-I1072 VanDerWaalsContact O-N 3.16Å |
| 1069 | M | 78.3 | Confident | 66.7 | Low | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -48.5 | -45.8 | -177.1 | -178 | -164.7 | -179.3 | 0 | 0 | 114.8 | F1055 A1065 H1071 I1072 I1073 L1119 L1122 L1123 | F1055-M1069 HydrophobicContact CZ-CB 4.16Å; F1055-M1069 HydrophobicContact CZ-CG 4.34Å; F1055-M1069 HydrophobicContact CZ-SD 4.15Å; A1065-M1069 WeakPolarHBondContact O-CB 3.22Å; A1065-M1069 PolarHBondContact O-N 3.43Å; M1069-H1071 VanDerWaalsContact C-N 3.29Å; M1069-H1071 PolarHBondContact O-N 3Å; M1069-I1072 PolarHBondContact O-N 2.98Å; M1069-I1073 HydrophobicContact CG-CG1 4.4Å; M1069-I1073 WeakPolarHBondContact O-CG1 3.37Å; M1069-I1073 PolarHBondContact O-N 3.47Å; M1069-L1119 HydrophobicContact CE-CB 4.1Å; M1069-L1119 HydrophobicContact CE-CD2 3.48Å; M1069-L1119 VanDerWaalsContact CE-CD2 3.48Å; M1069-L1119 HydrophobicContact CE-CG 4.41Å; M1069-L1122 HydrophobicContact CE-CB 3.97Å; M1069-L1122 HydrophobicContact CE-CD1 4.39Å; M1069-L1122 HydrophobicContact SD-CB 4.02Å; M1069-L1123 HydrophobicContact CE-CD1 4.45Å; M1069-L1123 HydrophobicContact CE-CD2 4.23Å; M1069-L1123 HydrophobicContact CE-CG 3.87Å; M1069-L1123 HydrophobicContact CG-CD2 4.17Å; M1069-L1123 HydrophobicContact SD-CD2 4.06Å; M1069-L1123 HydrophobicContact SD-CG 4.23Å |
| 1070 | P | 77 | Confident | 67.5 | Low | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -37.9 | 177.8 | -21.1 | 32.4 | 0 | 0 | 0 | 112.7 | L1066 Y1067 L1068 I1073 D1074 L1123 V1149 Y1150 | L1066-P1070 WeakPolarHBondContact O-CD 3.2Å; Y1067-P1070 WeakPolarHBondContact O-CD 3.44Å; L1068-P1070 VanDerWaalsContact C-CD 3.47Å; P1070-I1073 PolarHBondContact O-N 2.82Å; P1070-D1074 VanDerWaalsContact O-CB 3.26Å; P1070-D1074 WeakPolarHBondContact O-CB 3.41Å; P1070-D1074 PolarHBondContact O-N 2.93Å; P1070-L1123 HydrophobicContact CB-CD2 4.1Å; P1070-L1123 HydrophobicContact CG-CD2 3.88Å; P1070-V1149 HydrophobicContact CB-CG1 3.67Å; P1070-V1149 WeakPolarHBondContact O-CG1 3.47Å; P1070-Y1150 HydrophobicContact CB-CE1 4.05Å; P1070-Y1150 HydrophobicContact CG-CE1 3.86Å; P1070-Y1150 WeakPolarHBondContact CG-OH 3.19Å |
| 1071 | H | 73.8 | Confident | 68.2 | Low | 20 Ų | 20 | 31.5 Ų | 31.5 | 9% | 0.093 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.7 | -39.4 | 179.1 | -65.2 | -77.4 | 0 | 0 | 0 | 112 | L1068 M1069 N1075 Q1146 | L1068-H1071 HydrophobicContact CD1-CB 4.41Å; L1068-H1071 WeakPolarHBondContact O-CB 3.31Å; L1068-H1071 PolarHBondContact O-N 3.14Å; M1069-H1071 VanDerWaalsContact C-N 3.29Å; M1069-H1071 PolarHBondContact O-N 3Å; H1071-N1075 WeakPolarHBondContact O-CB 3.34Å; H1071-N1075 PolarHBondContact O-N 3.08Å; H1071-N1075 PolarHBondContact O-ND2 2.92Å; H1071-Q1146 WeakPolarHBondContact NE2-CG 3.37Å |
| 1072 | I | 73.2 | Confident | 68.7 | Low | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.1 | -50.5 | 174 | -64.2 | 167.1 | 0 | 0 | 0 | 109.8 | F1028 L1047 Y1050 L1051 L1054 L1068 M1069 N1075 C1076 | F1028-I1072 HydrophobicContact CE2-CG2 4.28Å; L1047-I1072 HydrophobicContact CD1-CG2 3.86Å; Y1050-I1072 HydrophobicContact CE1-CD1 3.92Å; Y1050-I1072 HydrophobicContact CE1-CG1 4.45Å; Y1050-I1072 HydrophobicContact CE1-CG2 4.31Å; L1051-I1072 HydrophobicContact CD2-CD1 4.02Å; L1051-I1072 HydrophobicContact CD2-CG2 4.19Å; L1054-I1072 HydrophobicContact CD2-CD1 3.51Å; L1068-I1072 HydrophobicContact CD1-CG1 4.49Å; L1068-I1072 HydrophobicContact CD2-CD1 3.93Å; L1068-I1072 HydrophobicContact CD2-CG1 4.5Å; L1068-I1072 HydrophobicContact CG-CD1 3.77Å; L1068-I1072 HydrophobicContact CG-CG1 4.02Å; L1068-I1072 PolarHBondContact O-N 3.39Å; L1068-I1072 VanDerWaalsContact O-N 3.16Å; M1069-I1072 PolarHBondContact O-N 2.98Å; I1072-N1075 PolarHBondContact O-N 3.35Å; I1072-C1076 PolarHBondContact O-N 3.07Å; I1072-C1076 PolarHBondContact O-SG 3.43Å |
| 1073 | I | 74.7 | Confident | 69.1 | Low | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | -177.3 | -63 | -62.3 | 0 | 0 | 0 | 112 | L1047 L1051 M1069 P1070 C1076 L1077 L1119 L1123 L1153 W1158 | L1047-I1073 HydrophobicContact CD2-CD1 4.47Å; L1051-I1073 HydrophobicContact CD1-CD1 4.19Å; M1069-I1073 HydrophobicContact CG-CG1 4.4Å; M1069-I1073 WeakPolarHBondContact O-CG1 3.37Å; M1069-I1073 PolarHBondContact O-N 3.47Å; P1070-I1073 PolarHBondContact O-N 2.82Å; I1073-C1076 PolarHBondContact O-N 3.45Å; I1073-L1077 HydrophobicContact CG2-CD1 3.78Å; I1073-L1077 HydrophobicContact CG2-CG 4.33Å; I1073-L1077 WeakPolarHBondContact O-CB 3.37Å; I1073-L1077 VanDerWaalsContact O-CG 3.29Å; I1073-L1077 WeakPolarHBondContact O-CG 3.42Å; I1073-L1077 PolarHBondContact O-N 3.36Å; I1073-L1119 HydrophobicContact CD1-CD1 4.12Å; I1073-L1119 HydrophobicContact CD1-CD2 4.33Å; I1073-L1123 HydrophobicContact CG1-CD1 4.49Å; I1073-L1123 HydrophobicContact CG2-CD1 4.25Å; I1073-L1153 HydrophobicContact CG2-CD2 4.14Å; I1073-W1158 HydrophobicContact CG2-CE3 3.91Å; I1073-W1158 HydrophobicContact CG2-CH2 4.26Å; I1073-W1158 HydrophobicContact CG2-CZ3 3.72Å |
| 1074 | D | 73.3 | Confident | 69.2 | Low | 9 Ų | 9 | 25 Ų | 25 | 5% | 0.048 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.3 | -46.9 | 174.1 | -176.7 | 60.3 | 0 | 0 | 0 | 111.6 | P1070 C1076 L1077 I1078 V1149 R1152 | P1070-D1074 VanDerWaalsContact O-CB 3.26Å; P1070-D1074 WeakPolarHBondContact O-CB 3.41Å; P1070-D1074 PolarHBondContact O-N 2.93Å; D1074-C1076 VanDerWaalsContact C-N 3.34Å; D1074-C1076 PolarHBondContact O-N 3Å; D1074-L1077 PolarHBondContact O-N 2.87Å; D1074-I1078 WeakPolarHBondContact O-CD1 3.25Å; D1074-I1078 VanDerWaalsContact O-CG1 3.22Å; D1074-I1078 WeakPolarHBondContact O-CG1 3.43Å; D1074-I1078 PolarHBondContact O-N 3.34Å; D1074-V1149 HydrophobicContact CB-CG1 3.88Å; D1074-V1149 HydrophobicContact CB-CG2 4.26Å; D1074-R1152 VanDerWaalsContact CG-NH1 3.32Å; D1074-R1152 IonicContact OD1-CZ 2.8Å; D1074-R1152 IonicContact OD1-NE 3.83Å; D1074-R1152 IonicContact OD1-NH1 3.65Å; D1074-R1152 PolarHBondContact OD1-NH1 3.12Å; D1074-R1152 IonicContact OD1-NH2 3.73Å; D1074-R1152 IonicContact OD2-CZ 3.88Å; D1074-R1152 IonicContact OD2-NH1 3.82Å; D1074-R1152 PolarHBondContact OD2-NH1 3.43Å; D1074-R1152 IonicContact OD2-NH2 2.68Å; D1074-R1152 PolarHBondContact OD2-NH2 3.38Å |
| 1075 | N | 69.9 | Low | 68.5 | Low | 33 Ų | 33 | 27.3 Ų | 27.3 | 18% | 0.176 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -40.1 | 175.3 | -68.4 | -14.2 | 0 | 0 | 0 | 111.9 | S1021 H1071 I1072 I1078 A1079 | S1021-N1075 PolarHBondContact O-ND2 2.9Å; S1021-N1075 PolarHBondContact OG-ND2 3Å; H1071-N1075 WeakPolarHBondContact O-CB 3.34Å; H1071-N1075 PolarHBondContact O-N 3.08Å; H1071-N1075 PolarHBondContact O-ND2 2.92Å; I1072-N1075 PolarHBondContact O-N 3.35Å; N1075-I1078 PolarHBondContact O-N 3.42Å; N1075-A1079 WeakPolarHBondContact O-CB 3.43Å; N1075-A1079 PolarHBondContact O-N 3.24Å |
| 1076 | C | 72.4 | Confident | 67.3 | Low | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -44 | 174.6 | -66 | 0 | 0 | 0 | 0 | 112.2 | F1028 L1047 I1072 I1073 D1074 I1078 A1079 F1080 L1083 | F1028-C1076 WeakPolarHBondContact CE2-SG 3.44Å; F1028-C1076 VanDerWaalsContact CZ-SG 3.54Å; L1047-C1076 HydrophobicContact CD2-CB 4.28Å; I1072-C1076 PolarHBondContact O-N 3.07Å; I1072-C1076 PolarHBondContact O-SG 3.43Å; I1073-C1076 PolarHBondContact O-N 3.45Å; D1074-C1076 VanDerWaalsContact C-N 3.34Å; D1074-C1076 PolarHBondContact O-N 3Å; C1076-I1078 VanDerWaalsContact C-N 3.28Å; C1076-I1078 PolarHBondContact O-N 3.45Å; C1076-A1079 PolarHBondContact O-N 3.14Å; C1076-F1080 WeakPolarHBondContact O-CA 3.17Å; C1076-F1080 PolarHBondContact O-N 3.18Å; C1076-L1083 HydrophobicContact CB-CD2 4.38Å |
| 1077 | L | 70.8 | Confident | 65.9 | Low | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.1 | -15.1 | -179.4 | -69.8 | 170 | 0 | 0 | 0 | 114 | I1073 D1074 L1153 W1158 | I1073-L1077 HydrophobicContact CG2-CD1 3.78Å; I1073-L1077 HydrophobicContact CG2-CG 4.33Å; I1073-L1077 WeakPolarHBondContact O-CB 3.37Å; I1073-L1077 VanDerWaalsContact O-CG 3.29Å; I1073-L1077 WeakPolarHBondContact O-CG 3.42Å; I1073-L1077 PolarHBondContact O-N 3.36Å; D1074-L1077 PolarHBondContact O-N 2.87Å; L1077-L1153 HydrophobicContact CD1-CD2 3.68Å; L1077-W1158 HydrophobicContact CD1-CD2 3.89Å; L1077-W1158 HydrophobicContact CD1-CE3 4.5Å; L1077-W1158 HydrophobicContact CD1-CG 4.06Å; L1077-W1158 HydrophobicContact CD1-CZ2 4.3Å; L1077-W1158 HydrophobicContact CD2-CZ2 3.9Å |
| 1078 | I | 70.5 | Confident | 64.3 | Low | 102 Ų | 102 | 38.1 Ų | 38.1 | 52% | 0.523 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -83.2 | -44.9 | 170.2 | -69.4 | 162.7 | 0 | 0 | 0 | 110.4 | D1074 N1075 C1076 | D1074-I1078 WeakPolarHBondContact O-CD1 3.25Å; D1074-I1078 VanDerWaalsContact O-CG1 3.22Å; D1074-I1078 WeakPolarHBondContact O-CG1 3.43Å; D1074-I1078 PolarHBondContact O-N 3.34Å; N1075-I1078 PolarHBondContact O-N 3.42Å; C1076-I1078 VanDerWaalsContact C-N 3.28Å; C1076-I1078 PolarHBondContact O-N 3.45Å |
| 1079 | A | 68 | Low | 62.7 | Low | 22 Ų | 22 | 42.5 Ų | 42.5 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.1 | -38 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1028 N1075 C1076 | F1028-A1079 HydrophobicContact CB-CB 4.04Å; N1075-A1079 WeakPolarHBondContact O-CB 3.43Å; N1075-A1079 PolarHBondContact O-N 3.24Å; C1076-A1079 PolarHBondContact O-N 3.14Å |
| 1080 | F | 68.8 | Low | 60.6 | Low | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | trans | -133.2 | 81 | -176.9 | -58.5 | -88.2 | 0 | 0 | 0 | 111.2 | F1028 L1031 L1035 C1076 N1082 L1083 | F1028-F1080 HydrophobicContact CB-CE2 4.3Å; F1028-F1080 HydrophobicContact CD1-CE2 4.19Å; L1031-F1080 HydrophobicContact CB-CE2 4.16Å; L1031-F1080 HydrophobicContact CB-CZ 3.61Å; L1035-F1080 HydrophobicContact CD2-CD1 4.23Å; L1035-F1080 HydrophobicContact CD2-CE1 4.37Å; C1076-F1080 WeakPolarHBondContact O-CA 3.17Å; C1076-F1080 PolarHBondContact O-N 3.18Å; F1080-N1082 PolarHBondContact O-N 3.48Å; F1080-N1082 VanDerWaalsContact O-N 3.11Å; F1080-L1083 HydrophobicContact CB-CB 3.72Å; F1080-L1083 HydrophobicContact CB-CD1 4.49Å; F1080-L1083 HydrophobicContact CB-CD2 4.47Å; F1080-L1083 HydrophobicContact CB-CG 4.46Å; F1080-L1083 WeakPolarHBondContact O-CB 3.48Å; F1080-L1083 PolarHBondContact O-N 2.82Å | ||
| 1081 | P | 64.3 | Low | 58.6 | Low | 78 Ų | 78 | 53.4 Ų | 53.4 | 51% | 0.506 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29.4 | 176.1 | -25.8 | 35.4 | 0 | 0 | 0 | 113.5 | ||
| 1082 | N | 61.2 | Low | 57.1 | Low | 117 Ų | 117 | 58.1 Ų | 58.1 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 14.6 | -175.3 | -61.1 | 1.6 | 0 | 0 | 0 | 113.2 | F1080 W1084 C1085 | F1080-N1082 PolarHBondContact O-N 3.48Å; F1080-N1082 VanDerWaalsContact O-N 3.11Å; N1082-W1084 PolarHBondContact O-N 3.47Å; N1082-C1085 PolarHBondContact O-N 3.26Å; N1082-C1085 PolarHBondContact O-SG 2.96Å |
| 1083 | L | 61.5 | Low | 55.1 | Low | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -26.5 | 178.5 | -171.8 | 57.2 | 0 | 0 | 0 | 113 | V1040 S1043 R1044 L1047 C1076 F1080 | V1040-L1083 HydrophobicContact CG1-CD1 4.07Å; S1043-L1083 VanDerWaalsContact OG-CD1 3.29Å; S1043-L1083 WeakPolarHBondContact OG-CD1 3.44Å; R1044-L1083 HydrophobicContact CB-CD1 3.95Å; L1047-L1083 HydrophobicContact CD2-CD2 3.78Å; C1076-L1083 HydrophobicContact CB-CD2 4.38Å; F1080-L1083 HydrophobicContact CB-CB 3.72Å; F1080-L1083 HydrophobicContact CB-CD1 4.49Å; F1080-L1083 HydrophobicContact CB-CD2 4.47Å; F1080-L1083 HydrophobicContact CB-CG 4.46Å; F1080-L1083 WeakPolarHBondContact O-CB 3.48Å; F1080-L1083 PolarHBondContact O-N 2.82Å |
| 1084 | W | 60.2 | Low | 53.5 | Low | 30 Ų | 30 | 63.5 Ų | 63.5 | 11% | 0.114 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | 73.1 | 178.9 | -46.6 | 93.6 | 0 | 0 | 0 | 108.6 | R1044 L1047 I1048 N1082 V1087 I1115 T1116 L1119 W1158 | R1044-W1084 HydrophobicContact CG-CE3 4.43Å; R1044-W1084 HydrophobicContact CG-CH2 3.66Å; R1044-W1084 HydrophobicContact CG-CZ2 4.19Å; R1044-W1084 HydrophobicContact CG-CZ3 3.8Å; L1047-W1084 HydrophobicContact CD2-CZ2 4.24Å; I1048-W1084 HydrophobicContact CD1-CH2 4.41Å; N1082-W1084 PolarHBondContact O-N 3.47Å; W1084-V1087 HydrophobicContact CB-CG2 3.65Å; W1084-I1115 HydrophobicContact CH2-CB 4.45Å; W1084-I1115 HydrophobicContact CH2-CG2 3.86Å; W1084-T1116 VanDerWaalsContact CZ3-OG1 3.27Å; W1084-T1116 WeakPolarHBondContact CZ3-OG1 3.33Å; W1084-L1119 HydrophobicContact CH2-CD1 4.5Å; W1084-L1119 HydrophobicContact CZ2-CD1 4.04Å; W1084-W1158 AromaticContact CD1-CH2 3.99Å; W1084-W1158 AromaticContact CD1-CZ2 3.58Å; W1084-W1158 HydrophobicContact CG-CZ2 4.15Å; W1084-W1158 AromaticContact NE1-CH2 3.94Å |
| 1085 | C | 46.1 | Very low | 51.8 | Low | 70 Ų | 70 | 69.2 Ų | 69.2 | 47% | 0.473 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 141 | 172.7 | -69.7 | 0 | 0 | 0 | 0 | 111 | N1082 V1087 | N1082-C1085 PolarHBondContact O-N 3.26Å; N1082-C1085 PolarHBondContact O-SG 2.96Å; C1085-V1087 VanDerWaalsContact C-N 3.26Å; C1085-V1087 PolarHBondContact O-N 3.19Å; C1085-V1087 VanDerWaalsContact O-N 3.15Å |
| 1086 | N | 40.5 | Very low | 50 | Low | 104 Ų | 104 | 74.6 Ų | 74.6 | 56% | 0.556 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 25.9 | 167.2 | -45.6 | -49.2 | 0 | 0 | 0 | 115.9 | E1088 F1110 | N1086-E1088 PolarHBondContact O-N 2.96Å; N1086-F1110 HydrophobicContact CB-CD1 4.14Å; N1086-F1110 WeakPolarHBondContact ND2-CD1 3.48Å |
| 1087 | V | 39.9 | Very low | 48.3 | Very low | 43 Ų | 43 | 80.3 Ų | 80.3 | 26% | 0.261 | 41% | 0.408 | S | S | . | . | trans | -79.6 | 90.2 | 171 | -168.7 | 0 | 0 | 0 | 0 | 110 | W1084 C1085 T1116 K1120 | W1084-V1087 HydrophobicContact CB-CG2 3.65Å; C1085-V1087 VanDerWaalsContact C-N 3.26Å; C1085-V1087 PolarHBondContact O-N 3.19Å; C1085-V1087 VanDerWaalsContact O-N 3.15Å; V1087-T1116 HydrophobicContact CB-CG2 4.44Å; V1087-T1116 HydrophobicContact CG1-CG2 3.81Å; V1087-T1116 HydrophobicContact CG2-CG2 4.18Å; V1087-K1120 VanDerWaalsContact CG1-NZ 3.3Å; V1087-K1120 PolarHBondContact O-NZ 3.47Å | ||
| 1088 | E | 34.9 | Very low | 46.9 | Very low | 141 Ų | 141 | 82.4 Ų | 82.4 | 66% | 0.659 | 42% | 0.424 | S | S | * | . | trans | -51.7 | 156 | 174 | -62.7 | -168 | 106.3 | 0 | 0 | 112 | N1086 E1093 K1120 | N1086-E1088 PolarHBondContact O-N 2.96Å; E1088-E1093 VanDerWaalsContact CB-OE2 3.28Å; E1088-E1093 WeakPolarHBondContact CB-OE2 3.33Å; E1088-K1120 PolarHBondContact O-NZ 2.79Å; E1088-K1120 VanDerWaalsContact O-NZ 3.13Å | ||
| 1089 | L | 37.3 | Very low | 45.3 | Very low | 93 Ų | 93 | 82.3 Ų | 82.3 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | trans | -75.6 | 143.5 | -173.5 | -73.3 | 99.2 | 0 | 0 | 0 | 109.3 | K1091 G1157 | L1089-K1091 PolarHBondContact O-N 3.16Å; L1089-G1157 WeakPolarHBondContact CD2-O 3.47Å | ||
| 1090 | I | 35.1 | Very low | 43.4 | Very low | 69 Ų | 69 | 84.9 Ų | 84.9 | 35% | 0.354 | 44% | 0.438 | S | S | . | . | trans | -70.4 | 78.9 | 175.1 | -53.7 | 176.2 | 0 | 0 | 0 | 109.6 | I1094 K1120 | I1090-I1094 HydrophobicContact CG2-CD1 3.8Å; I1090-I1094 HydrophobicContact CG2-CG1 3.99Å; I1090-K1120 HydrophobicContact CD1-CB 3.86Å; I1090-K1120 HydrophobicContact CD1-CD 3.84Å; I1090-K1120 HydrophobicContact CD1-CG 4.49Å; I1090-K1120 HydrophobicContact CG1-CD 4.15Å | ||
| 1091 | K | 34.6 | Very low | 41.7 | Very low | 161 Ų | 161 | 89.2 Ų | 89.2 | 70% | 0.7 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -111 | 75.9 | 162.2 | -75.5 | -175 | 173.8 | -178.2 | 0 | 106.6 | L1089 E1093 | L1089-K1091 PolarHBondContact O-N 3.16Å; K1091-E1093 PolarHBondContact O-N 3.15Å |
| 1092 | D | 40.7 | Very low | 40.3 | Very low | 118 Ų | 118 | 90 Ų | 90 | 63% | 0.631 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 63.3 | -0.3 | 168.4 | -45.1 | -45.1 | 0 | 0 | 0 | 116.6 | I1094 E1095 | D1092-I1094 PolarHBondContact O-N 3.01Å; D1092-E1095 WeakPolarHBondContact O-CB 3.47Å; D1092-E1095 PolarHBondContact O-N 3.36Å |
| 1093 | E | 32.7 | Very low | 38.7 | Very low | 66 Ų | 66 | 89.8 Ų | 89.8 | 31% | 0.308 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.5 | -19.5 | 174.9 | -80.6 | 156.7 | -154 | 0 | 0 | 115.5 | E1088 K1091 E1095 F1096 H1097 | E1088-E1093 VanDerWaalsContact CB-OE2 3.28Å; E1088-E1093 WeakPolarHBondContact CB-OE2 3.33Å; K1091-E1093 PolarHBondContact O-N 3.15Å; E1093-E1095 PolarHBondContact O-N 3.12Å; E1093-E1095 VanDerWaalsContact O-N 3.16Å; E1093-F1096 WeakPolarHBondContact O-CB 3.48Å; E1093-F1096 PolarHBondContact O-N 2.96Å; E1093-H1097 PolarHBondContact O-N 3.44Å |
| 1094 | I | 39.8 | Very low | 37.3 | Very low | 50 Ų | 50 | 94.3 Ų | 94.3 | 26% | 0.256 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.2 | -2.5 | 170.5 | -17.6 | 179.5 | 0 | 0 | 0 | 112.2 | I1090 D1092 F1112 T1117 R1190 | I1090-I1094 HydrophobicContact CG2-CD1 3.8Å; I1090-I1094 HydrophobicContact CG2-CG1 3.99Å; D1092-I1094 PolarHBondContact O-N 3.01Å; I1094-F1112 HydrophobicContact CG2-CZ 4.49Å; I1094-T1117 HydrophobicContact CD1-CG2 4.13Å; I1094-R1190 VanDerWaalsContact CG2-NH1 3.28Å; I1094-R1190 VanDerWaalsContact O-CZ 3.25Å; I1094-R1190 PolarHBondContact O-NH1 3.42Å; I1094-R1190 PolarHBondContact O-NH2 2.82Å |
| 1095 | E | 39.5 | Very low | 35.9 | Very low | 129 Ų | 129 | 99.9 Ų | 99.9 | 60% | 0.603 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -95.8 | -34.9 | 161.3 | -58.9 | -168.2 | 151.5 | 0 | 0 | 111.2 | D1092 E1093 H1097 S1098 | D1092-E1095 WeakPolarHBondContact O-CB 3.47Å; D1092-E1095 PolarHBondContact O-N 3.36Å; E1093-E1095 PolarHBondContact O-N 3.12Å; E1093-E1095 VanDerWaalsContact O-N 3.16Å; E1095-H1097 PolarHBondContact O-N 2.91Å; E1095-S1098 WeakPolarHBondContact O-CB 3.27Å; E1095-S1098 PolarHBondContact O-N 3.49Å; E1095-S1098 PolarHBondContact O-OG 2.84Å |
| 1096 | F | 30.5 | Very low | 35.3 | Very low | 145 Ų | 145 | 102.7 Ų | 102.7 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.2 | -46.2 | -177.8 | -133.5 | -87.8 | 0 | 0 | 0 | 113.3 | E1093 S1098 L1099 | E1093-F1096 WeakPolarHBondContact O-CB 3.48Å; E1093-F1096 PolarHBondContact O-N 2.96Å; F1096-S1098 PolarHBondContact O-N 2.87Å; F1096-S1098 VanDerWaalsContact O-N 3.12Å; F1096-L1099 PolarHBondContact O-N 3.18Å |
| 1097 | H | 37.4 | Very low | 35 | Very low | 122 Ų | 122 | 104.6 Ų | 104.6 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -8.2 | 174.5 | -73.9 | -35 | 0 | 0 | 0 | 114.4 | E1093 E1095 F1112 | E1093-H1097 PolarHBondContact O-N 3.44Å; E1095-H1097 PolarHBondContact O-N 2.91Å; H1097-F1112 AromaticContact CD2-CD2 3.58Å; H1097-F1112 AromaticContact CD2-CG 3.72Å; H1097-F1112 AromaticContact NE2-CD2 3.82Å; H1097-F1112 AromaticContact NE2-CG 3.89Å |
| 1098 | S | 42.2 | Very low | 34.6 | Very low | 55 Ų | 55 | 109 Ų | 109 | 39% | 0.385 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | -7.7 | 170.9 | 68.6 | 0 | 0 | 0 | 0 | 114 | E1095 F1096 | E1095-S1098 WeakPolarHBondContact O-CB 3.27Å; E1095-S1098 PolarHBondContact O-N 3.49Å; E1095-S1098 PolarHBondContact O-OG 2.84Å; F1096-S1098 PolarHBondContact O-N 2.87Å; F1096-S1098 VanDerWaalsContact O-N 3.12Å |
| 1099 | L | 36.2 | Very low | 34.6 | Very low | 101 Ų | 101 | 109.5 Ų | 109.5 | 53% | 0.529 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | -20 | -178.4 | -78.9 | 154.3 | 0 | 0 | 0 | 114 | F1096 I1203 | F1096-L1099 PolarHBondContact O-N 3.18Å; L1099-I1203 HydrophobicContact CD2-CD1 3.83Å; L1099-I1203 HydrophobicContact CD2-CG1 4.31Å |
| 1100 | T | 28.7 | Very low | 34.6 | Very low | 76 Ų | 76 | 111.5 Ų | 111.5 | 47% | 0.466 | 59% | 0.591 | S | S | . | * | trans | -139.7 | 76.5 | -176.6 | 41.8 | 0 | 0 | 0 | 0 | 115 | A1102 | T1100-A1102 PolarHBondContact O-N 3.3Š| ||
| 1101 | P | 33.2 | Very low | 35.3 | Very low | 95 Ų | 95 | 111.6 Ų | 111.6 | 62% | 0.617 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -17.7 | 162 | -16.1 | 30.9 | 0 | 0 | 0 | 113.4 | ||
| 1102 | A | 33.8 | Very low | 36.2 | Very low | 94 Ų | 94 | 107.5 Ų | 107.5 | 78% | 0.777 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 2 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T1100 | T1100-A1102 PolarHBondContact O-N 3.3Š|
| 1103 | V | 29.1 | Very low | 37.4 | Very low | 113 Ų | 113 | 102 Ų | 102 | 69% | 0.685 | 55% | 0.551 | S | S | * | * | trans | -127.6 | 65 | 176.3 | -167.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1104 | V | 32.1 | Very low | 39.3 | Very low | 106 Ų | 106 | 102 Ų | 102 | 64% | 0.642 | 55% | 0.549 | S | S | * | . | trans | -119.7 | 57.9 | 167.1 | -168.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1105 | D | 30 | Very low | 40.9 | Very low | 147 Ų | 147 | 99.9 Ų | 99.9 | 79% | 0.786 | 54% | 0.538 | S | S | * | . | trans | -69.5 | 143.6 | 160.4 | -98.7 | -45.2 | 0 | 0 | 0 | 108.9 | N1107 | D1105-N1107 PolarHBondContact O-N 3.2Å; D1105-N1107 VanDerWaalsContact O-N 3.12Å | ||
| 1106 | N | 34 | Very low | 42.3 | Very low | 128 Ų | 128 | 93.7 Ų | 93.7 | 68% | 0.684 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 112.7 | -165 | -51.6 | -83.8 | 0 | 0 | 0 | 112.1 | ||
| 1107 | N | 33.1 | Very low | 44.3 | Very low | 145 Ų | 145 | 87.1 Ų | 87.1 | 78% | 0.775 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | 175.5 | -25.2 | 124.3 | -86.4 | -32.2 | 0 | 0 | 0 | 113.9 | D1105 H1109 | D1105-N1107 PolarHBondContact O-N 3.2Å; D1105-N1107 VanDerWaalsContact O-N 3.12Å; N1107-H1109 PolarHBondContact O-N 2.69Å | |
| 1108 | D | 31.7 | Very low | 46.2 | Very low | 136 Ų | 136 | 81.3 Ų | 81.3 | 73% | 0.727 | 45% | 0.454 | S | S | * | . | trans | -78.4 | 60.1 | -176.9 | -74.4 | -35.7 | 0 | 0 | 0 | 112.9 | F1110 | D1108-F1110 HydrophobicContact CB-CD2 4.11Å; D1108-F1110 HydrophobicContact CB-CE2 4.47Å; D1108-F1110 PolarHBondContact O-N 3.02Å | ||
| 1109 | H | 34.6 | Very low | 48 | Very low | 150 Ų | 150 | 78.8 Ų | 78.8 | 69% | 0.694 | 44% | 0.436 | S | S | * | . | trans | -73.5 | 51.3 | 169.3 | -77.1 | -55 | 0 | 0 | 0 | 112.2 | N1107 S1111 | N1107-H1109 PolarHBondContact O-N 2.69Å; H1109-S1111 PolarHBondContact O-N 2.83Å | ||
| 1110 | F | 38.2 | Very low | 49.8 | Very low | 136 Ų | 136 | 74.4 Ų | 74.4 | 60% | 0.596 | 41% | 0.413 | S | S | * | . | trans | -71.1 | 84 | 164.1 | -70.8 | -69.3 | 0 | 0 | 0 | 108.1 | N1086 D1108 F1112 | N1086-F1110 HydrophobicContact CB-CD1 4.14Å; N1086-F1110 WeakPolarHBondContact ND2-CD1 3.48Å; D1108-F1110 HydrophobicContact CB-CD2 4.11Å; D1108-F1110 HydrophobicContact CB-CE2 4.47Å; D1108-F1110 PolarHBondContact O-N 3.02Å; F1110-F1112 PolarHBondContact O-N 3.09Å; F1110-F1112 VanDerWaalsContact O-N 3.16Å | ||
| 1111 | S | 50.4 | Low | 52.1 | Low | 70 Ų | 70 | 71.4 Ų | 71.4 | 49% | 0.49 | 39% | 0.394 | S | S | . | . | trans | -76.4 | 105.1 | -149.6 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | H1109 S1113 | H1109-S1111 PolarHBondContact O-N 2.83Å; S1111-S1113 PolarHBondContact O-N 3.39Å | ||
| 1112 | F | 52.6 | Low | 54.3 | Low | 75 Ų | 75 | 67 Ų | 67 | 33% | 0.329 | 37% | 0.365 | S | S | . | . | trans | -56.5 | 118.3 | 161.4 | 178.5 | -89.5 | 0 | 0 | 0 | 110.4 | I1094 H1097 F1110 Y1114 T1117 | I1094-F1112 HydrophobicContact CG2-CZ 4.49Å; H1097-F1112 AromaticContact CD2-CD2 3.58Å; H1097-F1112 AromaticContact CD2-CG 3.72Å; H1097-F1112 AromaticContact NE2-CD2 3.82Å; H1097-F1112 AromaticContact NE2-CG 3.89Å; F1110-F1112 PolarHBondContact O-N 3.09Å; F1110-F1112 VanDerWaalsContact O-N 3.16Å; F1112-Y1114 HydrophobicContact CE1-CD1 4.05Å; F1112-Y1114 HydrophobicContact CE1-CE1 4.09Å; F1112-Y1114 HydrophobicContact CE1-CG 4.28Å; F1112-T1117 WeakPolarHBondContact CE2-OG1 3.27Å; F1112-T1117 HydrophobicContact CZ-CG2 4.32Å; F1112-T1117 WeakPolarHBondContact CZ-OG1 3.43Å | ||
| 1113 | S | 66.7 | Low | 56.4 | Low | 4 Ų | 4 | 62.5 Ų | 62.5 | 3% | 0.028 | 33% | 0.328 | C | S | . | . | trans | -102.1 | 128.3 | 173.8 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | S1111 I1115 T1116 T1117 D1222 | S1111-S1113 PolarHBondContact O-N 3.39Å; S1113-I1115 PolarHBondContact O-N 3.14Å; S1113-I1115 PolarHBondContact OG-N 2.93Å; S1113-I1115 VanDerWaalsContact OG-N 3.15Å; S1113-T1116 PolarHBondContact O-N 3.43Å; S1113-T1116 PolarHBondContact OG-N 3.03Å; S1113-T1117 PolarHBondContact O-N 3.27Å; S1113-T1117 PolarHBondContact O-OG1 3.16Å; S1113-T1117 VanDerWaalsContact O-OG1 3.1Å; S1113-D1222 PolarHBondContact OG-OD1 3.23Å; S1113-D1222 PolarHBondContact OG-OD2 3.38Å | ||
| 1114 | Y | 71.9 | Confident | 58.7 | Low | 66 Ų | 66 | 57.9 Ų | 57.9 | 26% | 0.259 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | 170.8 | -68.8 | -85.9 | 0 | 0 | 0 | 110.5 | F1112 T1117 A1118 L1191 T1194 D1222 I1223 S1226 | F1112-Y1114 HydrophobicContact CE1-CD1 4.05Å; F1112-Y1114 HydrophobicContact CE1-CE1 4.09Å; F1112-Y1114 HydrophobicContact CE1-CG 4.28Å; Y1114-T1117 WeakPolarHBondContact O-CB 3.4Å; Y1114-T1117 PolarHBondContact O-N 3.04Å; Y1114-A1118 PolarHBondContact O-N 2.8Å; Y1114-L1191 HydrophobicContact CD1-CD2 3.75Å; Y1114-L1191 HydrophobicContact CG-CD2 4.17Å; Y1114-T1194 HydrophobicContact CE1-CG2 4.26Å; Y1114-D1222 WeakPolarHBondContact CA-OD2 3.29Å; Y1114-D1222 WeakPolarHBondContact CB-OD2 3.33Å; Y1114-D1222 PolarHBondContact N-OD2 2.95Å; Y1114-I1223 HydrophobicContact CD1-CG1 4.43Å; Y1114-I1223 HydrophobicContact CD2-CD1 4.36Å; Y1114-I1223 HydrophobicContact CD2-CG1 3.51Å; Y1114-I1223 HydrophobicContact CE2-CD1 4.05Å; Y1114-I1223 HydrophobicContact CE2-CG1 3.69Å; Y1114-I1223 HydrophobicContact CG-CG1 3.91Å; Y1114-S1226 WeakPolarHBondContact CB-OG 3.39Å; Y1114-S1226 PolarHBondContact O-OG 2.96Å |
| 1115 | I | 73.4 | Confident | 61 | Low | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.3 | -49.3 | 177.8 | -66.9 | 179.1 | 0 | 0 | 0 | 110.3 | I1048 W1084 S1113 T1117 A1118 L1119 D1222 S1226 | I1048-I1115 HydrophobicContact CB-CD1 4.34Å; I1048-I1115 HydrophobicContact CD1-CD1 3.35Å; I1048-I1115 HydrophobicContact CD1-CG2 4.49Å; I1048-I1115 HydrophobicContact CG1-CD1 3.64Å; I1048-I1115 HydrophobicContact CG1-CG2 4.07Å; I1048-I1115 HydrophobicContact CG2-CD1 3.73Å; W1084-I1115 HydrophobicContact CH2-CB 4.45Å; W1084-I1115 HydrophobicContact CH2-CG2 3.86Å; S1113-I1115 PolarHBondContact O-N 3.14Å; S1113-I1115 PolarHBondContact OG-N 2.93Å; S1113-I1115 VanDerWaalsContact OG-N 3.15Å; I1115-T1117 PolarHBondContact O-N 2.93Å; I1115-A1118 CarbonylContact O-C 3.56Å; I1115-A1118 WeakPolarHBondContact O-CA 3.3Å; I1115-A1118 WeakPolarHBondContact O-CB 3.28Å; I1115-A1118 PolarHBondContact O-N 3.11Å; I1115-L1119 HydrophobicContact CG2-CD1 3.93Å; I1115-L1119 HydrophobicContact CG2-CG 4.14Å; I1115-L1119 VanDerWaalsContact O-CG 3.3Å; I1115-L1119 WeakPolarHBondContact O-CG 3.36Å; I1115-L1119 PolarHBondContact O-N 3.1Å; I1115-D1222 HydrophobicContact CD1-CB 4.37Å; I1115-D1222 WeakPolarHBondContact CD1-OD1 3.2Å; I1115-D1222 HydrophobicContact CG1-CB 4.49Å; I1115-D1222 VanDerWaalsContact CG1-O 3.23Å; I1115-D1222 WeakPolarHBondContact CG1-O 3.45Å; I1115-D1222 PolarHBondContact N-OD2 3.47Å; I1115-S1226 VanDerWaalsContact CA-OG 3.26Å; I1115-S1226 WeakPolarHBondContact CA-OG 3.47Å; I1115-S1226 WeakPolarHBondContact CG1-OG 3.43Å; I1115-S1226 PolarHBondContact N-OG 3.47Å |
| 1116 | T | 68.3 | Low | 63.3 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -34.9 | 178.1 | -46.7 | 0 | 0 | 0 | 0 | 111.7 | W1084 V1087 S1113 L1119 K1120 W1158 | W1084-T1116 VanDerWaalsContact CZ3-OG1 3.27Å; W1084-T1116 WeakPolarHBondContact CZ3-OG1 3.33Å; V1087-T1116 HydrophobicContact CB-CG2 4.44Å; V1087-T1116 HydrophobicContact CG1-CG2 3.81Å; V1087-T1116 HydrophobicContact CG2-CG2 4.18Å; S1113-T1116 PolarHBondContact O-N 3.43Å; S1113-T1116 PolarHBondContact OG-N 3.03Å; T1116-L1119 PolarHBondContact O-N 3.44Å; T1116-K1120 HydrophobicContact CG2-CD 4.44Å; T1116-K1120 HydrophobicContact CG2-CG 4.39Å; T1116-K1120 WeakPolarHBondContact O-CB 3.34Å; T1116-K1120 WeakPolarHBondContact O-CG 3.46Å; T1116-K1120 PolarHBondContact O-N 2.95Å; T1116-W1158 HydrophobicContact CG2-CH2 3.79Å; T1116-W1158 HydrophobicContact CG2-CZ2 3.97Å; T1116-W1158 HydrophobicContact CG2-CZ3 4.37Å |
| 1117 | T | 72.1 | Confident | 65.2 | Low | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.6 | -40.2 | 174.5 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | I1094 F1112 S1113 Y1114 I1115 T1121 L1187 | I1094-T1117 HydrophobicContact CD1-CG2 4.13Å; F1112-T1117 WeakPolarHBondContact CE2-OG1 3.27Å; F1112-T1117 HydrophobicContact CZ-CG2 4.32Å; F1112-T1117 WeakPolarHBondContact CZ-OG1 3.43Å; S1113-T1117 PolarHBondContact O-N 3.27Å; S1113-T1117 PolarHBondContact O-OG1 3.16Å; S1113-T1117 VanDerWaalsContact O-OG1 3.1Å; Y1114-T1117 WeakPolarHBondContact O-CB 3.4Å; Y1114-T1117 PolarHBondContact O-N 3.04Å; I1115-T1117 PolarHBondContact O-N 2.93Å; T1117-T1121 VanDerWaalsContact O-CB 3.26Å; T1117-T1121 WeakPolarHBondContact O-CB 3.29Å; T1117-T1121 PolarHBondContact O-N 3.02Å; T1117-T1121 PolarHBondContact O-OG1 3.35Å; T1117-L1187 HydrophobicContact CG2-CD1 3.95Å |
| 1118 | A | 78.8 | Confident | 67.2 | Low | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1114 I1115 T1121 L1122 L1187 V1230 | Y1114-A1118 PolarHBondContact O-N 2.8Å; I1115-A1118 CarbonylContact O-C 3.56Å; I1115-A1118 WeakPolarHBondContact O-CA 3.3Å; I1115-A1118 WeakPolarHBondContact O-CB 3.28Å; I1115-A1118 PolarHBondContact O-N 3.11Å; A1118-T1121 PolarHBondContact O-N 3.39Å; A1118-L1122 WeakPolarHBondContact O-CB 3.42Å; A1118-L1122 WeakPolarHBondContact O-CG 3.42Å; A1118-L1122 PolarHBondContact O-N 3.39Å; A1118-L1187 HydrophobicContact CB-CD2 4.11Å; A1118-V1230 HydrophobicContact CB-CG2 3.82Å |
| 1119 | L | 78.6 | Confident | 69.2 | Low | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.8 | -51.8 | 176.8 | -64.4 | 174.4 | 0 | 0 | 0 | 111.4 | L1051 M1069 I1073 W1084 I1115 T1116 T1121 L1122 L1123 W1158 L1229 | L1051-L1119 HydrophobicContact CD1-CD2 3.69Å; M1069-L1119 HydrophobicContact CE-CB 4.1Å; M1069-L1119 HydrophobicContact CE-CD2 3.48Å; M1069-L1119 VanDerWaalsContact CE-CD2 3.48Å; M1069-L1119 HydrophobicContact CE-CG 4.41Å; I1073-L1119 HydrophobicContact CD1-CD1 4.12Å; I1073-L1119 HydrophobicContact CD1-CD2 4.33Å; W1084-L1119 HydrophobicContact CH2-CD1 4.5Å; W1084-L1119 HydrophobicContact CZ2-CD1 4.04Å; I1115-L1119 HydrophobicContact CG2-CD1 3.93Å; I1115-L1119 HydrophobicContact CG2-CG 4.14Å; I1115-L1119 VanDerWaalsContact O-CG 3.3Å; I1115-L1119 WeakPolarHBondContact O-CG 3.36Å; I1115-L1119 PolarHBondContact O-N 3.1Å; T1116-L1119 PolarHBondContact O-N 3.44Å; L1119-T1121 VanDerWaalsContact C-N 3.29Å; L1119-T1121 PolarHBondContact O-N 2.93Å; L1119-L1122 PolarHBondContact O-N 2.84Å; L1119-L1123 WeakPolarHBondContact O-CB 3.33Å; L1119-L1123 VanDerWaalsContact O-CG 3.28Å; L1119-L1123 WeakPolarHBondContact O-CG 3.25Å; L1119-L1123 PolarHBondContact O-N 3.23Å; L1119-W1158 HydrophobicContact CB-CZ3 4.05Å; L1119-W1158 HydrophobicContact CD1-CH2 4.39Å; L1119-W1158 HydrophobicContact CD1-CZ3 4.49Å; L1119-L1229 HydrophobicContact CD2-CD2 3.75Å; L1119-L1229 HydrophobicContact CG-CD2 4.49Å |
| 1120 | K | 74.5 | Confident | 71 | Confident | 9 Ų | 9 | 24.8 Ų | 24.8 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.2 | -40.1 | 176.2 | -72.9 | -176.4 | -178.1 | -175.2 | 0 | 111.5 | V1087 E1088 I1090 T1116 A1124 W1158 | V1087-K1120 VanDerWaalsContact CG1-NZ 3.3Å; V1087-K1120 PolarHBondContact O-NZ 3.47Å; E1088-K1120 PolarHBondContact O-NZ 2.79Å; E1088-K1120 VanDerWaalsContact O-NZ 3.13Å; I1090-K1120 HydrophobicContact CD1-CB 3.86Å; I1090-K1120 HydrophobicContact CD1-CD 3.84Å; I1090-K1120 HydrophobicContact CD1-CG 4.49Å; I1090-K1120 HydrophobicContact CG1-CD 4.15Å; T1116-K1120 HydrophobicContact CG2-CD 4.44Å; T1116-K1120 HydrophobicContact CG2-CG 4.39Å; T1116-K1120 WeakPolarHBondContact O-CB 3.34Å; T1116-K1120 WeakPolarHBondContact O-CG 3.46Å; T1116-K1120 PolarHBondContact O-N 2.95Å; K1120-A1124 WeakPolarHBondContact O-CB 3.48Å; K1120-A1124 PolarHBondContact O-N 3.39Å; K1120-W1158 HydrophobicContact CG-CD2 4.37Å; K1120-W1158 HydrophobicContact CG-CE3 3.95Å; K1120-W1158 HydrophobicContact CG-CZ3 4.36Å |
| 1121 | T | 76.4 | Confident | 72.5 | Confident | 14 Ų | 14 | 20 Ų | 20 | 9% | 0.086 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71 | -41.7 | -179.3 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | T1117 A1118 L1119 A1124 W1125 R1183 I1184 L1187 | T1117-T1121 VanDerWaalsContact O-CB 3.26Å; T1117-T1121 WeakPolarHBondContact O-CB 3.29Å; T1117-T1121 PolarHBondContact O-N 3.02Å; T1117-T1121 PolarHBondContact O-OG1 3.35Å; A1118-T1121 PolarHBondContact O-N 3.39Å; L1119-T1121 VanDerWaalsContact C-N 3.29Å; L1119-T1121 PolarHBondContact O-N 2.93Å; T1121-A1124 PolarHBondContact O-N 3.29Å; T1121-W1125 PolarHBondContact O-N 3.04Å; T1121-R1183 HydrophobicContact CG2-CB 4.34Å; T1121-I1184 HydrophobicContact CG2-CG1 3.7Å; T1121-L1187 HydrophobicContact CG2-CD2 4.26Å |
| 1122 | L | 80.1 | Confident | 73.3 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.3 | -42.9 | 175.7 | -72.9 | 170.2 | 0 | 0 | 0 | 111.4 | M1069 A1118 L1119 A1124 W1125 Q1126 I1184 L1229 A1233 M1234 | M1069-L1122 HydrophobicContact CE-CB 3.97Å; M1069-L1122 HydrophobicContact CE-CD1 4.39Å; M1069-L1122 HydrophobicContact SD-CB 4.02Å; A1118-L1122 WeakPolarHBondContact O-CB 3.42Å; A1118-L1122 WeakPolarHBondContact O-CG 3.42Å; A1118-L1122 PolarHBondContact O-N 3.39Å; L1119-L1122 PolarHBondContact O-N 2.84Å; L1122-A1124 PolarHBondContact O-N 3.32Å; L1122-W1125 PolarHBondContact O-N 3Å; L1122-Q1126 WeakPolarHBondContact O-CB 3.4Å; L1122-Q1126 PolarHBondContact O-N 3.38Å; L1122-I1184 HydrophobicContact CD2-CD1 4.37Å; L1122-L1229 HydrophobicContact CD1-CG 4.35Å; L1122-A1233 HydrophobicContact CD1-CB 4.05Å; L1122-A1233 HydrophobicContact CD2-CB 3.98Å; L1122-M1234 HydrophobicContact CD2-CG 3.85Å; L1122-M1234 HydrophobicContact CD2-SD 3.88Å |
| 1123 | L | 79.1 | Confident | 74.1 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 174.9 | -70.4 | 167.9 | 0 | 0 | 0 | 112.1 | M1069 P1070 I1073 L1119 W1125 Q1126 E1127 L1153 W1158 L1159 | M1069-L1123 HydrophobicContact CE-CD1 4.45Å; M1069-L1123 HydrophobicContact CE-CD2 4.23Å; M1069-L1123 HydrophobicContact CE-CG 3.87Å; M1069-L1123 HydrophobicContact CG-CD2 4.17Å; M1069-L1123 HydrophobicContact SD-CD2 4.06Å; M1069-L1123 HydrophobicContact SD-CG 4.23Å; P1070-L1123 HydrophobicContact CB-CD2 4.1Å; P1070-L1123 HydrophobicContact CG-CD2 3.88Å; I1073-L1123 HydrophobicContact CG1-CD1 4.49Å; I1073-L1123 HydrophobicContact CG2-CD1 4.25Å; L1119-L1123 WeakPolarHBondContact O-CB 3.33Å; L1119-L1123 VanDerWaalsContact O-CG 3.28Å; L1119-L1123 WeakPolarHBondContact O-CG 3.25Å; L1119-L1123 PolarHBondContact O-N 3.23Å; L1123-W1125 PolarHBondContact O-N 2.94Å; L1123-Q1126 PolarHBondContact O-N 3.18Å; L1123-E1127 PolarHBondContact O-N 2.82Å; L1123-L1153 HydrophobicContact CD1-CD1 4.43Å; L1123-W1158 HydrophobicContact CD1-CE3 4.03Å; L1123-W1158 HydrophobicContact CD1-CZ3 4.37Å; L1123-L1159 HydrophobicContact CB-CD2 4.19Å |
| 1124 | A | 75.5 | Confident | 74.1 | Confident | 16 Ų | 16 | 18.7 Ų | 18.7 | 13% | 0.132 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65 | -36.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1120 T1121 L1122 A1128 L1159 | K1120-A1124 WeakPolarHBondContact O-CB 3.48Å; K1120-A1124 PolarHBondContact O-N 3.39Å; T1121-A1124 PolarHBondContact O-N 3.29Å; L1122-A1124 PolarHBondContact O-N 3.32Å; A1124-A1128 WeakPolarHBondContact O-CB 3.49Å; A1124-A1128 PolarHBondContact O-N 3.3Å; A1124-A1128 VanDerWaalsContact O-N 3.15Å; A1124-L1159 HydrophobicContact CB-CD2 4.08Å |
| 1125 | W | 82.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.4 | -42.1 | 173.9 | 178.8 | 86.9 | 0 | 0 | 0 | 112.3 | L1066 T1121 L1122 L1123 A1128 R1129 F1177 Q1180 I1184 M1234 V1237 E1241 | L1066-W1125 HydrophobicContact CD1-CH2 4.5Å; L1066-W1125 HydrophobicContact CD1-CZ3 3.83Å; T1121-W1125 PolarHBondContact O-N 3.04Å; L1122-W1125 PolarHBondContact O-N 3Å; L1123-W1125 PolarHBondContact O-N 2.94Å; W1125-A1128 PolarHBondContact O-N 2.91Å; W1125-R1129 HydrophobicContact CH2-CG 4.5Å; W1125-R1129 WeakPolarHBondContact O-CB 3.48Å; W1125-R1129 PolarHBondContact O-N 2.59Å; W1125-F1177 HydrophobicContact CD2-CE2 4.35Å; W1125-F1177 AromaticContact CE2-CE2 3.53Å; W1125-F1177 AromaticContact CE2-CZ 3.79Å; W1125-F1177 AromaticContact CZ2-CE2 3.76Å; W1125-F1177 HydrophobicContact CZ2-CE2 3.76Å; W1125-F1177 AromaticContact CZ2-CZ 3.73Å; W1125-F1177 HydrophobicContact CZ2-CZ 3.73Å; W1125-F1177 AromaticContact NE1-CE2 3.3Å; W1125-F1177 VanDerWaalsContact NE1-CE2 3.3Å; W1125-F1177 AromaticContact NE1-CZ 3.48Å; W1125-Q1180 HydrophobicContact CB-CB 3.92Å; W1125-Q1180 HydrophobicContact CG-CB 4.34Å; W1125-I1184 HydrophobicContact CB-CD1 3.56Å; W1125-I1184 HydrophobicContact CD2-CD1 4.11Å; W1125-I1184 HydrophobicContact CG-CD1 3.5Å; W1125-M1234 HydrophobicContact CD2-CE 4.12Å; W1125-M1234 HydrophobicContact CD2-SD 4.47Å; W1125-M1234 HydrophobicContact CE3-CE 4.38Å; W1125-M1234 HydrophobicContact CE3-SD 4.24Å; W1125-M1234 HydrophobicContact CH2-CE 4.14Å; W1125-M1234 HydrophobicContact CH2-SD 4.5Å; W1125-M1234 HydrophobicContact CZ2-CE 3.85Å; W1125-M1234 HydrophobicContact CZ3-CE 4.4Å; W1125-M1234 HydrophobicContact CZ3-SD 4.26Å; W1125-V1237 HydrophobicContact CH2-CG1 3.94Å; W1125-V1237 HydrophobicContact CH2-CG2 4.02Å; W1125-V1237 HydrophobicContact CZ2-CG1 3.73Å; W1125-E1241 HydrophobicContact CZ2-CB 4.41Å |
| 1126 | Q | 77.9 | Confident | 72.9 | Confident | 8 Ų | 8 | 21.1 Ų | 21.1 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 177.8 | 177.9 | 60.6 | 28 | 0 | 0 | 111.7 | L1122 L1123 R1129 E1130 Y1150 | L1122-Q1126 WeakPolarHBondContact O-CB 3.4Å; L1122-Q1126 PolarHBondContact O-N 3.38Å; L1123-Q1126 PolarHBondContact O-N 3.18Å; Q1126-R1129 WeakPolarHBondContact O-CB 3.43Å; Q1126-R1129 PolarHBondContact O-N 3.18Å; Q1126-E1130 PolarHBondContact NE2-OE1 3.26Å; Q1126-E1130 PolarHBondContact O-N 3.11Å; Q1126-Y1150 WeakPolarHBondContact CG-OH 3.21Å |
| 1127 | E | 73.5 | Confident | 72.1 | Confident | 35 Ų | 35 | 30.2 Ų | 30.2 | 16% | 0.164 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 171.2 | -176.4 | 179.4 | -152 | 0 | 0 | 111.7 | L1123 R1129 E1130 A1131 Y1150 R1154 | L1123-E1127 PolarHBondContact O-N 2.82Å; E1127-R1129 PolarHBondContact O-N 3.32Å; E1127-E1130 PolarHBondContact O-N 3.41Å; E1127-A1131 WeakPolarHBondContact O-CB 3.21Å; E1127-A1131 PolarHBondContact O-N 2.91Å; E1127-Y1150 HydrophobicContact CB-CD1 4.43Å; E1127-Y1150 HydrophobicContact CB-CE1 4.29Å; E1127-R1154 IonicContact OE1-CZ 2.69Å; E1127-R1154 VanDerWaalsContact OE1-CZ 3.24Å; E1127-R1154 IonicContact OE1-NH1 3.2Å; E1127-R1154 PolarHBondContact OE1-NH1 2.91Å; E1127-R1154 IonicContact OE1-NH2 2.88Å; E1127-R1154 PolarHBondContact OE1-NH2 3.2Å; E1127-R1154 IonicContact OE2-CZ 2.72Å; E1127-R1154 IonicContact OE2-NH1 3.2Å; E1127-R1154 IonicContact OE2-NH2 3.34Å; E1127-R1154 PolarHBondContact OE2-NH2 3.14Å |
| 1128 | A | 74.8 | Confident | 70.9 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 12% | 0.116 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -33.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1124 W1125 R1132 F1177 Q1180 | A1124-A1128 WeakPolarHBondContact O-CB 3.49Å; A1124-A1128 PolarHBondContact O-N 3.3Å; A1124-A1128 VanDerWaalsContact O-N 3.15Å; W1125-A1128 PolarHBondContact O-N 2.91Å; A1128-R1132 WeakPolarHBondContact O-CB 3.42Å; A1128-R1132 PolarHBondContact O-N 2.84Å; A1128-R1132 VanDerWaalsContact O-N 3.07Å; A1128-F1177 HydrophobicContact CB-CB 4.38Å; A1128-F1177 HydrophobicContact CB-CD2 4.29Å; A1128-Q1180 HydrophobicContact CB-CG 3.87Å |
| 1129 | R | 74.4 | Confident | 69.1 | Low | 22 Ų | 22 | 40.6 Ų | 40.6 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.5 | -46.4 | 174.2 | -168.9 | -168.6 | -173.9 | -174.9 | 5.9 | 111.9 | N1063 W1125 Q1126 E1127 R1132 N1133 F1177 E1241 | N1063-R1129 PolarHBondContact ND2-NH2 2.57Å; W1125-R1129 HydrophobicContact CH2-CG 4.5Å; W1125-R1129 WeakPolarHBondContact O-CB 3.48Å; W1125-R1129 PolarHBondContact O-N 2.59Å; Q1126-R1129 WeakPolarHBondContact O-CB 3.43Å; Q1126-R1129 PolarHBondContact O-N 3.18Å; E1127-R1129 PolarHBondContact O-N 3.32Å; R1129-R1132 WeakPolarHBondContact O-CB 3.5Å; R1129-R1132 PolarHBondContact O-N 3.48Å; R1129-N1133 WeakPolarHBondContact O-CB 3.44Å; R1129-N1133 VanDerWaalsContact O-CG 3.27Å; R1129-N1133 PolarHBondContact O-N 3.14Å; R1129-F1177 HydrophobicContact CB-CD2 4.13Å; R1129-F1177 HydrophobicContact CB-CE2 3.77Å; R1129-F1177 HydrophobicContact CG-CE2 4Å; R1129-E1241 IonicContact CZ-OE1 2.79Å; R1129-E1241 IonicContact CZ-OE2 3.44Å; R1129-E1241 IonicContact NE-OE1 3.44Å; R1129-E1241 PolarHBondContact NE-OE1 3.31Å; R1129-E1241 IonicContact NE-OE2 3.65Å; R1129-E1241 VanDerWaalsContact NH2-CD 3.28Å; R1129-E1241 IonicContact NH2-OE1 2.71Å; R1129-E1241 PolarHBondContact NH2-OE1 3.35Å; R1129-E1241 IonicContact NH2-OE2 3.59Å; R1129-E1241 PolarHBondContact NH2-OE2 2.9Å |
| 1130 | E | 71.5 | Confident | 67.5 | Low | 39 Ų | 39 | 45.1 Ų | 45.1 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 176.9 | -74.6 | 176.3 | -135.6 | 0 | 0 | 111.7 | Q1126 E1127 R1132 N1133 A1134 Y1150 | Q1126-E1130 PolarHBondContact NE2-OE1 3.26Å; Q1126-E1130 PolarHBondContact O-N 3.11Å; E1127-E1130 PolarHBondContact O-N 3.41Å; E1130-R1132 VanDerWaalsContact C-N 3.34Å; E1130-R1132 PolarHBondContact O-N 3.22Å; E1130-N1133 PolarHBondContact O-N 2.86Å; E1130-A1134 WeakPolarHBondContact O-CB 3.33Å; E1130-A1134 PolarHBondContact O-N 3.38Å; E1130-Y1150 PolarHBondContact OE1-OH 3.26Å; E1130-Y1150 WeakPolarHBondContact OE2-CE2 3.37Å |
| 1131 | A | 70.2 | Confident | 65.9 | Low | 36 Ų | 36 | 53.3 Ų | 53.3 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1127 C1135 | E1127-A1131 WeakPolarHBondContact O-CB 3.21Å; E1127-A1131 PolarHBondContact O-N 2.91Å; A1131-C1135 WeakPolarHBondContact O-CB 3.23Å; A1131-C1135 PolarHBondContact O-N 3.4Å; A1131-C1135 VanDerWaalsContact O-N 3.13Å |
| 1132 | R | 68 | Low | 64.6 | Low | 21 Ų | 21 | 56.8 Ų | 56.8 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 173.1 | -174.8 | -177.8 | -172 | -125.8 | -9.4 | 111.6 | A1128 R1129 E1130 A1134 C1135 L1136 N1174 E1240 | A1128-R1132 WeakPolarHBondContact O-CB 3.42Å; A1128-R1132 PolarHBondContact O-N 2.84Å; A1128-R1132 VanDerWaalsContact O-N 3.07Å; R1129-R1132 WeakPolarHBondContact O-CB 3.5Å; R1129-R1132 PolarHBondContact O-N 3.48Å; E1130-R1132 VanDerWaalsContact C-N 3.34Å; E1130-R1132 PolarHBondContact O-N 3.22Å; R1132-A1134 PolarHBondContact O-N 3.39Å; R1132-C1135 PolarHBondContact O-N 2.77Å; R1132-L1136 HydrophobicContact CG-CD1 3.99Å; R1132-L1136 WeakPolarHBondContact O-CG 3.29Å; R1132-L1136 PolarHBondContact O-N 2.89Å; R1132-N1174 WeakPolarHBondContact CD-OD1 3.26Å; R1132-N1174 WeakPolarHBondContact CG-OD1 3.49Å; R1132-N1174 PolarHBondContact NE-OD1 3.42Å; R1132-E1240 IonicContact CZ-OE2 3.83Å; R1132-E1240 IonicContact NH1-OE2 3Å; R1132-E1240 IonicContact NH2-OE2 2.74Å; R1132-E1240 PolarHBondContact NH2-OE2 3.13Å |
| 1133 | N | 68.8 | Low | 63.4 | Low | 43 Ų | 43 | 58.9 Ų | 58.9 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68 | -34.1 | -174.9 | -70.2 | -7.1 | 0 | 0 | 0 | 113.4 | R1129 E1130 S1138 | R1129-N1133 WeakPolarHBondContact O-CB 3.44Å; R1129-N1133 VanDerWaalsContact O-CG 3.27Å; R1129-N1133 PolarHBondContact O-N 3.14Å; E1130-N1133 PolarHBondContact O-N 2.86Å; N1133-S1138 PolarHBondContact O-OG 3.2Å |
| 1134 | A | 65.8 | Low | 62.4 | Low | 57 Ų | 57 | 63.1 Ų | 63.1 | 47% | 0.471 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1130 R1132 L1136 K1137 | E1130-A1134 WeakPolarHBondContact O-CB 3.33Å; E1130-A1134 PolarHBondContact O-N 3.38Å; R1132-A1134 PolarHBondContact O-N 3.39Å; A1134-L1136 VanDerWaalsContact C-N 3.31Å; A1134-L1136 PolarHBondContact O-N 2.81Å; A1134-K1137 PolarHBondContact O-N 3.17Å |
| 1135 | C | 59.9 | Low | 61.8 | Low | 41 Ų | 41 | 67.1 Ų | 67.1 | 28% | 0.277 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.7 | -34 | 178.5 | -155.5 | 0 | 0 | 0 | 0 | 112.3 | A1131 R1132 K1137 I1170 | A1131-C1135 WeakPolarHBondContact O-CB 3.23Å; A1131-C1135 PolarHBondContact O-N 3.4Å; A1131-C1135 VanDerWaalsContact O-N 3.13Å; R1132-C1135 PolarHBondContact O-N 2.77Å; C1135-K1137 PolarHBondContact O-N 3.36Å; C1135-K1137 VanDerWaalsContact O-N 3.14Å; C1135-I1170 WeakPolarHBondContact SG-CG1 3.22Å |
| 1136 | L | 60.1 | Low | 61.1 | Low | 80 Ų | 80 | 67.3 Ų | 67.3 | 42% | 0.419 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 2.5 | 177.9 | -73.1 | 170.3 | 0 | 0 | 0 | 115.1 | R1132 A1134 S1138 | R1132-L1136 HydrophobicContact CG-CD1 3.99Å; R1132-L1136 WeakPolarHBondContact O-CG 3.29Å; R1132-L1136 PolarHBondContact O-N 2.89Å; A1134-L1136 VanDerWaalsContact C-N 3.31Å; A1134-L1136 PolarHBondContact O-N 2.81Å; L1136-S1138 PolarHBondContact O-N 3.22Å; L1136-S1138 VanDerWaalsContact O-N 3.12Å |
| 1137 | K | 52.1 | Low | 60.7 | Low | 190 Ų | 190 | 70.1 Ų | 70.1 | 83% | 0.826 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 32.2 | -174.2 | -62 | -174.1 | 179.1 | 179.9 | 0 | 113.8 | A1134 C1135 | A1134-K1137 PolarHBondContact O-N 3.17Å; C1135-K1137 PolarHBondContact O-N 3.36Å; C1135-K1137 VanDerWaalsContact O-N 3.14Å |
| 1138 | S | 46.6 | Very low | 60.5 | Low | 48 Ų | 48 | 70 Ų | 70 | 34% | 0.336 | 40% | 0.4 | S | S | . | . | trans | -62.9 | 148.3 | 171.8 | 67.7 | 0 | 0 | 0 | 0 | 109.9 | N1133 L1136 V1140 | N1133-S1138 PolarHBondContact O-OG 3.2Å; L1136-S1138 PolarHBondContact O-N 3.22Å; L1136-S1138 VanDerWaalsContact O-N 3.12Å; S1138-V1140 PolarHBondContact O-N 3.07Å | ||
| 1139 | N | 41.7 | Very low | 60.3 | Low | 176 Ų | 176 | 69.4 Ų | 69.4 | 94% | 0.941 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -67.3 | 10.3 | 175.6 | -83.2 | -12.6 | 0 | 0 | 0 | 113.6 | Q1141 | N1139-Q1141 VanDerWaalsContact C-N 3.32Å; N1139-Q1141 PolarHBondContact O-N 3.02Å |
| 1140 | V | 44.6 | Very low | 60.4 | Low | 97 Ų | 97 | 68.6 Ų | 68.6 | 59% | 0.588 | 39% | 0.392 | S | S | * | . | trans | -75.3 | 87.6 | 171.1 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | S1138 S1142 | S1138-V1140 PolarHBondContact O-N 3.07Å; V1140-S1142 PolarHBondContact O-N 3.45Å; V1140-S1142 VanDerWaalsContact O-N 3.1Å | ||
| 1141 | Q | 41.5 | Very low | 60.3 | Low | 182 Ų | 182 | 73.8 Ų | 73.8 | 85% | 0.85 | 41% | 0.409 | S | S | * | . | trans | -56.2 | 115.5 | 176.6 | -175.7 | 169.7 | -8.6 | 0 | 0 | 109.7 | N1139 N1143 | N1139-Q1141 VanDerWaalsContact C-N 3.32Å; N1139-Q1141 PolarHBondContact O-N 3.02Å; Q1141-N1143 PolarHBondContact O-N 2.89Å | ||
| 1142 | S | 48.1 | Very low | 60.2 | Low | 86 Ų | 86 | 76.5 Ų | 76.5 | 60% | 0.601 | 41% | 0.412 | S | S | * | . | trans | -62.5 | 120.3 | -174.4 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | V1140 S1144 | V1140-S1142 PolarHBondContact O-N 3.45Å; V1140-S1142 VanDerWaalsContact O-N 3.1Å; S1142-S1144 PolarHBondContact O-N 2.72Å; S1142-S1144 VanDerWaalsContact O-N 3.14Å | ||
| 1143 | N | 55.1 | Low | 60.3 | Low | 46 Ų | 46 | 75.5 Ų | 75.5 | 25% | 0.246 | 41% | 0.408 | C | S | . | . | trans | -75.9 | 109.6 | -173.4 | -170.2 | -25.6 | 0 | 0 | 0 | 109.3 | Y1067 Q1141 N1145 Q1146 V1147 | Y1067-N1143 WeakPolarHBondContact OH-CB 3.16Å; Y1067-N1143 PolarHBondContact OH-ND2 3.32Å; Q1141-N1143 PolarHBondContact O-N 2.89Å; N1143-N1145 PolarHBondContact O-N 3.32Å; N1143-N1145 WeakPolarHBondContact OD1-CB 3.41Å; N1143-N1145 PolarHBondContact OD1-N 3.45Å; N1143-N1145 PolarHBondContact OD1-ND2 3.39Å; N1143-Q1146 PolarHBondContact O-N 2.85Å; N1143-V1147 PolarHBondContact O-N 3.26Å | ||
| 1144 | S | 58.2 | Low | 60.5 | Low | 88 Ų | 88 | 76.1 Ų | 76.1 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -53.9 | -28.2 | -177.4 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | S1142 A1148 | S1142-S1144 PolarHBondContact O-N 2.72Å; S1142-S1144 VanDerWaalsContact O-N 3.14Å; S1144-A1148 WeakPolarHBondContact O-CB 3.39Å; S1144-A1148 PolarHBondContact O-N 3.45Å |
| 1145 | N | 63.4 | Low | 60.6 | Low | 101 Ų | 101 | 80.5 Ų | 80.5 | 54% | 0.54 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 176.4 | -60.5 | -46.8 | 0 | 0 | 0 | 112.6 | N1143 A1148 V1149 | N1143-N1145 PolarHBondContact O-N 3.32Å; N1143-N1145 WeakPolarHBondContact OD1-CB 3.41Å; N1143-N1145 PolarHBondContact OD1-N 3.45Å; N1143-N1145 PolarHBondContact OD1-ND2 3.39Å; N1145-A1148 PolarHBondContact O-N 2.96Å; N1145-V1149 WeakPolarHBondContact O-CG2 3.45Å; N1145-V1149 PolarHBondContact O-N 3.2Å |
| 1146 | Q | 67.2 | Low | 60.9 | Low | 3 Ų | 3 | 84 Ų | 84 | 1% | 0.014 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 176.1 | -77.7 | 177.9 | -48.7 | 0 | 0 | 111.2 | Y1067 H1071 N1143 A1148 V1149 Y1150 | Y1067-Q1146 VanDerWaalsContact CD1-NE2 3.34Å; Y1067-Q1146 HydrophobicContact CE1-CG 4.4Å; Y1067-Q1146 VanDerWaalsContact CE1-NE2 3.26Å; Y1067-Q1146 VanDerWaalsContact CE2-OE1 3.22Å; Y1067-Q1146 VanDerWaalsContact CZ-NE2 3.29Å; Y1067-Q1146 PolarHBondContact O-NE2 3.26Å; Y1067-Q1146 VanDerWaalsContact O-NE2 3.1Å; Y1067-Q1146 PolarHBondContact OH-OE1 2.93Å; H1071-Q1146 WeakPolarHBondContact NE2-CG 3.37Å; N1143-Q1146 PolarHBondContact O-N 2.85Å; Q1146-A1148 PolarHBondContact O-N 3.43Å; Q1146-V1149 CarbonylContact O-C 3.6Å; Q1146-V1149 WeakPolarHBondContact O-CA 3.42Å; Q1146-V1149 WeakPolarHBondContact O-CB 3.48Å; Q1146-V1149 PolarHBondContact O-N 2.88Å; Q1146-Y1150 HydrophobicContact CB-CD2 4.46Å; Q1146-Y1150 HydrophobicContact CB-CE2 4.02Å; Q1146-Y1150 WeakPolarHBondContact O-CD2 3.48Å; Q1146-Y1150 PolarHBondContact O-N 3.42Å |
| 1147 | V | 68.9 | Low | 60.9 | Low | 67 Ų | 67 | 81.1 Ų | 81.1 | 41% | 0.406 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60 | -36.5 | 175.2 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | N1143 R1151 | N1143-V1147 PolarHBondContact O-N 3.26Å; V1147-R1151 WeakPolarHBondContact O-CB 3.43Å; V1147-R1151 PolarHBondContact O-N 2.94Å; V1147-R1151 VanDerWaalsContact O-N 3.12Å |
| 1148 | A | 69.4 | Low | 61.5 | Low | 33 Ų | 33 | 73.2 Ų | 73.2 | 27% | 0.273 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.1 | -29.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1144 N1145 Q1146 R1152 | S1144-A1148 WeakPolarHBondContact O-CB 3.39Å; S1144-A1148 PolarHBondContact O-N 3.45Å; N1145-A1148 PolarHBondContact O-N 2.96Å; Q1146-A1148 PolarHBondContact O-N 3.43Å; A1148-R1152 PolarHBondContact O-N 2.86Å; A1148-R1152 PolarHBondContact O-NE 3.43Å |
| 1149 | V | 71.7 | Confident | 62.3 | Low | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.1 | -51.9 | 170.4 | 165.8 | 0 | 0 | 0 | 0 | 110.9 | P1070 D1074 N1145 Q1146 R1151 R1152 L1153 | P1070-V1149 HydrophobicContact CB-CG1 3.67Å; P1070-V1149 WeakPolarHBondContact O-CG1 3.47Å; D1074-V1149 HydrophobicContact CB-CG1 3.88Å; D1074-V1149 HydrophobicContact CB-CG2 4.26Å; N1145-V1149 WeakPolarHBondContact O-CG2 3.45Å; N1145-V1149 PolarHBondContact O-N 3.2Å; Q1146-V1149 CarbonylContact O-C 3.6Å; Q1146-V1149 WeakPolarHBondContact O-CA 3.42Å; Q1146-V1149 WeakPolarHBondContact O-CB 3.48Å; Q1146-V1149 PolarHBondContact O-N 2.88Å; V1149-R1151 PolarHBondContact O-N 2.88Å; V1149-R1152 CarbonylContact O-C 3.54Å; V1149-R1152 WeakPolarHBondContact O-CA 3.39Å; V1149-R1152 PolarHBondContact O-N 3.33Å; V1149-L1153 HydrophobicContact CG1-CD1 3.77Å; V1149-L1153 HydrophobicContact CG1-CG 4.12Å; V1149-L1153 WeakPolarHBondContact O-CG 3.47Å; V1149-L1153 PolarHBondContact O-N 3.37Å |
| 1150 | Y | 75.8 | Confident | 63.1 | Low | 6 Ų | 6 | 66.7 Ų | 66.7 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.7 | -32.4 | 178.5 | -62.6 | -56.2 | 0 | 0 | 0 | 112.8 | P1070 Q1126 E1127 E1130 Q1146 L1153 R1154 L1159 | P1070-Y1150 HydrophobicContact CB-CE1 4.05Å; P1070-Y1150 HydrophobicContact CG-CE1 3.86Å; P1070-Y1150 WeakPolarHBondContact CG-OH 3.19Å; Q1126-Y1150 WeakPolarHBondContact CG-OH 3.21Å; E1127-Y1150 HydrophobicContact CB-CD1 4.43Å; E1127-Y1150 HydrophobicContact CB-CE1 4.29Å; E1130-Y1150 PolarHBondContact OE1-OH 3.26Å; E1130-Y1150 WeakPolarHBondContact OE2-CE2 3.37Å; Q1146-Y1150 HydrophobicContact CB-CD2 4.46Å; Q1146-Y1150 HydrophobicContact CB-CE2 4.02Å; Q1146-Y1150 WeakPolarHBondContact O-CD2 3.48Å; Q1146-Y1150 PolarHBondContact O-N 3.42Å; Y1150-L1153 HydrophobicContact CD1-CD1 4.26Å; Y1150-R1154 PolarHBondContact O-N 2.85Å; Y1150-L1159 HydrophobicContact CD1-CD1 3.71Å; Y1150-L1159 HydrophobicContact CG-CD1 4.47Å |
| 1151 | R | 69.4 | Low | 63.4 | Low | 147 Ų | 147 | 66.6 Ų | 66.6 | 56% | 0.555 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 171.2 | -169.5 | -178.5 | -66.6 | 117.3 | -2.7 | 112.2 | V1147 V1149 R1154 Q1155 | V1147-R1151 WeakPolarHBondContact O-CB 3.43Å; V1147-R1151 PolarHBondContact O-N 2.94Å; V1147-R1151 VanDerWaalsContact O-N 3.12Å; V1149-R1151 PolarHBondContact O-N 2.88Å; R1151-R1154 PolarHBondContact O-N 2.79Å; R1151-Q1155 WeakPolarHBondContact O-CG 3.13Å; R1151-Q1155 PolarHBondContact O-N 3.48Å; R1151-Q1155 VanDerWaalsContact O-N 3.11Å |
| 1152 | R | 68 | Low | 64 | Low | 93 Ų | 93 | 63.7 Ų | 63.7 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.4 | -39.8 | 176.3 | -76.8 | -178.6 | -74.9 | 143.4 | 5 | 112.5 | D1074 A1148 V1149 R1154 Q1155 K1156 | D1074-R1152 VanDerWaalsContact CG-NH1 3.32Å; D1074-R1152 IonicContact OD1-CZ 2.8Å; D1074-R1152 IonicContact OD1-NE 3.83Å; D1074-R1152 IonicContact OD1-NH1 3.65Å; D1074-R1152 PolarHBondContact OD1-NH1 3.12Å; D1074-R1152 IonicContact OD1-NH2 3.73Å; D1074-R1152 IonicContact OD2-CZ 3.88Å; D1074-R1152 IonicContact OD2-NH1 3.82Å; D1074-R1152 PolarHBondContact OD2-NH1 3.43Å; D1074-R1152 IonicContact OD2-NH2 2.68Å; D1074-R1152 PolarHBondContact OD2-NH2 3.38Å; A1148-R1152 PolarHBondContact O-N 2.86Å; A1148-R1152 PolarHBondContact O-NE 3.43Å; V1149-R1152 CarbonylContact O-C 3.54Å; V1149-R1152 WeakPolarHBondContact O-CA 3.39Å; V1149-R1152 PolarHBondContact O-N 3.33Å; R1152-R1154 VanDerWaalsContact C-N 3.29Å; R1152-R1154 PolarHBondContact O-N 3.19Å; R1152-Q1155 WeakPolarHBondContact O-CB 3.43Å; R1152-Q1155 PolarHBondContact O-N 3.15Å; R1152-Q1155 VanDerWaalsContact O-N 3.11Å; R1152-K1156 WeakPolarHBondContact O-CG 3.48Å; R1152-K1156 PolarHBondContact O-N 2.89Å |
| 1153 | L | 70.4 | Confident | 63.9 | Low | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.8 | -34.9 | 173.8 | -66.2 | 174.8 | 0 | 0 | 0 | 112.3 | I1073 L1077 L1123 V1149 Y1150 K1156 G1157 W1158 L1159 | I1073-L1153 HydrophobicContact CG2-CD2 4.14Å; L1077-L1153 HydrophobicContact CD1-CD2 3.68Å; L1123-L1153 HydrophobicContact CD1-CD1 4.43Å; V1149-L1153 HydrophobicContact CG1-CD1 3.77Å; V1149-L1153 HydrophobicContact CG1-CG 4.12Å; V1149-L1153 WeakPolarHBondContact O-CG 3.47Å; V1149-L1153 PolarHBondContact O-N 3.37Å; Y1150-L1153 HydrophobicContact CD1-CD1 4.26Å; L1153-K1156 CarbonylContact O-C 3.54Å; L1153-K1156 PolarHBondContact O-N 3.01Å; L1153-G1157 PolarHBondContact O-N 2.87Å; L1153-W1158 HydrophobicContact CB-CB 4.32Å; L1153-W1158 HydrophobicContact CD2-CB 4.43Å; L1153-W1158 PolarHBondContact O-N 3.14Å; L1153-L1159 HydrophobicContact CB-CD1 4.09Å; L1153-L1159 HydrophobicContact CB-CG 4.38Å; L1153-L1159 HydrophobicContact CD1-CD1 4.42Å |
| 1154 | R | 71.9 | Confident | 63.1 | Low | 56 Ų | 56 | 66.9 Ų | 66.9 | 21% | 0.211 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 168.5 | -79.7 | -171 | 173.3 | 90.8 | 9.7 | 113.1 | E1127 Y1150 R1151 R1152 K1156 G1157 L1159 P1160 | E1127-R1154 IonicContact OE1-CZ 2.69Å; E1127-R1154 VanDerWaalsContact OE1-CZ 3.24Å; E1127-R1154 IonicContact OE1-NH1 3.2Å; E1127-R1154 PolarHBondContact OE1-NH1 2.91Å; E1127-R1154 IonicContact OE1-NH2 2.88Å; E1127-R1154 PolarHBondContact OE1-NH2 3.2Å; E1127-R1154 IonicContact OE2-CZ 2.72Å; E1127-R1154 IonicContact OE2-NH1 3.2Å; E1127-R1154 IonicContact OE2-NH2 3.34Å; E1127-R1154 PolarHBondContact OE2-NH2 3.14Å; Y1150-R1154 PolarHBondContact O-N 2.85Å; R1151-R1154 PolarHBondContact O-N 2.79Å; R1152-R1154 VanDerWaalsContact C-N 3.29Å; R1152-R1154 PolarHBondContact O-N 3.19Å; R1154-K1156 PolarHBondContact O-N 3.38Å; R1154-G1157 PolarHBondContact O-N 2.86Å; R1154-L1159 HydrophobicContact CG-CB 3.89Å; R1154-P1160 PolarHBondContact NE-O 3.39Å |
| 1155 | Q | 69.3 | Low | 62.1 | Low | 148 Ų | 148 | 70 Ų | 70 | 69% | 0.692 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.9 | -27.2 | 176.4 | -71 | 168.6 | -34.2 | 0 | 0 | 112.4 | R1151 R1152 | R1151-Q1155 WeakPolarHBondContact O-CG 3.13Å; R1151-Q1155 PolarHBondContact O-N 3.48Å; R1151-Q1155 VanDerWaalsContact O-N 3.11Å; R1152-Q1155 WeakPolarHBondContact O-CB 3.43Å; R1152-Q1155 PolarHBondContact O-N 3.15Å; R1152-Q1155 VanDerWaalsContact O-N 3.11Å |
| 1156 | K | 66.4 | Low | 60.8 | Low | 115 Ų | 115 | 69 Ų | 69 | 50% | 0.5 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 4.5 | 173 | -70.1 | -77.3 | -172.8 | 162 | 0 | 114.4 | R1152 L1153 R1154 W1158 | R1152-K1156 WeakPolarHBondContact O-CG 3.48Å; R1152-K1156 PolarHBondContact O-N 2.89Å; L1153-K1156 CarbonylContact O-C 3.54Å; L1153-K1156 PolarHBondContact O-N 3.01Å; R1154-K1156 PolarHBondContact O-N 3.38Å; K1156-W1158 VanDerWaalsContact C-N 3.25Å; K1156-W1158 PolarHBondContact O-N 2.78Å |
| 1157 | G | 60.5 | Low | 59.8 | Low | 20 Ų | 20 | 74.8 Ų | 74.8 | 21% | 0.206 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 10.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1089 L1153 R1154 | L1089-G1157 WeakPolarHBondContact CD2-O 3.47Å; L1153-G1157 PolarHBondContact O-N 2.87Å; R1154-G1157 PolarHBondContact O-N 2.86Å |
| 1158 | W | 64.1 | Low | 58.8 | Low | 23 Ų | 23 | 74.2 Ų | 74.2 | 9% | 0.087 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -78.5 | -27.2 | 179.4 | -89.5 | 59.1 | 0 | 0 | 0 | 113.5 | I1073 L1077 W1084 T1116 L1119 K1120 L1123 L1153 K1156 | I1073-W1158 HydrophobicContact CG2-CE3 3.91Å; I1073-W1158 HydrophobicContact CG2-CH2 4.26Å; I1073-W1158 HydrophobicContact CG2-CZ3 3.72Å; L1077-W1158 HydrophobicContact CD1-CD2 3.89Å; L1077-W1158 HydrophobicContact CD1-CE3 4.5Å; L1077-W1158 HydrophobicContact CD1-CG 4.06Å; L1077-W1158 HydrophobicContact CD1-CZ2 4.3Å; L1077-W1158 HydrophobicContact CD2-CZ2 3.9Å; W1084-W1158 AromaticContact CD1-CH2 3.99Å; W1084-W1158 AromaticContact CD1-CZ2 3.58Å; W1084-W1158 HydrophobicContact CG-CZ2 4.15Å; W1084-W1158 AromaticContact NE1-CH2 3.94Å; T1116-W1158 HydrophobicContact CG2-CH2 3.79Å; T1116-W1158 HydrophobicContact CG2-CZ2 3.97Å; T1116-W1158 HydrophobicContact CG2-CZ3 4.37Å; L1119-W1158 HydrophobicContact CB-CZ3 4.05Å; L1119-W1158 HydrophobicContact CD1-CH2 4.39Å; L1119-W1158 HydrophobicContact CD1-CZ3 4.49Å; K1120-W1158 HydrophobicContact CG-CD2 4.37Å; K1120-W1158 HydrophobicContact CG-CE3 3.95Å; K1120-W1158 HydrophobicContact CG-CZ3 4.36Å; L1123-W1158 HydrophobicContact CD1-CE3 4.03Å; L1123-W1158 HydrophobicContact CD1-CZ3 4.37Å; L1153-W1158 HydrophobicContact CB-CB 4.32Å; L1153-W1158 HydrophobicContact CD2-CB 4.43Å; L1153-W1158 PolarHBondContact O-N 3.14Å; K1156-W1158 VanDerWaalsContact C-N 3.25Å; K1156-W1158 PolarHBondContact O-N 2.78Å |
| 1159 | L | 62.6 | Low | 58.1 | Low | 5 Ų | 5 | 76.1 Ų | 76.1 | 3% | 0.026 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -122.1 | 145.4 | 174.9 | -70.3 | 173.6 | 0 | 0 | 0 | 110 | L1123 A1124 Y1150 L1153 R1154 | L1123-L1159 HydrophobicContact CB-CD2 4.19Å; A1124-L1159 HydrophobicContact CB-CD2 4.08Å; Y1150-L1159 HydrophobicContact CD1-CD1 3.71Å; Y1150-L1159 HydrophobicContact CG-CD1 4.47Å; L1153-L1159 HydrophobicContact CB-CD1 4.09Å; L1153-L1159 HydrophobicContact CB-CG 4.38Å; L1153-L1159 HydrophobicContact CD1-CD1 4.42Å; R1154-L1159 HydrophobicContact CG-CB 3.89Å |
| 1160 | P | 58.7 | Low | 57.4 | Low | 83 Ų | 83 | 79.8 Ų | 79.8 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -62 | 147 | 178.2 | 26.4 | -34.5 | 0 | 0 | 0 | 111.4 | R1154 K1162 | R1154-P1160 PolarHBondContact NE-O 3.39Å; P1160-K1162 PolarHBondContact O-N 2.77Å |
| 1161 | A | 52.1 | Low | 56.4 | Low | 94 Ų | 94 | 85.5 Ų | 85.5 | 78% | 0.777 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 136.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1163 | A1161-A1163 PolarHBondContact O-N 3.11Š|
| 1162 | K | 53.8 | Low | 55.9 | Low | 121 Ų | 121 | 82.5 Ų | 82.5 | 53% | 0.526 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 128.6 | 179.3 | -147.2 | 176.5 | -174.6 | -179.5 | 0 | 108.2 | P1160 E1165 | P1160-K1162 PolarHBondContact O-N 2.77Å; K1162-E1165 HydrophobicContact CD-CG 4.37Å; K1162-E1165 WeakPolarHBondContact CE-OE1 3.2Å; K1162-E1165 IonicContact NZ-OE1 3.76Å; K1162-E1165 PolarHBondContact NZ-OE1 2.93Å |
| 1163 | A | 44.7 | Very low | 55.6 | Low | 88 Ų | 88 | 80.3 Ų | 80.3 | 73% | 0.727 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 147.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | A1161 | A1161-A1163 PolarHBondContact O-N 3.11Š|
| 1164 | S | 38.3 | Very low | 55.3 | Low | 111 Ų | 111 | 81.1 Ų | 81.1 | 78% | 0.776 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 141.8 | -172.7 | 33.8 | 0 | 0 | 0 | 0 | 112.3 | S1166 | S1164-S1166 PolarHBondContact O-N 3.02Š|
| 1165 | E | 37.9 | Very low | 54.8 | Low | 155 Ų | 155 | 83.6 Ų | 83.6 | 72% | 0.724 | 48% | 0.477 | S | S | * | . | trans | -77.2 | 67.4 | -171.9 | -61.9 | -175.5 | 150.3 | 0 | 0 | 112.1 | K1162 | K1162-E1165 HydrophobicContact CD-CG 4.37Å; K1162-E1165 WeakPolarHBondContact CE-OE1 3.2Å; K1162-E1165 IonicContact NZ-OE1 3.76Å; K1162-E1165 PolarHBondContact NZ-OE1 2.93Å | ||
| 1166 | S | 36.5 | Very low | 54.7 | Low | 78 Ų | 78 | 78 Ų | 78 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | trans | -72.7 | 156.8 | 157.6 | 64.8 | 0 | 0 | 0 | 0 | 110.1 | S1164 T1168 | S1164-S1166 PolarHBondContact O-N 3.02Å; S1166-T1168 VanDerWaalsContact C-N 3.3Å; S1166-T1168 PolarHBondContact O-N 3.07Å; S1166-T1168 PolarHBondContact O-OG1 3.48Å | ||
| 1167 | S | 44.7 | Very low | 54.9 | Low | 125 Ų | 125 | 72.9 Ų | 72.9 | 87% | 0.874 | 43% | 0.434 | S | S | * | . | trans | -66.8 | 84.4 | 180 | 56 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1168 | T | 48.9 | Very low | 55.4 | Low | 56 Ų | 56 | 72.7 Ų | 72.7 | 34% | 0.344 | 43% | 0.43 | S | S | . | . | trans | -85.9 | 128.2 | -172.2 | 30.1 | 0 | 0 | 0 | 0 | 110.7 | S1166 I1172 | S1166-T1168 VanDerWaalsContact C-N 3.3Å; S1166-T1168 PolarHBondContact O-N 3.07Å; S1166-T1168 PolarHBondContact O-OG1 3.48Å; T1168-I1172 HydrophobicContact CG2-CD1 3.93Å | ||
| 1169 | P | 54 | Low | 55.9 | Low | 72 Ų | 72 | 75.6 Ų | 75.6 | 47% | 0.468 | 44% | 0.444 | S | S | . | . | trans | -66.4 | 155.1 | -178 | 23.8 | -33.9 | 0 | 0 | 0 | 112.9 | E1171 I1172 | P1169-E1171 PolarHBondContact O-N 2.94Å; P1169-I1172 HydrophobicContact CG-CD1 4.06Å; P1169-I1172 HydrophobicContact CG-CG1 4.18Å; P1169-I1172 WeakPolarHBondContact O-CB 3.45Å; P1169-I1172 PolarHBondContact O-N 2.97Å | ||
| 1170 | I | 58.2 | Low | 56.6 | Low | 79 Ų | 79 | 76.4 Ų | 76.4 | 41% | 0.405 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -47 | -36.4 | 179.5 | -63.7 | 158.7 | 0 | 0 | 0 | 112.3 | C1135 I1172 H1173 N1174 | C1135-I1170 WeakPolarHBondContact SG-CG1 3.22Å; I1170-I1172 VanDerWaalsContact C-N 3.28Å; I1170-I1172 PolarHBondContact O-N 3.11Å; I1170-H1173 PolarHBondContact O-N 3.28Å; I1170-H1173 VanDerWaalsContact O-N 3.15Å; I1170-N1174 PolarHBondContact O-N 3.21Å |
| 1171 | E | 53.7 | Low | 57.4 | Low | 126 Ų | 126 | 72.8 Ų | 72.8 | 59% | 0.589 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -56.8 | -37.1 | 177.9 | -61.2 | -174.4 | 163.9 | 0 | 0 | 113.4 | P1169 N1174 F1175 F1246 | P1169-E1171 PolarHBondContact O-N 2.94Å; E1171-N1174 PolarHBondContact O-N 3.01Å; E1171-F1175 WeakPolarHBondContact O-CB 3.36Å; E1171-F1175 PolarHBondContact O-N 3.49Å; E1171-F1246 HydrophobicContact CB-CE1 4.37Å |
| 1172 | I | 58.6 | Low | 58.5 | Low | 84 Ų | 84 | 73 Ų | 73 | 43% | 0.431 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.8 | -39 | 178.4 | -62.4 | 179.9 | 0 | 0 | 0 | 110.4 | T1168 P1169 I1170 F1175 A1176 | T1168-I1172 HydrophobicContact CG2-CD1 3.93Å; P1169-I1172 HydrophobicContact CG-CD1 4.06Å; P1169-I1172 HydrophobicContact CG-CG1 4.18Å; P1169-I1172 WeakPolarHBondContact O-CB 3.45Å; P1169-I1172 PolarHBondContact O-N 2.97Å; I1170-I1172 VanDerWaalsContact C-N 3.28Å; I1170-I1172 PolarHBondContact O-N 3.11Å; I1172-F1175 PolarHBondContact O-N 2.88Å; I1172-A1176 WeakPolarHBondContact O-CB 3.26Å; I1172-A1176 PolarHBondContact O-N 2.84Å |
| 1173 | H | 61.7 | Low | 59.4 | Low | 47 Ų | 47 | 72 Ų | 72 | 22% | 0.218 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 174.2 | -66.6 | -63.5 | 0 | 0 | 0 | 111.9 | I1170 A1176 F1177 | I1170-H1173 PolarHBondContact O-N 3.28Å; I1170-H1173 VanDerWaalsContact O-N 3.15Å; H1173-A1176 PolarHBondContact O-N 3.37Å; H1173-F1177 VanDerWaalsContact O-CB 3.27Å; H1173-F1177 WeakPolarHBondContact O-CB 3.42Å; H1173-F1177 PolarHBondContact O-N 2.92Å |
| 1174 | N | 64.2 | Low | 61.1 | Low | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 174.3 | -74.4 | -20.5 | 0 | 0 | 0 | 111.9 | R1132 I1170 E1171 S1178 | R1132-N1174 WeakPolarHBondContact CD-OD1 3.26Å; R1132-N1174 WeakPolarHBondContact CG-OD1 3.49Å; R1132-N1174 PolarHBondContact NE-OD1 3.42Å; I1170-N1174 PolarHBondContact O-N 3.21Å; E1171-N1174 PolarHBondContact O-N 3.01Å; N1174-S1178 VanDerWaalsContact O-CB 3.32Å; N1174-S1178 WeakPolarHBondContact O-CB 3.39Å; N1174-S1178 PolarHBondContact O-N 3.33Å |
| 1175 | F | 62.9 | Low | 63.2 | Low | 108 Ų | 108 | 63.3 Ų | 63.3 | 47% | 0.474 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.2 | -49 | 174.1 | -179.1 | -100.5 | 0 | 0 | 0 | 112.2 | E1171 I1172 F1177 S1178 Q1179 F1246 | E1171-F1175 WeakPolarHBondContact O-CB 3.36Å; E1171-F1175 PolarHBondContact O-N 3.49Å; I1172-F1175 PolarHBondContact O-N 2.88Å; F1175-F1177 VanDerWaalsContact C-N 3.33Å; F1175-F1177 PolarHBondContact O-N 3.47Å; F1175-S1178 WeakPolarHBondContact O-CB 3.36Å; F1175-S1178 PolarHBondContact O-N 3.16Å; F1175-Q1179 WeakPolarHBondContact O-CB 3.28Å; F1175-Q1179 PolarHBondContact O-N 2.75Å; F1175-F1246 HydrophobicContact CB-CZ 3.91Å; F1175-F1246 AromaticContact CD2-CE2 3.7Å; F1175-F1246 HydrophobicContact CD2-CE2 3.7Å; F1175-F1246 AromaticContact CD2-CZ 3.88Å; F1175-F1246 HydrophobicContact CD2-CZ 3.88Å; F1175-F1246 HydrophobicContact CE2-CE2 4.44Å; F1175-F1246 HydrophobicContact CG-CZ 4.3Å |
| 1176 | A | 66.4 | Low | 65.1 | Low | 32 Ų | 32 | 58.3 Ų | 58.3 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1172 H1173 Q1179 Q1180 | I1172-A1176 WeakPolarHBondContact O-CB 3.26Å; I1172-A1176 PolarHBondContact O-N 2.84Å; H1173-A1176 PolarHBondContact O-N 3.37Å; A1176-Q1179 WeakPolarHBondContact O-CB 3.29Å; A1176-Q1179 PolarHBondContact O-N 3.37Å; A1176-Q1180 WeakPolarHBondContact O-CG 3.39Å; A1176-Q1180 PolarHBondContact O-N 2.74Å |
| 1177 | F | 71 | Confident | 67.3 | Low | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 174.5 | 178.7 | -97.5 | 0 | 0 | 0 | 112.1 | W1125 A1128 R1129 H1173 F1175 Q1179 Q1180 A1181 E1241 | W1125-F1177 HydrophobicContact CD2-CE2 4.35Å; W1125-F1177 AromaticContact CE2-CE2 3.53Å; W1125-F1177 AromaticContact CE2-CZ 3.79Å; W1125-F1177 AromaticContact CZ2-CE2 3.76Å; W1125-F1177 HydrophobicContact CZ2-CE2 3.76Å; W1125-F1177 AromaticContact CZ2-CZ 3.73Å; W1125-F1177 HydrophobicContact CZ2-CZ 3.73Å; W1125-F1177 AromaticContact NE1-CE2 3.3Å; W1125-F1177 VanDerWaalsContact NE1-CE2 3.3Å; W1125-F1177 AromaticContact NE1-CZ 3.48Å; A1128-F1177 HydrophobicContact CB-CB 4.38Å; A1128-F1177 HydrophobicContact CB-CD2 4.29Å; R1129-F1177 HydrophobicContact CB-CD2 4.13Å; R1129-F1177 HydrophobicContact CB-CE2 3.77Å; R1129-F1177 HydrophobicContact CG-CE2 4Å; H1173-F1177 VanDerWaalsContact O-CB 3.27Å; H1173-F1177 WeakPolarHBondContact O-CB 3.42Å; H1173-F1177 PolarHBondContact O-N 2.92Å; F1175-F1177 VanDerWaalsContact C-N 3.33Å; F1175-F1177 PolarHBondContact O-N 3.47Å; F1177-Q1179 PolarHBondContact O-N 2.84Å; F1177-Q1180 PolarHBondContact O-N 2.66Å; F1177-A1181 PolarHBondContact O-N 3.05Å; F1177-E1241 HydrophobicContact CE1-CB 4.48Å; F1177-E1241 WeakPolarHBondContact CE1-O 3.23Å; F1177-E1241 HydrophobicContact CZ-CB 3.96Å; F1177-E1241 HydrophobicContact CZ-CG 4.38Å; F1177-E1241 VanDerWaalsContact CZ-O 3.25Å; F1177-E1241 WeakPolarHBondContact CZ-O 3.26Å |
| 1178 | S | 71.3 | Confident | 69.2 | Low | 16 Ų | 16 | 49.3 Ų | 49.3 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.3 | -35.9 | 172 | 168.1 | 0 | 0 | 0 | 0 | 112.2 | N1174 F1175 H1182 I1244 G1245 | N1174-S1178 VanDerWaalsContact O-CB 3.32Å; N1174-S1178 WeakPolarHBondContact O-CB 3.39Å; N1174-S1178 PolarHBondContact O-N 3.33Å; F1175-S1178 WeakPolarHBondContact O-CB 3.36Å; F1175-S1178 PolarHBondContact O-N 3.16Å; S1178-H1182 WeakPolarHBondContact O-CB 3.47Å; S1178-H1182 PolarHBondContact O-N 3.12Å; S1178-I1244 WeakPolarHBondContact OG-CA 3.38Å; S1178-G1245 PolarHBondContact OG-N 2.85Å |
| 1179 | Q | 73.6 | Confident | 70.7 | Confident | 84 Ų | 84 | 47.6 Ų | 47.6 | 39% | 0.393 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69 | -40.8 | 177 | -165.7 | -173.4 | 25.6 | 0 | 0 | 112.1 | F1175 A1176 F1177 H1182 R1183 | F1175-Q1179 WeakPolarHBondContact O-CB 3.28Å; F1175-Q1179 PolarHBondContact O-N 2.75Å; A1176-Q1179 WeakPolarHBondContact O-CB 3.29Å; A1176-Q1179 PolarHBondContact O-N 3.37Å; F1177-Q1179 PolarHBondContact O-N 2.84Å; Q1179-H1182 WeakPolarHBondContact O-CB 3.38Å; Q1179-H1182 PolarHBondContact O-N 2.99Å; Q1179-R1183 WeakPolarHBondContact O-CG 3.17Å; Q1179-R1183 PolarHBondContact O-N 3.09Å |
| 1180 | Q | 76.5 | Confident | 71.8 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.6 | -37.4 | 174.1 | -53.1 | -43.3 | -39.1 | 0 | 0 | 111.7 | W1125 A1128 A1176 F1177 H1182 R1183 I1184 | W1125-Q1180 HydrophobicContact CB-CB 3.92Å; W1125-Q1180 HydrophobicContact CG-CB 4.34Å; A1128-Q1180 HydrophobicContact CB-CG 3.87Å; A1176-Q1180 WeakPolarHBondContact O-CG 3.39Å; A1176-Q1180 PolarHBondContact O-N 2.74Å; F1177-Q1180 PolarHBondContact O-N 2.66Å; Q1180-H1182 VanDerWaalsContact C-N 3.25Å; Q1180-H1182 PolarHBondContact O-N 2.94Å; Q1180-R1183 PolarHBondContact O-N 3.32Å; Q1180-R1183 VanDerWaalsContact O-N 3.13Å; Q1180-I1184 PolarHBondContact O-N 3.41Å |
| 1181 | A | 76.1 | Confident | 73 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -35.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | F1177 R1185 I1244 | F1177-A1181 PolarHBondContact O-N 3.05Å; A1181-R1185 PolarHBondContact O-N 3.05Å; A1181-R1185 VanDerWaalsContact O-N 3.15Å; A1181-I1244 HydrophobicContact CB-CG1 3.99Å |
| 1182 | H | 75.2 | Confident | 74.5 | Confident | 98 Ų | 98 | 38.4 Ų | 38.4 | 45% | 0.454 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.2 | -44.1 | 170.7 | -170.1 | -91.9 | 0 | 0 | 0 | 112.6 | S1178 Q1179 Q1180 I1184 R1185 C1186 I1244 | S1178-H1182 WeakPolarHBondContact O-CB 3.47Å; S1178-H1182 PolarHBondContact O-N 3.12Å; Q1179-H1182 WeakPolarHBondContact O-CB 3.38Å; Q1179-H1182 PolarHBondContact O-N 2.99Å; Q1180-H1182 VanDerWaalsContact C-N 3.25Å; Q1180-H1182 PolarHBondContact O-N 2.94Å; H1182-I1184 PolarHBondContact O-N 2.7Å; H1182-R1185 PolarHBondContact O-N 3.49Å; H1182-R1185 VanDerWaalsContact O-N 3.1Å; H1182-C1186 PolarHBondContact CE1-SG 2.74Å; H1182-C1186 PolarHBondContact O-N 2.69Å; H1182-I1244 VanDerWaalsContact CA-CD1 3.49Å; H1182-I1244 HydrophobicContact CB-CD1 3.88Å; H1182-I1244 HydrophobicContact CB-CG1 4.45Å; H1182-I1244 HydrophobicContact CB-CG2 4.29Å |
| 1183 | R | 73.5 | Confident | 75.5 | Confident | 100 Ų | 100 | 35 Ų | 35 | 38% | 0.377 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.5 | -42.3 | 175.8 | -75 | 164.3 | 162.7 | -166.1 | -6.7 | 112.3 | T1121 Q1179 Q1180 R1185 C1186 L1187 | T1121-R1183 HydrophobicContact CG2-CB 4.34Å; Q1179-R1183 WeakPolarHBondContact O-CG 3.17Å; Q1179-R1183 PolarHBondContact O-N 3.09Å; Q1180-R1183 PolarHBondContact O-N 3.32Å; Q1180-R1183 VanDerWaalsContact O-N 3.13Å; R1183-R1185 PolarHBondContact O-N 2.65Å; R1183-C1186 PolarHBondContact O-N 3.15Å; R1183-L1187 WeakPolarHBondContact O-CB 3.31Å; R1183-L1187 PolarHBondContact O-N 3.2Å |
| 1184 | I | 79.8 | Confident | 76.2 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 172.1 | -68.9 | 174.6 | 0 | 0 | 0 | 111.2 | T1121 L1122 W1125 Q1180 H1182 C1186 L1187 C1188 V1230 M1234 L1278 | T1121-I1184 HydrophobicContact CG2-CG1 3.7Å; L1122-I1184 HydrophobicContact CD2-CD1 4.37Å; W1125-I1184 HydrophobicContact CB-CD1 3.56Å; W1125-I1184 HydrophobicContact CD2-CD1 4.11Å; W1125-I1184 HydrophobicContact CG-CD1 3.5Å; Q1180-I1184 PolarHBondContact O-N 3.41Å; H1182-I1184 PolarHBondContact O-N 2.7Å; I1184-C1186 PolarHBondContact O-N 2.96Å; I1184-L1187 PolarHBondContact O-N 3.08Å; I1184-C1188 WeakPolarHBondContact O-CB 3.45Å; I1184-C1188 PolarHBondContact O-N 3.44Å; I1184-V1230 HydrophobicContact CG2-CG1 4.24Å; I1184-M1234 HydrophobicContact CD1-CE 3.78Å; I1184-M1234 HydrophobicContact CD1-CG 4.44Å; I1184-M1234 HydrophobicContact CD1-SD 3.99Å; I1184-M1234 HydrophobicContact CG2-CG 4.21Å; I1184-L1278 HydrophobicContact CG2-CD1 4.28Å; I1184-L1278 HydrophobicContact CG2-CD2 3.88Å |
| 1185 | R | 81.6 | Confident | 76.8 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 5% | 0.049 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.1 | -36.8 | 177 | -78.1 | -163.2 | 174.5 | 114.4 | 4.4 | 112.8 | A1181 H1182 R1183 L1189 A1242 I1244 H1273 G1277 L1278 W1281 | A1181-R1185 PolarHBondContact O-N 3.05Å; A1181-R1185 VanDerWaalsContact O-N 3.15Å; H1182-R1185 PolarHBondContact O-N 3.49Å; H1182-R1185 VanDerWaalsContact O-N 3.1Å; R1183-R1185 PolarHBondContact O-N 2.65Å; R1185-L1189 WeakPolarHBondContact O-CG 3.5Å; R1185-L1189 PolarHBondContact O-N 3.47Å; R1185-A1242 PolarHBondContact NH1-O 2.95Å; R1185-A1242 PolarHBondContact NH2-O 2.97Å; R1185-I1244 HydrophobicContact CG-CD1 4.25Å; R1185-H1273 PolarHBondContact NH2-ND1 3.47Å; R1185-G1277 PolarHBondContact NH2-O 2.87Å; R1185-L1278 HydrophobicContact CG-CD1 3.63Å; R1185-W1281 HydrophobicContact CB-CH2 3.58Å; R1185-W1281 HydrophobicContact CB-CZ2 4.29Å; R1185-W1281 HydrophobicContact CB-CZ3 3.75Å; R1185-W1281 HydrophobicContact CG-CD2 4.4Å; R1185-W1281 HydrophobicContact CG-CE3 3.85Å; R1185-W1281 HydrophobicContact CG-CH2 3.82Å; R1185-W1281 HydrophobicContact CG-CZ2 4.39Å; R1185-W1281 HydrophobicContact CG-CZ3 3.54Å |
| 1186 | C | 78.9 | Confident | 77.5 | Confident | 49 Ų | 49 | 28.4 Ų | 28.4 | 33% | 0.331 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -69.1 | -45 | 173.9 | -72.2 | 0 | 0 | 0 | 0 | 112.4 | H1182 R1183 I1184 L1189 R1190 | H1182-C1186 PolarHBondContact CE1-SG 2.74Å; H1182-C1186 PolarHBondContact O-N 2.69Å; R1183-C1186 PolarHBondContact O-N 3.15Å; I1184-C1186 PolarHBondContact O-N 2.96Å; C1186-L1189 PolarHBondContact O-N 2.87Å; C1186-R1190 PolarHBondContact O-N 3.43Å |
| 1187 | L | 81.6 | Confident | 77.9 | Confident | 15 Ų | 15 | 27.9 Ų | 27.9 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 176 | 178.2 | 63.3 | 0 | 0 | 0 | 111.2 | T1117 A1118 T1121 R1183 I1184 L1189 R1190 L1191 V1230 | T1117-L1187 HydrophobicContact CG2-CD1 3.95Å; A1118-L1187 HydrophobicContact CB-CD2 4.11Å; T1121-L1187 HydrophobicContact CG2-CD2 4.26Å; R1183-L1187 WeakPolarHBondContact O-CB 3.31Å; R1183-L1187 PolarHBondContact O-N 3.2Å; I1184-L1187 PolarHBondContact O-N 3.08Å; L1187-L1189 PolarHBondContact O-N 3.29Å; L1187-R1190 PolarHBondContact O-N 3.11Å; L1187-R1190 VanDerWaalsContact O-N 3.11Å; L1187-L1191 HydrophobicContact CD1-CD1 4.24Å; L1187-L1191 HydrophobicContact CD1-CG 4.13Å; L1187-L1191 HydrophobicContact CG-CD1 3.95Å; L1187-L1191 HydrophobicContact CG-CG 4.3Å; L1187-L1191 WeakPolarHBondContact O-CB 3.5Å; L1187-L1191 WeakPolarHBondContact O-CG 3.49Å; L1187-L1191 PolarHBondContact O-N 2.86Å; L1187-V1230 HydrophobicContact CD2-CG2 4.47Å |
| 1188 | C | 84.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61 | -33.3 | 178.4 | -172.1 | 0 | 0 | 0 | 0 | 112.5 | I1184 V1192 V1230 L1278 | I1184-C1188 WeakPolarHBondContact O-CB 3.45Å; I1184-C1188 PolarHBondContact O-N 3.44Å; C1188-V1192 WeakPolarHBondContact O-CB 3.31Å; C1188-V1192 WeakPolarHBondContact O-CG2 3.43Å; C1188-V1192 PolarHBondContact O-N 2.99Å; C1188-V1230 HydrophobicContact CB-CG1 4.45Å; C1188-L1278 HydrophobicContact CB-CD1 4.34Å; C1188-L1278 HydrophobicContact CB-CD2 4.43Å |
| 1189 | L | 82.1 | Confident | 77.5 | Confident | 19 Ų | 19 | 28.8 Ų | 28.8 | 10% | 0.099 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.6 | -44.4 | 171.8 | -81.6 | 171.2 | 0 | 0 | 0 | 112.1 | R1185 C1186 L1187 L1191 V1192 D1193 W1281 L1282 R1286 | R1185-L1189 WeakPolarHBondContact O-CG 3.5Å; R1185-L1189 PolarHBondContact O-N 3.47Å; C1186-L1189 PolarHBondContact O-N 2.87Å; L1187-L1189 PolarHBondContact O-N 3.29Å; L1189-L1191 PolarHBondContact O-N 3.39Å; L1189-V1192 WeakPolarHBondContact O-CB 3.16Å; L1189-V1192 PolarHBondContact O-N 3.11Å; L1189-V1192 VanDerWaalsContact O-N 3.14Å; L1189-D1193 PolarHBondContact O-N 3.42Å; L1189-W1281 HydrophobicContact CD1-CH2 3.64Å; L1189-W1281 HydrophobicContact CD1-CZ2 4.05Å; L1189-W1281 HydrophobicContact CD2-CH2 4.43Å; L1189-W1281 HydrophobicContact CG-CH2 3.78Å; L1189-L1282 HydrophobicContact CD2-CD1 4.26Å; L1189-R1286 HydrophobicContact CD2-CB 4.28Å; L1189-R1286 HydrophobicContact CD2-CG 4.01Å |
| 1190 | R | 77.3 | Confident | 77 | Confident | 84 Ų | 84 | 28.5 Ų | 28.5 | 32% | 0.317 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 177.7 | -74.7 | 175.5 | 170.2 | -178.1 | -9.9 | 112.2 | I1094 C1186 L1187 V1192 D1193 T1194 | I1094-R1190 VanDerWaalsContact CG2-NH1 3.28Å; I1094-R1190 VanDerWaalsContact O-CZ 3.25Å; I1094-R1190 PolarHBondContact O-NH1 3.42Å; I1094-R1190 PolarHBondContact O-NH2 2.82Å; C1186-R1190 PolarHBondContact O-N 3.43Å; L1187-R1190 PolarHBondContact O-N 3.11Å; L1187-R1190 VanDerWaalsContact O-N 3.11Å; R1190-V1192 VanDerWaalsContact C-N 3.32Å; R1190-V1192 PolarHBondContact O-N 2.73Å; R1190-D1193 PolarHBondContact O-N 3.23Å; R1190-T1194 WeakPolarHBondContact O-CG2 3.43Å; R1190-T1194 PolarHBondContact O-N 3.24Å; R1190-T1194 PolarHBondContact O-OG1 2.59Å; R1190-T1194 VanDerWaalsContact O-OG1 3.08Å |
| 1191 | L | 82.6 | Confident | 75.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.4 | -35.3 | 172.9 | -69.1 | 173.2 | 0 | 0 | 0 | 112.7 | Y1114 L1187 L1189 T1194 C1195 I1223 L1227 V1230 | Y1114-L1191 HydrophobicContact CD1-CD2 3.75Å; Y1114-L1191 HydrophobicContact CG-CD2 4.17Å; L1187-L1191 HydrophobicContact CD1-CD1 4.24Å; L1187-L1191 HydrophobicContact CD1-CG 4.13Å; L1187-L1191 HydrophobicContact CG-CD1 3.95Å; L1187-L1191 HydrophobicContact CG-CG 4.3Å; L1187-L1191 WeakPolarHBondContact O-CB 3.5Å; L1187-L1191 WeakPolarHBondContact O-CG 3.49Å; L1187-L1191 PolarHBondContact O-N 2.86Å; L1189-L1191 PolarHBondContact O-N 3.39Å; L1191-T1194 PolarHBondContact O-OG1 2.88Å; L1191-C1195 VanDerWaalsContact O-CB 3.26Å; L1191-C1195 WeakPolarHBondContact O-CB 3.44Å; L1191-C1195 PolarHBondContact O-N 3.08Å; L1191-C1195 PolarHBondContact O-SG 2.87Å; L1191-C1195 VanDerWaalsContact O-SG 3.35Å; L1191-I1223 HydrophobicContact CD2-CG2 4.01Å; L1191-L1227 HydrophobicContact CB-CB 4.29Å; L1191-L1227 HydrophobicContact CB-CD1 4.2Å; L1191-V1230 HydrophobicContact CD1-CG2 4.29Å |
| 1192 | V | 84.7 | Confident | 74 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.6 | -44.9 | 172 | 153.9 | 0 | 0 | 0 | 0 | 111.2 | C1188 L1189 R1190 T1194 C1195 L1196 L1227 L1282 L1287 W1290 L1316 | C1188-V1192 WeakPolarHBondContact O-CB 3.31Å; C1188-V1192 WeakPolarHBondContact O-CG2 3.43Å; C1188-V1192 PolarHBondContact O-N 2.99Å; L1189-V1192 WeakPolarHBondContact O-CB 3.16Å; L1189-V1192 PolarHBondContact O-N 3.11Å; L1189-V1192 VanDerWaalsContact O-N 3.14Å; R1190-V1192 VanDerWaalsContact C-N 3.32Å; R1190-V1192 PolarHBondContact O-N 2.73Å; V1192-T1194 VanDerWaalsContact C-N 3.35Å; V1192-T1194 PolarHBondContact O-N 3.33Å; V1192-C1195 PolarHBondContact O-N 3.4Å; V1192-L1196 HydrophobicContact CG1-CD1 3.98Å; V1192-L1196 VanDerWaalsContact O-CG 3.24Å; V1192-L1196 WeakPolarHBondContact O-CG 3.43Å; V1192-L1196 PolarHBondContact O-N 3.25Å; V1192-L1227 HydrophobicContact CG2-CD1 4.17Å; V1192-L1227 HydrophobicContact CG2-CD2 4.14Å; V1192-L1282 HydrophobicContact CG2-CD1 4.28Å; V1192-L1282 HydrophobicContact CG2-CD2 4.24Å; V1192-L1287 HydrophobicContact CG1-CD2 3.68Å; V1192-W1290 HydrophobicContact CG1-CZ3 4.23Å; V1192-L1316 HydrophobicContact CG1-CD2 4.31Å; V1192-L1316 HydrophobicContact CG2-CD2 4.37Å |
| 1193 | D | 80.7 | Confident | 72.1 | Confident | 14 Ų | 14 | 37.4 Ų | 37.4 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | -179.3 | -66.6 | -29.8 | 0 | 0 | 0 | 110.9 | L1189 R1190 L1196 N1197 V1198 R1200 W1290 | L1189-D1193 PolarHBondContact O-N 3.42Å; R1190-D1193 PolarHBondContact O-N 3.23Å; D1193-L1196 CarbonylContact O-C 3.59Å; D1193-L1196 PolarHBondContact O-N 3.48Å; D1193-N1197 PolarHBondContact O-N 2.81Å; D1193-N1197 VanDerWaalsContact O-N 3.11Å; D1193-V1198 HydrophobicContact CB-CB 4.47Å; D1193-V1198 PolarHBondContact O-N 2.95Å; D1193-R1200 VanDerWaalsContact CG-NE 3.34Å; D1193-R1200 IonicContact OD1-CZ 3.96Å; D1193-R1200 IonicContact OD1-NE 2.7Å; D1193-R1200 PolarHBondContact OD1-NE 3.29Å; D1193-R1200 IonicContact OD1-NH2 3.62Å; D1193-R1200 PolarHBondContact OD1-NH2 3Å; D1193-R1200 IonicContact OD2-CZ 2.67Å; D1193-R1200 IonicContact OD2-NE 2.66Å; D1193-R1200 PolarHBondContact OD2-NE 3.24Å; D1193-R1200 IonicContact OD2-NH2 3.91Å; D1193-W1290 WeakPolarHBondContact OD1-CH2 3.35Å |
| 1194 | T | 75.3 | Confident | 70 | Confident | 31 Ų | 31 | 36.9 Ų | 36.9 | 19% | 0.19 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74 | -35.5 | 173.3 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | Y1114 R1190 L1191 V1192 L1196 N1197 I1223 | Y1114-T1194 HydrophobicContact CE1-CG2 4.26Å; R1190-T1194 WeakPolarHBondContact O-CG2 3.43Å; R1190-T1194 PolarHBondContact O-N 3.24Å; R1190-T1194 PolarHBondContact O-OG1 2.59Å; R1190-T1194 VanDerWaalsContact O-OG1 3.08Å; L1191-T1194 PolarHBondContact O-OG1 2.88Å; V1192-T1194 VanDerWaalsContact C-N 3.35Å; V1192-T1194 PolarHBondContact O-N 3.33Å; T1194-L1196 PolarHBondContact O-N 2.84Å; T1194-N1197 PolarHBondContact O-N 2.82Å; T1194-N1197 PolarHBondContact O-OD1 3.43Å; T1194-N1197 VanDerWaalsContact O-OD1 3.11Å; T1194-I1223 WeakPolarHBondContact OG1-CG2 3.18Å |
| 1195 | C | 77.2 | Confident | 67.8 | Low | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.3 | -26.4 | 167.8 | -85.1 | 0 | 0 | 0 | 0 | 113.4 | L1191 V1192 V1219 L1316 | L1191-C1195 VanDerWaalsContact O-CB 3.26Å; L1191-C1195 WeakPolarHBondContact O-CB 3.44Å; L1191-C1195 PolarHBondContact O-N 3.08Å; L1191-C1195 PolarHBondContact O-SG 2.87Å; L1191-C1195 VanDerWaalsContact O-SG 3.35Å; V1192-C1195 PolarHBondContact O-N 3.4Å; C1195-V1219 WeakPolarHBondContact O-CG2 3.37Å; C1195-L1316 HydrophobicContact CB-CD1 4.41Å; C1195-L1316 HydrophobicContact CB-CD2 3.99Å |
| 1196 | L | 77.5 | Confident | 65.3 | Low | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -4.6 | 175.5 | -64.3 | 169.9 | 0 | 0 | 0 | 112.8 | V1192 D1193 T1194 V1198 W1290 R1312 L1313 L1316 | V1192-L1196 HydrophobicContact CG1-CD1 3.98Å; V1192-L1196 VanDerWaalsContact O-CG 3.24Å; V1192-L1196 WeakPolarHBondContact O-CG 3.43Å; V1192-L1196 PolarHBondContact O-N 3.25Å; D1193-L1196 CarbonylContact O-C 3.59Å; D1193-L1196 PolarHBondContact O-N 3.48Å; T1194-L1196 PolarHBondContact O-N 2.84Å; L1196-V1198 HydrophobicContact CB-CB 4.47Å; L1196-V1198 HydrophobicContact CB-CG2 3.76Å; L1196-W1290 HydrophobicContact CD1-CE3 4.48Å; L1196-W1290 HydrophobicContact CD1-CH2 3.59Å; L1196-W1290 HydrophobicContact CD1-CZ3 3.53Å; L1196-R1312 HydrophobicContact CD2-CB 3.85Å; L1196-R1312 PolarHBondContact O-NH1 3.48Å; L1196-L1313 HydrophobicContact CD1-CD1 3.88Å; L1196-L1313 HydrophobicContact CD2-CB 4.17Å; L1196-L1313 HydrophobicContact CD2-CD1 4.49Å; L1196-L1316 HydrophobicContact CD1-CD2 4.18Å; L1196-L1316 HydrophobicContact CD2-CB 4.17Å; L1196-L1316 HydrophobicContact CD2-CD2 3.75Å; L1196-L1316 HydrophobicContact CG-CD2 3.74Å |
| 1197 | N | 74.5 | Confident | 63.3 | Low | 21 Ų | 21 | 53.2 Ų | 53.2 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 58 | -169.3 | -76.7 | -30.7 | 0 | 0 | 0 | 111.6 | D1193 T1194 L1214 K1216 V1218 | D1193-N1197 PolarHBondContact O-N 2.81Å; D1193-N1197 VanDerWaalsContact O-N 3.11Å; T1194-N1197 PolarHBondContact O-N 2.82Å; T1194-N1197 PolarHBondContact O-OD1 3.43Å; T1194-N1197 VanDerWaalsContact O-OD1 3.11Å; N1197-L1214 HydrophobicContact CB-CB 4.19Å; N1197-L1214 WeakPolarHBondContact O-CB 3.26Å; N1197-L1214 PolarHBondContact O-N 3.14Å; N1197-K1216 PolarHBondContact ND2-O 3.2Å; N1197-V1218 PolarHBondContact ND2-O 2.9Å |
| 1198 | V | 71.7 | Confident | 61 | Low | 9 Ų | 9 | 55.9 Ų | 55.9 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -123 | 127.9 | -178.5 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | D1193 L1196 M1211 L1309 | D1193-V1198 HydrophobicContact CB-CB 4.47Å; D1193-V1198 PolarHBondContact O-N 2.95Å; L1196-V1198 HydrophobicContact CB-CB 4.47Å; L1196-V1198 HydrophobicContact CB-CG2 3.76Å; V1198-M1211 HydrophobicContact CB-CE 4.35Å; V1198-M1211 HydrophobicContact CG1-CE 3.69Å; V1198-M1211 HydrophobicContact CG1-CG 3.65Å; V1198-M1211 HydrophobicContact CG1-SD 4.12Å; V1198-M1211 HydrophobicContact CG2-CE 3.65Å; V1198-L1309 HydrophobicContact CG2-CD1 3.76Å |
| 1199 | C | 63.3 | Low | 58.9 | Low | 33 Ų | 33 | 61.6 Ų | 61.6 | 22% | 0.223 | 34% | 0.337 | C | S | . | . | trans | -93.7 | 144.5 | 159.5 | -165.4 | 0 | 0 | 0 | 0 | 110.2 | D1201 T1212 | C1199-D1201 PolarHBondContact SG-OD1 3.01Å; C1199-D1201 VanDerWaalsContact SG-OD1 3.4Å; C1199-T1212 PolarHBondContact N-O 3.38Å; C1199-T1212 PolarHBondContact O-N 2.98Å | ||
| 1200 | R | 62.4 | Low | 57.2 | Low | 78 Ų | 78 | 66.8 Ų | 66.8 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | trans | -110.9 | 108.5 | 167.6 | -62.3 | -176.6 | -169.3 | -84.1 | -7.4 | 107 | D1193 H1202 W1290 | D1193-R1200 VanDerWaalsContact CG-NE 3.34Å; D1193-R1200 IonicContact OD1-CZ 3.96Å; D1193-R1200 IonicContact OD1-NE 2.7Å; D1193-R1200 PolarHBondContact OD1-NE 3.29Å; D1193-R1200 IonicContact OD1-NH2 3.62Å; D1193-R1200 PolarHBondContact OD1-NH2 3Å; D1193-R1200 IonicContact OD2-CZ 2.67Å; D1193-R1200 IonicContact OD2-NE 2.66Å; D1193-R1200 PolarHBondContact OD2-NE 3.24Å; D1193-R1200 IonicContact OD2-NH2 3.91Å; R1200-H1202 PolarHBondContact O-CD2 3.41Å; R1200-H1202 PolarHBondContact O-N 2.86Å; R1200-H1202 VanDerWaalsContact O-N 3.11Å; R1200-W1290 VanDerWaalsContact NH2-CZ3 3.28Å | ||
| 1201 | D | 45 | Very low | 56.2 | Low | 51 Ų | 51 | 65.2 Ų | 65.2 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | trans | -75.5 | 109.6 | -174.2 | -57.9 | -49 | 0 | 0 | 0 | 108.9 | C1199 H1210 T1212 | C1199-D1201 PolarHBondContact SG-OD1 3.01Å; C1199-D1201 VanDerWaalsContact SG-OD1 3.4Å; D1201-H1210 PolarHBondContact N-O 3.5Å; D1201-H1210 VanDerWaalsContact N-O 3.16Å; D1201-T1212 WeakPolarHBondContact OD2-CB 3.35Å; D1201-T1212 PolarHBondContact OD2-OG1 3.18Å | ||
| 1202 | H | 45.2 | Very low | 54.9 | Low | 148 Ų | 148 | 68.1 Ų | 68.1 | 69% | 0.685 | 38% | 0.375 | S | S | * | . | trans | -96.2 | 8.2 | -174.9 | -76.6 | -49.5 | 0 | 0 | 0 | 113.3 | R1200 | R1200-H1202 PolarHBondContact O-CD2 3.41Å; R1200-H1202 PolarHBondContact O-N 2.86Å; R1200-H1202 VanDerWaalsContact O-N 3.11Å | ||
| 1203 | I | 33.7 | Very low | 53.7 | Low | 115 Ų | 115 | 69.9 Ų | 69.9 | 59% | 0.59 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -104 | -15.9 | -157.7 | -67.1 | 167.9 | 0 | 0 | 0 | 113.6 | L1099 | L1099-I1203 HydrophobicContact CD2-CD1 3.83Å; L1099-I1203 HydrophobicContact CD2-CG1 4.31Å |
| 1204 | T | 31.4 | Very low | 52.5 | Low | 89 Ų | 89 | 72.9 Ų | 72.9 | 55% | 0.546 | 40% | 0.4 | S | S | . | . | trans | -113.3 | 124.2 | 178.1 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | D1206 | T1204-D1206 PolarHBondContact O-N 3.02Å; T1204-D1206 VanDerWaalsContact O-N 3.17Å | ||
| 1205 | D | 33.1 | Very low | 51.4 | Low | 170 Ų | 170 | 76.6 Ų | 76.6 | 91% | 0.909 | 43% | 0.427 | S | S | * | . | trans | -65.8 | -10.2 | 174.8 | -89.4 | -47.5 | 0 | 0 | 0 | 113.7 | S1207 | D1205-S1207 PolarHBondContact O-N 3.26Š| ||
| 1206 | D | 29.3 | Very low | 50.3 | Low | 129 Ų | 129 | 84.3 Ų | 84.3 | 69% | 0.69 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -68.8 | 76.9 | 173.1 | -73.7 | -43.5 | 0 | 0 | 0 | 112.2 | T1204 S1208 | T1204-D1206 PolarHBondContact O-N 3.02Å; T1204-D1206 VanDerWaalsContact O-N 3.17Å; D1206-S1208 PolarHBondContact O-N 2.96Å; D1206-S1208 PolarHBondContact O-OG 3.26Å |
| 1207 | S | 35.4 | Very low | 49.2 | Very low | 110 Ų | 110 | 90.1 Ų | 90.1 | 77% | 0.769 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 17.6 | -30.6 | 163.6 | 63.3 | 0 | 0 | 0 | 0 | 122.9 | D1205 T1209 | D1205-S1207 PolarHBondContact O-N 3.26Å; S1207-T1209 PolarHBondContact O-N 3.45Å |
| 1208 | S | 33.9 | Very low | 48.3 | Very low | 72 Ų | 72 | 94.2 Ų | 94.2 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | trans | -73.1 | 112.4 | 166.7 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | D1206 H1210 | D1206-S1208 PolarHBondContact O-N 2.96Å; D1206-S1208 PolarHBondContact O-OG 3.26Å; S1208-H1210 PolarHBondContact O-N 2.91Å | ||
| 1209 | T | 41.4 | Very low | 47.7 | Very low | 120 Ų | 120 | 94.5 Ų | 94.5 | 74% | 0.736 | 52% | 0.523 | S | S | * | . | trans | -68 | 87 | 164.1 | 56.8 | 0 | 0 | 0 | 0 | 108.5 | S1207 M1211 | S1207-T1209 PolarHBondContact O-N 3.45Å; T1209-M1211 PolarHBondContact O-N 3.37Å | ||
| 1210 | H | 46.4 | Very low | 47.8 | Very low | 128 Ų | 128 | 97.6 Ų | 97.6 | 59% | 0.593 | 54% | 0.537 | S | S | * | . | trans | -61.4 | 136 | 173.7 | -124.8 | -98.7 | 0 | 0 | 0 | 108.6 | D1201 S1208 | D1201-H1210 PolarHBondContact N-O 3.5Å; D1201-H1210 VanDerWaalsContact N-O 3.16Å; S1208-H1210 PolarHBondContact O-N 2.91Å | ||
| 1211 | M | 56 | Low | 48 | Very low | 51 Ų | 51 | 98.1 Ų | 98.1 | 25% | 0.251 | 55% | 0.546 | S | S | . | . | trans | -123.6 | 87.1 | -170 | -174.2 | -174.6 | 130.4 | 0 | 0 | 107.4 | V1198 T1209 I1213 W1290 L1309 | V1198-M1211 HydrophobicContact CB-CE 4.35Å; V1198-M1211 HydrophobicContact CG1-CE 3.69Å; V1198-M1211 HydrophobicContact CG1-CG 3.65Å; V1198-M1211 HydrophobicContact CG1-SD 4.12Å; V1198-M1211 HydrophobicContact CG2-CE 3.65Å; T1209-M1211 PolarHBondContact O-N 3.37Å; M1211-I1213 HydrophobicContact CE-CD1 4.34Å; M1211-I1213 HydrophobicContact CE-CG1 3.91Å; M1211-I1213 PolarHBondContact O-N 2.89Å; M1211-I1213 VanDerWaalsContact O-N 3.11Å; M1211-W1290 HydrophobicContact CE-CZ2 3.74Å; M1211-W1290 HydrophobicContact SD-CZ2 3.73Å; M1211-L1309 HydrophobicContact CE-CD1 3.56Å; M1211-L1309 HydrophobicContact CE-CD2 3.33Å; M1211-L1309 HydrophobicContact CE-CG 4.04Å; M1211-L1309 HydrophobicContact SD-CD2 4.48Å | ||
| 1212 | T | 55.8 | Low | 49.1 | Very low | 60 Ų | 60 | 96.8 Ų | 96.8 | 37% | 0.368 | 54% | 0.539 | S | S | . | . | trans | -71.9 | 105.2 | -177 | -64.1 | 0 | 0 | 0 | 0 | 109.5 | C1199 D1201 L1214 | C1199-T1212 PolarHBondContact N-O 3.38Å; C1199-T1212 PolarHBondContact O-N 2.98Å; D1201-T1212 WeakPolarHBondContact OD2-CB 3.35Å; D1201-T1212 PolarHBondContact OD2-OG1 3.18Å; T1212-L1214 HydrophobicContact CG2-CD2 4.26Å | ||
| 1213 | I | 58.8 | Low | 50.4 | Low | 37 Ų | 37 | 90 Ų | 90 | 19% | 0.19 | 51% | 0.507 | C | S | . | . | B | Isolated β-bridge | trans | -79.1 | 118.1 | 176.9 | -61.4 | 170.3 | 0 | 0 | 0 | 107.6 | M1211 D1305 I1306 L1309 | M1211-I1213 HydrophobicContact CE-CD1 4.34Å; M1211-I1213 HydrophobicContact CE-CG1 3.91Å; M1211-I1213 PolarHBondContact O-N 2.89Å; M1211-I1213 VanDerWaalsContact O-N 3.11Å; I1213-D1305 HydrophobicContact CB-CB 4.46Å; I1213-D1305 HydrophobicContact CD1-CB 3.96Å; I1213-D1305 HydrophobicContact CG2-CB 4.33Å; I1213-I1306 HydrophobicContact CD1-CG1 4.36Å; I1213-L1309 HydrophobicContact CD1-CB 4.13Å; I1213-L1309 HydrophobicContact CD1-CD2 4.18Å |
| 1214 | L | 55.9 | Low | 52.2 | Low | 78 Ų | 78 | 84.8 Ų | 84.8 | 41% | 0.408 | 48% | 0.481 | S | S | . | . | trans | -84.8 | 135.2 | 177.9 | -57.8 | 172.1 | 0 | 0 | 0 | 109.3 | N1197 T1212 K1216 R1312 | N1197-L1214 HydrophobicContact CB-CB 4.19Å; N1197-L1214 WeakPolarHBondContact O-CB 3.26Å; N1197-L1214 PolarHBondContact O-N 3.14Å; T1212-L1214 HydrophobicContact CG2-CD2 4.26Å; L1214-K1216 VanDerWaalsContact C-N 3.32Å; L1214-K1216 PolarHBondContact O-N 2.97Å; L1214-R1312 PolarHBondContact O-NH1 3.08Å | ||
| 1215 | S | 52.6 | Low | 54.2 | Low | 109 Ų | 109 | 82.7 Ų | 82.7 | 76% | 0.762 | 46% | 0.463 | S | S | * | . | trans | -82 | -4.2 | -174.8 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | T1217 | S1215-T1217 PolarHBondContact O-N 3.42Š| ||
| 1216 | K | 53.9 | Low | 56.3 | Low | 162 Ų | 162 | 74.6 Ų | 74.6 | 70% | 0.704 | 42% | 0.42 | S | S | * | . | trans | -60.6 | 130.8 | 173.1 | -72 | -172.2 | 175.9 | -176.6 | 0 | 109.9 | N1197 L1214 | N1197-K1216 PolarHBondContact ND2-O 3.2Å; L1214-K1216 VanDerWaalsContact C-N 3.32Å; L1214-K1216 PolarHBondContact O-N 2.97Å | ||
| 1217 | T | 53.8 | Low | 58.8 | Low | 122 Ų | 122 | 68.5 Ų | 68.5 | 75% | 0.748 | 39% | 0.387 | S | S | * | . | trans | -90.8 | -36 | 179.4 | 47.7 | 0 | 0 | 0 | 0 | 112.6 | S1215 | S1215-T1217 PolarHBondContact O-N 3.42Š| ||
| 1218 | V | 55.3 | Low | 61 | Low | 108 Ų | 108 | 65.1 Ų | 65.1 | 66% | 0.655 | 36% | 0.357 | S | S | * | . | trans | -73.8 | 129.2 | 176.1 | -174 | 0 | 0 | 0 | 0 | 109.5 | N1197 | N1197-V1218 PolarHBondContact ND2-O 2.9Š| ||
| 1219 | V | 58.4 | Low | 63.1 | Low | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.085 | 34% | 0.335 | C | S | . | . | trans | -105.8 | 130.8 | 169.5 | 175.5 | 0 | 0 | 0 | 0 | 107.3 | C1195 L1221 I1223 I1224 Y1414 | C1195-V1219 WeakPolarHBondContact O-CG2 3.37Å; V1219-L1221 PolarHBondContact O-N 2.89Å; V1219-I1223 HydrophobicContact CG1-CB 4.41Å; V1219-I1223 HydrophobicContact CG1-CD1 4.31Å; V1219-I1224 HydrophobicContact CB-CD1 4.3Å; V1219-I1224 HydrophobicContact CG1-CD1 4.05Å; V1219-I1224 HydrophobicContact CG1-CG1 3.97Å; V1219-Y1414 HydrophobicContact CG2-CD1 4.38Å; V1219-Y1414 HydrophobicContact CG2-CE1 3.99Å | ||
| 1220 | D | 66.6 | Low | 65.1 | Low | 98 Ų | 98 | 56.4 Ų | 56.4 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | trans | -62.6 | 133.6 | -179.6 | -61 | -51.5 | 0 | 0 | 0 | 111.5 | D1222 I1223 I1224 | D1220-D1222 PolarHBondContact O-N 2.92Å; D1220-D1222 VanDerWaalsContact O-N 3.16Å; D1220-I1223 HydrophobicContact CB-CD1 3.93Å; D1220-I1223 HydrophobicContact CB-CG1 4.18Å; D1220-I1223 WeakPolarHBondContact O-CB 3.46Å; D1220-I1223 PolarHBondContact O-N 3.31Å; D1220-I1224 PolarHBondContact O-N 2.93Å | ||
| 1221 | L | 66.8 | Low | 66.9 | Low | 89 Ų | 89 | 50.4 Ų | 50.4 | 47% | 0.466 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.1 | -26.7 | 178.2 | -74.5 | 86.2 | 0 | 0 | 0 | 112.1 | V1219 I1223 I1224 Y1225 | V1219-L1221 PolarHBondContact O-N 2.89Å; L1221-I1223 VanDerWaalsContact C-N 3.26Å; L1221-I1223 PolarHBondContact O-N 3.43Å; L1221-I1224 PolarHBondContact O-N 2.96Å; L1221-Y1225 HydrophobicContact CB-CD2 4.06Å; L1221-Y1225 HydrophobicContact CB-CE2 3.9Å; L1221-Y1225 HydrophobicContact CD2-CE2 3.95Å; L1221-Y1225 HydrophobicContact CG-CE2 4.5Å; L1221-Y1225 WeakPolarHBondContact O-CB 3.39Å; L1221-Y1225 WeakPolarHBondContact O-CD2 3.29Å; L1221-Y1225 PolarHBondContact O-N 3.44Å |
| 1222 | D | 66.4 | Low | 67.8 | Low | 24 Ų | 24 | 48 Ų | 48 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.3 | -39.3 | 173.5 | -159.8 | 91.1 | 0 | 0 | 0 | 111 | R1044 S1113 Y1114 I1115 D1220 S1226 | R1044-D1222 IonicContact CZ-OD1 2.71Å; R1044-D1222 IonicContact NH2-OD1 3.52Å; R1044-D1222 PolarHBondContact NH2-OD1 3.38Å; S1113-D1222 PolarHBondContact OG-OD1 3.23Å; S1113-D1222 PolarHBondContact OG-OD2 3.38Å; Y1114-D1222 WeakPolarHBondContact CA-OD2 3.29Å; Y1114-D1222 WeakPolarHBondContact CB-OD2 3.33Å; Y1114-D1222 PolarHBondContact N-OD2 2.95Å; I1115-D1222 HydrophobicContact CD1-CB 4.37Å; I1115-D1222 WeakPolarHBondContact CD1-OD1 3.2Å; I1115-D1222 HydrophobicContact CG1-CB 4.49Å; I1115-D1222 VanDerWaalsContact CG1-O 3.23Å; I1115-D1222 WeakPolarHBondContact CG1-O 3.45Å; I1115-D1222 PolarHBondContact N-OD2 3.47Å; D1220-D1222 PolarHBondContact O-N 2.92Å; D1220-D1222 VanDerWaalsContact O-N 3.16Å; D1222-S1226 VanDerWaalsContact O-CB 3.28Å; D1222-S1226 WeakPolarHBondContact O-CB 3.35Å; D1222-S1226 PolarHBondContact O-N 3.09Å; D1222-S1226 PolarHBondContact O-OG 3.05Å |
| 1223 | I | 73.8 | Confident | 68.8 | Low | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.5 | -46.7 | 176.7 | -55.8 | 162.4 | 0 | 0 | 0 | 110.6 | Y1114 L1191 T1194 V1219 D1220 L1221 S1226 L1227 | Y1114-I1223 HydrophobicContact CD1-CG1 4.43Å; Y1114-I1223 HydrophobicContact CD2-CD1 4.36Å; Y1114-I1223 HydrophobicContact CD2-CG1 3.51Å; Y1114-I1223 HydrophobicContact CE2-CD1 4.05Å; Y1114-I1223 HydrophobicContact CE2-CG1 3.69Å; Y1114-I1223 HydrophobicContact CG-CG1 3.91Å; L1191-I1223 HydrophobicContact CD2-CG2 4.01Å; T1194-I1223 WeakPolarHBondContact OG1-CG2 3.18Å; V1219-I1223 HydrophobicContact CG1-CB 4.41Å; V1219-I1223 HydrophobicContact CG1-CD1 4.31Å; D1220-I1223 HydrophobicContact CB-CD1 3.93Å; D1220-I1223 HydrophobicContact CB-CG1 4.18Å; D1220-I1223 WeakPolarHBondContact O-CB 3.46Å; D1220-I1223 PolarHBondContact O-N 3.31Å; L1221-I1223 VanDerWaalsContact C-N 3.26Å; L1221-I1223 PolarHBondContact O-N 3.43Å; I1223-S1226 WeakPolarHBondContact O-CB 3.47Å; I1223-S1226 PolarHBondContact O-N 3.38Å; I1223-L1227 PolarHBondContact O-N 3.15Å |
| 1224 | I | 71.4 | Confident | 69.9 | Low | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -49.2 | -179.5 | -72.1 | 164.3 | 0 | 0 | 0 | 110.7 | V1219 D1220 L1221 L1227 R1228 Y1414 L1415 P1417 | V1219-I1224 HydrophobicContact CB-CD1 4.3Å; V1219-I1224 HydrophobicContact CG1-CD1 4.05Å; V1219-I1224 HydrophobicContact CG1-CG1 3.97Å; D1220-I1224 PolarHBondContact O-N 2.93Å; L1221-I1224 PolarHBondContact O-N 2.96Å; I1224-L1227 PolarHBondContact O-N 3.32Å; I1224-R1228 WeakPolarHBondContact O-CB 3.36Å; I1224-R1228 PolarHBondContact O-N 2.87Å; I1224-Y1414 WeakPolarHBondContact CD1-O 3.47Å; I1224-Y1414 WeakPolarHBondContact CG1-O 3.36Å; I1224-Y1414 WeakPolarHBondContact CG2-O 3.25Å; I1224-L1415 HydrophobicContact CG2-CD2 4.47Å; I1224-P1417 HydrophobicContact CD1-CG 4.46Å |
| 1225 | Y | 72.2 | Confident | 70.7 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67 | -34.6 | 176.3 | -70 | -55.9 | 0 | 0 | 0 | 112.1 | I1048 L1221 R1228 L1229 | I1048-Y1225 HydrophobicContact CG2-CD1 4.32Å; I1048-Y1225 HydrophobicContact CG2-CD2 4.03Å; I1048-Y1225 HydrophobicContact CG2-CG 3.75Å; L1221-Y1225 HydrophobicContact CB-CD2 4.06Å; L1221-Y1225 HydrophobicContact CB-CE2 3.9Å; L1221-Y1225 HydrophobicContact CD2-CE2 3.95Å; L1221-Y1225 HydrophobicContact CG-CE2 4.5Å; L1221-Y1225 WeakPolarHBondContact O-CB 3.39Å; L1221-Y1225 WeakPolarHBondContact O-CD2 3.29Å; L1221-Y1225 PolarHBondContact O-N 3.44Å; Y1225-R1228 PolarHBondContact O-N 2.74Å; Y1225-L1229 WeakPolarHBondContact O-CB 3.05Å; Y1225-L1229 PolarHBondContact O-N 2.8Å |
| 1226 | S | 77.9 | Confident | 71.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60 | -48.5 | 171.8 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | Y1114 I1115 D1222 I1223 L1229 V1230 | Y1114-S1226 WeakPolarHBondContact CB-OG 3.39Å; Y1114-S1226 PolarHBondContact O-OG 2.96Å; I1115-S1226 VanDerWaalsContact CA-OG 3.26Å; I1115-S1226 WeakPolarHBondContact CA-OG 3.47Å; I1115-S1226 WeakPolarHBondContact CG1-OG 3.43Å; I1115-S1226 PolarHBondContact N-OG 3.47Å; D1222-S1226 VanDerWaalsContact O-CB 3.28Å; D1222-S1226 WeakPolarHBondContact O-CB 3.35Å; D1222-S1226 PolarHBondContact O-N 3.09Å; D1222-S1226 PolarHBondContact O-OG 3.05Å; I1223-S1226 WeakPolarHBondContact O-CB 3.47Å; I1223-S1226 PolarHBondContact O-N 3.38Å; S1226-L1229 PolarHBondContact O-N 3.48Å; S1226-V1230 WeakPolarHBondContact O-CG2 3.19Å; S1226-V1230 PolarHBondContact O-N 2.55Å |
| 1227 | L | 82.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.3 | -44.1 | 180 | -177.2 | 58.7 | 0 | 0 | 0 | 110.6 | L1191 V1192 I1223 I1224 L1229 V1230 L1231 L1316 L1415 | L1191-L1227 HydrophobicContact CB-CB 4.29Å; L1191-L1227 HydrophobicContact CB-CD1 4.2Å; V1192-L1227 HydrophobicContact CG2-CD1 4.17Å; V1192-L1227 HydrophobicContact CG2-CD2 4.14Å; I1223-L1227 PolarHBondContact O-N 3.15Å; I1224-L1227 PolarHBondContact O-N 3.32Å; L1227-L1229 PolarHBondContact O-N 3.46Å; L1227-V1230 PolarHBondContact O-N 3.11Å; L1227-L1231 HydrophobicContact CD1-CD1 3.96Å; L1227-L1231 HydrophobicContact CD1-CG 4.05Å; L1227-L1231 HydrophobicContact CG-CD1 3.91Å; L1227-L1231 HydrophobicContact CG-CG 4.39Å; L1227-L1231 VanDerWaalsContact O-CB 3.26Å; L1227-L1231 WeakPolarHBondContact O-CB 3.37Å; L1227-L1231 VanDerWaalsContact O-CG 3.24Å; L1227-L1231 WeakPolarHBondContact O-CG 3.35Å; L1227-L1231 PolarHBondContact O-N 3.29Å; L1227-L1316 HydrophobicContact CD2-CD1 4.1Å; L1227-L1415 HydrophobicContact CD2-CD2 4.39Å |
| 1228 | R | 80.4 | Confident | 72.9 | Confident | 39 Ų | 39 | 23.5 Ų | 23.5 | 15% | 0.147 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.4 | -43.4 | 174.4 | -174.8 | 174.3 | 165.7 | 133.7 | -0.9 | 112 | S1052 I1224 Y1225 S1232 Y1323 L1415 | S1052-R1228 PolarHBondContact OG-NE 3.46Å; S1052-R1228 VanDerWaalsContact OG-NE 3.12Å; I1224-R1228 WeakPolarHBondContact O-CB 3.36Å; I1224-R1228 PolarHBondContact O-N 2.87Å; Y1225-R1228 PolarHBondContact O-N 2.74Å; R1228-S1232 WeakPolarHBondContact O-CB 3.4Å; R1228-S1232 PolarHBondContact O-N 2.69Å; R1228-S1232 PolarHBondContact O-OG 2.97Å; R1228-Y1323 HydrophobicContact CG-CE1 4.03Å; R1228-Y1323 HydrophobicContact CG-CE2 4.05Å; R1228-Y1323 WeakPolarHBondContact CG-OH 3.47Å; R1228-L1415 PolarHBondContact NH1-O 3.23Å; R1228-L1415 VanDerWaalsContact NH1-O 3.1Å |
| 1229 | L | 79.6 | Confident | 73.3 | Confident | 7 Ų | 7 | 19.5 Ų | 19.5 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.8 | -49.3 | 178.1 | -178.6 | 66.8 | 0 | 0 | 0 | 112 | L1051 F1055 L1119 L1122 Y1225 S1226 L1227 S1232 A1233 | L1051-L1229 HydrophobicContact CB-CD1 4.01Å; F1055-L1229 HydrophobicContact CD2-CD1 3.44Å; F1055-L1229 VanDerWaalsContact CD2-CD1 3.44Å; F1055-L1229 HydrophobicContact CE2-CD1 3.89Å; F1055-L1229 HydrophobicContact CG-CD1 4.37Å; L1119-L1229 HydrophobicContact CD2-CD2 3.75Å; L1119-L1229 HydrophobicContact CG-CD2 4.49Å; L1122-L1229 HydrophobicContact CD1-CG 4.35Å; Y1225-L1229 WeakPolarHBondContact O-CB 3.05Å; Y1225-L1229 PolarHBondContact O-N 2.8Å; S1226-L1229 PolarHBondContact O-N 3.48Å; L1227-L1229 PolarHBondContact O-N 3.46Å; L1229-S1232 PolarHBondContact O-N 3.28Å; L1229-A1233 WeakPolarHBondContact O-CB 3.31Å; L1229-A1233 PolarHBondContact O-N 2.92Å |
| 1230 | V | 82.6 | Confident | 73.3 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 178.2 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | A1118 I1184 L1187 C1188 L1191 S1226 L1227 M1234 L1278 | A1118-V1230 HydrophobicContact CB-CG2 3.82Å; I1184-V1230 HydrophobicContact CG2-CG1 4.24Å; L1187-V1230 HydrophobicContact CD2-CG2 4.47Å; C1188-V1230 HydrophobicContact CB-CG1 4.45Å; L1191-V1230 HydrophobicContact CD1-CG2 4.29Å; S1226-V1230 WeakPolarHBondContact O-CG2 3.19Å; S1226-V1230 PolarHBondContact O-N 2.55Å; L1227-V1230 PolarHBondContact O-N 3.11Å; V1230-M1234 VanDerWaalsContact O-CB 3.27Å; V1230-M1234 WeakPolarHBondContact O-CB 3.19Å; V1230-M1234 WeakPolarHBondContact O-CG 3.27Å; V1230-M1234 PolarHBondContact O-N 3.46Å; V1230-L1278 HydrophobicContact CG1-CD2 3.91Å |
| 1231 | L | 83.2 | Confident | 73.3 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 175.9 | -73.1 | 175.6 | 0 | 0 | 0 | 111.7 | L1227 A1235 L1279 L1282 I1320 Y1323 | L1227-L1231 HydrophobicContact CD1-CD1 3.96Å; L1227-L1231 HydrophobicContact CD1-CG 4.05Å; L1227-L1231 HydrophobicContact CG-CD1 3.91Å; L1227-L1231 HydrophobicContact CG-CG 4.39Å; L1227-L1231 VanDerWaalsContact O-CB 3.26Å; L1227-L1231 WeakPolarHBondContact O-CB 3.37Å; L1227-L1231 VanDerWaalsContact O-CG 3.24Å; L1227-L1231 WeakPolarHBondContact O-CG 3.35Å; L1227-L1231 PolarHBondContact O-N 3.29Å; L1231-A1235 WeakPolarHBondContact O-CA 3.35Å; L1231-A1235 WeakPolarHBondContact O-CB 3.41Å; L1231-A1235 PolarHBondContact O-N 2.9Å; L1231-L1279 HydrophobicContact CD2-CD1 4.3Å; L1231-L1282 HydrophobicContact CD2-CD2 4.07Å; L1231-I1320 HydrophobicContact CD1-CD1 4.46Å; L1231-I1320 HydrophobicContact CD1-CG1 3.91Å; L1231-I1320 HydrophobicContact CD1-CG2 4.28Å; L1231-Y1323 HydrophobicContact CB-CD1 4.47Å |
| 1232 | S | 76.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.1 | -61.7 | 173.2 | -53.7 | 0 | 0 | 0 | 0 | 110.2 | F1059 R1228 L1229 M1234 Y1323 | F1059-S1232 WeakPolarHBondContact CE2-O 3.18Å; F1059-S1232 WeakPolarHBondContact CZ-O 3.38Å; R1228-S1232 WeakPolarHBondContact O-CB 3.4Å; R1228-S1232 PolarHBondContact O-N 2.69Å; R1228-S1232 PolarHBondContact O-OG 2.97Å; L1229-S1232 PolarHBondContact O-N 3.28Å; S1232-M1234 PolarHBondContact O-N 3.27Å; S1232-M1234 VanDerWaalsContact O-N 3.09Å; S1232-Y1323 WeakPolarHBondContact OG-CE1 3.41Å; S1232-Y1323 PolarHBondContact OG-OH 3.48Å |
| 1233 | A | 77.3 | Confident | 72.7 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.1 | -25.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1055 L1066 L1122 L1229 | F1055-A1233 HydrophobicContact CD1-CB 3.78Å; F1055-A1233 HydrophobicContact CE1-CB 3.78Å; F1055-A1233 HydrophobicContact CG-CB 4.25Å; F1055-A1233 HydrophobicContact CZ-CB 4.22Å; L1066-A1233 HydrophobicContact CD2-CB 4.19Å; L1122-A1233 HydrophobicContact CD1-CB 4.05Å; L1122-A1233 HydrophobicContact CD2-CB 3.98Å; L1229-A1233 WeakPolarHBondContact O-CB 3.31Å; L1229-A1233 PolarHBondContact O-N 2.92Å |
| 1234 | M | 80.7 | Confident | 71.9 | Confident | 9 Ų | 9 | 19.4 Ų | 19.4 | 4% | 0.044 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -120.7 | -0.8 | -172.7 | -56.9 | -61.1 | -60.8 | 0 | 0 | 115.2 | L1122 W1125 I1184 V1230 S1232 F1236 V1237 L1278 | L1122-M1234 HydrophobicContact CD2-CG 3.85Å; L1122-M1234 HydrophobicContact CD2-SD 3.88Å; W1125-M1234 HydrophobicContact CD2-CE 4.12Å; W1125-M1234 HydrophobicContact CD2-SD 4.47Å; W1125-M1234 HydrophobicContact CE3-CE 4.38Å; W1125-M1234 HydrophobicContact CE3-SD 4.24Å; W1125-M1234 HydrophobicContact CH2-CE 4.14Å; W1125-M1234 HydrophobicContact CH2-SD 4.5Å; W1125-M1234 HydrophobicContact CZ2-CE 3.85Å; W1125-M1234 HydrophobicContact CZ3-CE 4.4Å; W1125-M1234 HydrophobicContact CZ3-SD 4.26Å; I1184-M1234 HydrophobicContact CD1-CE 3.78Å; I1184-M1234 HydrophobicContact CD1-CG 4.44Å; I1184-M1234 HydrophobicContact CD1-SD 3.99Å; I1184-M1234 HydrophobicContact CG2-CG 4.21Å; V1230-M1234 VanDerWaalsContact O-CB 3.27Å; V1230-M1234 WeakPolarHBondContact O-CB 3.19Å; V1230-M1234 WeakPolarHBondContact O-CG 3.27Å; V1230-M1234 PolarHBondContact O-N 3.46Å; S1232-M1234 PolarHBondContact O-N 3.27Å; S1232-M1234 VanDerWaalsContact O-N 3.09Å; M1234-F1236 VanDerWaalsContact C-N 3.34Å; M1234-F1236 PolarHBondContact O-N 2.83Å; M1234-V1237 HydrophobicContact CE-CB 3.95Å; M1234-V1237 HydrophobicContact CE-CG1 3.94Å; M1234-V1237 HydrophobicContact CE-CG2 3.87Å; M1234-V1237 PolarHBondContact O-N 3.38Å; M1234-V1237 HydrophobicContact SD-CG2 4.06Å; M1234-L1278 HydrophobicContact CB-CB 4.15Å; M1234-L1278 HydrophobicContact CB-CD2 3.55Å; M1234-L1278 HydrophobicContact CB-CG 4.5Å; M1234-L1278 HydrophobicContact CG-CD2 4.23Å |
| 1235 | A | 73.7 | Confident | 70.9 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -44.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1231 L1279 L1327 L1340 | L1231-A1235 WeakPolarHBondContact O-CA 3.35Å; L1231-A1235 WeakPolarHBondContact O-CB 3.41Å; L1231-A1235 PolarHBondContact O-N 2.9Å; A1235-L1279 HydrophobicContact CB-CB 4.46Å; A1235-L1279 HydrophobicContact CB-CD2 4.04Å; A1235-L1327 HydrophobicContact CB-CD1 3.96Å; A1235-L1340 VanDerWaalsContact O-CD2 3.22Å; A1235-L1340 WeakPolarHBondContact O-CD2 3.46Å |
| 1236 | F | 71.8 | Confident | 69.8 | Low | 20 Ų | 20 | 25.2 Ų | 25.2 | 9% | 0.088 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 6.5 | -175.7 | -54.1 | -56 | 0 | 0 | 0 | 114 | F1059 M1234 V1238 L1327 F1328 N1331 P1333 C1337 | F1059-F1236 HydrophobicContact CB-CD2 4.24Å; F1059-F1236 HydrophobicContact CD1-CB 4.19Å; F1059-F1236 AromaticContact CD1-CD2 3.74Å; F1059-F1236 HydrophobicContact CD1-CD2 3.74Å; F1059-F1236 HydrophobicContact CD1-CG 4.45Å; F1059-F1236 HydrophobicContact CD2-CD2 4.15Å; F1059-F1236 HydrophobicContact CD2-CE2 4.5Å; F1059-F1236 HydrophobicContact CE1-CB 4.15Å; F1059-F1236 HydrophobicContact CE1-CD2 4.07Å; F1059-F1236 HydrophobicContact CE2-CD2 4.45Å; F1059-F1236 AromaticContact CG-CD2 3.78Å; F1059-F1236 HydrophobicContact CG-CD2 3.78Å; F1059-F1236 HydrophobicContact CG-CE2 4.37Å; F1059-F1236 HydrophobicContact CZ-CD2 4.41Å; M1234-F1236 VanDerWaalsContact C-N 3.34Å; M1234-F1236 PolarHBondContact O-N 2.83Å; F1236-V1238 PolarHBondContact O-N 2.83Å; F1236-V1238 VanDerWaalsContact O-N 3.07Å; F1236-L1327 HydrophobicContact CE2-CB 3.9Å; F1236-L1327 HydrophobicContact CZ-CB 3.68Å; F1236-F1328 HydrophobicContact CD1-CE1 4.45Å; F1236-F1328 HydrophobicContact CD1-CZ 4.39Å; F1236-F1328 AromaticContact CE1-CD1 3.95Å; F1236-F1328 HydrophobicContact CE1-CD1 3.95Å; F1236-F1328 HydrophobicContact CE1-CD2 4.07Å; F1236-F1328 AromaticContact CE1-CE1 3.83Å; F1236-F1328 HydrophobicContact CE1-CE1 3.83Å; F1236-F1328 AromaticContact CE1-CE2 3.95Å; F1236-F1328 HydrophobicContact CE1-CE2 3.95Å; F1236-F1328 HydrophobicContact CE1-CG 4.06Å; F1236-F1328 AromaticContact CE1-CZ 3.82Å; F1236-F1328 HydrophobicContact CE1-CZ 3.82Å; F1236-F1328 HydrophobicContact CZ-CD1 4.48Å; F1236-F1328 HydrophobicContact CZ-CG 4.35Å; F1236-N1331 HydrophobicContact CE2-CB 4.15Å; F1236-P1333 HydrophobicContact CD1-CB 3.84Å; F1236-P1333 HydrophobicContact CD1-CG 3.89Å; F1236-P1333 HydrophobicContact CD2-CB 4.43Å; F1236-P1333 HydrophobicContact CE1-CB 4.1Å; F1236-P1333 HydrophobicContact CE1-CG 3.64Å; F1236-P1333 HydrophobicContact CG-CB 4.03Å; F1236-P1333 HydrophobicContact CG-CG 4.47Å; F1236-P1333 HydrophobicContact CZ-CB 4.47Å; F1236-P1333 HydrophobicContact CZ-CG 3.98Å; F1236-C1337 HydrophobicContact CD1-CB 4.5Å |
| 1237 | V | 70.7 | Confident | 68 | Low | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | trans | -74.6 | 99.6 | 169.1 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | W1125 M1234 E1241 G1277 | W1125-V1237 HydrophobicContact CH2-CG1 3.94Å; W1125-V1237 HydrophobicContact CH2-CG2 4.02Å; W1125-V1237 HydrophobicContact CZ2-CG1 3.73Å; M1234-V1237 HydrophobicContact CE-CB 3.95Å; M1234-V1237 HydrophobicContact CE-CG1 3.94Å; M1234-V1237 HydrophobicContact CE-CG2 3.87Å; M1234-V1237 PolarHBondContact O-N 3.38Å; M1234-V1237 HydrophobicContact SD-CG2 4.06Å; V1237-E1241 HydrophobicContact CG1-CB 3.82Å; V1237-G1277 WeakPolarHBondContact O-CA 3.37Å | ||
| 1238 | V | 63.2 | Low | 65.9 | Low | 20 Ų | 20 | 35.7 Ų | 35.7 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | trans | -133.8 | 159.4 | -173.5 | -178.8 | 0 | 0 | 0 | 0 | 108 | F1236 R1274 L1340 | F1236-V1238 PolarHBondContact O-N 2.83Å; F1236-V1238 VanDerWaalsContact O-N 3.07Å; V1238-R1274 WeakPolarHBondContact CG1-O 3.48Å; V1238-L1340 HydrophobicContact CG2-CD2 4.13Å | ||
| 1239 | G | 64.1 | Low | 63.8 | Low | 24 Ų | 24 | 38.4 Ų | 38.4 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 90.5 | -153.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1241 A1242 R1274 | G1239-E1241 PolarHBondContact O-N 2.98Å; G1239-A1242 PolarHBondContact O-N 3.21Å; G1239-A1242 VanDerWaalsContact O-N 3.13Å; G1239-R1274 WeakPolarHBondContact CA-O 3.31Å; G1239-R1274 PolarHBondContact N-O 2.91Å |
| 1240 | E | 59 | Low | 61.8 | Low | 99 Ų | 99 | 45.3 Ų | 45.3 | 46% | 0.463 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -58.1 | -31.7 | -179.9 | -67.5 | 177.9 | -155.7 | 0 | 0 | 113 | R1132 A1242 M1243 | R1132-E1240 IonicContact CZ-OE2 3.83Å; R1132-E1240 IonicContact NH1-OE2 3Å; R1132-E1240 IonicContact NH2-OE2 2.74Å; R1132-E1240 PolarHBondContact NH2-OE2 3.13Å; E1240-A1242 PolarHBondContact O-N 3.4Å; E1240-A1242 VanDerWaalsContact O-N 3.11Å; E1240-M1243 HydrophobicContact CB-CE 4.47Å; E1240-M1243 HydrophobicContact CG-CE 4.3Å; E1240-M1243 PolarHBondContact O-N 3.49Å; E1240-M1243 VanDerWaalsContact O-N 3.1Å |
| 1241 | E | 65.7 | Low | 59.7 | Low | 40 Ų | 40 | 50.7 Ų | 50.7 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -64.4 | -15.6 | -179.7 | -61.2 | -168.8 | 141.5 | 0 | 0 | 113.5 | W1125 R1129 F1177 V1237 G1239 | W1125-E1241 HydrophobicContact CZ2-CB 4.41Å; R1129-E1241 IonicContact CZ-OE1 2.79Å; R1129-E1241 IonicContact CZ-OE2 3.44Å; R1129-E1241 IonicContact NE-OE1 3.44Å; R1129-E1241 PolarHBondContact NE-OE1 3.31Å; R1129-E1241 IonicContact NE-OE2 3.65Å; R1129-E1241 VanDerWaalsContact NH2-CD 3.28Å; R1129-E1241 IonicContact NH2-OE1 2.71Å; R1129-E1241 PolarHBondContact NH2-OE1 3.35Å; R1129-E1241 IonicContact NH2-OE2 3.59Å; R1129-E1241 PolarHBondContact NH2-OE2 2.9Å; F1177-E1241 HydrophobicContact CE1-CB 4.48Å; F1177-E1241 WeakPolarHBondContact CE1-O 3.23Å; F1177-E1241 HydrophobicContact CZ-CB 3.96Å; F1177-E1241 HydrophobicContact CZ-CG 4.38Å; F1177-E1241 VanDerWaalsContact CZ-O 3.25Å; F1177-E1241 WeakPolarHBondContact CZ-O 3.26Å; V1237-E1241 HydrophobicContact CG1-CB 3.82Å; G1239-E1241 PolarHBondContact O-N 2.98Å |
| 1242 | A | 63.8 | Low | 57.5 | Low | 7 Ų | 7 | 54.3 Ų | 54.3 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -100.7 | 0.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1185 G1239 E1240 | R1185-A1242 PolarHBondContact NH1-O 2.95Å; R1185-A1242 PolarHBondContact NH2-O 2.97Å; G1239-A1242 PolarHBondContact O-N 3.21Å; G1239-A1242 VanDerWaalsContact O-N 3.13Å; E1240-A1242 PolarHBondContact O-N 3.4Å; E1240-A1242 VanDerWaalsContact O-N 3.11Å |
| 1243 | M | 57.6 | Low | 55.6 | Low | 35 Ų | 35 | 62.3 Ų | 62.3 | 17% | 0.172 | 34% | 0.34 | C | S | . | . | trans | -81.1 | 153.5 | -176.2 | -61.5 | -156 | -52.6 | 0 | 0 | 112.7 | E1240 V1270 R1274 | E1240-M1243 HydrophobicContact CB-CE 4.47Å; E1240-M1243 HydrophobicContact CG-CE 4.3Å; E1240-M1243 PolarHBondContact O-N 3.49Å; E1240-M1243 VanDerWaalsContact O-N 3.1Å; M1243-V1270 HydrophobicContact SD-CG1 3.74Å; M1243-R1274 HydrophobicContact CG-CB 4.21Å; M1243-R1274 HydrophobicContact CG-CG 4.22Å; M1243-R1274 HydrophobicContact SD-CB 4.07Å; M1243-R1274 HydrophobicContact SD-CG 3.93Å | ||
| 1244 | I | 55.3 | Low | 53.6 | Low | 47 Ų | 47 | 68.2 Ų | 68.2 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | trans | -135 | 129.7 | 171.2 | -64 | 171.6 | 0 | 0 | 0 | 107 | S1178 A1181 H1182 R1185 | S1178-I1244 WeakPolarHBondContact OG-CA 3.38Å; A1181-I1244 HydrophobicContact CB-CG1 3.99Å; H1182-I1244 VanDerWaalsContact CA-CD1 3.49Å; H1182-I1244 HydrophobicContact CB-CD1 3.88Å; H1182-I1244 HydrophobicContact CB-CG1 4.45Å; H1182-I1244 HydrophobicContact CB-CG2 4.29Å; R1185-I1244 HydrophobicContact CG-CD1 4.25Å | ||
| 1245 | G | 51.1 | Low | 51.5 | Low | 46 Ų | 46 | 72.7 Ų | 72.7 | 47% | 0.474 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 98.9 | 161.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112 | S1178 | S1178-G1245 PolarHBondContact OG-N 2.85Š|
| 1246 | F | 48.4 | Very low | 49.9 | Very low | 128 Ų | 128 | 77.3 Ų | 77.3 | 56% | 0.561 | 44% | 0.44 | S | S | * | . | trans | -73.1 | 169.8 | -168.8 | -88.3 | -82.5 | 0 | 0 | 0 | 115.1 | E1171 F1175 | E1171-F1246 HydrophobicContact CB-CE1 4.37Å; F1175-F1246 HydrophobicContact CB-CZ 3.91Å; F1175-F1246 AromaticContact CD2-CE2 3.7Å; F1175-F1246 HydrophobicContact CD2-CE2 3.7Å; F1175-F1246 AromaticContact CD2-CZ 3.88Å; F1175-F1246 HydrophobicContact CD2-CZ 3.88Å; F1175-F1246 HydrophobicContact CE2-CE2 4.44Å; F1175-F1246 HydrophobicContact CG-CZ 4.3Å | ||
| 1247 | H | 41.7 | Very low | 48.5 | Very low | 101 Ų | 101 | 87.4 Ų | 87.4 | 47% | 0.468 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -38.6 | 151.2 | 176.5 | -84.1 | -74.7 | 0 | 0 | 0 | 116.3 | E1249 | H1247-E1249 PolarHBondContact O-N 3.32Š|
| 1248 | D | 37.8 | Very low | 47.3 | Very low | 119 Ų | 119 | 92.6 Ų | 92.6 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | trans | 8.9 | 81.9 | 146.7 | -55.8 | -67.1 | 0 | 0 | 0 | 115.9 | Q1250 | D1248-Q1250 PolarHBondContact O-N 3.16Š| ||
| 1249 | E | 36.3 | Very low | 46.1 | Very low | 95 Ų | 95 | 102.1 Ų | 102.1 | 44% | 0.444 | 55% | 0.548 | S | S | . | . | trans | -65.4 | 73 | 145.6 | -63.7 | -159.2 | 128 | 0 | 0 | 108 | H1247 R1263 | H1247-E1249 PolarHBondContact O-N 3.32Å; E1249-R1263 IonicContact OE1-CZ 3.05Å; E1249-R1263 IonicContact OE1-NE 3.5Å; E1249-R1263 PolarHBondContact OE1-NE 3.41Å; E1249-R1263 IonicContact OE1-NH2 2.74Å; E1249-R1263 PolarHBondContact OE1-NH2 3.28Å; E1249-R1263 VanDerWaalsContact OE2-CG 3.25Å; E1249-R1263 WeakPolarHBondContact OE2-CG 3.5Å; E1249-R1263 IonicContact OE2-CZ 2.74Å; E1249-R1263 IonicContact OE2-NE 2.66Å; E1249-R1263 PolarHBondContact OE2-NE 2.95Å; E1249-R1263 IonicContact OE2-NH2 3.34Å | ||
| 1250 | Q | 38 | Very low | 45.8 | Very low | 153 Ų | 153 | 104.4 Ų | 104.4 | 72% | 0.715 | 56% | 0.555 | S | S | * | * | trans | -47.3 | 140.2 | 164.4 | -90.3 | -165.3 | -5 | 0 | 0 | 107.9 | D1248 S1252 | D1248-Q1250 PolarHBondContact O-N 3.16Å; Q1250-S1252 PolarHBondContact O-N 3.11Å | ||
| 1251 | P | 38 | Very low | 45.5 | Very low | 115 Ų | 115 | 107.4 Ų | 107.4 | 75% | 0.747 | 57% | 0.569 | S | S | * | * | trans | -71.5 | 75.7 | 178.1 | 30.6 | -35.2 | 0 | 0 | 0 | 110.1 | N1253 | P1251-N1253 PolarHBondContact O-N 3.09Å; P1251-N1253 VanDerWaalsContact O-N 3.15Å | ||
| 1252 | S | 36.5 | Very low | 44.9 | Very low | 78 Ų | 78 | 112.2 Ų | 112.2 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | trans | -59.6 | 117.6 | 170.2 | 45.8 | 0 | 0 | 0 | 0 | 108.2 | Q1250 V1254 | Q1250-S1252 PolarHBondContact O-N 3.11Å; S1252-V1254 PolarHBondContact O-N 3.36Å | ||
| 1253 | N | 37.6 | Very low | 44.3 | Very low | 169 Ų | 169 | 117.2 Ų | 117.2 | 90% | 0.904 | 61% | 0.608 | S | S | * | * | trans | -74.3 | 49.3 | -167.6 | -93.1 | -30 | 0 | 0 | 0 | 113.3 | P1251 | P1251-N1253 PolarHBondContact O-N 3.09Å; P1251-N1253 VanDerWaalsContact O-N 3.15Å | ||
| 1254 | V | 34.3 | Very low | 44.4 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 75% | 0.745 | 62% | 0.616 | S | S | * | * | trans | -109.9 | 97 | -171.5 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | S1252 | S1252-V1254 PolarHBondContact O-N 3.36Š| ||
| 1255 | S | 36.2 | Very low | 44.6 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 72% | 0.72 | 64% | 0.64 | S | S | * | * | trans | 57.7 | 101.7 | 164.7 | -162.3 | 0 | 0 | 0 | 0 | 117.5 | R1257 | S1255-R1257 VanDerWaalsContact C-N 3.33Å; S1255-R1257 PolarHBondContact O-N 3.03Å; S1255-R1257 VanDerWaalsContact O-N 3.14Å | ||
| 1256 | S | 41.8 | Very low | 45 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 65% | 0.647 | S | S | * | * | trans | -76.6 | 5.2 | -167.9 | 53.5 | 0 | 0 | 0 | 0 | 117.4 | N1260 | S1256-N1260 PolarHBondContact O-ND2 2.82Š| ||
| 1257 | R | 41.2 | Very low | 45.7 | Very low | 231 Ų | 231 | 131.2 Ų | 131.2 | 87% | 0.872 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -104.6 | 0.7 | -153.1 | -96.7 | -174.9 | 173.7 | -172.7 | -1.9 | 120.6 | S1255 | S1255-R1257 VanDerWaalsContact C-N 3.33Å; S1255-R1257 PolarHBondContact O-N 3.03Å; S1255-R1257 VanDerWaalsContact O-N 3.14Å |
| 1258 | S | 45.6 | Very low | 46.8 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -154.3 | -29.4 | 173.7 | 67.2 | 0 | 0 | 0 | 0 | 119.6 | ||
| 1259 | R | 37.6 | Very low | 48.2 | Very low | 219 Ų | 219 | 132.8 Ų | 132.8 | 83% | 0.826 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -91.8 | 0.9 | -170.3 | -76.5 | -178.3 | 167.5 | 168.6 | -4.1 | 116.1 | ||
| 1260 | N | 57.8 | Low | 49.6 | Very low | 72 Ų | 72 | 131 Ų | 131 | 39% | 0.385 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -73.8 | -46.9 | -159.2 | -69.3 | -8.2 | 0 | 0 | 0 | 115.5 | S1256 Q1262 R1263 T1264 | S1256-N1260 PolarHBondContact O-ND2 2.82Å; N1260-Q1262 VanDerWaalsContact C-N 3.35Å; N1260-Q1262 PolarHBondContact O-N 3.44Å; N1260-Q1262 VanDerWaalsContact O-N 3.11Å; N1260-R1263 CarbonylContact O-C 3.45Å; N1260-R1263 PolarHBondContact O-N 3.29Å; N1260-T1264 WeakPolarHBondContact O-CB 3.42Å; N1260-T1264 PolarHBondContact O-N 3.13Å; N1260-T1264 PolarHBondContact O-OG1 3.12Å |
| 1261 | H | 53.4 | Low | 51.1 | Low | 163 Ų | 163 | 125.4 Ų | 125.4 | 76% | 0.755 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -56.1 | -39.6 | -165.1 | -67.9 | -43 | 0 | 0 | 0 | 115.6 | R1265 | H1261-R1265 WeakPolarHBondContact O-CB 3.15Å; H1261-R1265 VanDerWaalsContact O-CG 3.3Å; H1261-R1265 WeakPolarHBondContact O-CG 3.47Å; H1261-R1265 PolarHBondContact O-N 2.79Å |
| 1262 | Q | 53.4 | Low | 52.6 | Low | 140 Ų | 140 | 126.2 Ų | 126.2 | 65% | 0.654 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.1 | -35.8 | 179 | -160.4 | 174.7 | 14.5 | 0 | 0 | 112 | N1260 R1265 R1266 | N1260-Q1262 VanDerWaalsContact C-N 3.35Å; N1260-Q1262 PolarHBondContact O-N 3.44Å; N1260-Q1262 VanDerWaalsContact O-N 3.11Å; Q1262-R1265 PolarHBondContact O-N 3.34Å; Q1262-R1266 WeakPolarHBondContact O-CG 3.24Å; Q1262-R1266 PolarHBondContact O-N 2.86Å |
| 1263 | R | 51.8 | Low | 54.2 | Low | 113 Ų | 113 | 123.5 Ų | 123.5 | 43% | 0.426 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.6 | -47.1 | 173 | -155.5 | -179.7 | -161.9 | -169.6 | 6.1 | 110.8 | E1249 N1260 R1265 R1266 Y1267 | E1249-R1263 IonicContact OE1-CZ 3.05Å; E1249-R1263 IonicContact OE1-NE 3.5Å; E1249-R1263 PolarHBondContact OE1-NE 3.41Å; E1249-R1263 IonicContact OE1-NH2 2.74Å; E1249-R1263 PolarHBondContact OE1-NH2 3.28Å; E1249-R1263 VanDerWaalsContact OE2-CG 3.25Å; E1249-R1263 WeakPolarHBondContact OE2-CG 3.5Å; E1249-R1263 IonicContact OE2-CZ 2.74Å; E1249-R1263 IonicContact OE2-NE 2.66Å; E1249-R1263 PolarHBondContact OE2-NE 2.95Å; E1249-R1263 IonicContact OE2-NH2 3.34Å; N1260-R1263 CarbonylContact O-C 3.45Å; N1260-R1263 PolarHBondContact O-N 3.29Å; R1263-R1265 VanDerWaalsContact C-N 3.34Å; R1263-R1265 PolarHBondContact O-N 2.91Å; R1263-R1266 PolarHBondContact O-N 3.36Å; R1263-R1266 VanDerWaalsContact O-N 3.16Å; R1263-Y1267 WeakPolarHBondContact O-CB 3.48Å; R1263-Y1267 PolarHBondContact O-N 3.33Å |
| 1264 | T | 59.1 | Low | 55.6 | Low | 56 Ų | 56 | 120.3 Ų | 120.3 | 34% | 0.344 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61 | -37.4 | 173.3 | -50.7 | 0 | 0 | 0 | 0 | 112.4 | N1260 R1268 | N1260-T1264 WeakPolarHBondContact O-CB 3.42Å; N1260-T1264 PolarHBondContact O-N 3.13Å; N1260-T1264 PolarHBondContact O-OG1 3.12Å; T1264-R1268 HydrophobicContact CG2-CG 4.41Å; T1264-R1268 VanDerWaalsContact O-CB 3.29Å; T1264-R1268 WeakPolarHBondContact O-CB 3.39Å; T1264-R1268 VanDerWaalsContact O-CG 3.26Å; T1264-R1268 WeakPolarHBondContact O-CG 3.32Å; T1264-R1268 PolarHBondContact O-N 3.5Å |
| 1265 | R | 59.7 | Low | 57.4 | Low | 197 Ų | 197 | 118 Ų | 118 | 74% | 0.743 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.4 | -43.5 | 172.6 | -81.7 | -179.5 | 179.5 | -167.8 | 1.5 | 112 | H1261 Q1262 R1263 Q1269 | H1261-R1265 WeakPolarHBondContact O-CB 3.15Å; H1261-R1265 VanDerWaalsContact O-CG 3.3Å; H1261-R1265 WeakPolarHBondContact O-CG 3.47Å; H1261-R1265 PolarHBondContact O-N 2.79Å; Q1262-R1265 PolarHBondContact O-N 3.34Å; R1263-R1265 VanDerWaalsContact C-N 3.34Å; R1263-R1265 PolarHBondContact O-N 2.91Å; R1265-Q1269 WeakPolarHBondContact O-CB 3.39Å; R1265-Q1269 PolarHBondContact O-N 2.95Å; R1265-Q1269 VanDerWaalsContact O-N 3.09Å |
| 1266 | R | 59 | Low | 59.4 | Low | 165 Ų | 165 | 113.9 Ų | 113.9 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -49.7 | 173.8 | -74 | -179.3 | -178.6 | -168.5 | 1.2 | 111.1 | Q1262 R1263 R1268 Q1269 V1270 | Q1262-R1266 WeakPolarHBondContact O-CG 3.24Å; Q1262-R1266 PolarHBondContact O-N 2.86Å; R1263-R1266 PolarHBondContact O-N 3.36Å; R1263-R1266 VanDerWaalsContact O-N 3.16Å; R1266-R1268 PolarHBondContact O-N 2.95Å; R1266-Q1269 CarbonylContact O-C 3.55Å; R1266-Q1269 WeakPolarHBondContact O-CA 3.47Å; R1266-Q1269 WeakPolarHBondContact O-CB 3.22Å; R1266-Q1269 PolarHBondContact O-N 3.44Å; R1266-V1270 WeakPolarHBondContact O-CG2 3.39Å; R1266-V1270 PolarHBondContact O-N 2.89Å |
| 1267 | Y | 62.4 | Low | 61.3 | Low | 131 Ų | 131 | 109.1 Ų | 109.1 | 51% | 0.514 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.3 | -49.4 | 176.7 | -175.8 | -92.5 | 0 | 0 | 0 | 112.2 | R1263 Q1269 V1270 E1271 | R1263-Y1267 WeakPolarHBondContact O-CB 3.48Å; R1263-Y1267 PolarHBondContact O-N 3.33Å; Y1267-Q1269 PolarHBondContact O-N 3.04Å; Y1267-Q1269 VanDerWaalsContact O-N 3.1Å; Y1267-V1270 PolarHBondContact O-N 3.4Å; Y1267-E1271 WeakPolarHBondContact O-CB 3.49Å; Y1267-E1271 PolarHBondContact O-N 2.82Å |
| 1268 | R | 65.3 | Low | 63.3 | Low | 167 Ų | 167 | 98.5 Ų | 98.5 | 63% | 0.63 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.5 | -11.1 | 173.3 | -72 | 179.6 | -177.4 | -172.1 | 1.7 | 114.1 | T1264 R1266 R1272 | T1264-R1268 HydrophobicContact CG2-CG 4.41Å; T1264-R1268 VanDerWaalsContact O-CB 3.29Å; T1264-R1268 WeakPolarHBondContact O-CB 3.39Å; T1264-R1268 VanDerWaalsContact O-CG 3.26Å; T1264-R1268 WeakPolarHBondContact O-CG 3.32Å; T1264-R1268 PolarHBondContact O-N 3.5Å; R1266-R1268 PolarHBondContact O-N 2.95Å; R1268-R1272 PolarHBondContact O-NE 2.87Å; R1268-R1272 PolarHBondContact O-NH2 2.75Å |
| 1269 | Q | 67.2 | Low | 65.2 | Low | 87 Ų | 87 | 93.3 Ų | 93.3 | 41% | 0.407 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -93.4 | -46.6 | 171.8 | -176.9 | 178.5 | -10.1 | 0 | 0 | 110.6 | R1265 R1266 Y1267 E1271 R1272 H1273 | R1265-Q1269 WeakPolarHBondContact O-CB 3.39Å; R1265-Q1269 PolarHBondContact O-N 2.95Å; R1265-Q1269 VanDerWaalsContact O-N 3.09Å; R1266-Q1269 CarbonylContact O-C 3.55Å; R1266-Q1269 WeakPolarHBondContact O-CA 3.47Å; R1266-Q1269 WeakPolarHBondContact O-CB 3.22Å; R1266-Q1269 PolarHBondContact O-N 3.44Å; Y1267-Q1269 PolarHBondContact O-N 3.04Å; Y1267-Q1269 VanDerWaalsContact O-N 3.1Å; Q1269-E1271 VanDerWaalsContact C-N 3.33Å; Q1269-E1271 PolarHBondContact O-N 3.16Å; Q1269-R1272 PolarHBondContact O-N 3.28Å; Q1269-H1273 PolarHBondContact NE2-NE2 3.12Å; Q1269-H1273 PolarHBondContact O-CD2 2.92Å; Q1269-H1273 PolarHBondContact O-N 2.96Å |
| 1270 | V | 65.9 | Low | 67.3 | Low | 56 Ų | 56 | 82.9 Ų | 82.9 | 34% | 0.339 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.6 | -46.6 | 173.4 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | M1243 R1266 Y1267 R1272 H1273 R1274 | M1243-V1270 HydrophobicContact SD-CG1 3.74Å; R1266-V1270 WeakPolarHBondContact O-CG2 3.39Å; R1266-V1270 PolarHBondContact O-N 2.89Å; Y1267-V1270 PolarHBondContact O-N 3.4Å; V1270-R1272 VanDerWaalsContact C-N 3.32Å; V1270-R1272 PolarHBondContact O-N 3.03Å; V1270-H1273 CarbonylContact O-C 3.49Å; V1270-H1273 WeakPolarHBondContact O-CA 3.44Å; V1270-H1273 WeakPolarHBondContact O-CB 3.41Å; V1270-H1273 PolarHBondContact O-N 3.31Å; V1270-H1273 VanDerWaalsContact O-N 3.09Å; V1270-R1274 WeakPolarHBondContact O-CB 3.31Å; V1270-R1274 PolarHBondContact O-N 3.04Å |
| 1271 | E | 69.2 | Low | 68.6 | Low | 36 Ų | 36 | 80.5 Ų | 80.5 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.3 | -33.9 | 178.8 | -173.5 | 58.3 | -164.6 | 0 | 0 | 112.4 | Y1267 Q1269 R1274 Q1275 | Y1267-E1271 WeakPolarHBondContact O-CB 3.49Å; Y1267-E1271 PolarHBondContact O-N 2.82Å; Q1269-E1271 VanDerWaalsContact C-N 3.33Å; Q1269-E1271 PolarHBondContact O-N 3.16Å; E1271-R1274 WeakPolarHBondContact O-CB 3.39Å; E1271-R1274 PolarHBondContact O-N 3.17Å; E1271-R1274 IonicContact OE1-CZ 2.65Å; E1271-R1274 IonicContact OE1-NE 2.75Å; E1271-R1274 PolarHBondContact OE1-NE 2.92Å; E1271-R1274 IonicContact OE1-NH2 3.48Å; E1271-R1274 PolarHBondContact OE1-NH2 3.47Å; E1271-R1274 IonicContact OE2-CZ 3.94Å; E1271-R1274 VanDerWaalsContact OE2-CZ 3.3Å; E1271-R1274 IonicContact OE2-NE 3.53Å; E1271-R1274 PolarHBondContact OE2-NE 2.96Å; E1271-R1274 IonicContact OE2-NH2 3.91Å; E1271-R1274 PolarHBondContact OE2-NH2 3.18Å; E1271-R1274 VanDerWaalsContact OE2-NH2 3.13Å; E1271-Q1275 HydrophobicContact CG-CG 4.46Å; E1271-Q1275 WeakPolarHBondContact O-CB 3.27Å; E1271-Q1275 VanDerWaalsContact O-CG 3.28Å; E1271-Q1275 WeakPolarHBondContact O-CG 3.3Å; E1271-Q1275 PolarHBondContact O-N 3.47Å; E1271-Q1275 PolarHBondContact OE1-NE2 3.33Å |
| 1272 | R | 69.1 | Low | 70.2 | Confident | 132 Ų | 132 | 72.8 Ų | 72.8 | 50% | 0.498 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.8 | -34.9 | 171.4 | -82.9 | -175.3 | -70.9 | 162.3 | 0.5 | 112.7 | R1268 Q1269 V1270 R1274 H1276 | R1268-R1272 PolarHBondContact O-NE 2.87Å; R1268-R1272 PolarHBondContact O-NH2 2.75Å; Q1269-R1272 PolarHBondContact O-N 3.28Å; V1270-R1272 VanDerWaalsContact C-N 3.32Å; V1270-R1272 PolarHBondContact O-N 3.03Å; R1272-R1274 VanDerWaalsContact C-N 3.32Å; R1272-H1276 WeakPolarHBondContact O-CB 3.36Å; R1272-H1276 PolarHBondContact O-CD2 2.86Å; R1272-H1276 VanDerWaalsContact O-CG 3.28Å; R1272-H1276 PolarHBondContact O-N 2.95Å |
| 1273 | H | 70.4 | Confident | 71.7 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 10% | 0.102 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 168.8 | -68.5 | -68.6 | 0 | 0 | 0 | 111 | R1185 Q1269 V1270 G1277 W1281 | R1185-H1273 PolarHBondContact NH2-ND1 3.47Å; Q1269-H1273 PolarHBondContact NE2-NE2 3.12Å; Q1269-H1273 PolarHBondContact O-CD2 2.92Å; Q1269-H1273 PolarHBondContact O-N 2.96Å; V1270-H1273 CarbonylContact O-C 3.49Å; V1270-H1273 WeakPolarHBondContact O-CA 3.44Å; V1270-H1273 WeakPolarHBondContact O-CB 3.41Å; V1270-H1273 PolarHBondContact O-N 3.31Å; V1270-H1273 VanDerWaalsContact O-N 3.09Å; H1273-G1277 PolarHBondContact O-N 3.37Å; H1273-W1281 AromaticContact CE1-CD1 3.16Å; H1273-W1281 AromaticContact CE1-CG 3.73Å; H1273-W1281 AromaticContact CE1-NE1 3.55Å; H1273-W1281 AromaticContact ND1-CD1 3.58Å; H1273-W1281 AromaticContact ND1-CG 3.76Å |
| 1274 | R | 66.9 | Low | 73.1 | Confident | 102 Ų | 102 | 62.5 Ų | 62.5 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 178 | -159.6 | 176.2 | 72.8 | 124.4 | 3.4 | 112.5 | V1238 G1239 M1243 V1270 E1271 R1272 | V1238-R1274 WeakPolarHBondContact CG1-O 3.48Å; G1239-R1274 WeakPolarHBondContact CA-O 3.31Å; G1239-R1274 PolarHBondContact N-O 2.91Å; M1243-R1274 HydrophobicContact CG-CB 4.21Å; M1243-R1274 HydrophobicContact CG-CG 4.22Å; M1243-R1274 HydrophobicContact SD-CB 4.07Å; M1243-R1274 HydrophobicContact SD-CG 3.93Å; V1270-R1274 WeakPolarHBondContact O-CB 3.31Å; V1270-R1274 PolarHBondContact O-N 3.04Å; E1271-R1274 WeakPolarHBondContact O-CB 3.39Å; E1271-R1274 PolarHBondContact O-N 3.17Å; E1271-R1274 IonicContact OE1-CZ 2.65Å; E1271-R1274 IonicContact OE1-NE 2.75Å; E1271-R1274 PolarHBondContact OE1-NE 2.92Å; E1271-R1274 IonicContact OE1-NH2 3.48Å; E1271-R1274 PolarHBondContact OE1-NH2 3.47Å; E1271-R1274 IonicContact OE2-CZ 3.94Å; E1271-R1274 VanDerWaalsContact OE2-CZ 3.3Å; E1271-R1274 IonicContact OE2-NE 3.53Å; E1271-R1274 PolarHBondContact OE2-NE 2.96Å; E1271-R1274 IonicContact OE2-NH2 3.91Å; E1271-R1274 PolarHBondContact OE2-NH2 3.18Å; E1271-R1274 VanDerWaalsContact OE2-NH2 3.13Å; R1272-R1274 VanDerWaalsContact C-N 3.32Å |
| 1275 | Q | 72.5 | Confident | 73.9 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 35% | 0.346 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -88.5 | -15.7 | -178.9 | -68.5 | -179.6 | 12.6 | 0 | 0 | 115 | E1271 | E1271-Q1275 HydrophobicContact CG-CG 4.46Å; E1271-Q1275 WeakPolarHBondContact O-CB 3.27Å; E1271-Q1275 VanDerWaalsContact O-CG 3.28Å; E1271-Q1275 WeakPolarHBondContact O-CG 3.3Å; E1271-Q1275 PolarHBondContact O-N 3.47Å; E1271-Q1275 PolarHBondContact OE1-NE2 3.33Å |
| 1276 | H | 77.8 | Confident | 75 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -133 | 2.5 | -169.3 | -46.3 | -44.7 | 0 | 0 | 0 | 115.5 | R1272 G1280 L1340 L1343 | R1272-H1276 WeakPolarHBondContact O-CB 3.36Å; R1272-H1276 PolarHBondContact O-CD2 2.86Å; R1272-H1276 VanDerWaalsContact O-CG 3.28Å; R1272-H1276 PolarHBondContact O-N 2.95Å; H1276-G1280 WeakPolarHBondContact O-CA 3.3Å; H1276-G1280 PolarHBondContact O-N 3.25Å; H1276-L1340 HydrophobicContact CB-CD1 4.42Å; H1276-L1343 HydrophobicContact CB-CD2 3.8Å |
| 1277 | G | 82.2 | Confident | 76.3 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | -145.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R1185 V1237 H1273 | R1185-G1277 PolarHBondContact NH2-O 2.87Å; V1237-G1277 WeakPolarHBondContact O-CA 3.37Å; H1273-G1277 PolarHBondContact O-N 3.37Å |
| 1278 | L | 83.6 | Confident | 77.4 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -51.2 | 168.9 | -177.5 | 67.2 | 0 | 0 | 0 | 111.1 | I1184 R1185 C1188 V1230 M1234 W1281 L1282 | I1184-L1278 HydrophobicContact CG2-CD1 4.28Å; I1184-L1278 HydrophobicContact CG2-CD2 3.88Å; R1185-L1278 HydrophobicContact CG-CD1 3.63Å; C1188-L1278 HydrophobicContact CB-CD1 4.34Å; C1188-L1278 HydrophobicContact CB-CD2 4.43Å; V1230-L1278 HydrophobicContact CG1-CD2 3.91Å; M1234-L1278 HydrophobicContact CB-CB 4.15Å; M1234-L1278 HydrophobicContact CB-CD2 3.55Å; M1234-L1278 HydrophobicContact CB-CG 4.5Å; M1234-L1278 HydrophobicContact CG-CD2 4.23Å; L1278-W1281 HydrophobicContact CD1-CE3 3.88Å; L1278-W1281 HydrophobicContact CD1-CZ3 3.92Å; L1278-W1281 PolarHBondContact O-N 2.95Å; L1278-L1282 PolarHBondContact O-N 3.38Å |
| 1279 | L | 84.5 | Confident | 78.2 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -51.7 | -171.1 | 175.4 | 59.7 | 0 | 0 | 0 | 112.9 | L1231 A1235 W1281 L1282 L1283 I1320 L1344 | L1231-L1279 HydrophobicContact CD2-CD1 4.3Å; A1235-L1279 HydrophobicContact CB-CB 4.46Å; A1235-L1279 HydrophobicContact CB-CD2 4.04Å; L1279-W1281 VanDerWaalsContact C-N 3.34Å; L1279-W1281 PolarHBondContact O-N 3.17Å; L1279-L1282 PolarHBondContact O-N 3.08Å; L1279-L1283 HydrophobicContact CD1-CD1 4.08Å; L1279-L1283 HydrophobicContact CD1-CG 4.47Å; L1279-L1283 HydrophobicContact CG-CD1 4.36Å; L1279-L1283 PolarHBondContact O-N 3.03Å; L1279-I1320 HydrophobicContact CD1-CG2 3.56Å; L1279-L1344 HydrophobicContact CD2-CD1 3.84Å; L1279-L1344 HydrophobicContact CG-CD1 4.43Å |
| 1280 | G | 82.9 | Confident | 79 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.5 | -26.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H1276 T1284 | H1276-G1280 WeakPolarHBondContact O-CA 3.3Å; H1276-G1280 PolarHBondContact O-N 3.25Å; G1280-T1284 PolarHBondContact O-N 3.49Å; G1280-T1284 PolarHBondContact O-OG1 3.2Å |
| 1281 | W | 85.2 | Confident | 79.9 | Confident | 22 Ų | 22 | 33.4 Ų | 33.4 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 167.7 | 164 | 70.5 | 0 | 0 | 0 | 111.9 | R1185 L1189 H1273 L1278 L1279 G1285 R1286 | R1185-W1281 HydrophobicContact CB-CH2 3.58Å; R1185-W1281 HydrophobicContact CB-CZ2 4.29Å; R1185-W1281 HydrophobicContact CB-CZ3 3.75Å; R1185-W1281 HydrophobicContact CG-CD2 4.4Å; R1185-W1281 HydrophobicContact CG-CE3 3.85Å; R1185-W1281 HydrophobicContact CG-CH2 3.82Å; R1185-W1281 HydrophobicContact CG-CZ2 4.39Å; R1185-W1281 HydrophobicContact CG-CZ3 3.54Å; L1189-W1281 HydrophobicContact CD1-CH2 3.64Å; L1189-W1281 HydrophobicContact CD1-CZ2 4.05Å; L1189-W1281 HydrophobicContact CD2-CH2 4.43Å; L1189-W1281 HydrophobicContact CG-CH2 3.78Å; H1273-W1281 AromaticContact CE1-CD1 3.16Å; H1273-W1281 AromaticContact CE1-CG 3.73Å; H1273-W1281 AromaticContact CE1-NE1 3.55Å; H1273-W1281 AromaticContact ND1-CD1 3.58Å; H1273-W1281 AromaticContact ND1-CG 3.76Å; L1278-W1281 HydrophobicContact CD1-CE3 3.88Å; L1278-W1281 HydrophobicContact CD1-CZ3 3.92Å; L1278-W1281 PolarHBondContact O-N 2.95Å; L1279-W1281 VanDerWaalsContact C-N 3.34Å; L1279-W1281 PolarHBondContact O-N 3.17Å; W1281-G1285 CarbonylContact O-C 3.56Å; W1281-G1285 WeakPolarHBondContact O-CA 3.28Å; W1281-G1285 PolarHBondContact O-N 2.98Å; W1281-R1286 HydrophobicContact CH2-CG 4.36Å; W1281-R1286 HydrophobicContact CZ2-CG 3.83Å; W1281-R1286 PolarHBondContact O-N 2.86Å |
| 1282 | L | 86 | Confident | 80.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -49.5 | 179.8 | -173.5 | 69.4 | 0 | 0 | 0 | 110.5 | L1189 V1192 L1231 L1278 L1279 R1286 L1287 I1320 | L1189-L1282 HydrophobicContact CD2-CD1 4.26Å; V1192-L1282 HydrophobicContact CG2-CD1 4.28Å; V1192-L1282 HydrophobicContact CG2-CD2 4.24Å; L1231-L1282 HydrophobicContact CD2-CD2 4.07Å; L1278-L1282 PolarHBondContact O-N 3.38Å; L1279-L1282 PolarHBondContact O-N 3.08Å; L1282-R1286 WeakPolarHBondContact O-CB 3.43Å; L1282-R1286 PolarHBondContact O-N 3.05Å; L1282-L1287 HydrophobicContact CD1-CD1 4.49Å; L1282-L1287 HydrophobicContact CD1-CG 4.44Å; L1282-L1287 HydrophobicContact CD2-CD1 4.14Å; L1282-L1287 HydrophobicContact CG-CD1 3.78Å; L1282-L1287 HydrophobicContact CG-CG 4.15Å; L1282-L1287 WeakPolarHBondContact O-CG 3.43Å; L1282-L1287 PolarHBondContact O-N 3.33Å; L1282-I1320 HydrophobicContact CD2-CD1 4.08Å |
| 1283 | L | 85.3 | Confident | 80.9 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -61.7 | -62 | 177.5 | -70.7 | 171.3 | 0 | 0 | 0 | 112.1 | L1279 L1287 I1288 I1317 I1320 I1321 L1344 A1347 | L1279-L1283 HydrophobicContact CD1-CD1 4.08Å; L1279-L1283 HydrophobicContact CD1-CG 4.47Å; L1279-L1283 HydrophobicContact CG-CD1 4.36Å; L1279-L1283 PolarHBondContact O-N 3.03Å; L1283-L1287 HydrophobicContact CD2-CD1 4.39Å; L1283-L1287 PolarHBondContact O-N 3.38Å; L1283-I1288 HydrophobicContact CB-CD1 4.37Å; L1283-I1288 WeakPolarHBondContact O-CB 3.31Å; L1283-I1288 WeakPolarHBondContact O-CG1 3.49Å; L1283-I1288 PolarHBondContact O-N 2.88Å; L1283-I1317 HydrophobicContact CD2-CG2 4.03Å; L1283-I1320 HydrophobicContact CD1-CG2 4.49Å; L1283-I1320 HydrophobicContact CD2-CB 4.32Å; L1283-I1320 HydrophobicContact CD2-CG2 3.82Å; L1283-I1320 HydrophobicContact CG-CG2 4.14Å; L1283-I1321 HydrophobicContact CD1-CG1 4.06Å; L1283-I1321 HydrophobicContact CD2-CD1 4.29Å; L1283-I1321 HydrophobicContact CD2-CG1 3.73Å; L1283-L1344 HydrophobicContact CD1-CD1 4.31Å; L1283-A1347 HydrophobicContact CD1-CB 4.49Å |
| 1284 | T | 80 | Confident | 81.2 | Confident | 36 Ų | 36 | 33.1 Ų | 33.1 | 22% | 0.221 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -90.6 | -19.9 | -167.3 | 68.7 | 0 | 0 | 0 | 0 | 114.6 | G1280 P1289 L1343 | G1280-T1284 PolarHBondContact O-N 3.49Å; G1280-T1284 PolarHBondContact O-OG1 3.2Å; T1284-P1289 WeakPolarHBondContact O-CG 3.49Å; T1284-L1343 HydrophobicContact CG2-CD1 3.95Å; T1284-L1343 HydrophobicContact CG2-CD2 3.81Å; T1284-L1343 HydrophobicContact CG2-CG 3.83Å |
| 1285 | G | 76.9 | Confident | 81.6 | Confident | 38 Ų | 38 | 29.8 Ų | 29.8 | 39% | 0.392 | 15% | 0.152 | S | C | . | . | I | π-helix | trans | -99.5 | -12.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | W1281 | W1281-G1285 CarbonylContact O-C 3.56Å; W1281-G1285 WeakPolarHBondContact O-CA 3.28Å; W1281-G1285 PolarHBondContact O-N 2.98Å |
| 1286 | R | 82.6 | Confident | 81.7 | Confident | 113 Ų | 113 | 33.9 Ų | 33.9 | 43% | 0.426 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -136 | -66.7 | -177.9 | -65.5 | -70.2 | -170.9 | 146.4 | 2.4 | 112.8 | L1189 W1281 L1282 W1290 | L1189-R1286 HydrophobicContact CD2-CB 4.28Å; L1189-R1286 HydrophobicContact CD2-CG 4.01Å; W1281-R1286 HydrophobicContact CH2-CG 4.36Å; W1281-R1286 HydrophobicContact CZ2-CG 3.83Å; W1281-R1286 PolarHBondContact O-N 2.86Å; L1282-R1286 WeakPolarHBondContact O-CB 3.43Å; L1282-R1286 PolarHBondContact O-N 3.05Å; R1286-W1290 VanDerWaalsContact O-CB 3.27Å; R1286-W1290 WeakPolarHBondContact O-CB 3.43Å; R1286-W1290 PolarHBondContact O-N 2.95Å |
| 1287 | L | 87.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -68.5 | -55.1 | -167 | -67.6 | 175 | 0 | 0 | 0 | 114 | V1192 L1282 L1283 W1290 L1291 L1313 I1317 I1320 | V1192-L1287 HydrophobicContact CG1-CD2 3.68Å; L1282-L1287 HydrophobicContact CD1-CD1 4.49Å; L1282-L1287 HydrophobicContact CD1-CG 4.44Å; L1282-L1287 HydrophobicContact CD2-CD1 4.14Å; L1282-L1287 HydrophobicContact CG-CD1 3.78Å; L1282-L1287 HydrophobicContact CG-CG 4.15Å; L1282-L1287 WeakPolarHBondContact O-CG 3.43Å; L1282-L1287 PolarHBondContact O-N 3.33Å; L1283-L1287 HydrophobicContact CD2-CD1 4.39Å; L1283-L1287 PolarHBondContact O-N 3.38Å; L1287-W1290 HydrophobicContact CD2-CE3 4.33Å; L1287-W1290 WeakPolarHBondContact O-CB 3.31Å; L1287-W1290 PolarHBondContact O-N 3.38Å; L1287-W1290 VanDerWaalsContact O-N 3.08Å; L1287-L1291 PolarHBondContact O-N 2.83Å; L1287-L1313 HydrophobicContact CD2-CD1 3.84Å; L1287-I1317 HydrophobicContact CB-CD1 3.87Å; L1287-I1317 HydrophobicContact CB-CG1 3.74Å; L1287-I1317 HydrophobicContact CD1-CG1 4.07Å; L1287-I1317 HydrophobicContact CG-CG1 4.35Å; L1287-I1320 HydrophobicContact CD1-CD1 3.66Å |
| 1288 | I | 84.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | -179 | -63.3 | 170.5 | 0 | 0 | 0 | 111.3 | L1283 W1290 T1292 I1317 A1347 Q1350 I1354 | L1283-I1288 HydrophobicContact CB-CD1 4.37Å; L1283-I1288 WeakPolarHBondContact O-CB 3.31Å; L1283-I1288 WeakPolarHBondContact O-CG1 3.49Å; L1283-I1288 PolarHBondContact O-N 2.88Å; I1288-W1290 VanDerWaalsContact C-N 3.31Å; I1288-W1290 PolarHBondContact O-N 3.49Å; I1288-T1292 VanDerWaalsContact O-CB 3.31Å; I1288-T1292 WeakPolarHBondContact O-CB 3.28Å; I1288-T1292 PolarHBondContact O-N 3.07Å; I1288-T1292 PolarHBondContact O-OG1 2.97Å; I1288-I1317 HydrophobicContact CG1-CG2 4.14Å; I1288-A1347 HydrophobicContact CD1-CB 3.76Å; I1288-Q1350 HydrophobicContact CG2-CG 4.23Å; I1288-I1354 HydrophobicContact CG2-CD1 3.6Å |
| 1289 | P | 83.4 | Confident | 79.1 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 40% | 0.403 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.7 | -36.3 | 169.5 | -27.1 | 35.4 | 0 | 0 | 0 | 114.5 | T1284 K1293 | T1284-P1289 WeakPolarHBondContact O-CG 3.49Å; P1289-K1293 PolarHBondContact O-N 2.79Å |
| 1290 | W | 83.3 | Confident | 78 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 13% | 0.125 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.4 | -50 | 178.3 | -175.3 | 9.7 | 0 | 0 | 0 | 111.3 | V1192 D1193 L1196 R1200 M1211 R1286 L1287 I1288 T1292 K1293 C1294 L1309 L1313 | V1192-W1290 HydrophobicContact CG1-CZ3 4.23Å; D1193-W1290 WeakPolarHBondContact OD1-CH2 3.35Å; L1196-W1290 HydrophobicContact CD1-CE3 4.48Å; L1196-W1290 HydrophobicContact CD1-CH2 3.59Å; L1196-W1290 HydrophobicContact CD1-CZ3 3.53Å; R1200-W1290 VanDerWaalsContact NH2-CZ3 3.28Å; M1211-W1290 HydrophobicContact CE-CZ2 3.74Å; M1211-W1290 HydrophobicContact SD-CZ2 3.73Å; R1286-W1290 VanDerWaalsContact O-CB 3.27Å; R1286-W1290 WeakPolarHBondContact O-CB 3.43Å; R1286-W1290 PolarHBondContact O-N 2.95Å; L1287-W1290 HydrophobicContact CD2-CE3 4.33Å; L1287-W1290 WeakPolarHBondContact O-CB 3.31Å; L1287-W1290 PolarHBondContact O-N 3.38Å; L1287-W1290 VanDerWaalsContact O-N 3.08Å; I1288-W1290 VanDerWaalsContact C-N 3.31Å; I1288-W1290 PolarHBondContact O-N 3.49Å; W1290-T1292 VanDerWaalsContact C-N 3.26Å; W1290-T1292 PolarHBondContact O-N 3.25Å; W1290-K1293 WeakPolarHBondContact O-CA 3.45Å; W1290-K1293 WeakPolarHBondContact O-CB 3.27Å; W1290-K1293 PolarHBondContact O-N 3.11Å; W1290-C1294 PolarHBondContact O-N 3.17Å; W1290-C1294 PolarHBondContact O-SG 3.1Å; W1290-C1294 VanDerWaalsContact O-SG 3.39Å; W1290-L1309 HydrophobicContact CZ2-CD1 4.43Å; W1290-L1313 HydrophobicContact CB-CD2 4.44Å; W1290-L1313 HydrophobicContact CD2-CD2 4.11Å; W1290-L1313 HydrophobicContact CE3-CD1 4.07Å; W1290-L1313 HydrophobicContact CE3-CD2 4.42Å; W1290-L1313 HydrophobicContact CG-CD2 4.1Å; W1290-L1313 HydrophobicContact CZ3-CD1 4.4Å |
| 1291 | L | 83.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.1 | -43.3 | 173.4 | -178.3 | 65.6 | 0 | 0 | 0 | 111.2 | L1287 K1293 C1294 L1295 I1310 L1313 I1317 L1351 I1354 | L1287-L1291 PolarHBondContact O-N 2.83Å; L1291-K1293 VanDerWaalsContact C-N 3.28Å; L1291-K1293 PolarHBondContact O-N 3.11Å; L1291-C1294 PolarHBondContact O-N 3.28Å; L1291-L1295 HydrophobicContact CD1-CD1 4.02Å; L1291-L1295 HydrophobicContact CD1-CG 4.35Å; L1291-L1295 HydrophobicContact CG-CD1 3.91Å; L1291-L1295 WeakPolarHBondContact O-CB 3.41Å; L1291-L1295 WeakPolarHBondContact O-CG 3.46Å; L1291-L1295 PolarHBondContact O-N 2.86Å; L1291-I1310 HydrophobicContact CD1-CG2 4Å; L1291-L1313 HydrophobicContact CB-CD2 3.84Å; L1291-L1313 HydrophobicContact CB-CG 4.27Å; L1291-L1313 HydrophobicContact CD1-CD2 4.13Å; L1291-L1313 HydrophobicContact CD1-CG 4.33Å; L1291-I1317 HydrophobicContact CB-CD1 4.06Å; L1291-I1317 HydrophobicContact CD2-CD1 4.01Å; L1291-L1351 HydrophobicContact CD2-CD1 3.4Å; L1291-I1354 HydrophobicContact CD2-CG2 4.33Å |
| 1292 | T | 80.9 | Confident | 75.8 | Confident | 32 Ų | 32 | 60 Ų | 60 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.1 | -28 | 175.7 | -54.6 | 0 | 0 | 0 | 0 | 113.1 | I1288 W1290 K1296 I1354 | I1288-T1292 VanDerWaalsContact O-CB 3.31Å; I1288-T1292 WeakPolarHBondContact O-CB 3.28Å; I1288-T1292 PolarHBondContact O-N 3.07Å; I1288-T1292 PolarHBondContact O-OG1 2.97Å; W1290-T1292 VanDerWaalsContact C-N 3.26Å; W1290-T1292 PolarHBondContact O-N 3.25Å; T1292-K1296 HydrophobicContact CG2-CD 4.35Å; T1292-K1296 VanDerWaalsContact O-CD 3.31Å; T1292-K1296 WeakPolarHBondContact O-CD 3.3Å; T1292-K1296 VanDerWaalsContact O-CG 3.23Å; T1292-K1296 WeakPolarHBondContact O-CG 3.46Å; T1292-I1354 WeakPolarHBondContact OG1-CD1 3.32Å |
| 1293 | K | 79.8 | Confident | 75 | Confident | 143 Ų | 143 | 62.7 Ų | 62.7 | 62% | 0.622 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -76.4 | -46.8 | 173.9 | -171 | -174.4 | 178.4 | -171.9 | 0 | 110.6 | P1289 W1290 L1291 K1296 M1297 | P1289-K1293 PolarHBondContact O-N 2.79Å; W1290-K1293 WeakPolarHBondContact O-CA 3.45Å; W1290-K1293 WeakPolarHBondContact O-CB 3.27Å; W1290-K1293 PolarHBondContact O-N 3.11Å; L1291-K1293 VanDerWaalsContact C-N 3.28Å; L1291-K1293 PolarHBondContact O-N 3.11Å; K1293-K1296 PolarHBondContact O-N 3.49Å; K1293-K1296 VanDerWaalsContact O-N 3.1Å; K1293-M1297 PolarHBondContact O-N 2.97Å |
| 1294 | C | 77 | Confident | 74.3 | Confident | 9 Ų | 9 | 67.2 Ų | 67.2 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.7 | -50.2 | 179.3 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | W1290 L1291 K1296 M1297 L1300 I1310 | W1290-C1294 PolarHBondContact O-N 3.17Å; W1290-C1294 PolarHBondContact O-SG 3.1Å; W1290-C1294 VanDerWaalsContact O-SG 3.39Å; L1291-C1294 PolarHBondContact O-N 3.28Å; C1294-K1296 PolarHBondContact O-N 3.39Å; C1294-M1297 PolarHBondContact O-N 2.67Å; C1294-M1297 VanDerWaalsContact O-N 3.11Å; C1294-L1300 VanDerWaalsContact O-CD1 3.25Å; C1294-L1300 WeakPolarHBondContact O-CD1 3.47Å; C1294-I1310 HydrophobicContact CB-CD1 3.81Å; C1294-I1310 HydrophobicContact CB-CG1 3.68Å |
| 1295 | L | 75 | Confident | 73.8 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -0.6 | 176.5 | -69.7 | 169 | 0 | 0 | 0 | 115.2 | L1291 I1310 I1354 | L1291-L1295 HydrophobicContact CD1-CD1 4.02Å; L1291-L1295 HydrophobicContact CD1-CG 4.35Å; L1291-L1295 HydrophobicContact CG-CD1 3.91Å; L1291-L1295 WeakPolarHBondContact O-CB 3.41Å; L1291-L1295 WeakPolarHBondContact O-CG 3.46Å; L1291-L1295 PolarHBondContact O-N 2.86Å; L1295-I1310 HydrophobicContact CD2-CD1 4.17Å; L1295-I1310 HydrophobicContact CD2-CG2 3.98Å; L1295-I1310 HydrophobicContact CG-CD1 4.48Å; L1295-I1310 HydrophobicContact CG-CG2 4.45Å; L1295-I1354 HydrophobicContact CD1-CG2 3.41Å; L1295-I1354 VanDerWaalsContact CD1-CG2 3.41Å |
| 1296 | K | 73.8 | Confident | 73.6 | Confident | 161 Ų | 161 | 69.5 Ų | 69.5 | 70% | 0.7 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | -2 | 175.9 | -74.7 | 179.6 | -175.8 | 179.9 | 0 | 114 | T1292 K1293 C1294 | T1292-K1296 HydrophobicContact CG2-CD 4.35Å; T1292-K1296 VanDerWaalsContact O-CD 3.31Å; T1292-K1296 WeakPolarHBondContact O-CD 3.3Å; T1292-K1296 VanDerWaalsContact O-CG 3.23Å; T1292-K1296 WeakPolarHBondContact O-CG 3.46Å; K1293-K1296 PolarHBondContact O-N 3.49Å; K1293-K1296 VanDerWaalsContact O-N 3.1Å; C1294-K1296 PolarHBondContact O-N 3.39Å |
| 1297 | M | 69.9 | Low | 73.1 | Confident | 92 Ų | 92 | 65 Ų | 65 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | trans | -66.3 | 143.6 | 171 | -69.2 | 174.6 | 148.1 | 0 | 0 | 109.8 | K1293 C1294 L1300 I1306 | K1293-M1297 PolarHBondContact O-N 2.97Å; C1294-M1297 PolarHBondContact O-N 2.67Å; C1294-M1297 VanDerWaalsContact O-N 3.11Å; M1297-L1300 HydrophobicContact CB-CD1 3.92Å; M1297-I1306 HydrophobicContact SD-CD1 4.21Å | ||
| 1298 | K | 58.4 | Low | 72.5 | Confident | 185 Ų | 185 | 67.1 Ų | 67.1 | 80% | 0.804 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -72.9 | -43.8 | -175.1 | -70.5 | 178.1 | 179.7 | 172.9 | 0 | 111.9 | L1300 | K1298-L1300 VanDerWaalsContact C-N 3.3Å; K1298-L1300 PolarHBondContact O-N 3.44Å |
| 1299 | D | 61.2 | Low | 72.2 | Confident | 117 Ų | 117 | 67.3 Ų | 67.3 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | trans | -100.1 | 48.3 | -164.2 | -43 | -64.3 | 0 | 0 | 0 | 110.2 | S1302 | D1299-S1302 PolarHBondContact O-OG 3.17Å; D1299-S1302 VanDerWaalsContact O-OG 3.08Å | ||
| 1300 | L | 61 | Low | 71.9 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | trans | -78.7 | -34.1 | -171.6 | -146.5 | 81.3 | 0 | 0 | 0 | 112.9 | C1294 M1297 K1298 S1302 N1303 I1306 L1307 I1310 I1363 | C1294-L1300 VanDerWaalsContact O-CD1 3.25Å; C1294-L1300 WeakPolarHBondContact O-CD1 3.47Å; M1297-L1300 HydrophobicContact CB-CD1 3.92Å; K1298-L1300 VanDerWaalsContact C-N 3.3Å; K1298-L1300 PolarHBondContact O-N 3.44Å; L1300-S1302 PolarHBondContact O-N 2.82Å; L1300-N1303 PolarHBondContact O-N 3.34Å; L1300-I1306 HydrophobicContact CD1-CG2 3.58Å; L1300-I1306 HydrophobicContact CG-CG2 4.39Å; L1300-L1307 HydrophobicContact CD2-CD2 3.99Å; L1300-L1307 HydrophobicContact CG-CD2 3.99Å; L1300-I1310 HydrophobicContact CD1-CD1 3.98Å; L1300-I1310 HydrophobicContact CD2-CD1 3.73Å; L1300-I1310 HydrophobicContact CG-CD1 4.23Å; L1300-I1363 HydrophobicContact CD2-CD1 3.65Å; L1300-I1363 HydrophobicContact CD2-CG1 4.35Å; L1300-I1363 HydrophobicContact CD2-CG2 4.07Å | ||
| 1301 | S | 60.2 | Low | 71.5 | Confident | 104 Ų | 104 | 64.3 Ų | 64.3 | 73% | 0.727 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -12.3 | -178.7 | 49.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1302 | S | 62 | Low | 71.3 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -2.9 | 178.2 | 49.7 | 0 | 0 | 0 | 0 | 114 | D1299 L1300 | D1299-S1302 PolarHBondContact O-OG 3.17Å; D1299-S1302 VanDerWaalsContact O-OG 3.08Å; L1300-S1302 PolarHBondContact O-N 2.82Å |
| 1303 | N | 69.7 | Low | 71.4 | Confident | 57 Ų | 57 | 64 Ų | 64 | 31% | 0.305 | 34% | 0.336 | S | S | . | . | trans | -125.7 | 89.7 | -173.4 | -167.5 | -46 | 0 | 0 | 0 | 112.4 | L1300 D1305 I1306 L1307 | L1300-N1303 PolarHBondContact O-N 3.34Å; N1303-D1305 PolarHBondContact O-N 2.93Å; N1303-D1305 PolarHBondContact OD1-N 3.1Å; N1303-I1306 HydrophobicContact CB-CB 4.25Å; N1303-I1306 HydrophobicContact CB-CD1 4.08Å; N1303-I1306 HydrophobicContact CB-CG1 4.31Å; N1303-I1306 PolarHBondContact O-N 3Å; N1303-I1306 WeakPolarHBondContact OD1-CG1 3.21Å; N1303-I1306 PolarHBondContact OD1-N 2.82Å; N1303-L1307 WeakPolarHBondContact O-CG 3.49Å; N1303-L1307 PolarHBondContact O-N 3.37Å | ||
| 1304 | N | 70.5 | Confident | 71.5 | Confident | 97 Ų | 97 | 57.2 Ų | 57.2 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.8 | -32.5 | 179.6 | -69.4 | -13.3 | 0 | 0 | 0 | 113.4 | L1307 S1308 | N1304-L1307 PolarHBondContact O-N 3.17Å; N1304-S1308 VanDerWaalsContact O-CB 3.29Å; N1304-S1308 WeakPolarHBondContact O-CB 3.23Å; N1304-S1308 PolarHBondContact O-N 2.79Å |
| 1305 | D | 68.9 | Low | 71.7 | Confident | 91 Ų | 91 | 57.3 Ų | 57.3 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69 | -38.5 | 179.3 | -59.2 | -49.7 | 0 | 0 | 0 | 111.5 | I1213 N1303 S1308 L1309 | I1213-D1305 HydrophobicContact CB-CB 4.46Å; I1213-D1305 HydrophobicContact CD1-CB 3.96Å; I1213-D1305 HydrophobicContact CG2-CB 4.33Å; N1303-D1305 PolarHBondContact O-N 2.93Å; N1303-D1305 PolarHBondContact OD1-N 3.1Å; D1305-S1308 PolarHBondContact O-N 3.3Å; D1305-L1309 WeakPolarHBondContact O-CB 3.49Å; D1305-L1309 PolarHBondContact O-N 2.9Å |
| 1306 | I | 72.6 | Confident | 72.2 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 16% | 0.164 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.7 | -37.7 | 173.2 | -65.3 | 174 | 0 | 0 | 0 | 111 | I1213 M1297 L1300 N1303 L1309 I1310 | I1213-I1306 HydrophobicContact CD1-CG1 4.36Å; M1297-I1306 HydrophobicContact SD-CD1 4.21Å; L1300-I1306 HydrophobicContact CD1-CG2 3.58Å; L1300-I1306 HydrophobicContact CG-CG2 4.39Å; N1303-I1306 HydrophobicContact CB-CB 4.25Å; N1303-I1306 HydrophobicContact CB-CD1 4.08Å; N1303-I1306 HydrophobicContact CB-CG1 4.31Å; N1303-I1306 PolarHBondContact O-N 3Å; N1303-I1306 WeakPolarHBondContact OD1-CG1 3.21Å; N1303-I1306 PolarHBondContact OD1-N 2.82Å; I1306-L1309 PolarHBondContact O-N 3.34Å; I1306-I1310 HydrophobicContact CG2-CD1 3.89Å; I1306-I1310 HydrophobicContact CG2-CG1 4.43Å; I1306-I1310 WeakPolarHBondContact O-CB 3.48Å; I1306-I1310 VanDerWaalsContact O-CG1 3.25Å; I1306-I1310 WeakPolarHBondContact O-CG1 3.38Å; I1306-I1310 PolarHBondContact O-N 2.9Å |
| 1307 | L | 72.4 | Confident | 72.8 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 9% | 0.089 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 173.9 | -62.6 | 173.3 | 0 | 0 | 0 | 111.1 | L1300 N1303 N1304 I1310 S1311 I1363 L1368 | L1300-L1307 HydrophobicContact CD2-CD2 3.99Å; L1300-L1307 HydrophobicContact CG-CD2 3.99Å; N1303-L1307 WeakPolarHBondContact O-CG 3.49Å; N1303-L1307 PolarHBondContact O-N 3.37Å; N1304-L1307 PolarHBondContact O-N 3.17Å; L1307-I1310 PolarHBondContact O-N 2.87Å; L1307-S1311 PolarHBondContact O-N 3.45Å; L1307-I1363 HydrophobicContact CD2-CG2 3.91Å; L1307-L1368 HydrophobicContact CB-CD1 4.46Å; L1307-L1368 HydrophobicContact CD2-CD1 3.65Å |
| 1308 | S | 73.4 | Confident | 73.3 | Confident | 47 Ų | 47 | 43.8 Ų | 43.8 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 172.6 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | N1304 D1305 I1310 S1311 R1312 | N1304-S1308 VanDerWaalsContact O-CB 3.29Å; N1304-S1308 WeakPolarHBondContact O-CB 3.23Å; N1304-S1308 PolarHBondContact O-N 2.79Å; D1305-S1308 PolarHBondContact O-N 3.3Å; S1308-I1310 PolarHBondContact O-N 2.98Å; S1308-S1311 WeakPolarHBondContact O-CB 3.28Å; S1308-S1311 PolarHBondContact O-N 2.83Å; S1308-R1312 VanDerWaalsContact O-CG 3.3Å; S1308-R1312 WeakPolarHBondContact O-CG 3.27Å; S1308-R1312 PolarHBondContact O-N 3.39Å; S1308-R1312 PolarHBondContact O-NE 3.39Å; S1308-R1312 PolarHBondContact OG-NE 3.19Å; S1308-R1312 VanDerWaalsContact OG-NE 3.15Å; S1308-R1312 PolarHBondContact OG-NH2 3.48Å |
| 1309 | L | 78 | Confident | 74.4 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.3 | -45.6 | 174.1 | 170.6 | 73.9 | 0 | 0 | 0 | 111.8 | V1198 M1211 I1213 W1290 D1305 I1306 S1311 R1312 L1313 | V1198-L1309 HydrophobicContact CG2-CD1 3.76Å; M1211-L1309 HydrophobicContact CE-CD1 3.56Å; M1211-L1309 HydrophobicContact CE-CD2 3.33Å; M1211-L1309 HydrophobicContact CE-CG 4.04Å; M1211-L1309 HydrophobicContact SD-CD2 4.48Å; I1213-L1309 HydrophobicContact CD1-CB 4.13Å; I1213-L1309 HydrophobicContact CD1-CD2 4.18Å; W1290-L1309 HydrophobicContact CZ2-CD1 4.43Å; D1305-L1309 WeakPolarHBondContact O-CB 3.49Å; D1305-L1309 PolarHBondContact O-N 2.9Å; I1306-L1309 PolarHBondContact O-N 3.34Å; L1309-S1311 VanDerWaalsContact C-N 3.3Å; L1309-S1311 PolarHBondContact O-N 3.09Å; L1309-R1312 PolarHBondContact O-N 2.87Å; L1309-L1313 WeakPolarHBondContact O-CB 3.38Å; L1309-L1313 PolarHBondContact O-N 2.93Å |
| 1310 | I | 78.2 | Confident | 75.6 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 179.7 | -73.8 | 167.6 | 0 | 0 | 0 | 110.7 | L1291 C1294 L1295 L1300 I1306 L1307 S1308 S1314 L1368 | L1291-I1310 HydrophobicContact CD1-CG2 4Å; C1294-I1310 HydrophobicContact CB-CD1 3.81Å; C1294-I1310 HydrophobicContact CB-CG1 3.68Å; L1295-I1310 HydrophobicContact CD2-CD1 4.17Å; L1295-I1310 HydrophobicContact CD2-CG2 3.98Å; L1295-I1310 HydrophobicContact CG-CD1 4.48Å; L1295-I1310 HydrophobicContact CG-CG2 4.45Å; L1300-I1310 HydrophobicContact CD1-CD1 3.98Å; L1300-I1310 HydrophobicContact CD2-CD1 3.73Å; L1300-I1310 HydrophobicContact CG-CD1 4.23Å; I1306-I1310 HydrophobicContact CG2-CD1 3.89Å; I1306-I1310 HydrophobicContact CG2-CG1 4.43Å; I1306-I1310 WeakPolarHBondContact O-CB 3.48Å; I1306-I1310 VanDerWaalsContact O-CG1 3.25Å; I1306-I1310 WeakPolarHBondContact O-CG1 3.38Å; I1306-I1310 PolarHBondContact O-N 2.9Å; L1307-I1310 PolarHBondContact O-N 2.87Å; S1308-I1310 PolarHBondContact O-N 2.98Å; I1310-S1314 VanDerWaalsContact O-CB 3.29Å; I1310-S1314 WeakPolarHBondContact O-CB 3.39Å; I1310-S1314 PolarHBondContact O-N 2.99Å; I1310-S1314 PolarHBondContact O-OG 3.02Å; I1310-L1368 HydrophobicContact CB-CD2 4.38Å; I1310-L1368 HydrophobicContact CG2-CD1 4.05Å; I1310-L1368 HydrophobicContact CG2-CD2 3.87Å |
| 1311 | S | 75.1 | Confident | 76.7 | Confident | 29 Ų | 29 | 29.2 Ų | 29.2 | 20% | 0.203 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59 | -59.8 | 172.2 | 169.5 | 0 | 0 | 0 | 0 | 111 | L1307 S1308 L1309 L1313 S1314 C1315 T1371 | L1307-S1311 PolarHBondContact O-N 3.45Å; S1308-S1311 WeakPolarHBondContact O-CB 3.28Å; S1308-S1311 PolarHBondContact O-N 2.83Å; L1309-S1311 VanDerWaalsContact C-N 3.3Å; L1309-S1311 PolarHBondContact O-N 3.09Å; S1311-L1313 VanDerWaalsContact C-N 3.31Å; S1311-L1313 PolarHBondContact O-N 2.84Å; S1311-S1314 PolarHBondContact O-N 2.78Å; S1311-S1314 VanDerWaalsContact O-N 3.07Å; S1311-C1315 PolarHBondContact O-N 2.98Å; S1311-T1371 PolarHBondContact OG-OG1 3.02Å |
| 1312 | R | 78.5 | Confident | 77.7 | Confident | 25 Ų | 25 | 26 Ų | 26 | 9% | 0.094 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54 | -45.2 | 179.3 | -66.4 | -175.9 | -97.5 | -179.9 | -16.4 | 112.4 | L1196 L1214 S1308 L1309 C1315 L1316 Y1414 | L1196-R1312 HydrophobicContact CD2-CB 3.85Å; L1196-R1312 PolarHBondContact O-NH1 3.48Å; L1214-R1312 PolarHBondContact O-NH1 3.08Å; S1308-R1312 VanDerWaalsContact O-CG 3.3Å; S1308-R1312 WeakPolarHBondContact O-CG 3.27Å; S1308-R1312 PolarHBondContact O-N 3.39Å; S1308-R1312 PolarHBondContact O-NE 3.39Å; S1308-R1312 PolarHBondContact OG-NE 3.19Å; S1308-R1312 VanDerWaalsContact OG-NE 3.15Å; S1308-R1312 PolarHBondContact OG-NH2 3.48Å; L1309-R1312 PolarHBondContact O-N 2.87Å; R1312-C1315 PolarHBondContact O-N 2.92Å; R1312-L1316 WeakPolarHBondContact O-CB 3.3Å; R1312-L1316 PolarHBondContact O-N 2.73Å; R1312-Y1414 WeakPolarHBondContact CG-OH 3.5Å |
| 1313 | L | 83.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.6 | -37.9 | 179 | -178.4 | 60.3 | 0 | 0 | 0 | 112.4 | L1196 L1287 W1290 L1291 L1309 S1311 I1317 | L1196-L1313 HydrophobicContact CD1-CD1 3.88Å; L1196-L1313 HydrophobicContact CD2-CB 4.17Å; L1196-L1313 HydrophobicContact CD2-CD1 4.49Å; L1287-L1313 HydrophobicContact CD2-CD1 3.84Å; W1290-L1313 HydrophobicContact CB-CD2 4.44Å; W1290-L1313 HydrophobicContact CD2-CD2 4.11Å; W1290-L1313 HydrophobicContact CE3-CD1 4.07Å; W1290-L1313 HydrophobicContact CE3-CD2 4.42Å; W1290-L1313 HydrophobicContact CG-CD2 4.1Å; W1290-L1313 HydrophobicContact CZ3-CD1 4.4Å; L1291-L1313 HydrophobicContact CB-CD2 3.84Å; L1291-L1313 HydrophobicContact CB-CG 4.27Å; L1291-L1313 HydrophobicContact CD1-CD2 4.13Å; L1291-L1313 HydrophobicContact CD1-CG 4.33Å; L1309-L1313 WeakPolarHBondContact O-CB 3.38Å; L1309-L1313 PolarHBondContact O-N 2.93Å; S1311-L1313 VanDerWaalsContact C-N 3.31Å; S1311-L1313 PolarHBondContact O-N 2.84Å; L1313-I1317 HydrophobicContact CD1-CD1 3.86Å; L1313-I1317 HydrophobicContact CD1-CG1 4.15Å; L1313-I1317 HydrophobicContact CG-CD1 3.89Å; L1313-I1317 WeakPolarHBondContact O-CB 3.43Å; L1313-I1317 WeakPolarHBondContact O-CD1 3.37Å; L1313-I1317 WeakPolarHBondContact O-CG1 3.48Å; L1313-I1317 PolarHBondContact O-N 3.49Å |
| 1314 | S | 82.9 | Confident | 79 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.1 | -43 | 176.9 | -59 | 0 | 0 | 0 | 0 | 111.6 | I1310 S1311 T1318 | I1310-S1314 VanDerWaalsContact O-CB 3.29Å; I1310-S1314 WeakPolarHBondContact O-CB 3.39Å; I1310-S1314 PolarHBondContact O-N 2.99Å; I1310-S1314 PolarHBondContact O-OG 3.02Å; S1311-S1314 PolarHBondContact O-N 2.78Å; S1311-S1314 VanDerWaalsContact O-N 3.07Å; S1314-T1318 WeakPolarHBondContact O-CB 3.17Å; S1314-T1318 PolarHBondContact O-N 2.71Å; S1314-T1318 PolarHBondContact O-OG1 3.17Å |
| 1315 | C | 80.4 | Confident | 79.5 | Confident | 11 Ų | 11 | 16.3 Ų | 16.3 | 7% | 0.074 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.9 | -50 | 172.8 | -72 | 0 | 0 | 0 | 0 | 111.5 | S1311 R1312 I1317 T1318 D1319 T1371 Y1414 | S1311-C1315 PolarHBondContact O-N 2.98Å; R1312-C1315 PolarHBondContact O-N 2.92Å; C1315-I1317 PolarHBondContact O-N 2.67Å; C1315-T1318 CarbonylContact O-C 3.57Å; C1315-T1318 WeakPolarHBondContact O-CB 3.45Å; C1315-T1318 PolarHBondContact O-N 3.09Å; C1315-T1318 VanDerWaalsContact O-N 3.14Å; C1315-D1319 PolarHBondContact O-N 3.46Å; C1315-T1371 VanDerWaalsContact SG-CG2 3.59Å; C1315-Y1414 HydrophobicContact CB-CD2 3.91Å; C1315-Y1414 HydrophobicContact CB-CE2 3.81Å |
| 1316 | L | 84.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.7 | -37.6 | -178.6 | -175.2 | 62.5 | 0 | 0 | 0 | 112.9 | V1192 C1195 L1196 L1227 R1312 D1319 I1320 Y1414 | V1192-L1316 HydrophobicContact CG1-CD2 4.31Å; V1192-L1316 HydrophobicContact CG2-CD2 4.37Å; C1195-L1316 HydrophobicContact CB-CD1 4.41Å; C1195-L1316 HydrophobicContact CB-CD2 3.99Å; L1196-L1316 HydrophobicContact CD1-CD2 4.18Å; L1196-L1316 HydrophobicContact CD2-CB 4.17Å; L1196-L1316 HydrophobicContact CD2-CD2 3.75Å; L1196-L1316 HydrophobicContact CG-CD2 3.74Å; L1227-L1316 HydrophobicContact CD2-CD1 4.1Å; R1312-L1316 WeakPolarHBondContact O-CB 3.3Å; R1312-L1316 PolarHBondContact O-N 2.73Å; L1316-D1319 PolarHBondContact O-N 2.86Å; L1316-I1320 HydrophobicContact CD1-CD1 4.17Å; L1316-I1320 HydrophobicContact CD1-CG1 4.45Å; L1316-I1320 HydrophobicContact CG-CD1 3.97Å; L1316-I1320 WeakPolarHBondContact O-CD1 3.32Å; L1316-I1320 VanDerWaalsContact O-CG1 3.23Å; L1316-I1320 WeakPolarHBondContact O-CG1 3.33Å; L1316-I1320 PolarHBondContact O-N 3.17Å; L1316-Y1414 HydrophobicContact CB-CD2 4.45Å |
| 1317 | I | 86.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | 173.6 | -64.9 | 165.8 | 0 | 0 | 0 | 110.4 | L1283 L1287 I1288 L1291 L1313 C1315 D1319 I1320 I1321 L1351 | L1283-I1317 HydrophobicContact CD2-CG2 4.03Å; L1287-I1317 HydrophobicContact CB-CD1 3.87Å; L1287-I1317 HydrophobicContact CB-CG1 3.74Å; L1287-I1317 HydrophobicContact CD1-CG1 4.07Å; L1287-I1317 HydrophobicContact CG-CG1 4.35Å; I1288-I1317 HydrophobicContact CG1-CG2 4.14Å; L1291-I1317 HydrophobicContact CB-CD1 4.06Å; L1291-I1317 HydrophobicContact CD2-CD1 4.01Å; L1313-I1317 HydrophobicContact CD1-CD1 3.86Å; L1313-I1317 HydrophobicContact CD1-CG1 4.15Å; L1313-I1317 HydrophobicContact CG-CD1 3.89Å; L1313-I1317 WeakPolarHBondContact O-CB 3.43Å; L1313-I1317 WeakPolarHBondContact O-CD1 3.37Å; L1313-I1317 WeakPolarHBondContact O-CG1 3.48Å; L1313-I1317 PolarHBondContact O-N 3.49Å; C1315-I1317 PolarHBondContact O-N 2.67Å; I1317-D1319 VanDerWaalsContact C-N 3.3Å; I1317-D1319 PolarHBondContact O-N 3.25Å; I1317-I1320 PolarHBondContact O-N 2.78Å; I1317-I1321 HydrophobicContact CG2-CD1 3.73Å; I1317-I1321 HydrophobicContact CG2-CG1 4.34Å; I1317-I1321 WeakPolarHBondContact O-CB 3.34Å; I1317-I1321 VanDerWaalsContact O-CG1 3.29Å; I1317-I1321 WeakPolarHBondContact O-CG1 3.24Å; I1317-I1321 PolarHBondContact O-N 2.85Å; I1317-L1351 HydrophobicContact CB-CD2 4.25Å; I1317-L1351 HydrophobicContact CG2-CD2 3.79Å |
| 1318 | T | 82.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.7 | -44.6 | 176 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | S1314 C1315 I1321 I1322 L1351 R1378 L1379 | S1314-T1318 WeakPolarHBondContact O-CB 3.17Å; S1314-T1318 PolarHBondContact O-N 2.71Å; S1314-T1318 PolarHBondContact O-OG1 3.17Å; C1315-T1318 CarbonylContact O-C 3.57Å; C1315-T1318 WeakPolarHBondContact O-CB 3.45Å; C1315-T1318 PolarHBondContact O-N 3.09Å; C1315-T1318 VanDerWaalsContact O-N 3.14Å; T1318-I1321 PolarHBondContact O-N 2.83Å; T1318-I1322 HydrophobicContact CG2-CD1 3.57Å; T1318-I1322 HydrophobicContact CG2-CG1 4.45Å; T1318-I1322 WeakPolarHBondContact O-CB 3.19Å; T1318-I1322 WeakPolarHBondContact O-CD1 3.29Å; T1318-I1322 VanDerWaalsContact O-CG1 3.25Å; T1318-I1322 WeakPolarHBondContact O-CG1 3.5Å; T1318-I1322 PolarHBondContact O-N 3.37Å; T1318-L1351 WeakPolarHBondContact OG1-CD2 3.33Å; T1318-R1378 HydrophobicContact CG2-CB 4.04Å; T1318-L1379 HydrophobicContact CG2-CD1 4.27Å; T1318-L1379 HydrophobicContact CG2-CD2 4.13Å; T1318-L1379 HydrophobicContact CG2-CG 3.93Å |
| 1319 | D | 81.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 175.5 | -74.7 | -40.1 | 0 | 0 | 0 | 113.2 | C1315 L1316 I1317 I1321 I1322 Y1323 R1378 S1413 Y1414 L1415 | C1315-D1319 PolarHBondContact O-N 3.46Å; L1316-D1319 PolarHBondContact O-N 2.86Å; I1317-D1319 VanDerWaalsContact C-N 3.3Å; I1317-D1319 PolarHBondContact O-N 3.25Å; D1319-I1321 VanDerWaalsContact C-N 3.3Å; D1319-I1321 PolarHBondContact O-N 3.33Å; D1319-I1322 PolarHBondContact O-N 2.85Å; D1319-Y1323 WeakPolarHBondContact O-CB 3.12Å; D1319-Y1323 PolarHBondContact O-N 3.34Å; D1319-R1378 IonicContact OD1-CZ 2.73Å; D1319-R1378 IonicContact OD1-NH1 3.24Å; D1319-R1378 PolarHBondContact OD1-NH1 3.41Å; D1319-R1378 IonicContact OD1-NH2 3.64Å; D1319-R1378 PolarHBondContact OD1-NH2 3.18Å; D1319-S1413 VanDerWaalsContact OD1-CB 3.3Å; D1319-S1413 WeakPolarHBondContact OD1-CB 3.47Å; D1319-S1413 PolarHBondContact OD1-OG 2.93Å; D1319-S1413 WeakPolarHBondContact OD2-CA 3.47Å; D1319-S1413 PolarHBondContact OD2-OG 2.71Å; D1319-Y1414 PolarHBondContact OD2-N 3.09Å; D1319-L1415 HydrophobicContact CB-CB 4.19Å; D1319-L1415 HydrophobicContact CB-CD1 3.93Å; D1319-L1415 HydrophobicContact CB-CG 3.88Å |
| 1320 | I | 85.4 | Confident | 79 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.5 | -35.1 | 179.4 | -68 | 166.9 | 0 | 0 | 0 | 111 | L1231 L1279 L1282 L1283 L1287 L1316 I1317 G1324 L1415 | L1231-I1320 HydrophobicContact CD1-CD1 4.46Å; L1231-I1320 HydrophobicContact CD1-CG1 3.91Å; L1231-I1320 HydrophobicContact CD1-CG2 4.28Å; L1279-I1320 HydrophobicContact CD1-CG2 3.56Å; L1282-I1320 HydrophobicContact CD2-CD1 4.08Å; L1283-I1320 HydrophobicContact CD1-CG2 4.49Å; L1283-I1320 HydrophobicContact CD2-CB 4.32Å; L1283-I1320 HydrophobicContact CD2-CG2 3.82Å; L1283-I1320 HydrophobicContact CG-CG2 4.14Å; L1287-I1320 HydrophobicContact CD1-CD1 3.66Å; L1316-I1320 HydrophobicContact CD1-CD1 4.17Å; L1316-I1320 HydrophobicContact CD1-CG1 4.45Å; L1316-I1320 HydrophobicContact CG-CD1 3.97Å; L1316-I1320 WeakPolarHBondContact O-CD1 3.32Å; L1316-I1320 VanDerWaalsContact O-CG1 3.23Å; L1316-I1320 WeakPolarHBondContact O-CG1 3.33Å; L1316-I1320 PolarHBondContact O-N 3.17Å; I1317-I1320 PolarHBondContact O-N 2.78Å; I1320-G1324 PolarHBondContact O-N 3.41Å; I1320-L1415 HydrophobicContact CG1-CD1 4.25Å |
| 1321 | I | 84.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.7 | -50.8 | 173.9 | -71.7 | 172.6 | 0 | 0 | 0 | 110.3 | L1283 I1317 T1318 D1319 Y1323 G1324 S1325 L1344 A1347 L1351 L1379 F1382 | L1283-I1321 HydrophobicContact CD1-CG1 4.06Å; L1283-I1321 HydrophobicContact CD2-CD1 4.29Å; L1283-I1321 HydrophobicContact CD2-CG1 3.73Å; I1317-I1321 HydrophobicContact CG2-CD1 3.73Å; I1317-I1321 HydrophobicContact CG2-CG1 4.34Å; I1317-I1321 WeakPolarHBondContact O-CB 3.34Å; I1317-I1321 VanDerWaalsContact O-CG1 3.29Å; I1317-I1321 WeakPolarHBondContact O-CG1 3.24Å; I1317-I1321 PolarHBondContact O-N 2.85Å; T1318-I1321 PolarHBondContact O-N 2.83Å; D1319-I1321 VanDerWaalsContact C-N 3.3Å; D1319-I1321 PolarHBondContact O-N 3.33Å; I1321-Y1323 PolarHBondContact O-N 3.01Å; I1321-G1324 PolarHBondContact O-N 2.94Å; I1321-S1325 PolarHBondContact O-N 3.3Å; I1321-S1325 PolarHBondContact O-OG 3.23Å; I1321-L1344 HydrophobicContact CG2-CD2 4.19Å; I1321-A1347 HydrophobicContact CD1-CB 4.2Å; I1321-L1351 HydrophobicContact CD1-CD2 4.17Å; I1321-L1379 HydrophobicContact CG2-CD2 4.01Å; I1321-F1382 HydrophobicContact CG2-CE1 3.79Å; I1321-F1382 HydrophobicContact CG2-CE2 3.91Å; I1321-F1382 HydrophobicContact CG2-CZ 3.27Å |
| 1322 | I | 80.2 | Confident | 77.8 | Confident | 36 Ų | 36 | 27.3 Ų | 27.3 | 19% | 0.185 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 179.2 | -67.9 | 164.6 | 0 | 0 | 0 | 111.3 | T1318 D1319 S1325 H1326 R1378 L1379 W1416 | T1318-I1322 HydrophobicContact CG2-CD1 3.57Å; T1318-I1322 HydrophobicContact CG2-CG1 4.45Å; T1318-I1322 WeakPolarHBondContact O-CB 3.19Å; T1318-I1322 WeakPolarHBondContact O-CD1 3.29Å; T1318-I1322 VanDerWaalsContact O-CG1 3.25Å; T1318-I1322 WeakPolarHBondContact O-CG1 3.5Å; T1318-I1322 PolarHBondContact O-N 3.37Å; D1319-I1322 PolarHBondContact O-N 2.85Å; I1322-S1325 WeakPolarHBondContact O-CB 3.47Å; I1322-S1325 PolarHBondContact O-N 3.39Å; I1322-H1326 WeakPolarHBondContact O-CB 3.47Å; I1322-H1326 PolarHBondContact O-N 3.26Å; I1322-R1378 HydrophobicContact CD1-CB 3.74Å; I1322-R1378 WeakPolarHBondContact CD1-O 3.47Å; I1322-L1379 HydrophobicContact CG1-CD2 4.44Å; I1322-W1416 HydrophobicContact CG2-CH2 4.11Å; I1322-W1416 HydrophobicContact CG2-CZ3 4.07Å |
| 1323 | Y | 79 | Confident | 77.3 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 176.5 | -164 | -109.3 | 0 | 0 | 0 | 111.5 | H1056 R1228 L1231 S1232 D1319 I1321 H1326 L1327 L1415 W1416 | H1056-Y1323 AromaticContact CE1-CE1 3.75Å; H1056-Y1323 AromaticContact CE1-CE2 3.24Å; H1056-Y1323 WeakPolarHBondContact CE1-CE2 3.42Å; H1056-Y1323 AromaticContact CE1-CZ 2.84Å; H1056-Y1323 PolarHBondContact CE1-OH 3.03Å; H1056-Y1323 AromaticContact ND1-CE2 3.69Å; H1056-Y1323 AromaticContact ND1-CZ 3.59Å; H1056-Y1323 PolarHBondContact ND1-OH 3.28Å; H1056-Y1323 VanDerWaalsContact ND1-OH 3.08Å; H1056-Y1323 AromaticContact NE2-CD2 3.88Å; H1056-Y1323 AromaticContact NE2-CE2 3.32Å; H1056-Y1323 VanDerWaalsContact NE2-CE2 3.32Å; H1056-Y1323 WeakPolarHBondContact NE2-CE2 3.48Å; H1056-Y1323 AromaticContact NE2-CZ 3.94Å; R1228-Y1323 HydrophobicContact CG-CE1 4.03Å; R1228-Y1323 HydrophobicContact CG-CE2 4.05Å; R1228-Y1323 WeakPolarHBondContact CG-OH 3.47Å; L1231-Y1323 HydrophobicContact CB-CD1 4.47Å; S1232-Y1323 WeakPolarHBondContact OG-CE1 3.41Å; S1232-Y1323 PolarHBondContact OG-OH 3.48Å; D1319-Y1323 WeakPolarHBondContact O-CB 3.12Å; D1319-Y1323 PolarHBondContact O-N 3.34Å; I1321-Y1323 PolarHBondContact O-N 3.01Å; Y1323-H1326 PolarHBondContact O-N 3.3Å; Y1323-L1327 HydrophobicContact CD1-CD1 3.78Å; Y1323-L1327 HydrophobicContact CD1-CG 4.19Å; Y1323-L1327 HydrophobicContact CE1-CD1 3.6Å; Y1323-L1327 HydrophobicContact CE1-CD2 4.22Å; Y1323-L1327 HydrophobicContact CE1-CG 3.94Å; Y1323-L1327 WeakPolarHBondContact O-CB 3.49Å; Y1323-L1327 WeakPolarHBondContact O-CG 3.24Å; Y1323-L1327 PolarHBondContact O-N 2.84Å; Y1323-L1415 HydrophobicContact CG-CD1 4.19Å; Y1323-W1416 AromaticContact CD2-CH2 3.56Å; Y1323-W1416 HydrophobicContact CD2-CH2 3.56Å; Y1323-W1416 AromaticContact CD2-CZ2 3.92Å; Y1323-W1416 HydrophobicContact CD2-CZ2 3.92Å; Y1323-W1416 HydrophobicContact CD2-CZ3 4.03Å; Y1323-W1416 HydrophobicContact CE2-CH2 4.41Å; Y1323-W1416 HydrophobicContact CE2-CZ2 4.34Å; Y1323-W1416 HydrophobicContact CG-CH2 4.43Å |
| 1324 | G | 81 | Confident | 76.3 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1320 I1321 H1326 L1327 F1328 | I1320-G1324 PolarHBondContact O-N 3.41Å; I1321-G1324 PolarHBondContact O-N 2.94Å; G1324-H1326 VanDerWaalsContact C-N 3.34Å; G1324-H1326 PolarHBondContact O-N 2.64Å; G1324-L1327 PolarHBondContact O-N 3.19Å; G1324-F1328 VanDerWaalsContact O-CD2 3.28Å; G1324-F1328 WeakPolarHBondContact O-CD2 3.49Å; G1324-F1328 PolarHBondContact O-N 3.27Å |
| 1325 | S | 79.9 | Confident | 75.5 | Confident | 42 Ų | 42 | 38.6 Ų | 38.6 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.4 | -42.5 | 172.2 | -66 | 0 | 0 | 0 | 0 | 112.5 | I1321 I1322 F1328 K1329 L1344 F1382 | I1321-S1325 PolarHBondContact O-N 3.3Å; I1321-S1325 PolarHBondContact O-OG 3.23Å; I1322-S1325 WeakPolarHBondContact O-CB 3.47Å; I1322-S1325 PolarHBondContact O-N 3.39Å; S1325-F1328 WeakPolarHBondContact O-CB 3.35Å; S1325-F1328 PolarHBondContact O-N 3.42Å; S1325-K1329 PolarHBondContact O-N 3.36Å; S1325-L1344 WeakPolarHBondContact OG-CD2 3.42Å; S1325-F1382 WeakPolarHBondContact OG-CZ 3.27Å |
| 1326 | H | 74.6 | Confident | 74.8 | Confident | 71 Ų | 71 | 45 Ų | 45 | 33% | 0.329 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.2 | -44.5 | 178.5 | -166.6 | -56.9 | 0 | 0 | 0 | 111.3 | H1056 I1322 Y1323 G1324 F1328 K1329 T1330 | H1056-H1326 AromaticContact NE2-CD2 3.9Å; H1056-H1326 AromaticContact NE2-CE1 3.37Å; H1056-H1326 PolarHBondContact NE2-CE1 2.93Å; H1056-H1326 AromaticContact NE2-CG 3.16Å; H1056-H1326 AromaticContact NE2-ND1 2.78Å; H1056-H1326 PolarHBondContact NE2-ND1 3.32Å; I1322-H1326 WeakPolarHBondContact O-CB 3.47Å; I1322-H1326 PolarHBondContact O-N 3.26Å; Y1323-H1326 PolarHBondContact O-N 3.3Å; G1324-H1326 VanDerWaalsContact C-N 3.34Å; G1324-H1326 PolarHBondContact O-N 2.64Å; H1326-F1328 VanDerWaalsContact C-N 3.29Å; H1326-F1328 PolarHBondContact O-N 3.31Å; H1326-K1329 WeakPolarHBondContact O-CB 3.38Å; H1326-K1329 PolarHBondContact O-N 2.92Å; H1326-K1329 VanDerWaalsContact O-N 3.08Å; H1326-T1330 VanDerWaalsContact CE1-CG2 3.49Å; H1326-T1330 WeakPolarHBondContact CE1-CG2 3.45Å; H1326-T1330 PolarHBondContact O-N 2.88Å; H1326-T1330 PolarHBondContact O-OG1 2.99Å |
| 1327 | L | 72.6 | Confident | 74.3 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.8 | -39.4 | 173.2 | -72.3 | 174 | 0 | 0 | 0 | 111.4 | H1056 A1235 F1236 Y1323 G1324 K1329 T1330 N1331 | H1056-L1327 WeakPolarHBondContact CE1-CD2 3.47Å; H1056-L1327 WeakPolarHBondContact ND1-CD2 3.42Å; A1235-L1327 HydrophobicContact CB-CD1 3.96Å; F1236-L1327 HydrophobicContact CE2-CB 3.9Å; F1236-L1327 HydrophobicContact CZ-CB 3.68Å; Y1323-L1327 HydrophobicContact CD1-CD1 3.78Å; Y1323-L1327 HydrophobicContact CD1-CG 4.19Å; Y1323-L1327 HydrophobicContact CE1-CD1 3.6Å; Y1323-L1327 HydrophobicContact CE1-CD2 4.22Å; Y1323-L1327 HydrophobicContact CE1-CG 3.94Å; Y1323-L1327 WeakPolarHBondContact O-CB 3.49Å; Y1323-L1327 WeakPolarHBondContact O-CG 3.24Å; Y1323-L1327 PolarHBondContact O-N 2.84Å; G1324-L1327 PolarHBondContact O-N 3.19Å; L1327-K1329 VanDerWaalsContact C-N 3.31Å; L1327-K1329 PolarHBondContact O-N 3.46Å; L1327-T1330 PolarHBondContact O-OG1 3.27Å; L1327-N1331 VanDerWaalsContact O-CB 3.27Å; L1327-N1331 WeakPolarHBondContact O-CB 3.5Å; L1327-N1331 PolarHBondContact O-N 3.25Å; L1327-N1331 VanDerWaalsContact O-N 3.08Å; L1327-N1331 PolarHBondContact O-ND2 2.99Å |
| 1328 | F | 74.6 | Confident | 73.7 | Confident | 22 Ų | 22 | 50 Ų | 50 | 10% | 0.096 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 173.8 | -94.4 | -69 | 0 | 0 | 0 | 112.3 | F1236 G1324 S1325 H1326 P1333 C1337 L1340 K1341 | F1236-F1328 HydrophobicContact CD1-CE1 4.45Å; F1236-F1328 HydrophobicContact CD1-CZ 4.39Å; F1236-F1328 AromaticContact CE1-CD1 3.95Å; F1236-F1328 HydrophobicContact CE1-CD1 3.95Å; F1236-F1328 HydrophobicContact CE1-CD2 4.07Å; F1236-F1328 AromaticContact CE1-CE1 3.83Å; F1236-F1328 HydrophobicContact CE1-CE1 3.83Å; F1236-F1328 AromaticContact CE1-CE2 3.95Å; F1236-F1328 HydrophobicContact CE1-CE2 3.95Å; F1236-F1328 HydrophobicContact CE1-CG 4.06Å; F1236-F1328 AromaticContact CE1-CZ 3.82Å; F1236-F1328 HydrophobicContact CE1-CZ 3.82Å; F1236-F1328 HydrophobicContact CZ-CD1 4.48Å; F1236-F1328 HydrophobicContact CZ-CG 4.35Å; G1324-F1328 VanDerWaalsContact O-CD2 3.28Å; G1324-F1328 WeakPolarHBondContact O-CD2 3.49Å; G1324-F1328 PolarHBondContact O-N 3.27Å; S1325-F1328 WeakPolarHBondContact O-CB 3.35Å; S1325-F1328 PolarHBondContact O-N 3.42Å; H1326-F1328 VanDerWaalsContact C-N 3.29Å; H1326-F1328 PolarHBondContact O-N 3.31Å; F1328-P1333 HydrophobicContact CD1-CG 3.38Å; F1328-P1333 HydrophobicContact CE1-CG 3.49Å; F1328-P1333 VanDerWaalsContact CE1-CG 3.49Å; F1328-P1333 HydrophobicContact CG-CG 4.42Å; F1328-C1337 HydrophobicContact CE1-CB 3.94Å; F1328-C1337 HydrophobicContact CZ-CB 4.23Å; F1328-L1340 HydrophobicContact CE2-CD2 4.43Å; F1328-L1340 HydrophobicContact CE2-CG 4.06Å; F1328-L1340 HydrophobicContact CZ-CB 4.12Å; F1328-L1340 HydrophobicContact CZ-CD2 4.2Å; F1328-L1340 HydrophobicContact CZ-CG 3.91Å; F1328-K1341 HydrophobicContact CD1-CB 4.22Å; F1328-K1341 HydrophobicContact CD1-CD 4.4Å; F1328-K1341 HydrophobicContact CD1-CG 4.27Å; F1328-K1341 HydrophobicContact CE1-CB 3.68Å; F1328-K1341 HydrophobicContact CE1-CG 4.23Å; F1328-K1341 HydrophobicContact CE2-CB 4.23Å; F1328-K1341 HydrophobicContact CZ-CB 3.69Å; F1328-K1341 HydrophobicContact CZ-CG 4.45Å |
| 1329 | K | 69.7 | Low | 73.5 | Confident | 174 Ų | 174 | 52.5 Ų | 52.5 | 76% | 0.757 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -73.1 | -41.5 | 178.5 | -176.4 | -176 | 175.6 | -173.5 | 0 | 112.6 | S1325 H1326 L1327 | S1325-K1329 PolarHBondContact O-N 3.36Å; H1326-K1329 WeakPolarHBondContact O-CB 3.38Å; H1326-K1329 PolarHBondContact O-N 2.92Å; H1326-K1329 VanDerWaalsContact O-N 3.08Å; L1327-K1329 VanDerWaalsContact C-N 3.31Å; L1327-K1329 PolarHBondContact O-N 3.46Å |
| 1330 | T | 64.2 | Low | 73.4 | Confident | 52 Ų | 52 | 52.5 Ų | 52.5 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -76.2 | -38.8 | -178.9 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | H1056 H1326 L1327 | H1056-T1330 PolarHBondContact O-OG1 2.93Å; H1326-T1330 VanDerWaalsContact CE1-CG2 3.49Å; H1326-T1330 WeakPolarHBondContact CE1-CG2 3.45Å; H1326-T1330 PolarHBondContact O-N 2.88Å; H1326-T1330 PolarHBondContact O-OG1 2.99Å; L1327-T1330 PolarHBondContact O-OG1 3.27Å |
| 1331 | N | 64.8 | Low | 73.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -101.7 | -9.1 | -162.5 | -66 | -69.4 | 0 | 0 | 0 | 116.1 | H1056 Q1057 F1059 T1060 F1236 L1327 | H1056-N1331 PolarHBondContact O-ND2 2.91Å; H1056-N1331 PolarHBondContact O-OD1 2.98Å; Q1057-N1331 PolarHBondContact O-OD1 3.46Å; Q1057-N1331 VanDerWaalsContact O-OD1 3.12Å; F1059-N1331 HydrophobicContact CB-CB 3.57Å; F1059-N1331 WeakPolarHBondContact CB-OD1 3.44Å; F1059-N1331 PolarHBondContact N-OD1 3.23Å; F1059-N1331 VanDerWaalsContact N-OD1 3.15Å; T1060-N1331 WeakPolarHBondContact CG2-O 3.41Å; F1236-N1331 HydrophobicContact CE2-CB 4.15Å; L1327-N1331 VanDerWaalsContact O-CB 3.27Å; L1327-N1331 WeakPolarHBondContact O-CB 3.5Å; L1327-N1331 PolarHBondContact O-N 3.25Å; L1327-N1331 VanDerWaalsContact O-N 3.08Å; L1327-N1331 PolarHBondContact O-ND2 2.99Å |
| 1332 | N | 64.1 | Low | 73.2 | Confident | 134 Ų | 134 | 63.6 Ų | 63.6 | 72% | 0.717 | 33% | 0.329 | S | S | * | . | trans | 41.4 | 54.6 | -177.5 | -74.6 | -45.9 | 0 | 0 | 0 | 114.3 | ||||
| 1333 | P | 66.7 | Low | 73.3 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | trans | -60.9 | 141.5 | -175.6 | 28.5 | -37.8 | 0 | 0 | 0 | 111.8 | F1236 F1328 C1337 | F1236-P1333 HydrophobicContact CD1-CB 3.84Å; F1236-P1333 HydrophobicContact CD1-CG 3.89Å; F1236-P1333 HydrophobicContact CD2-CB 4.43Å; F1236-P1333 HydrophobicContact CE1-CB 4.1Å; F1236-P1333 HydrophobicContact CE1-CG 3.64Å; F1236-P1333 HydrophobicContact CG-CB 4.03Å; F1236-P1333 HydrophobicContact CG-CG 4.47Å; F1236-P1333 HydrophobicContact CZ-CB 4.47Å; F1236-P1333 HydrophobicContact CZ-CG 3.98Å; F1328-P1333 HydrophobicContact CD1-CG 3.38Å; F1328-P1333 HydrophobicContact CE1-CG 3.49Å; F1328-P1333 VanDerWaalsContact CE1-CG 3.49Å; F1328-P1333 HydrophobicContact CG-CG 4.42Å; P1333-C1337 HydrophobicContact CB-CB 4.03Å; P1333-C1337 HydrophobicContact CG-CB 4.21Å | ||
| 1334 | G | 62.4 | Low | 73.6 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 53% | 0.526 | 33% | 0.328 | S | S | . | . | trans | -61.1 | 164 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q1336 C1337 | G1334-Q1336 PolarHBondContact O-N 3.27Å; G1334-C1337 PolarHBondContact O-N 2.66Å | ||
| 1335 | K | 66 | Low | 73.7 | Confident | 184 Ų | 184 | 67.7 Ų | 67.7 | 80% | 0.8 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -47.9 | -24.7 | -170.2 | -63.2 | -177.6 | -179.8 | 179.9 | 0 | 116.1 | C1337 N1338 | K1335-C1337 PolarHBondContact O-N 2.99Å; K1335-N1338 VanDerWaalsContact O-CB 3.29Å; K1335-N1338 WeakPolarHBondContact O-CB 3.33Å; K1335-N1338 PolarHBondContact O-N 3.49Å; K1335-N1338 VanDerWaalsContact O-N 3.12Å |
| 1336 | Q | 66.2 | Low | 73.9 | Confident | 145 Ų | 145 | 69.3 Ų | 69.3 | 68% | 0.678 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -56.5 | -31.7 | 172.9 | -66.9 | 171.3 | -14.7 | 0 | 0 | 112.8 | G1334 N1338 | G1334-Q1336 PolarHBondContact O-N 3.27Å; Q1336-N1338 VanDerWaalsContact C-N 3.32Å; Q1336-N1338 PolarHBondContact O-N 2.86Å |
| 1337 | C | 73.3 | Confident | 74.4 | Confident | 8 Ų | 8 | 66 Ų | 66 | 5% | 0.054 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -83.2 | 1.7 | 178.7 | -70.2 | 0 | 0 | 0 | 0 | 114.2 | F1236 F1328 P1333 G1334 K1335 S1339 L1340 K1341 | F1236-C1337 HydrophobicContact CD1-CB 4.5Å; F1328-C1337 HydrophobicContact CE1-CB 3.94Å; F1328-C1337 HydrophobicContact CZ-CB 4.23Å; P1333-C1337 HydrophobicContact CB-CB 4.03Å; P1333-C1337 HydrophobicContact CG-CB 4.21Å; G1334-C1337 PolarHBondContact O-N 2.66Å; K1335-C1337 PolarHBondContact O-N 2.99Å; C1337-S1339 VanDerWaalsContact C-N 3.3Å; C1337-S1339 PolarHBondContact O-N 2.95Å; C1337-L1340 WeakPolarHBondContact O-CB 3.47Å; C1337-L1340 PolarHBondContact O-N 2.7Å; C1337-K1341 PolarHBondContact O-N 3.01Å |
| 1338 | N | 74.8 | Confident | 74.9 | Confident | 97 Ų | 97 | 65.9 Ų | 65.9 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58 | -41.5 | 180 | -74.9 | -1.1 | 0 | 0 | 0 | 112.3 | K1335 Q1336 L1340 K1341 Q1342 | K1335-N1338 VanDerWaalsContact O-CB 3.29Å; K1335-N1338 WeakPolarHBondContact O-CB 3.33Å; K1335-N1338 PolarHBondContact O-N 3.49Å; K1335-N1338 VanDerWaalsContact O-N 3.12Å; Q1336-N1338 VanDerWaalsContact C-N 3.32Å; Q1336-N1338 PolarHBondContact O-N 2.86Å; N1338-L1340 VanDerWaalsContact C-N 3.28Å; N1338-L1340 PolarHBondContact O-N 3.38Å; N1338-K1341 PolarHBondContact O-N 3.34Å; N1338-Q1342 PolarHBondContact O-N 3.04Å |
| 1339 | S | 77.3 | Confident | 75.4 | Confident | 54 Ų | 54 | 66.1 Ų | 66.1 | 38% | 0.378 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.4 | -32.1 | 176.9 | -52.8 | 0 | 0 | 0 | 0 | 112.7 | C1337 L1343 | C1337-S1339 VanDerWaalsContact C-N 3.3Å; C1337-S1339 PolarHBondContact O-N 2.95Å; S1339-L1343 VanDerWaalsContact O-CB 3.3Å; S1339-L1343 WeakPolarHBondContact O-CB 3.43Å; S1339-L1343 PolarHBondContact O-N 3.4Å; S1339-L1343 VanDerWaalsContact O-N 3.09Å |
| 1340 | L | 81.1 | Confident | 76 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -75.7 | -36.4 | 174.1 | 177.5 | 60.9 | 0 | 0 | 0 | 111.6 | A1235 V1238 H1276 F1328 C1337 N1338 L1343 L1344 | A1235-L1340 VanDerWaalsContact O-CD2 3.22Å; A1235-L1340 WeakPolarHBondContact O-CD2 3.46Å; V1238-L1340 HydrophobicContact CG2-CD2 4.13Å; H1276-L1340 HydrophobicContact CB-CD1 4.42Å; F1328-L1340 HydrophobicContact CE2-CD2 4.43Å; F1328-L1340 HydrophobicContact CE2-CG 4.06Å; F1328-L1340 HydrophobicContact CZ-CB 4.12Å; F1328-L1340 HydrophobicContact CZ-CD2 4.2Å; F1328-L1340 HydrophobicContact CZ-CG 3.91Å; C1337-L1340 WeakPolarHBondContact O-CB 3.47Å; C1337-L1340 PolarHBondContact O-N 2.7Å; N1338-L1340 VanDerWaalsContact C-N 3.28Å; N1338-L1340 PolarHBondContact O-N 3.38Å; L1340-L1343 HydrophobicContact CD1-CD2 4.4Å; L1340-L1343 PolarHBondContact O-N 3.17Å; L1340-L1344 WeakPolarHBondContact O-CB 3.48Å; L1340-L1344 PolarHBondContact O-N 2.97Å |
| 1341 | K | 81.2 | Confident | 76.9 | Confident | 129 Ų | 129 | 59.7 Ų | 59.7 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.9 | -46.1 | 174.6 | -171.8 | 178.2 | 177.3 | 178.1 | 0 | 111.2 | F1328 C1337 N1338 L1344 F1345 | F1328-K1341 HydrophobicContact CD1-CB 4.22Å; F1328-K1341 HydrophobicContact CD1-CD 4.4Å; F1328-K1341 HydrophobicContact CD1-CG 4.27Å; F1328-K1341 HydrophobicContact CE1-CB 3.68Å; F1328-K1341 HydrophobicContact CE1-CG 4.23Å; F1328-K1341 HydrophobicContact CE2-CB 4.23Å; F1328-K1341 HydrophobicContact CZ-CB 3.69Å; F1328-K1341 HydrophobicContact CZ-CG 4.45Å; C1337-K1341 PolarHBondContact O-N 3.01Å; N1338-K1341 PolarHBondContact O-N 3.34Å; K1341-L1344 PolarHBondContact O-N 3.35Å; K1341-F1345 PolarHBondContact O-N 2.99Å; K1341-F1345 VanDerWaalsContact O-N 3.15Å |
| 1342 | Q | 83.3 | Confident | 77.6 | Confident | 105 Ų | 105 | 59.7 Ų | 59.7 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -50 | 175.4 | -173.1 | 60.5 | 46 | 0 | 0 | 110.9 | N1338 L1344 F1345 D1346 | N1338-Q1342 PolarHBondContact O-N 3.04Å; Q1342-L1344 PolarHBondContact O-N 3.08Å; Q1342-L1344 VanDerWaalsContact O-N 3.16Å; Q1342-F1345 PolarHBondContact O-N 3.06Å; Q1342-F1345 VanDerWaalsContact O-N 3.07Å; Q1342-D1346 PolarHBondContact NE2-OD1 3.3Å; Q1342-D1346 PolarHBondContact O-N 3.02Å |
| 1343 | L | 83.3 | Confident | 78.4 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.5 | -35.8 | 177.9 | -167.9 | 86.5 | 0 | 0 | 0 | 112.8 | H1276 T1284 S1339 L1340 A1347 | H1276-L1343 HydrophobicContact CB-CD2 3.8Å; T1284-L1343 HydrophobicContact CG2-CD1 3.95Å; T1284-L1343 HydrophobicContact CG2-CD2 3.81Å; T1284-L1343 HydrophobicContact CG2-CG 3.83Å; S1339-L1343 VanDerWaalsContact O-CB 3.3Å; S1339-L1343 WeakPolarHBondContact O-CB 3.43Å; S1339-L1343 PolarHBondContact O-N 3.4Å; S1339-L1343 VanDerWaalsContact O-N 3.09Å; L1340-L1343 HydrophobicContact CD1-CD2 4.4Å; L1340-L1343 PolarHBondContact O-N 3.17Å; L1343-A1347 WeakPolarHBondContact O-CB 3.46Å; L1343-A1347 PolarHBondContact O-N 2.76Å |
| 1344 | L | 84.4 | Confident | 78.9 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.1 | -34.9 | -179.8 | -169.3 | 142.8 | 0 | 0 | 0 | 112.2 | L1279 L1283 I1321 S1325 L1340 K1341 Q1342 A1347 G1348 F1382 | L1279-L1344 HydrophobicContact CD2-CD1 3.84Å; L1279-L1344 HydrophobicContact CG-CD1 4.43Å; L1283-L1344 HydrophobicContact CD1-CD1 4.31Å; I1321-L1344 HydrophobicContact CG2-CD2 4.19Å; S1325-L1344 WeakPolarHBondContact OG-CD2 3.42Å; L1340-L1344 WeakPolarHBondContact O-CB 3.48Å; L1340-L1344 PolarHBondContact O-N 2.97Å; K1341-L1344 PolarHBondContact O-N 3.35Å; Q1342-L1344 PolarHBondContact O-N 3.08Å; Q1342-L1344 VanDerWaalsContact O-N 3.16Å; L1344-A1347 PolarHBondContact O-N 2.88Å; L1344-G1348 PolarHBondContact O-N 3.04Å; L1344-G1348 VanDerWaalsContact O-N 3.1Å; L1344-F1382 HydrophobicContact CD2-CE1 4.25Å; L1344-F1382 HydrophobicContact CD2-CZ 4.32Å |
| 1345 | F | 83.2 | Confident | 79.5 | Confident | 91 Ų | 91 | 55.9 Ų | 55.9 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 169 | -173.8 | -101.4 | 0 | 0 | 0 | 111.8 | K1341 Q1342 A1347 G1348 N1349 F1382 | K1341-F1345 PolarHBondContact O-N 2.99Å; K1341-F1345 VanDerWaalsContact O-N 3.15Å; Q1342-F1345 PolarHBondContact O-N 3.06Å; Q1342-F1345 VanDerWaalsContact O-N 3.07Å; F1345-A1347 VanDerWaalsContact C-N 3.31Å; F1345-A1347 PolarHBondContact O-N 3.46Å; F1345-G1348 PolarHBondContact O-N 3.08Å; F1345-N1349 WeakPolarHBondContact CD1-ND2 3.35Å; F1345-N1349 WeakPolarHBondContact CE1-ND2 3.48Å; F1345-N1349 WeakPolarHBondContact CZ-ND2 3.39Å; F1345-N1349 PolarHBondContact O-N 3.24Å; F1345-N1349 VanDerWaalsContact O-N 3.07Å; F1345-N1349 PolarHBondContact O-ND2 3.31Å; F1345-F1382 AromaticContact CD2-CD1 3.8Å; F1345-F1382 HydrophobicContact CD2-CD1 3.8Å; F1345-F1382 HydrophobicContact CD2-CE1 4.37Å; F1345-F1382 HydrophobicContact CE2-CB 4.5Å; F1345-F1382 HydrophobicContact CE2-CD1 4.32Å; F1345-F1382 WeakPolarHBondContact CE2-O 3.5Å; F1345-F1382 HydrophobicContact CG-CD1 4.46Å; F1345-F1382 VanDerWaalsContact CZ-O 3.3Å; F1345-F1382 WeakPolarHBondContact CZ-O 3.45Å |
| 1346 | D | 83.9 | Confident | 79.7 | Confident | 75 Ų | 75 | 49 Ų | 49 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.4 | -37.1 | 175.2 | -62.6 | -19.8 | 0 | 0 | 0 | 111.3 | Q1342 N1349 Q1350 | Q1342-D1346 PolarHBondContact NE2-OD1 3.3Å; Q1342-D1346 PolarHBondContact O-N 3.02Å; D1346-N1349 PolarHBondContact O-N 3.32Å; D1346-Q1350 WeakPolarHBondContact O-CB 3.43Å; D1346-Q1350 PolarHBondContact O-N 3.38Å |
| 1347 | A | 85 | Confident | 79.8 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1283 I1288 I1321 L1343 L1344 F1345 Q1350 L1351 | L1283-A1347 HydrophobicContact CD1-CB 4.49Å; I1288-A1347 HydrophobicContact CD1-CB 3.76Å; I1321-A1347 HydrophobicContact CD1-CB 4.2Å; L1343-A1347 WeakPolarHBondContact O-CB 3.46Å; L1343-A1347 PolarHBondContact O-N 2.76Å; L1344-A1347 PolarHBondContact O-N 2.88Å; F1345-A1347 VanDerWaalsContact C-N 3.31Å; F1345-A1347 PolarHBondContact O-N 3.46Å; A1347-Q1350 PolarHBondContact O-N 3.1Å; A1347-L1351 WeakPolarHBondContact O-CB 3.3Å; A1347-L1351 PolarHBondContact O-N 3.12Å |
| 1348 | G | 84.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1344 F1345 L1351 L1352 | L1344-G1348 PolarHBondContact O-N 3.04Å; L1344-G1348 VanDerWaalsContact O-N 3.1Å; F1345-G1348 PolarHBondContact O-N 3.08Å; G1348-L1351 PolarHBondContact O-N 3.39Å; G1348-L1352 WeakPolarHBondContact O-CB 3.29Å; G1348-L1352 PolarHBondContact O-N 3.47Å |
| 1349 | N | 83.4 | Confident | 77.9 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 173.3 | -78.4 | -64.5 | 0 | 0 | 0 | 112.8 | F1345 D1346 L1352 N1353 N1383 | F1345-N1349 WeakPolarHBondContact CD1-ND2 3.35Å; F1345-N1349 WeakPolarHBondContact CE1-ND2 3.48Å; F1345-N1349 WeakPolarHBondContact CZ-ND2 3.39Å; F1345-N1349 PolarHBondContact O-N 3.24Å; F1345-N1349 VanDerWaalsContact O-N 3.07Å; F1345-N1349 PolarHBondContact O-ND2 3.31Å; D1346-N1349 PolarHBondContact O-N 3.32Å; N1349-L1352 PolarHBondContact O-N 2.93Å; N1349-N1353 WeakPolarHBondContact O-CB 3.21Å; N1349-N1353 VanDerWaalsContact O-CG 3.23Å; N1349-N1353 PolarHBondContact O-N 3.46Å; N1349-N1353 PolarHBondContact O-ND2 3.27Å; N1349-N1353 VanDerWaalsContact O-ND2 3.09Å; N1349-N1383 WeakPolarHBondContact OD1-CB 3.43Å |
| 1350 | Q | 83.8 | Confident | 76.8 | Confident | 91 Ų | 91 | 52.2 Ų | 52.2 | 43% | 0.425 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 177.8 | -172.2 | -178.1 | 4.4 | 0 | 0 | 111.1 | I1288 D1346 A1347 N1353 I1354 | I1288-Q1350 HydrophobicContact CG2-CG 4.23Å; D1346-Q1350 WeakPolarHBondContact O-CB 3.43Å; D1346-Q1350 PolarHBondContact O-N 3.38Å; A1347-Q1350 PolarHBondContact O-N 3.1Å; Q1350-N1353 PolarHBondContact O-N 3.46Å; Q1350-I1354 HydrophobicContact CG-CD1 3.86Å; Q1350-I1354 HydrophobicContact CG-CG1 4.47Å; Q1350-I1354 WeakPolarHBondContact O-CB 3.41Å; Q1350-I1354 WeakPolarHBondContact O-CD1 3.28Å; Q1350-I1354 WeakPolarHBondContact O-CG1 3.29Å; Q1350-I1354 PolarHBondContact O-N 3.47Å |
| 1351 | L | 83.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 174.5 | 174.1 | 58.5 | 0 | 0 | 0 | 110.9 | L1291 I1317 T1318 I1321 A1347 G1348 N1353 I1354 L1355 L1379 | L1291-L1351 HydrophobicContact CD2-CD1 3.4Å; I1317-L1351 HydrophobicContact CB-CD2 4.25Å; I1317-L1351 HydrophobicContact CG2-CD2 3.79Å; T1318-L1351 WeakPolarHBondContact OG1-CD2 3.33Å; I1321-L1351 HydrophobicContact CD1-CD2 4.17Å; A1347-L1351 WeakPolarHBondContact O-CB 3.3Å; A1347-L1351 PolarHBondContact O-N 3.12Å; G1348-L1351 PolarHBondContact O-N 3.39Å; L1351-N1353 VanDerWaalsContact C-N 3.31Å; L1351-N1353 PolarHBondContact O-N 3.35Å; L1351-I1354 WeakPolarHBondContact O-CB 3.24Å; L1351-I1354 PolarHBondContact O-N 3.18Å; L1351-I1354 VanDerWaalsContact O-N 3.16Å; L1351-L1355 HydrophobicContact CD1-CD1 4.12Å; L1351-L1355 HydrophobicContact CD1-CG 4.14Å; L1351-L1355 HydrophobicContact CG-CD1 4.11Å; L1351-L1355 WeakPolarHBondContact O-CB 3.25Å; L1351-L1355 WeakPolarHBondContact O-CG 3.45Å; L1351-L1355 PolarHBondContact O-N 3.1Å; L1351-L1379 HydrophobicContact CD2-CD1 3.72Å; L1351-L1379 HydrophobicContact CG-CD1 4.16Å |
| 1352 | L | 79.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 178.6 | -176.1 | 66.2 | 0 | 0 | 0 | 112.9 | G1348 N1349 L1355 N1356 N1383 L1386 I1387 | G1348-L1352 WeakPolarHBondContact O-CB 3.29Å; G1348-L1352 PolarHBondContact O-N 3.47Å; N1349-L1352 PolarHBondContact O-N 2.93Å; L1352-L1355 PolarHBondContact O-N 2.95Å; L1352-N1356 WeakPolarHBondContact O-CB 3.31Å; L1352-N1356 PolarHBondContact O-N 3.48Å; L1352-N1383 HydrophobicContact CD2-CB 3.73Å; L1352-L1386 HydrophobicContact CD1-CD2 4Å; L1352-L1386 HydrophobicContact CD2-CB 4.28Å; L1352-L1386 HydrophobicContact CD2-CD1 4.07Å; L1352-L1386 HydrophobicContact CD2-CD2 3.91Å; L1352-L1386 HydrophobicContact CD2-CG 4.32Å; L1352-L1386 HydrophobicContact CG-CD1 4.18Å; L1352-L1386 HydrophobicContact CG-CD2 3.74Å; L1352-I1387 HydrophobicContact CD1-CD1 3.86Å; L1352-I1387 HydrophobicContact CD1-CG1 3.63Å; L1352-I1387 HydrophobicContact CD2-CD1 3.66Å; L1352-I1387 HydrophobicContact CD2-CG1 3.83Å; L1352-I1387 HydrophobicContact CG-CD1 4.41Å; L1352-I1387 HydrophobicContact CG-CG1 4.35Å |
| 1353 | N | 80.4 | Confident | 72.8 | Confident | 90 Ų | 90 | 54.5 Ų | 54.5 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71.2 | -36.7 | 174 | -75.4 | -33.5 | 0 | 0 | 0 | 112.7 | N1349 Q1350 L1351 L1355 H1357 L1386 | N1349-N1353 WeakPolarHBondContact O-CB 3.21Å; N1349-N1353 VanDerWaalsContact O-CG 3.23Å; N1349-N1353 PolarHBondContact O-N 3.46Å; N1349-N1353 PolarHBondContact O-ND2 3.27Å; N1349-N1353 VanDerWaalsContact O-ND2 3.09Å; Q1350-N1353 PolarHBondContact O-N 3.46Å; L1351-N1353 VanDerWaalsContact C-N 3.31Å; L1351-N1353 PolarHBondContact O-N 3.35Å; N1353-L1355 VanDerWaalsContact C-N 3.33Å; N1353-H1357 WeakPolarHBondContact O-CB 3.45Å; N1353-H1357 PolarHBondContact O-N 3.31Å; N1353-H1357 VanDerWaalsContact O-N 3.13Å; N1353-L1386 WeakPolarHBondContact OD1-CD1 3.35Å |
| 1354 | I | 77.1 | Confident | 71.3 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 172.5 | -75.1 | 163 | 0 | 0 | 0 | 110.3 | I1288 L1291 T1292 L1295 Q1350 L1351 | I1288-I1354 HydrophobicContact CG2-CD1 3.6Å; L1291-I1354 HydrophobicContact CD2-CG2 4.33Å; T1292-I1354 WeakPolarHBondContact OG1-CD1 3.32Å; L1295-I1354 HydrophobicContact CD1-CG2 3.41Å; L1295-I1354 VanDerWaalsContact CD1-CG2 3.41Å; Q1350-I1354 HydrophobicContact CG-CD1 3.86Å; Q1350-I1354 HydrophobicContact CG-CG1 4.47Å; Q1350-I1354 WeakPolarHBondContact O-CB 3.41Å; Q1350-I1354 WeakPolarHBondContact O-CD1 3.28Å; Q1350-I1354 WeakPolarHBondContact O-CG1 3.29Å; Q1350-I1354 PolarHBondContact O-N 3.47Å; L1351-I1354 WeakPolarHBondContact O-CB 3.24Å; L1351-I1354 PolarHBondContact O-N 3.18Å; L1351-I1354 VanDerWaalsContact O-N 3.16Å |
| 1355 | L | 74 | Confident | 69.8 | Low | 13 Ų | 13 | 60.8 Ų | 60.8 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -57.1 | 174.5 | -70.3 | 171.7 | 0 | 0 | 0 | 110.3 | L1351 L1352 N1353 H1357 S1360 Y1372 C1375 | L1351-L1355 HydrophobicContact CD1-CD1 4.12Å; L1351-L1355 HydrophobicContact CD1-CG 4.14Å; L1351-L1355 HydrophobicContact CG-CD1 4.11Å; L1351-L1355 WeakPolarHBondContact O-CB 3.25Å; L1351-L1355 WeakPolarHBondContact O-CG 3.45Å; L1351-L1355 PolarHBondContact O-N 3.1Å; L1352-L1355 PolarHBondContact O-N 2.95Å; N1353-L1355 VanDerWaalsContact C-N 3.33Å; L1355-H1357 PolarHBondContact O-N 2.92Å; L1355-H1357 VanDerWaalsContact O-N 3.11Å; L1355-S1360 WeakPolarHBondContact O-CB 3.25Å; L1355-S1360 PolarHBondContact O-OG 2.98Å; L1355-Y1372 VanDerWaalsContact C-CE2 3.43Å; L1355-Y1372 HydrophobicContact CB-CD2 4.04Å; L1355-Y1372 HydrophobicContact CB-CE2 3.65Å; L1355-Y1372 HydrophobicContact CD2-CD2 4.27Å; L1355-Y1372 WeakPolarHBondContact O-CE2 3.21Å; L1355-C1375 HydrophobicContact CD1-CB 4.04Å |
| 1356 | N | 71.1 | Confident | 68.6 | Low | 39 Ų | 39 | 62.4 Ų | 62.4 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.8 | -6.5 | -175.1 | -164.6 | 6.9 | 0 | 0 | 0 | 115.1 | L1352 N1358 K1361 Y1372 L1386 | L1352-N1356 WeakPolarHBondContact O-CB 3.31Å; L1352-N1356 PolarHBondContact O-N 3.48Å; N1356-N1358 PolarHBondContact O-N 3.39Å; N1356-K1361 WeakPolarHBondContact O-CE 3.5Å; N1356-K1361 PolarHBondContact O-NZ 3.31Å; N1356-K1361 WeakPolarHBondContact OD1-CE 3.23Å; N1356-K1361 PolarHBondContact OD1-NZ 3.14Å; N1356-Y1372 VanDerWaalsContact CA-OH 3.24Å; N1356-Y1372 WeakPolarHBondContact CA-OH 3.47Å; N1356-Y1372 WeakPolarHBondContact CB-OH 3.44Å; N1356-Y1372 PolarHBondContact N-OH 2.93Å; N1356-L1386 HydrophobicContact CB-CD2 4.17Å; N1356-L1386 VanDerWaalsContact ND2-CD2 3.26Å; N1356-L1386 WeakPolarHBondContact ND2-CD2 3.18Å |
| 1357 | H | 67 | Low | 67.5 | Low | 118 Ų | 118 | 64.8 Ų | 64.8 | 55% | 0.546 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -64.4 | 120.8 | -179.1 | 177.2 | -81.4 | 0 | 0 | 0 | 112.1 | N1353 L1355 K1359 S1360 | N1353-H1357 WeakPolarHBondContact O-CB 3.45Å; N1353-H1357 PolarHBondContact O-N 3.31Å; N1353-H1357 VanDerWaalsContact O-N 3.13Å; L1355-H1357 PolarHBondContact O-N 2.92Å; L1355-H1357 VanDerWaalsContact O-N 3.11Å; H1357-K1359 PolarHBondContact O-N 3.41Å; H1357-S1360 PolarHBondContact O-N 3.48Å; H1357-S1360 PolarHBondContact O-OG 2.96Å |
| 1358 | N | 55.7 | Low | 66.6 | Low | 111 Ų | 111 | 65.7 Ų | 65.7 | 59% | 0.594 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.6 | -33.8 | -163.6 | -70.7 | -8.9 | 0 | 0 | 0 | 118.2 | N1356 S1360 K1361 | N1356-N1358 PolarHBondContact O-N 3.39Å; N1358-S1360 PolarHBondContact O-N 3.39Å; N1358-K1361 VanDerWaalsContact O-CB 3.28Å; N1358-K1361 WeakPolarHBondContact O-CB 3.41Å; N1358-K1361 PolarHBondContact O-N 2.79Å; N1358-K1361 PolarHBondContact OD1-NZ 2.83Å |
| 1359 | K | 54.4 | Low | 65.8 | Low | 129 Ų | 129 | 66.3 Ų | 66.3 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -56.5 | -31.3 | 173.1 | -74.3 | -160.6 | 165.4 | -144.3 | 0 | 114.6 | H1357 K1361 E1362 I1363 | H1357-K1359 PolarHBondContact O-N 3.41Å; K1359-K1361 PolarHBondContact O-N 2.99Å; K1359-E1362 PolarHBondContact O-N 2.87Å; K1359-I1363 VanDerWaalsContact O-CD1 3.31Å; K1359-I1363 WeakPolarHBondContact O-CD1 3.39Å; K1359-I1363 WeakPolarHBondContact O-CG1 3.45Å |
| 1360 | S | 54.2 | Low | 65 | Low | 14 Ų | 14 | 66.3 Ų | 66.3 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.2 | -31.1 | 173.5 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | L1355 H1357 N1358 I1363 M1364 | L1355-S1360 WeakPolarHBondContact O-CB 3.25Å; L1355-S1360 PolarHBondContact O-OG 2.98Å; H1357-S1360 PolarHBondContact O-N 3.48Å; H1357-S1360 PolarHBondContact O-OG 2.96Å; N1358-S1360 PolarHBondContact O-N 3.39Å; S1360-I1363 CarbonylContact O-C 3.55Å; S1360-I1363 WeakPolarHBondContact O-CA 3.41Å; S1360-I1363 WeakPolarHBondContact O-CB 3.24Å; S1360-I1363 PolarHBondContact O-N 3.07Å; S1360-M1364 WeakPolarHBondContact O-CG 3.34Å; S1360-M1364 PolarHBondContact O-N 3.34Å |
| 1361 | K | 54.3 | Low | 64.2 | Low | 88 Ų | 88 | 62.6 Ų | 62.6 | 38% | 0.383 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.9 | -36.3 | -177.8 | -57.6 | 173.4 | -176 | 158.2 | 0 | 111.2 | N1356 N1358 K1359 I1363 M1364 | N1356-K1361 WeakPolarHBondContact O-CE 3.5Å; N1356-K1361 PolarHBondContact O-NZ 3.31Å; N1356-K1361 WeakPolarHBondContact OD1-CE 3.23Å; N1356-K1361 PolarHBondContact OD1-NZ 3.14Å; N1358-K1361 VanDerWaalsContact O-CB 3.28Å; N1358-K1361 WeakPolarHBondContact O-CB 3.41Å; N1358-K1361 PolarHBondContact O-N 2.79Å; N1358-K1361 PolarHBondContact OD1-NZ 2.83Å; K1359-K1361 PolarHBondContact O-N 2.99Å; K1361-I1363 PolarHBondContact O-N 2.69Å; K1361-M1364 HydrophobicContact CB-CE 4.17Å; K1361-M1364 HydrophobicContact CG-CE 3.65Å; K1361-M1364 PolarHBondContact O-N 2.8Å |
| 1362 | E | 53.8 | Low | 63.6 | Low | 151 Ų | 151 | 63 Ų | 63 | 71% | 0.706 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.6 | -27.9 | 169.9 | -58.1 | 175.2 | 122.7 | 0 | 0 | 112.2 | K1359 | K1359-E1362 PolarHBondContact O-N 2.87Å |
| 1363 | I | 52.5 | Low | 63.1 | Low | 43 Ų | 43 | 63.3 Ų | 63.3 | 22% | 0.221 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -91.8 | -21.5 | -178.5 | -64 | 158.4 | 0 | 0 | 0 | 112.1 | L1300 L1307 K1359 S1360 K1361 N1365 L1368 | L1300-I1363 HydrophobicContact CD2-CD1 3.65Å; L1300-I1363 HydrophobicContact CD2-CG1 4.35Å; L1300-I1363 HydrophobicContact CD2-CG2 4.07Å; L1307-I1363 HydrophobicContact CD2-CG2 3.91Å; K1359-I1363 VanDerWaalsContact O-CD1 3.31Å; K1359-I1363 WeakPolarHBondContact O-CD1 3.39Å; K1359-I1363 WeakPolarHBondContact O-CG1 3.45Å; S1360-I1363 CarbonylContact O-C 3.55Å; S1360-I1363 WeakPolarHBondContact O-CA 3.41Å; S1360-I1363 WeakPolarHBondContact O-CB 3.24Å; S1360-I1363 PolarHBondContact O-N 3.07Å; K1361-I1363 PolarHBondContact O-N 2.69Å; I1363-N1365 PolarHBondContact O-N 2.85Å; I1363-L1368 HydrophobicContact CG2-CD1 3.85Å |
| 1364 | M | 51.7 | Low | 62.6 | Low | 22 Ų | 22 | 59.3 Ų | 59.3 | 11% | 0.108 | 29% | 0.293 | C | S | . | . | trans | -72.8 | 27.4 | -176.3 | -84.5 | -165.4 | -68.7 | 0 | 0 | 114.6 | S1360 K1361 N1366 L1369 Y1372 F1390 | S1360-M1364 WeakPolarHBondContact O-CG 3.34Å; S1360-M1364 PolarHBondContact O-N 3.34Å; K1361-M1364 HydrophobicContact CB-CE 4.17Å; K1361-M1364 HydrophobicContact CG-CE 3.65Å; K1361-M1364 PolarHBondContact O-N 2.8Å; M1364-N1366 PolarHBondContact O-N 3.13Å; M1364-L1369 HydrophobicContact CB-CD1 4.36Å; M1364-L1369 HydrophobicContact CG-CD1 4.37Å; M1364-L1369 HydrophobicContact SD-CD1 3.61Å; M1364-Y1372 HydrophobicContact CE-CD2 3.91Å; M1364-Y1372 HydrophobicContact CE-CE2 3.81Å; M1364-Y1372 HydrophobicContact CG-CD2 4.48Å; M1364-Y1372 HydrophobicContact SD-CD1 4.25Å; M1364-Y1372 HydrophobicContact SD-CD2 3.24Å; M1364-Y1372 WeakPolarHBondContact SD-CD2 3.5Å; M1364-Y1372 HydrophobicContact SD-CE2 3.8Å; M1364-Y1372 HydrophobicContact SD-CG 3.51Å; M1364-Y1372 VanDerWaalsContact SD-CG 3.51Å; M1364-F1390 HydrophobicContact CE-CE2 4.21Å; M1364-F1390 HydrophobicContact CE-CZ 4.44Å | ||
| 1365 | N | 53.7 | Low | 62.5 | Low | 144 Ų | 144 | 58 Ų | 58 | 77% | 0.77 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -77.5 | 45.9 | -176.1 | -134.2 | 10.8 | 0 | 0 | 0 | 113 | I1363 | I1363-N1365 PolarHBondContact O-N 2.85Š|
| 1366 | N | 58.4 | Low | 62.4 | Low | 124 Ų | 124 | 57.4 Ų | 57.4 | 66% | 0.663 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 115.3 | -69.5 | 173.8 | -61.2 | -51.8 | 0 | 0 | 0 | 116.2 | M1364 L1368 L1369 | M1364-N1366 PolarHBondContact O-N 3.13Å; N1366-L1368 PolarHBondContact O-N 3.14Å; N1366-L1369 VanDerWaalsContact O-CB 3.28Å; N1366-L1369 WeakPolarHBondContact O-CB 3.48Å; N1366-L1369 PolarHBondContact O-N 3.23Å; N1366-L1369 VanDerWaalsContact O-N 3.08Å |
| 1367 | Q | 60.1 | Low | 62.4 | Low | 126 Ų | 126 | 56.4 Ų | 56.4 | 59% | 0.589 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -57.1 | -49.6 | -166.3 | -72.2 | -178.1 | -7.3 | 0 | 0 | 115 | L1369 | Q1367-L1369 VanDerWaalsContact C-N 3.26Å; Q1367-L1369 PolarHBondContact O-N 3.26Å |
| 1368 | L | 65.3 | Low | 62.7 | Low | 19 Ų | 19 | 53.7 Ų | 53.7 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -77.4 | -8.9 | -178.8 | -87 | 169 | 0 | 0 | 0 | 113.9 | L1307 I1310 I1363 N1366 T1371 Y1372 | L1307-L1368 HydrophobicContact CB-CD1 4.46Å; L1307-L1368 HydrophobicContact CD2-CD1 3.65Å; I1310-L1368 HydrophobicContact CB-CD2 4.38Å; I1310-L1368 HydrophobicContact CG2-CD1 4.05Å; I1310-L1368 HydrophobicContact CG2-CD2 3.87Å; I1363-L1368 HydrophobicContact CG2-CD1 3.85Å; N1366-L1368 PolarHBondContact O-N 3.14Å; L1368-T1371 PolarHBondContact O-N 3.42Å; L1368-Y1372 WeakPolarHBondContact O-CB 3.47Å; L1368-Y1372 PolarHBondContact O-N 3.22Å |
| 1369 | L | 67.4 | Low | 63.7 | Low | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.7 | -40.3 | -173.2 | -174 | 51.6 | 0 | 0 | 0 | 111.9 | M1364 N1366 Q1367 Y1372 I1373 L1394 I1398 | M1364-L1369 HydrophobicContact CB-CD1 4.36Å; M1364-L1369 HydrophobicContact CG-CD1 4.37Å; M1364-L1369 HydrophobicContact SD-CD1 3.61Å; N1366-L1369 VanDerWaalsContact O-CB 3.28Å; N1366-L1369 WeakPolarHBondContact O-CB 3.48Å; N1366-L1369 PolarHBondContact O-N 3.23Å; N1366-L1369 VanDerWaalsContact O-N 3.08Å; Q1367-L1369 VanDerWaalsContact C-N 3.26Å; Q1367-L1369 PolarHBondContact O-N 3.26Å; L1369-Y1372 WeakPolarHBondContact O-CB 3.24Å; L1369-Y1372 PolarHBondContact O-N 3.46Å; L1369-I1373 HydrophobicContact CD1-CD1 3.97Å; L1369-I1373 HydrophobicContact CD1-CG1 4.22Å; L1369-I1373 HydrophobicContact CG-CD1 3.99Å; L1369-I1373 WeakPolarHBondContact O-CD1 3.34Å; L1369-I1373 VanDerWaalsContact O-CG1 3.23Å; L1369-I1373 WeakPolarHBondContact O-CG1 3.39Å; L1369-I1373 PolarHBondContact O-N 3.29Å; L1369-L1394 HydrophobicContact CD1-CD2 4.16Å; L1369-I1398 HydrophobicContact CD2-CD1 3.82Å; L1369-I1398 HydrophobicContact CD2-CG2 3.57Å; L1369-I1398 HydrophobicContact CG-CG2 4.04Å |
| 1370 | F | 66.5 | Low | 64.4 | Low | 27 Ų | 27 | 44.2 Ų | 44.2 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -50.1 | 172.1 | -176.5 | -88.4 | 0 | 0 | 0 | 111 | Y1372 I1373 T1374 F1402 Q1405 F1412 | F1370-Y1372 VanDerWaalsContact C-N 3.33Å; F1370-Y1372 PolarHBondContact O-N 2.91Å; F1370-I1373 PolarHBondContact O-N 3.07Å; F1370-T1374 WeakPolarHBondContact O-CB 3.48Å; F1370-T1374 PolarHBondContact O-N 3.16Å; F1370-T1374 PolarHBondContact O-OG1 3.48Å; F1370-F1402 HydrophobicContact CB-CD2 4.48Å; F1370-F1402 HydrophobicContact CD1-CE2 4.45Å; F1370-F1402 AromaticContact CD2-CD2 3.29Å; F1370-F1402 HydrophobicContact CD2-CD2 3.29Å; F1370-F1402 AromaticContact CD2-CE2 3.5Å; F1370-F1402 HydrophobicContact CD2-CE2 3.5Å; F1370-F1402 HydrophobicContact CD2-CG 4.38Å; F1370-F1402 HydrophobicContact CE1-CE2 4.49Å; F1370-F1402 AromaticContact CE2-CD2 3.59Å; F1370-F1402 HydrophobicContact CE2-CD2 3.59Å; F1370-F1402 AromaticContact CE2-CE2 3.53Å; F1370-F1402 HydrophobicContact CE2-CE2 3.53Å; F1370-F1402 HydrophobicContact CE2-CG 4.49Å; F1370-F1402 HydrophobicContact CE2-CZ 4.41Å; F1370-F1402 HydrophobicContact CG-CD2 4.02Å; F1370-F1402 AromaticContact CG-CE2 3.97Å; F1370-F1402 HydrophobicContact CG-CE2 3.97Å; F1370-F1402 HydrophobicContact CZ-CE2 4.05Å; F1370-Q1405 HydrophobicContact CD2-CB 3.97Å; F1370-Q1405 HydrophobicContact CE2-CB 3.63Å; F1370-F1412 HydrophobicContact CZ-CE1 4.11Å; F1370-F1412 AromaticContact CZ-CZ 3.94Å; F1370-F1412 HydrophobicContact CZ-CZ 3.94Å |
| 1371 | T | 68.1 | Low | 65 | Low | 13 Ų | 13 | 47.8 Ų | 47.8 | 8% | 0.08 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 177.8 | -51.5 | 0 | 0 | 0 | 0 | 112.6 | S1311 C1315 L1368 C1375 | S1311-T1371 PolarHBondContact OG-OG1 3.02Å; C1315-T1371 VanDerWaalsContact SG-CG2 3.59Å; L1368-T1371 PolarHBondContact O-N 3.42Å; T1371-C1375 WeakPolarHBondContact O-CB 3.37Å; T1371-C1375 PolarHBondContact O-N 3.26Å; T1371-C1375 PolarHBondContact O-SG 2.86Å |
| 1372 | Y | 71.5 | Confident | 66 | Low | 8 Ų | 8 | 44.5 Ų | 44.5 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.3 | -51 | 174.9 | -176.7 | -65.8 | 0 | 0 | 0 | 110.9 | L1355 N1356 M1364 L1368 L1369 F1370 C1375 S1376 F1390 | L1355-Y1372 VanDerWaalsContact C-CE2 3.43Å; L1355-Y1372 HydrophobicContact CB-CD2 4.04Å; L1355-Y1372 HydrophobicContact CB-CE2 3.65Å; L1355-Y1372 HydrophobicContact CD2-CD2 4.27Å; L1355-Y1372 WeakPolarHBondContact O-CE2 3.21Å; N1356-Y1372 VanDerWaalsContact CA-OH 3.24Å; N1356-Y1372 WeakPolarHBondContact CA-OH 3.47Å; N1356-Y1372 WeakPolarHBondContact CB-OH 3.44Å; N1356-Y1372 PolarHBondContact N-OH 2.93Å; M1364-Y1372 HydrophobicContact CE-CD2 3.91Å; M1364-Y1372 HydrophobicContact CE-CE2 3.81Å; M1364-Y1372 HydrophobicContact CG-CD2 4.48Å; M1364-Y1372 HydrophobicContact SD-CD1 4.25Å; M1364-Y1372 HydrophobicContact SD-CD2 3.24Å; M1364-Y1372 WeakPolarHBondContact SD-CD2 3.5Å; M1364-Y1372 HydrophobicContact SD-CE2 3.8Å; M1364-Y1372 HydrophobicContact SD-CG 3.51Å; M1364-Y1372 VanDerWaalsContact SD-CG 3.51Å; L1368-Y1372 WeakPolarHBondContact O-CB 3.47Å; L1368-Y1372 PolarHBondContact O-N 3.22Å; L1369-Y1372 WeakPolarHBondContact O-CB 3.24Å; L1369-Y1372 PolarHBondContact O-N 3.46Å; F1370-Y1372 VanDerWaalsContact C-N 3.33Å; F1370-Y1372 PolarHBondContact O-N 2.91Å; Y1372-C1375 PolarHBondContact O-N 3.27Å; Y1372-S1376 VanDerWaalsContact CD1-OG 3.31Å; Y1372-S1376 WeakPolarHBondContact CD1-OG 3.44Å; Y1372-S1376 WeakPolarHBondContact CE1-OG 3.41Å; Y1372-S1376 VanDerWaalsContact O-CB 3.27Å; Y1372-S1376 WeakPolarHBondContact O-CB 3.41Å; Y1372-S1376 PolarHBondContact O-N 2.94Å; Y1372-S1376 PolarHBondContact O-OG 2.93Å; Y1372-F1390 HydrophobicContact CD1-CD1 4.28Å; Y1372-F1390 AromaticContact CD1-CE1 3.49Å; Y1372-F1390 HydrophobicContact CD1-CE1 3.49Å; Y1372-F1390 VanDerWaalsContact CD1-CE1 3.49Å; Y1372-F1390 HydrophobicContact CD1-CE2 4.19Å; Y1372-F1390 AromaticContact CD1-CZ 3.44Å; Y1372-F1390 HydrophobicContact CD1-CZ 3.44Å; Y1372-F1390 VanDerWaalsContact CD1-CZ 3.44Å; Y1372-F1390 AromaticContact CE1-CD1 3.57Å; Y1372-F1390 HydrophobicContact CE1-CD1 3.57Å; Y1372-F1390 AromaticContact CE1-CD2 3.84Å; Y1372-F1390 HydrophobicContact CE1-CD2 3.84Å; Y1372-F1390 AromaticContact CE1-CE1 3.16Å; Y1372-F1390 HydrophobicContact CE1-CE1 3.16Å; Y1372-F1390 AromaticContact CE1-CE2 3.46Å; Y1372-F1390 HydrophobicContact CE1-CE2 3.46Å; Y1372-F1390 VanDerWaalsContact CE1-CE2 3.46Å; Y1372-F1390 AromaticContact CE1-CG 3.89Å; Y1372-F1390 HydrophobicContact CE1-CG 3.89Å; Y1372-F1390 AromaticContact CE1-CZ 3.11Å; Y1372-F1390 HydrophobicContact CE1-CZ 3.11Å; Y1372-F1390 HydrophobicContact CE2-CE2 4.35Å; Y1372-F1390 HydrophobicContact CE2-CZ 4.45Å; Y1372-F1390 HydrophobicContact CG-CZ 4.35Å; Y1372-F1390 AromaticContact CZ-CD2 3.87Å; Y1372-F1390 AromaticContact CZ-CE2 3.55Å; Y1372-F1390 AromaticContact CZ-CZ 3.68Å; Y1372-F1390 WeakPolarHBondContact OH-CD2 3.4Å |
| 1373 | I | 67.9 | Low | 67 | Low | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.5 | -46.9 | -175.8 | -65.5 | 164.6 | 0 | 0 | 0 | 109.3 | L1369 F1370 C1375 S1376 I1377 F1390 L1394 I1398 F1402 | L1369-I1373 HydrophobicContact CD1-CD1 3.97Å; L1369-I1373 HydrophobicContact CD1-CG1 4.22Å; L1369-I1373 HydrophobicContact CG-CD1 3.99Å; L1369-I1373 WeakPolarHBondContact O-CD1 3.34Å; L1369-I1373 VanDerWaalsContact O-CG1 3.23Å; L1369-I1373 WeakPolarHBondContact O-CG1 3.39Å; L1369-I1373 PolarHBondContact O-N 3.29Å; F1370-I1373 PolarHBondContact O-N 3.07Å; I1373-C1375 PolarHBondContact O-N 2.89Å; I1373-S1376 PolarHBondContact O-N 3.44Å; I1373-I1377 HydrophobicContact CG2-CD1 3.6Å; I1373-I1377 HydrophobicContact CG2-CG1 4.27Å; I1373-I1377 WeakPolarHBondContact O-CG1 3.31Å; I1373-I1377 PolarHBondContact O-N 3.17Å; I1373-F1390 HydrophobicContact CG1-CE1 4.31Å; I1373-L1394 HydrophobicContact CD1-CD1 3.68Å; I1373-L1394 HydrophobicContact CG1-CD1 3.85Å; I1373-I1398 HydrophobicContact CD1-CG2 4.08Å; I1373-F1402 HydrophobicContact CB-CD2 3.92Å; I1373-F1402 HydrophobicContact CB-CE2 3.73Å; I1373-F1402 HydrophobicContact CB-CG 4.42Å; I1373-F1402 HydrophobicContact CB-CZ 4.06Å; I1373-F1402 HydrophobicContact CD1-CB 4.46Å; I1373-F1402 HydrophobicContact CD1-CD2 4.16Å; I1373-F1402 HydrophobicContact CD1-CG 4.32Å; I1373-F1402 HydrophobicContact CG2-CD1 3.73Å; I1373-F1402 HydrophobicContact CG2-CD2 3.83Å; I1373-F1402 HydrophobicContact CG2-CE1 3.52Å; I1373-F1402 HydrophobicContact CG2-CE2 3.65Å; I1373-F1402 HydrophobicContact CG2-CG 3.9Å; I1373-F1402 HydrophobicContact CG2-CZ 3.5Å |
| 1374 | T | 69.4 | Low | 67.8 | Low | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.8 | -50.5 | 173.6 | -71 | 0 | 0 | 0 | 0 | 112.5 | F1370 S1376 R1378 F1402 F1412 | F1370-T1374 WeakPolarHBondContact O-CB 3.48Å; F1370-T1374 PolarHBondContact O-N 3.16Å; F1370-T1374 PolarHBondContact O-OG1 3.48Å; T1374-S1376 VanDerWaalsContact C-N 3.3Å; T1374-S1376 PolarHBondContact O-N 3.19Å; T1374-R1378 WeakPolarHBondContact O-CB 3.31Å; T1374-R1378 VanDerWaalsContact O-CG 3.25Å; T1374-R1378 WeakPolarHBondContact O-CG 3.44Å; T1374-R1378 PolarHBondContact O-N 2.77Å; T1374-F1402 WeakPolarHBondContact OG1-CE2 3.35Å; T1374-F1402 WeakPolarHBondContact OG1-CZ 3.37Å; T1374-F1412 HydrophobicContact CG2-CD1 3.76Å; T1374-F1412 HydrophobicContact CG2-CE1 4.29Å |
| 1375 | C | 74.7 | Confident | 68.7 | Low | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -37.7 | 178.3 | -66.4 | 0 | 0 | 0 | 0 | 111.8 | L1355 T1371 Y1372 I1373 L1379 | L1355-C1375 HydrophobicContact CD1-CB 4.04Å; T1371-C1375 WeakPolarHBondContact O-CB 3.37Å; T1371-C1375 PolarHBondContact O-N 3.26Å; T1371-C1375 PolarHBondContact O-SG 2.86Å; Y1372-C1375 PolarHBondContact O-N 3.27Å; I1373-C1375 PolarHBondContact O-N 2.89Å; C1375-L1379 WeakPolarHBondContact O-CB 3.3Å; C1375-L1379 WeakPolarHBondContact O-CD1 3.41Å; C1375-L1379 WeakPolarHBondContact O-CG 3.28Å; C1375-L1379 PolarHBondContact O-N 3.22Å; C1375-L1379 VanDerWaalsContact O-N 3.17Å |
| 1376 | S | 73.3 | Confident | 69.5 | Low | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69 | -48.5 | -179.9 | -61.7 | 0 | 0 | 0 | 0 | 112 | Y1372 I1373 T1374 R1378 L1379 I1380 I1387 | Y1372-S1376 VanDerWaalsContact CD1-OG 3.31Å; Y1372-S1376 WeakPolarHBondContact CD1-OG 3.44Å; Y1372-S1376 WeakPolarHBondContact CE1-OG 3.41Å; Y1372-S1376 VanDerWaalsContact O-CB 3.27Å; Y1372-S1376 WeakPolarHBondContact O-CB 3.41Å; Y1372-S1376 PolarHBondContact O-N 2.94Å; Y1372-S1376 PolarHBondContact O-OG 2.93Å; I1373-S1376 PolarHBondContact O-N 3.44Å; T1374-S1376 VanDerWaalsContact C-N 3.3Å; T1374-S1376 PolarHBondContact O-N 3.19Å; S1376-R1378 VanDerWaalsContact C-N 3.35Å; S1376-R1378 PolarHBondContact O-N 3.01Å; S1376-L1379 CarbonylContact O-C 3.58Å; S1376-L1379 PolarHBondContact O-N 3.03Å; S1376-L1379 VanDerWaalsContact O-N 3.09Å; S1376-I1380 PolarHBondContact O-N 3.17Å; S1376-I1387 WeakPolarHBondContact O-CD1 3.47Å |
| 1377 | I | 69.9 | Low | 69.8 | Low | 18 Ų | 18 | 35.4 Ų | 35.4 | 9% | 0.092 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | 176.4 | -68.7 | 168.4 | 0 | 0 | 0 | 110 | I1373 L1379 I1380 I1391 F1402 L1481 | I1373-I1377 HydrophobicContact CG2-CD1 3.6Å; I1373-I1377 HydrophobicContact CG2-CG1 4.27Å; I1373-I1377 WeakPolarHBondContact O-CG1 3.31Å; I1373-I1377 PolarHBondContact O-N 3.17Å; I1377-L1379 PolarHBondContact O-N 3.2Å; I1377-L1379 VanDerWaalsContact O-N 3.1Å; I1377-I1380 VanDerWaalsContact O-CB 3.28Å; I1377-I1380 WeakPolarHBondContact O-CB 3.3Å; I1377-I1380 VanDerWaalsContact O-CG2 3.29Å; I1377-I1380 WeakPolarHBondContact O-CG2 3.15Å; I1377-I1380 PolarHBondContact O-N 3.13Å; I1377-I1391 HydrophobicContact CG1-CD1 4.09Å; I1377-F1402 HydrophobicContact CD1-CE1 3.65Å; I1377-F1402 HydrophobicContact CD1-CZ 4.08Å; I1377-L1481 HydrophobicContact CD1-CD1 4.2Å; I1377-L1481 HydrophobicContact CG2-CB 4.16Å; I1377-L1481 WeakPolarHBondContact CG2-O 3.45Å |
| 1378 | R | 73.3 | Confident | 70 | Confident | 61 Ų | 61 | 33.8 Ų | 33.8 | 23% | 0.23 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.9 | -14 | 179.5 | -65.8 | -177.2 | 70.1 | -137.1 | -7.9 | 113.7 | T1318 D1319 I1322 T1374 S1376 F1412 | T1318-R1378 HydrophobicContact CG2-CB 4.04Å; D1319-R1378 IonicContact OD1-CZ 2.73Å; D1319-R1378 IonicContact OD1-NH1 3.24Å; D1319-R1378 PolarHBondContact OD1-NH1 3.41Å; D1319-R1378 IonicContact OD1-NH2 3.64Å; D1319-R1378 PolarHBondContact OD1-NH2 3.18Å; I1322-R1378 HydrophobicContact CD1-CB 3.74Å; I1322-R1378 WeakPolarHBondContact CD1-O 3.47Å; T1374-R1378 WeakPolarHBondContact O-CB 3.31Å; T1374-R1378 VanDerWaalsContact O-CG 3.25Å; T1374-R1378 WeakPolarHBondContact O-CG 3.44Å; T1374-R1378 PolarHBondContact O-N 2.77Å; S1376-R1378 VanDerWaalsContact C-N 3.35Å; S1376-R1378 PolarHBondContact O-N 3.01Å; R1378-F1412 PolarHBondContact NH1-O 2.89Å |
| 1379 | L | 76.5 | Confident | 70.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 13.4 | 174.1 | -65.3 | 170.7 | 0 | 0 | 0 | 113.9 | T1318 I1321 I1322 L1351 C1375 S1376 I1377 A1381 F1382 I1387 | T1318-L1379 HydrophobicContact CG2-CD1 4.27Å; T1318-L1379 HydrophobicContact CG2-CD2 4.13Å; T1318-L1379 HydrophobicContact CG2-CG 3.93Å; I1321-L1379 HydrophobicContact CG2-CD2 4.01Å; I1322-L1379 HydrophobicContact CG1-CD2 4.44Å; L1351-L1379 HydrophobicContact CD2-CD1 3.72Å; L1351-L1379 HydrophobicContact CG-CD1 4.16Å; C1375-L1379 WeakPolarHBondContact O-CB 3.3Å; C1375-L1379 WeakPolarHBondContact O-CD1 3.41Å; C1375-L1379 WeakPolarHBondContact O-CG 3.28Å; C1375-L1379 PolarHBondContact O-N 3.22Å; C1375-L1379 VanDerWaalsContact O-N 3.17Å; S1376-L1379 CarbonylContact O-C 3.58Å; S1376-L1379 PolarHBondContact O-N 3.03Å; S1376-L1379 VanDerWaalsContact O-N 3.09Å; I1377-L1379 PolarHBondContact O-N 3.2Å; I1377-L1379 VanDerWaalsContact O-N 3.1Å; L1379-A1381 PolarHBondContact O-N 3.31Å; L1379-A1381 VanDerWaalsContact O-N 3.08Å; L1379-F1382 HydrophobicContact CB-CD2 4.11Å; L1379-F1382 HydrophobicContact CD2-CD2 3.66Å; L1379-F1382 HydrophobicContact CD2-CE2 3.58Å; L1379-F1382 HydrophobicContact CD2-CZ 4.38Å; L1379-F1382 WeakPolarHBondContact O-CB 3.41Å; L1379-F1382 WeakPolarHBondContact O-CD2 3.39Å; L1379-F1382 PolarHBondContact O-N 3.35Å; L1379-I1387 HydrophobicContact CB-CD1 4.48Å; L1379-I1387 WeakPolarHBondContact O-CD1 3.4Å |
| 1380 | I | 69.6 | Low | 70 | Confident | 42 Ų | 42 | 39.2 Ų | 39.2 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -30.3 | -178.3 | -163.5 | 166.5 | 0 | 0 | 0 | 114.2 | S1376 I1377 F1382 P1384 I1387 L1478 | S1376-I1380 PolarHBondContact O-N 3.17Å; I1377-I1380 VanDerWaalsContact O-CB 3.28Å; I1377-I1380 WeakPolarHBondContact O-CB 3.3Å; I1377-I1380 VanDerWaalsContact O-CG2 3.29Å; I1377-I1380 WeakPolarHBondContact O-CG2 3.15Å; I1377-I1380 PolarHBondContact O-N 3.13Å; I1380-F1382 PolarHBondContact O-N 2.9Å; I1380-P1384 HydrophobicContact CG1-CB 4.15Å; I1380-P1384 WeakPolarHBondContact O-CA 3.4Å; I1380-P1384 WeakPolarHBondContact O-CB 3.35Å; I1380-P1384 VanDerWaalsContact O-CD 3.27Å; I1380-P1384 WeakPolarHBondContact O-CD 3.22Å; I1380-I1387 HydrophobicContact CB-CD1 4.48Å; I1380-I1387 HydrophobicContact CD1-CG2 4.48Å; I1380-I1387 HydrophobicContact CG1-CG2 4.28Å; I1380-L1478 HydrophobicContact CD1-CD2 4.23Å |
| 1381 | A | 67.8 | Low | 70 | Confident | 88 Ų | 88 | 39.1 Ų | 39.1 | 73% | 0.727 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1379 | L1379-A1381 PolarHBondContact O-N 3.31Å; L1379-A1381 VanDerWaalsContact O-N 3.08Å |
| 1382 | F | 75.5 | Confident | 69.7 | Low | 20 Ų | 20 | 41.3 Ų | 41.3 | 9% | 0.088 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -42.9 | -178.1 | -67.7 | -96.7 | 0 | 0 | 0 | 112.4 | I1321 S1325 L1344 F1345 L1379 I1380 | I1321-F1382 HydrophobicContact CG2-CE1 3.79Å; I1321-F1382 HydrophobicContact CG2-CE2 3.91Å; I1321-F1382 HydrophobicContact CG2-CZ 3.27Å; S1325-F1382 WeakPolarHBondContact OG-CZ 3.27Å; L1344-F1382 HydrophobicContact CD2-CE1 4.25Å; L1344-F1382 HydrophobicContact CD2-CZ 4.32Å; F1345-F1382 AromaticContact CD2-CD1 3.8Å; F1345-F1382 HydrophobicContact CD2-CD1 3.8Å; F1345-F1382 HydrophobicContact CD2-CE1 4.37Å; F1345-F1382 HydrophobicContact CE2-CB 4.5Å; F1345-F1382 HydrophobicContact CE2-CD1 4.32Å; F1345-F1382 WeakPolarHBondContact CE2-O 3.5Å; F1345-F1382 HydrophobicContact CG-CD1 4.46Å; F1345-F1382 VanDerWaalsContact CZ-O 3.3Å; F1345-F1382 WeakPolarHBondContact CZ-O 3.45Å; L1379-F1382 HydrophobicContact CB-CD2 4.11Å; L1379-F1382 HydrophobicContact CD2-CD2 3.66Å; L1379-F1382 HydrophobicContact CD2-CE2 3.58Å; L1379-F1382 HydrophobicContact CD2-CZ 4.38Å; L1379-F1382 WeakPolarHBondContact O-CB 3.41Å; L1379-F1382 WeakPolarHBondContact O-CD2 3.39Å; L1379-F1382 PolarHBondContact O-N 3.35Å; I1380-F1382 PolarHBondContact O-N 2.9Å |
| 1383 | N | 73.9 | Confident | 69.5 | Low | 45 Ų | 45 | 49 Ų | 49 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | trans | -153 | 81 | 175.8 | -171.5 | -17.4 | 0 | 0 | 0 | 111.1 | N1349 L1352 K1385 L1386 I1387 | N1349-N1383 WeakPolarHBondContact OD1-CB 3.43Å; L1352-N1383 HydrophobicContact CD2-CB 3.73Å; N1383-K1385 PolarHBondContact O-N 3Å; N1383-K1385 PolarHBondContact OD1-N 2.85Å; N1383-L1386 HydrophobicContact CB-CB 4.28Å; N1383-L1386 PolarHBondContact O-N 3.03Å; N1383-L1386 WeakPolarHBondContact OD1-CB 3.2Å; N1383-L1386 PolarHBondContact OD1-N 2.9Å; N1383-I1387 PolarHBondContact O-N 3.48Å | ||
| 1384 | P | 69.4 | Low | 69.4 | Low | 62 Ų | 62 | 49.9 Ų | 49.9 | 40% | 0.403 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.7 | -30.3 | -176.6 | 24.3 | -32.9 | 0 | 0 | 0 | 111.9 | I1380 I1387 I1388 | I1380-P1384 HydrophobicContact CG1-CB 4.15Å; I1380-P1384 WeakPolarHBondContact O-CA 3.4Å; I1380-P1384 WeakPolarHBondContact O-CB 3.35Å; I1380-P1384 VanDerWaalsContact O-CD 3.27Å; I1380-P1384 WeakPolarHBondContact O-CD 3.22Å; P1384-I1387 PolarHBondContact O-N 2.97Å; P1384-I1388 HydrophobicContact CB-CD1 4.46Å; P1384-I1388 WeakPolarHBondContact O-CB 3.42Å; P1384-I1388 WeakPolarHBondContact O-CD1 3.39Å; P1384-I1388 WeakPolarHBondContact O-CG1 3.29Å; P1384-I1388 PolarHBondContact O-N 3.15Å |
| 1385 | K | 70.4 | Confident | 69.3 | Low | 166 Ų | 166 | 53.1 Ų | 53.1 | 72% | 0.722 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.9 | -48.4 | 178.3 | -68.3 | -172.1 | 176.7 | -174.5 | 0 | 111.9 | N1383 I1387 Q1389 | N1383-K1385 PolarHBondContact O-N 3Å; N1383-K1385 PolarHBondContact OD1-N 2.85Å; K1385-I1387 VanDerWaalsContact C-N 3.35Å; K1385-Q1389 VanDerWaalsContact O-CB 3.31Å; K1385-Q1389 WeakPolarHBondContact O-CB 3.37Å; K1385-Q1389 VanDerWaalsContact O-CG 3.23Å; K1385-Q1389 WeakPolarHBondContact O-CG 3.37Å; K1385-Q1389 PolarHBondContact O-N 2.99Å |
| 1386 | L | 70.2 | Confident | 68.6 | Low | 20 Ų | 20 | 55.1 Ų | 55.1 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -40 | 179.1 | -172.1 | 166.7 | 0 | 0 | 0 | 111.2 | L1352 N1353 N1356 N1383 Q1389 F1390 | L1352-L1386 HydrophobicContact CD1-CD2 4Å; L1352-L1386 HydrophobicContact CD2-CB 4.28Å; L1352-L1386 HydrophobicContact CD2-CD1 4.07Å; L1352-L1386 HydrophobicContact CD2-CD2 3.91Å; L1352-L1386 HydrophobicContact CD2-CG 4.32Å; L1352-L1386 HydrophobicContact CG-CD1 4.18Å; L1352-L1386 HydrophobicContact CG-CD2 3.74Å; N1353-L1386 WeakPolarHBondContact OD1-CD1 3.35Å; N1356-L1386 HydrophobicContact CB-CD2 4.17Å; N1356-L1386 VanDerWaalsContact ND2-CD2 3.26Å; N1356-L1386 WeakPolarHBondContact ND2-CD2 3.18Å; N1383-L1386 HydrophobicContact CB-CB 4.28Å; N1383-L1386 PolarHBondContact O-N 3.03Å; N1383-L1386 WeakPolarHBondContact OD1-CB 3.2Å; N1383-L1386 PolarHBondContact OD1-N 2.9Å; L1386-Q1389 PolarHBondContact O-N 2.85Å; L1386-F1390 WeakPolarHBondContact O-CB 3.24Å; L1386-F1390 PolarHBondContact O-N 3.09Å |
| 1387 | I | 65.8 | Low | 68.1 | Low | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.9 | -42 | -178.1 | -71.8 | 156.6 | 0 | 0 | 0 | 111.8 | L1352 S1376 L1379 I1380 N1383 P1384 K1385 F1390 I1391 | L1352-I1387 HydrophobicContact CD1-CD1 3.86Å; L1352-I1387 HydrophobicContact CD1-CG1 3.63Å; L1352-I1387 HydrophobicContact CD2-CD1 3.66Å; L1352-I1387 HydrophobicContact CD2-CG1 3.83Å; L1352-I1387 HydrophobicContact CG-CD1 4.41Å; L1352-I1387 HydrophobicContact CG-CG1 4.35Å; S1376-I1387 WeakPolarHBondContact O-CD1 3.47Å; L1379-I1387 HydrophobicContact CB-CD1 4.48Å; L1379-I1387 WeakPolarHBondContact O-CD1 3.4Å; I1380-I1387 HydrophobicContact CB-CD1 4.48Å; I1380-I1387 HydrophobicContact CD1-CG2 4.48Å; I1380-I1387 HydrophobicContact CG1-CG2 4.28Å; N1383-I1387 PolarHBondContact O-N 3.48Å; P1384-I1387 PolarHBondContact O-N 2.97Å; K1385-I1387 VanDerWaalsContact C-N 3.35Å; I1387-F1390 PolarHBondContact O-N 3.45Å; I1387-F1390 VanDerWaalsContact O-N 3.14Å; I1387-I1391 HydrophobicContact CG2-CD1 3.74Å; I1387-I1391 HydrophobicContact CG2-CG1 4.43Å; I1387-I1391 WeakPolarHBondContact O-CG1 3.4Å; I1387-I1391 PolarHBondContact O-N 3.24Å |
| 1388 | I | 63.8 | Low | 67.9 | Low | 91 Ų | 91 | 62.9 Ų | 62.9 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 172.5 | -67.4 | 164.6 | 0 | 0 | 0 | 110.5 | P1384 F1390 I1391 G1392 L1478 | P1384-I1388 HydrophobicContact CB-CD1 4.46Å; P1384-I1388 WeakPolarHBondContact O-CB 3.42Å; P1384-I1388 WeakPolarHBondContact O-CD1 3.39Å; P1384-I1388 WeakPolarHBondContact O-CG1 3.29Å; P1384-I1388 PolarHBondContact O-N 3.15Å; I1388-F1390 PolarHBondContact O-N 3.47Å; I1388-I1391 PolarHBondContact O-N 3.48Å; I1388-G1392 PolarHBondContact O-N 3.36Å; I1388-L1478 HydrophobicContact CG1-CD1 4.26Å |
| 1389 | Q | 66.4 | Low | 67.4 | Low | 130 Ų | 130 | 61.1 Ų | 61.1 | 61% | 0.607 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.3 | -20.5 | 174.4 | -76.2 | 179.8 | -4.2 | 0 | 0 | 114.3 | K1385 L1386 K1393 | K1385-Q1389 VanDerWaalsContact O-CB 3.31Å; K1385-Q1389 WeakPolarHBondContact O-CB 3.37Å; K1385-Q1389 VanDerWaalsContact O-CG 3.23Å; K1385-Q1389 WeakPolarHBondContact O-CG 3.37Å; K1385-Q1389 PolarHBondContact O-N 2.99Å; L1386-Q1389 PolarHBondContact O-N 2.85Å; Q1389-K1393 VanDerWaalsContact O-CD 3.28Å; Q1389-K1393 WeakPolarHBondContact O-CD 3.3Å; Q1389-K1393 VanDerWaalsContact O-CG 3.27Å; Q1389-K1393 WeakPolarHBondContact O-CG 3.39Å |
| 1390 | F | 66.9 | Low | 66.7 | Low | 17 Ų | 17 | 62.5 Ų | 62.5 | 8% | 0.075 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -84.7 | -49.8 | 173.6 | 172.9 | -93.9 | 0 | 0 | 0 | 111.3 | M1364 Y1372 I1373 L1386 I1387 I1388 G1392 K1393 L1394 | M1364-F1390 HydrophobicContact CE-CE2 4.21Å; M1364-F1390 HydrophobicContact CE-CZ 4.44Å; Y1372-F1390 HydrophobicContact CD1-CD1 4.28Å; Y1372-F1390 AromaticContact CD1-CE1 3.49Å; Y1372-F1390 HydrophobicContact CD1-CE1 3.49Å; Y1372-F1390 VanDerWaalsContact CD1-CE1 3.49Å; Y1372-F1390 HydrophobicContact CD1-CE2 4.19Å; Y1372-F1390 AromaticContact CD1-CZ 3.44Å; Y1372-F1390 HydrophobicContact CD1-CZ 3.44Å; Y1372-F1390 VanDerWaalsContact CD1-CZ 3.44Å; Y1372-F1390 AromaticContact CE1-CD1 3.57Å; Y1372-F1390 HydrophobicContact CE1-CD1 3.57Å; Y1372-F1390 AromaticContact CE1-CD2 3.84Å; Y1372-F1390 HydrophobicContact CE1-CD2 3.84Å; Y1372-F1390 AromaticContact CE1-CE1 3.16Å; Y1372-F1390 HydrophobicContact CE1-CE1 3.16Å; Y1372-F1390 AromaticContact CE1-CE2 3.46Å; Y1372-F1390 HydrophobicContact CE1-CE2 3.46Å; Y1372-F1390 VanDerWaalsContact CE1-CE2 3.46Å; Y1372-F1390 AromaticContact CE1-CG 3.89Å; Y1372-F1390 HydrophobicContact CE1-CG 3.89Å; Y1372-F1390 AromaticContact CE1-CZ 3.11Å; Y1372-F1390 HydrophobicContact CE1-CZ 3.11Å; Y1372-F1390 HydrophobicContact CE2-CE2 4.35Å; Y1372-F1390 HydrophobicContact CE2-CZ 4.45Å; Y1372-F1390 HydrophobicContact CG-CZ 4.35Å; Y1372-F1390 AromaticContact CZ-CD2 3.87Å; Y1372-F1390 AromaticContact CZ-CE2 3.55Å; Y1372-F1390 AromaticContact CZ-CZ 3.68Å; Y1372-F1390 WeakPolarHBondContact OH-CD2 3.4Å; I1373-F1390 HydrophobicContact CG1-CE1 4.31Å; L1386-F1390 WeakPolarHBondContact O-CB 3.24Å; L1386-F1390 PolarHBondContact O-N 3.09Å; I1387-F1390 PolarHBondContact O-N 3.45Å; I1387-F1390 VanDerWaalsContact O-N 3.14Å; I1388-F1390 PolarHBondContact O-N 3.47Å; F1390-G1392 VanDerWaalsContact C-N 3.32Å; F1390-G1392 PolarHBondContact O-N 2.91Å; F1390-K1393 WeakPolarHBondContact O-CA 3.49Å; F1390-K1393 WeakPolarHBondContact O-CB 3.48Å; F1390-K1393 PolarHBondContact O-N 3.16Å; F1390-L1394 HydrophobicContact CD1-CD1 4.43Å; F1390-L1394 HydrophobicContact CE1-CD1 3.7Å; F1390-L1394 HydrophobicContact CE1-CD2 4.18Å; F1390-L1394 HydrophobicContact CE1-CG 3.97Å; F1390-L1394 HydrophobicContact CZ-CD1 4.19Å; F1390-L1394 HydrophobicContact CZ-CD2 3.81Å; F1390-L1394 HydrophobicContact CZ-CG 4.1Å; F1390-L1394 PolarHBondContact O-N 3.45Å |
| 1391 | I | 66.2 | Low | 66.4 | Low | 25 Ų | 25 | 66 Ų | 66 | 13% | 0.128 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | -179.4 | -66.7 | 171.4 | 0 | 0 | 0 | 110.2 | I1377 I1387 I1388 K1393 L1394 I1399 L1478 | I1377-I1391 HydrophobicContact CG1-CD1 4.09Å; I1387-I1391 HydrophobicContact CG2-CD1 3.74Å; I1387-I1391 HydrophobicContact CG2-CG1 4.43Å; I1387-I1391 WeakPolarHBondContact O-CG1 3.4Å; I1387-I1391 PolarHBondContact O-N 3.24Å; I1388-I1391 PolarHBondContact O-N 3.48Å; I1391-K1393 PolarHBondContact O-N 3.05Å; I1391-L1394 PolarHBondContact O-N 2.98Å; I1391-L1394 VanDerWaalsContact O-N 3.09Å; I1391-I1399 HydrophobicContact CG2-CD1 4.17Å; I1391-L1478 HydrophobicContact CD1-CD2 3.72Å |
| 1392 | G | 61.8 | Low | 66.2 | Low | 59 Ų | 59 | 62.2 Ų | 62.2 | 61% | 0.608 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 3.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1388 F1390 | I1388-G1392 PolarHBondContact O-N 3.36Å; F1390-G1392 VanDerWaalsContact C-N 3.32Å; F1390-G1392 PolarHBondContact O-N 2.91Å |
| 1393 | K | 66.3 | Low | 65.5 | Low | 171 Ų | 171 | 62 Ų | 62 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | 0.4 | 171.7 | -70.9 | -179.3 | -175.9 | -175.1 | 0 | 113.3 | Q1389 F1390 I1391 | Q1389-K1393 VanDerWaalsContact O-CD 3.28Å; Q1389-K1393 WeakPolarHBondContact O-CD 3.3Å; Q1389-K1393 VanDerWaalsContact O-CG 3.27Å; Q1389-K1393 WeakPolarHBondContact O-CG 3.39Å; F1390-K1393 WeakPolarHBondContact O-CA 3.49Å; F1390-K1393 WeakPolarHBondContact O-CB 3.48Å; F1390-K1393 PolarHBondContact O-N 3.16Å; I1391-K1393 PolarHBondContact O-N 3.05Å |
| 1394 | L | 67.1 | Low | 64.7 | Low | 25 Ų | 25 | 65.2 Ų | 65.2 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -82.4 | 137.7 | 170.5 | -70.8 | 176.1 | 0 | 0 | 0 | 109.9 | L1369 I1373 F1390 I1391 I1399 | L1369-L1394 HydrophobicContact CD1-CD2 4.16Å; I1373-L1394 HydrophobicContact CD1-CD1 3.68Å; I1373-L1394 HydrophobicContact CG1-CD1 3.85Å; F1390-L1394 HydrophobicContact CD1-CD1 4.43Å; F1390-L1394 HydrophobicContact CE1-CD1 3.7Å; F1390-L1394 HydrophobicContact CE1-CD2 4.18Å; F1390-L1394 HydrophobicContact CE1-CG 3.97Å; F1390-L1394 HydrophobicContact CZ-CD1 4.19Å; F1390-L1394 HydrophobicContact CZ-CD2 3.81Å; F1390-L1394 HydrophobicContact CZ-CG 4.1Å; F1390-L1394 PolarHBondContact O-N 3.45Å; I1391-L1394 PolarHBondContact O-N 2.98Å; I1391-L1394 VanDerWaalsContact O-N 3.09Å; L1394-I1399 HydrophobicContact CB-CD1 4.18Å; L1394-I1399 HydrophobicContact CB-CG1 4.04Å; L1394-I1399 HydrophobicContact CD1-CG1 4.36Å |
| 1395 | P | 65.8 | Low | 64.2 | Low | 73 Ų | 73 | 67 Ų | 67 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | trans | -55.4 | 138.5 | 165.7 | -23.2 | 32.7 | 0 | 0 | 0 | 111.2 | E1397 I1398 I1399 | P1395-E1397 PolarHBondContact O-N 2.94Å; P1395-I1398 HydrophobicContact CB-CD1 4.48Å; P1395-I1398 HydrophobicContact CB-CG1 4.29Å; P1395-I1398 HydrophobicContact CG-CD1 4.12Å; P1395-I1398 HydrophobicContact CG-CG1 4.46Å; P1395-I1398 WeakPolarHBondContact O-CB 3.45Å; P1395-I1398 PolarHBondContact O-N 3.48Å; P1395-I1399 PolarHBondContact O-N 3.26Å | ||
| 1396 | L | 60.3 | Low | 63.4 | Low | 43 Ų | 43 | 61.2 Ų | 61.2 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.6 | -37.9 | -176.4 | -168.6 | 70.7 | 0 | 0 | 0 | 112.1 | I1398 I1399 V1400 I1449 V1452 Y1470 | L1396-I1398 PolarHBondContact O-N 2.89Å; L1396-I1399 WeakPolarHBondContact O-CB 3.36Å; L1396-I1399 PolarHBondContact O-N 3.32Å; L1396-V1400 HydrophobicContact CG-CG2 4.49Å; L1396-V1400 WeakPolarHBondContact O-CG2 3.3Å; L1396-V1400 PolarHBondContact O-N 3.08Å; L1396-I1449 HydrophobicContact CD2-CG1 3.91Å; L1396-V1452 HydrophobicContact CD2-CB 4.41Å; L1396-V1452 HydrophobicContact CD2-CG2 4.26Å; L1396-Y1470 HydrophobicContact CD1-CE2 4.45Å |
| 1397 | E | 63.7 | Low | 62.2 | Low | 136 Ų | 136 | 66 Ų | 66 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -53.4 | -35.7 | 175.1 | -60.5 | 176.6 | -162.8 | 0 | 0 | 113.9 | P1395 K1401 | P1395-E1397 PolarHBondContact O-N 2.94Å; E1397-K1401 WeakPolarHBondContact O-CB 3.21Å; E1397-K1401 VanDerWaalsContact O-CG 3.3Å; E1397-K1401 WeakPolarHBondContact O-CG 3.4Å; E1397-K1401 PolarHBondContact O-N 3.31Å |
| 1398 | I | 66.1 | Low | 61 | Low | 46 Ų | 46 | 72.8 Ų | 72.8 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -74.6 | -37.7 | 179.4 | -59.5 | -170.4 | 0 | 0 | 0 | 109.8 | L1369 I1373 P1395 L1396 F1402 | L1369-I1398 HydrophobicContact CD2-CD1 3.82Å; L1369-I1398 HydrophobicContact CD2-CG2 3.57Å; L1369-I1398 HydrophobicContact CG-CG2 4.04Å; I1373-I1398 HydrophobicContact CD1-CG2 4.08Å; P1395-I1398 HydrophobicContact CB-CD1 4.48Å; P1395-I1398 HydrophobicContact CB-CG1 4.29Å; P1395-I1398 HydrophobicContact CG-CD1 4.12Å; P1395-I1398 HydrophobicContact CG-CG1 4.46Å; P1395-I1398 WeakPolarHBondContact O-CB 3.45Å; P1395-I1398 PolarHBondContact O-N 3.48Å; L1396-I1398 PolarHBondContact O-N 2.89Å; I1398-F1402 WeakPolarHBondContact O-CB 3.4Å; I1398-F1402 PolarHBondContact O-N 3.45Å |
| 1399 | I | 61.8 | Low | 59.8 | Low | 25 Ų | 25 | 75.9 Ų | 75.9 | 13% | 0.128 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 175.7 | -57.2 | 175.2 | 0 | 0 | 0 | 110.1 | I1391 L1394 P1395 L1396 F1402 I1403 | I1391-I1399 HydrophobicContact CG2-CD1 4.17Å; L1394-I1399 HydrophobicContact CB-CD1 4.18Å; L1394-I1399 HydrophobicContact CB-CG1 4.04Å; L1394-I1399 HydrophobicContact CD1-CG1 4.36Å; P1395-I1399 PolarHBondContact O-N 3.26Å; L1396-I1399 WeakPolarHBondContact O-CB 3.36Å; L1396-I1399 PolarHBondContact O-N 3.32Å; I1399-F1402 PolarHBondContact O-N 3.15Å; I1399-I1403 HydrophobicContact CG2-CD1 3.98Å; I1399-I1403 VanDerWaalsContact O-CG1 3.3Å; I1399-I1403 WeakPolarHBondContact O-CG1 3.29Å; I1399-I1403 PolarHBondContact O-N 3.28Å |
| 1400 | V | 61.3 | Low | 58.8 | Low | 28 Ų | 28 | 75.4 Ų | 75.4 | 17% | 0.17 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.6 | -52.2 | 174.9 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | L1396 F1402 I1403 E1404 I1445 I1449 | L1396-V1400 HydrophobicContact CG-CG2 4.49Å; L1396-V1400 WeakPolarHBondContact O-CG2 3.3Å; L1396-V1400 PolarHBondContact O-N 3.08Å; V1400-F1402 VanDerWaalsContact C-N 3.25Å; V1400-F1402 PolarHBondContact O-N 3.45Å; V1400-I1403 PolarHBondContact O-N 3.38Å; V1400-E1404 HydrophobicContact CG1-CG 4.43Å; V1400-E1404 WeakPolarHBondContact O-CG 3.4Å; V1400-E1404 PolarHBondContact O-N 3.28Å; V1400-I1445 HydrophobicContact CG2-CG2 3.95Å; V1400-I1449 HydrophobicContact CG2-CD1 4.34Å |
| 1401 | K | 64 | Low | 57.9 | Low | 116 Ų | 116 | 79.2 Ų | 79.2 | 50% | 0.504 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.4 | -37.9 | 176.2 | -75.9 | 168.2 | -179.4 | 162.8 | 0 | 112.6 | E1397 E1404 Q1405 | E1397-K1401 WeakPolarHBondContact O-CB 3.21Å; E1397-K1401 VanDerWaalsContact O-CG 3.3Å; E1397-K1401 WeakPolarHBondContact O-CG 3.4Å; E1397-K1401 PolarHBondContact O-N 3.31Å; K1401-E1404 PolarHBondContact O-N 2.82Å; K1401-Q1405 WeakPolarHBondContact O-CB 3.49Å; K1401-Q1405 VanDerWaalsContact O-CG 3.29Å; K1401-Q1405 WeakPolarHBondContact O-CG 3.44Å; K1401-Q1405 PolarHBondContact O-N 3.42Å |
| 1402 | F | 64.1 | Low | 57.3 | Low | 9 Ų | 9 | 81.2 Ų | 81.2 | 4% | 0.039 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 173.8 | 179.2 | -100.4 | 0 | 0 | 0 | 111.5 | F1370 I1373 T1374 I1377 I1398 I1399 V1400 Q1405 I1406 | F1370-F1402 HydrophobicContact CB-CD2 4.48Å; F1370-F1402 HydrophobicContact CD1-CE2 4.45Å; F1370-F1402 AromaticContact CD2-CD2 3.29Å; F1370-F1402 HydrophobicContact CD2-CD2 3.29Å; F1370-F1402 AromaticContact CD2-CE2 3.5Å; F1370-F1402 HydrophobicContact CD2-CE2 3.5Å; F1370-F1402 HydrophobicContact CD2-CG 4.38Å; F1370-F1402 HydrophobicContact CE1-CE2 4.49Å; F1370-F1402 AromaticContact CE2-CD2 3.59Å; F1370-F1402 HydrophobicContact CE2-CD2 3.59Å; F1370-F1402 AromaticContact CE2-CE2 3.53Å; F1370-F1402 HydrophobicContact CE2-CE2 3.53Å; F1370-F1402 HydrophobicContact CE2-CG 4.49Å; F1370-F1402 HydrophobicContact CE2-CZ 4.41Å; F1370-F1402 HydrophobicContact CG-CD2 4.02Å; F1370-F1402 AromaticContact CG-CE2 3.97Å; F1370-F1402 HydrophobicContact CG-CE2 3.97Å; F1370-F1402 HydrophobicContact CZ-CE2 4.05Å; I1373-F1402 HydrophobicContact CB-CD2 3.92Å; I1373-F1402 HydrophobicContact CB-CE2 3.73Å; I1373-F1402 HydrophobicContact CB-CG 4.42Å; I1373-F1402 HydrophobicContact CB-CZ 4.06Å; I1373-F1402 HydrophobicContact CD1-CB 4.46Å; I1373-F1402 HydrophobicContact CD1-CD2 4.16Å; I1373-F1402 HydrophobicContact CD1-CG 4.32Å; I1373-F1402 HydrophobicContact CG2-CD1 3.73Å; I1373-F1402 HydrophobicContact CG2-CD2 3.83Å; I1373-F1402 HydrophobicContact CG2-CE1 3.52Å; I1373-F1402 HydrophobicContact CG2-CE2 3.65Å; I1373-F1402 HydrophobicContact CG2-CG 3.9Å; I1373-F1402 HydrophobicContact CG2-CZ 3.5Å; T1374-F1402 WeakPolarHBondContact OG1-CE2 3.35Å; T1374-F1402 WeakPolarHBondContact OG1-CZ 3.37Å; I1377-F1402 HydrophobicContact CD1-CE1 3.65Å; I1377-F1402 HydrophobicContact CD1-CZ 4.08Å; I1398-F1402 WeakPolarHBondContact O-CB 3.4Å; I1398-F1402 PolarHBondContact O-N 3.45Å; I1399-F1402 PolarHBondContact O-N 3.15Å; V1400-F1402 VanDerWaalsContact C-N 3.25Å; V1400-F1402 PolarHBondContact O-N 3.45Å; F1402-Q1405 PolarHBondContact O-N 3.33Å; F1402-I1406 HydrophobicContact CD1-CD1 3.61Å; F1402-I1406 HydrophobicContact CD1-CG1 4.24Å; F1402-I1406 HydrophobicContact CE1-CD1 3.33Å; F1402-I1406 HydrophobicContact CE1-CG1 3.91Å; F1402-I1406 HydrophobicContact CZ-CD1 4.05Å; F1402-I1406 HydrophobicContact CZ-CG1 4.16Å; F1402-I1406 VanDerWaalsContact O-CG1 3.29Å; F1402-I1406 WeakPolarHBondContact O-CG1 3.35Å; F1402-I1406 PolarHBondContact O-N 3.01Å |
| 1403 | I | 59.5 | Low | 57 | Low | 14 Ų | 14 | 78.7 Ų | 78.7 | 7% | 0.072 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.8 | -35.7 | 177.9 | -67.6 | 167.6 | 0 | 0 | 0 | 112.4 | I1399 V1400 I1406 N1407 L1441 I1445 I1477 | I1399-I1403 HydrophobicContact CG2-CD1 3.98Å; I1399-I1403 VanDerWaalsContact O-CG1 3.3Å; I1399-I1403 WeakPolarHBondContact O-CG1 3.29Å; I1399-I1403 PolarHBondContact O-N 3.28Å; V1400-I1403 PolarHBondContact O-N 3.38Å; I1403-I1406 HydrophobicContact CB-CD1 4.48Å; I1403-I1406 HydrophobicContact CG1-CD1 4.13Å; I1403-I1406 PolarHBondContact O-N 3.31Å; I1403-N1407 PolarHBondContact O-ND2 3.24Å; I1403-L1441 HydrophobicContact CG2-CD2 3.93Å; I1403-I1445 HydrophobicContact CD1-CD1 3.93Å; I1403-I1445 HydrophobicContact CG2-CD1 3.94Å; I1403-I1477 HydrophobicContact CD1-CG2 4.24Å |
| 1404 | E | 58.3 | Low | 56.6 | Low | 114 Ų | 114 | 72 Ų | 72 | 53% | 0.533 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 171.8 | -69.8 | 175.3 | 152.2 | 0 | 0 | 111.1 | V1400 K1401 I1406 N1407 H1408 | V1400-E1404 HydrophobicContact CG1-CG 4.43Å; V1400-E1404 WeakPolarHBondContact O-CG 3.4Å; V1400-E1404 PolarHBondContact O-N 3.28Å; K1401-E1404 PolarHBondContact O-N 2.82Å; E1404-I1406 VanDerWaalsContact C-N 3.34Å; E1404-I1406 PolarHBondContact O-N 2.94Å; E1404-N1407 PolarHBondContact O-N 3.49Å; E1404-H1408 PolarHBondContact O-CD2 3.1Å |
| 1405 | Q | 57.4 | Low | 56 | Low | 100 Ų | 100 | 71 Ų | 71 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.5 | -29.6 | 175.9 | -74.1 | 177.1 | -25.2 | 0 | 0 | 113.6 | F1370 K1401 F1402 N1407 H1408 | F1370-Q1405 HydrophobicContact CD2-CB 3.97Å; F1370-Q1405 HydrophobicContact CE2-CB 3.63Å; K1401-Q1405 WeakPolarHBondContact O-CB 3.49Å; K1401-Q1405 VanDerWaalsContact O-CG 3.29Å; K1401-Q1405 WeakPolarHBondContact O-CG 3.44Å; K1401-Q1405 PolarHBondContact O-N 3.42Å; F1402-Q1405 PolarHBondContact O-N 3.33Å; Q1405-N1407 PolarHBondContact O-N 2.96Å; Q1405-H1408 PolarHBondContact O-N 2.93Å |
| 1406 | I | 54.6 | Low | 55.6 | Low | 43 Ų | 43 | 71.1 Ų | 71.1 | 22% | 0.221 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.1 | -36.1 | 175.7 | -73.7 | 160.1 | 0 | 0 | 0 | 112 | F1402 I1403 E1404 H1408 F1412 L1481 | F1402-I1406 HydrophobicContact CD1-CD1 3.61Å; F1402-I1406 HydrophobicContact CD1-CG1 4.24Å; F1402-I1406 HydrophobicContact CE1-CD1 3.33Å; F1402-I1406 HydrophobicContact CE1-CG1 3.91Å; F1402-I1406 HydrophobicContact CZ-CD1 4.05Å; F1402-I1406 HydrophobicContact CZ-CG1 4.16Å; F1402-I1406 VanDerWaalsContact O-CG1 3.29Å; F1402-I1406 WeakPolarHBondContact O-CG1 3.35Å; F1402-I1406 PolarHBondContact O-N 3.01Å; I1403-I1406 HydrophobicContact CB-CD1 4.48Å; I1403-I1406 HydrophobicContact CG1-CD1 4.13Å; I1403-I1406 PolarHBondContact O-N 3.31Å; E1404-I1406 VanDerWaalsContact C-N 3.34Å; E1404-I1406 PolarHBondContact O-N 2.94Å; I1406-H1408 PolarHBondContact O-N 3.37Å; I1406-F1412 HydrophobicContact CB-CZ 3.98Å; I1406-F1412 HydrophobicContact CG1-CE1 4.11Å; I1406-F1412 HydrophobicContact CG1-CZ 3.67Å; I1406-F1412 HydrophobicContact CG2-CE2 4.26Å; I1406-F1412 HydrophobicContact CG2-CZ 3.87Å; I1406-L1481 HydrophobicContact CD1-CD2 3.75Å |
| 1407 | N | 44.9 | Very low | 55 | Low | 121 Ų | 121 | 71 Ų | 71 | 65% | 0.647 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -8.7 | -179.6 | -63.7 | -46.7 | 0 | 0 | 0 | 113.8 | I1403 E1404 Q1405 | I1403-N1407 PolarHBondContact O-ND2 3.24Å; E1404-N1407 PolarHBondContact O-N 3.49Å; Q1405-N1407 PolarHBondContact O-N 2.96Å |
| 1408 | H | 40.9 | Very low | 53.6 | Low | 143 Ų | 143 | 68 Ų | 68 | 66% | 0.662 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 36.5 | -172.8 | -70.3 | -58.9 | 0 | 0 | 0 | 114.5 | E1404 Q1405 I1406 E1410 | E1404-H1408 PolarHBondContact O-CD2 3.1Å; Q1405-H1408 PolarHBondContact O-N 2.93Å; I1406-H1408 PolarHBondContact O-N 3.37Å; H1408-E1410 PolarHBondContact O-N 3.43Å |
| 1409 | N | 38.9 | Very low | 51.8 | Low | 156 Ų | 156 | 70.5 Ų | 70.5 | 83% | 0.834 | 36% | 0.36 | S | S | * | . | trans | 57.8 | 7.7 | 166.7 | -78.6 | -14.6 | 0 | 0 | 0 | 117.8 | L1411 | N1409-L1411 PolarHBondContact O-N 3.44Š| ||
| 1410 | E | 43.9 | Very low | 50.1 | Low | 119 Ų | 119 | 74 Ų | 74 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | trans | -63.6 | 132.1 | 177.4 | -67.8 | -155.9 | 157.3 | 0 | 0 | 111.1 | H1408 F1412 | H1408-E1410 PolarHBondContact O-N 3.43Å; E1410-F1412 WeakPolarHBondContact O-CD2 3.47Å; E1410-F1412 WeakPolarHBondContact O-CE2 3.25Å; E1410-F1412 PolarHBondContact O-N 3.45Å | ||
| 1411 | L | 48.4 | Very low | 48.4 | Very low | 97 Ų | 97 | 79.9 Ų | 79.9 | 51% | 0.508 | 42% | 0.417 | S | S | . | . | trans | -64.5 | 96.2 | -165.5 | -76.8 | 160.4 | 0 | 0 | 0 | 112.8 | N1409 S1413 P1417 | N1409-L1411 PolarHBondContact O-N 3.44Å; L1411-S1413 PolarHBondContact O-N 3.49Å; L1411-S1413 VanDerWaalsContact O-N 3.07Å; L1411-P1417 HydrophobicContact CD2-CB 3.72Å | ||
| 1412 | F | 53.9 | Low | 46.6 | Very low | 68 Ų | 68 | 78 Ų | 78 | 30% | 0.298 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -56.7 | -21.6 | 174.2 | -74.6 | -81 | 0 | 0 | 0 | 114.3 | F1370 T1374 R1378 I1406 E1410 | F1370-F1412 HydrophobicContact CZ-CE1 4.11Å; F1370-F1412 AromaticContact CZ-CZ 3.94Å; F1370-F1412 HydrophobicContact CZ-CZ 3.94Å; T1374-F1412 HydrophobicContact CG2-CD1 3.76Å; T1374-F1412 HydrophobicContact CG2-CE1 4.29Å; R1378-F1412 PolarHBondContact NH1-O 2.89Å; I1406-F1412 HydrophobicContact CB-CZ 3.98Å; I1406-F1412 HydrophobicContact CG1-CE1 4.11Å; I1406-F1412 HydrophobicContact CG1-CZ 3.67Å; I1406-F1412 HydrophobicContact CG2-CE2 4.26Å; I1406-F1412 HydrophobicContact CG2-CZ 3.87Å; E1410-F1412 WeakPolarHBondContact O-CD2 3.47Å; E1410-F1412 WeakPolarHBondContact O-CE2 3.25Å; E1410-F1412 PolarHBondContact O-N 3.45Å |
| 1413 | S | 56.7 | Low | 45 | Very low | 5 Ų | 5 | 82.1 Ų | 82.1 | 4% | 0.035 | 45% | 0.448 | C | S | . | . | trans | -150.3 | 136.4 | -179.3 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | D1319 L1411 L1415 W1416 | D1319-S1413 VanDerWaalsContact OD1-CB 3.3Å; D1319-S1413 WeakPolarHBondContact OD1-CB 3.47Å; D1319-S1413 PolarHBondContact OD1-OG 2.93Å; D1319-S1413 WeakPolarHBondContact OD2-CA 3.47Å; D1319-S1413 PolarHBondContact OD2-OG 2.71Å; L1411-S1413 PolarHBondContact O-N 3.49Å; L1411-S1413 VanDerWaalsContact O-N 3.07Å; S1413-L1415 PolarHBondContact OG-N 3.32Å; S1413-L1415 VanDerWaalsContact OG-N 3.13Å; S1413-W1416 PolarHBondContact OG-N 2.89Å | ||
| 1414 | Y | 56.3 | Low | 43.5 | Very low | 32 Ų | 32 | 85.9 Ų | 85.9 | 13% | 0.125 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -75.6 | -30.1 | 165.6 | -76.5 | -78.1 | 0 | 0 | 0 | 112.8 | V1219 I1224 R1312 C1315 L1316 D1319 | V1219-Y1414 HydrophobicContact CG2-CD1 4.38Å; V1219-Y1414 HydrophobicContact CG2-CE1 3.99Å; I1224-Y1414 WeakPolarHBondContact CD1-O 3.47Å; I1224-Y1414 WeakPolarHBondContact CG1-O 3.36Å; I1224-Y1414 WeakPolarHBondContact CG2-O 3.25Å; R1312-Y1414 WeakPolarHBondContact CG-OH 3.5Å; C1315-Y1414 HydrophobicContact CB-CD2 3.91Å; C1315-Y1414 HydrophobicContact CB-CE2 3.81Å; L1316-Y1414 HydrophobicContact CB-CD2 4.45Å; D1319-Y1414 PolarHBondContact OD2-N 3.09Å |
| 1415 | L | 55 | Low | 42 | Very low | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.01 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -92.9 | -8.5 | -178.5 | -64 | -174.9 | 0 | 0 | 0 | 114.1 | I1224 L1227 R1228 D1319 I1320 Y1323 S1413 | I1224-L1415 HydrophobicContact CG2-CD2 4.47Å; L1227-L1415 HydrophobicContact CD2-CD2 4.39Å; R1228-L1415 PolarHBondContact NH1-O 3.23Å; R1228-L1415 VanDerWaalsContact NH1-O 3.1Å; D1319-L1415 HydrophobicContact CB-CB 4.19Å; D1319-L1415 HydrophobicContact CB-CD1 3.93Å; D1319-L1415 HydrophobicContact CB-CG 3.88Å; I1320-L1415 HydrophobicContact CG1-CD1 4.25Å; Y1323-L1415 HydrophobicContact CG-CD1 4.19Å; S1413-L1415 PolarHBondContact OG-N 3.32Å; S1413-L1415 VanDerWaalsContact OG-N 3.13Å |
| 1416 | W | 58.1 | Low | 40.6 | Very low | 76 Ų | 76 | 80.8 Ų | 80.8 | 29% | 0.288 | 46% | 0.463 | S | S | . | . | trans | -137.2 | 68.6 | 170.3 | -72.3 | -93.3 | 0 | 0 | 0 | 110.6 | I1322 Y1323 S1413 S1418 | I1322-W1416 HydrophobicContact CG2-CH2 4.11Å; I1322-W1416 HydrophobicContact CG2-CZ3 4.07Å; Y1323-W1416 AromaticContact CD2-CH2 3.56Å; Y1323-W1416 HydrophobicContact CD2-CH2 3.56Å; Y1323-W1416 AromaticContact CD2-CZ2 3.92Å; Y1323-W1416 HydrophobicContact CD2-CZ2 3.92Å; Y1323-W1416 HydrophobicContact CD2-CZ3 4.03Å; Y1323-W1416 HydrophobicContact CE2-CH2 4.41Å; Y1323-W1416 HydrophobicContact CE2-CZ2 4.34Å; Y1323-W1416 HydrophobicContact CG-CH2 4.43Å; S1413-W1416 PolarHBondContact OG-N 2.89Å; W1416-S1418 PolarHBondContact O-N 3.45Å | ||
| 1417 | P | 46.4 | Very low | 39.2 | Very low | 41 Ų | 41 | 82.5 Ų | 82.5 | 27% | 0.266 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -69.1 | -17.4 | 176.3 | 30.4 | -36.6 | 0 | 0 | 0 | 113 | I1224 L1411 | I1224-P1417 HydrophobicContact CD1-CG 4.46Å; L1411-P1417 HydrophobicContact CD2-CB 3.72Å |
| 1418 | S | 34.5 | Very low | 38.5 | Very low | 72 Ų | 72 | 80.3 Ų | 80.3 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | trans | -124.5 | 66.5 | -171.9 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | W1416 | W1416-S1418 PolarHBondContact O-N 3.45Š| ||
| 1419 | S | 28 | Very low | 37.9 | Very low | 99 Ų | 99 | 77.4 Ų | 77.4 | 69% | 0.692 | 46% | 0.463 | S | S | * | . | trans | -92.2 | 55.5 | 155.3 | 58.3 | 0 | 0 | 0 | 0 | 110 | L1421 | S1419-L1421 PolarHBondContact O-N 2.84Š| ||
| 1420 | S | 27 | Very low | 37.3 | Very low | 100 Ų | 100 | 73 Ų | 73 | 70% | 0.699 | 44% | 0.444 | S | S | * | . | trans | -57.3 | 126.7 | 155.5 | 42.6 | 0 | 0 | 0 | 0 | 106.9 | S1422 | S1420-S1422 PolarHBondContact O-N 3.25Š| ||
| 1421 | L | 26.5 | Very low | 36.5 | Very low | 151 Ų | 151 | 72 Ų | 72 | 79% | 0.791 | 45% | 0.446 | S | S | * | . | trans | -68.3 | 90.7 | -161.5 | -156 | 75.5 | 0 | 0 | 0 | 110.7 | S1419 S1423 | S1419-L1421 PolarHBondContact O-N 2.84Å; L1421-S1423 PolarHBondContact O-N 3.5Å | ||
| 1422 | S | 25.6 | Very low | 35.7 | Very low | 76 Ų | 76 | 72.1 Ų | 72.1 | 53% | 0.531 | 45% | 0.446 | S | S | . | . | trans | -66.8 | 127.3 | -170.7 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | S1420 S1424 S1425 | S1420-S1422 PolarHBondContact O-N 3.25Å; S1422-S1424 PolarHBondContact O-N 2.79Å; S1422-S1425 PolarHBondContact O-N 2.91Å; S1422-S1425 PolarHBondContact O-OG 3.44Å | ||
| 1423 | S | 30.3 | Very low | 34.5 | Very low | 96 Ų | 96 | 70.3 Ų | 70.3 | 67% | 0.671 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -61 | -14.9 | -167.1 | 50.7 | 0 | 0 | 0 | 0 | 114.4 | L1421 S1425 S1426 | L1421-S1423 PolarHBondContact O-N 3.5Å; S1423-S1425 PolarHBondContact O-N 2.87Å; S1423-S1426 VanDerWaalsContact O-CB 3.28Å; S1423-S1426 WeakPolarHBondContact O-CB 3.35Å; S1423-S1426 PolarHBondContact O-N 2.77Å; S1423-S1426 PolarHBondContact O-OG 3.26Å |
| 1424 | S | 26.9 | Very low | 33.2 | Very low | 92 Ų | 92 | 74.2 Ų | 74.2 | 64% | 0.643 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -60.4 | -21.9 | 170.1 | 48.8 | 0 | 0 | 0 | 0 | 114.3 | S1422 S1427 | S1422-S1424 PolarHBondContact O-N 2.79Å; S1424-S1427 PolarHBondContact O-OG 2.89Å |
| 1425 | S | 27.6 | Very low | 32.1 | Very low | 41 Ų | 41 | 79.2 Ų | 79.2 | 29% | 0.287 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -82.4 | -15.1 | 171 | 60.6 | 0 | 0 | 0 | 0 | 114 | S1422 S1423 S1427 S1428 L1429 | S1422-S1425 PolarHBondContact O-N 2.91Å; S1422-S1425 PolarHBondContact O-OG 3.44Å; S1423-S1425 PolarHBondContact O-N 2.87Å; S1425-S1427 VanDerWaalsContact C-N 3.3Å; S1425-S1427 PolarHBondContact O-N 3.37Å; S1425-S1428 PolarHBondContact O-OG 2.99Å; S1425-L1429 WeakPolarHBondContact O-CG 3.37Å; S1425-L1429 PolarHBondContact O-N 2.91Å |
| 1426 | S | 28.4 | Very low | 31.1 | Very low | 66 Ų | 66 | 82.2 Ų | 82.2 | 46% | 0.462 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.6 | -24.7 | -177.2 | 72.2 | 0 | 0 | 0 | 0 | 113.7 | S1423 L1429 S1430 | S1423-S1426 VanDerWaalsContact O-CB 3.28Å; S1423-S1426 WeakPolarHBondContact O-CB 3.35Å; S1423-S1426 PolarHBondContact O-N 2.77Å; S1423-S1426 PolarHBondContact O-OG 3.26Å; S1426-L1429 PolarHBondContact O-N 3.45Å; S1426-S1430 WeakPolarHBondContact O-CB 3.33Å; S1426-S1430 PolarHBondContact O-N 3.19Å; S1426-S1430 PolarHBondContact O-OG 3.35Å |
| 1427 | S | 26 | Very low | 29.8 | Very low | 80 Ų | 80 | 85.8 Ų | 85.8 | 56% | 0.559 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -79.5 | -27.6 | -177.1 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | S1424 S1425 S1430 | S1424-S1427 PolarHBondContact O-OG 2.89Å; S1425-S1427 VanDerWaalsContact C-N 3.3Å; S1425-S1427 PolarHBondContact O-N 3.37Å; S1427-S1430 PolarHBondContact O-OG 3.04Å; S1427-S1430 VanDerWaalsContact O-OG 3.07Å |
| 1428 | S | 29.3 | Very low | 29.4 | Very low | 74 Ų | 74 | 88 Ų | 88 | 52% | 0.517 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -81.6 | -32.4 | 166.4 | 52.9 | 0 | 0 | 0 | 0 | 111.4 | S1425 | S1425-S1428 PolarHBondContact O-OG 2.99Å |
| 1429 | L | 27.5 | Very low | 29.4 | Very low | 83 Ų | 83 | 90.1 Ų | 90.1 | 44% | 0.435 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 173.5 | -77.9 | 167.9 | 0 | 0 | 0 | 113.1 | S1425 S1426 T1431 I1432 S1433 | S1425-L1429 WeakPolarHBondContact O-CG 3.37Å; S1425-L1429 PolarHBondContact O-N 2.91Å; S1426-L1429 PolarHBondContact O-N 3.45Å; L1429-T1431 PolarHBondContact O-N 3.14Å; L1429-I1432 CarbonylContact O-C 3.58Å; L1429-I1432 PolarHBondContact O-N 3.11Å; L1429-S1433 WeakPolarHBondContact O-CB 3.27Å; L1429-S1433 PolarHBondContact O-N 2.97Å |
| 1430 | S | 27 | Very low | 30.3 | Very low | 63 Ų | 63 | 88.1 Ų | 88.1 | 44% | 0.441 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.3 | -31.4 | -179.9 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | S1426 S1427 I1432 S1433 S1434 | S1426-S1430 WeakPolarHBondContact O-CB 3.33Å; S1426-S1430 PolarHBondContact O-N 3.19Å; S1426-S1430 PolarHBondContact O-OG 3.35Å; S1427-S1430 PolarHBondContact O-OG 3.04Å; S1427-S1430 VanDerWaalsContact O-OG 3.07Å; S1430-I1432 VanDerWaalsContact C-N 3.3Å; S1430-I1432 PolarHBondContact O-N 2.97Å; S1430-S1433 WeakPolarHBondContact CA-OG 3.26Å; S1430-S1433 PolarHBondContact O-OG 3.33Å; S1430-S1434 PolarHBondContact O-N 2.86Å; S1430-S1434 VanDerWaalsContact O-N 3.15Å |
| 1431 | T | 27.5 | Very low | 31.1 | Very low | 97 Ų | 97 | 86.3 Ų | 86.3 | 60% | 0.595 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -74.7 | -21.2 | 176.7 | -45.2 | 0 | 0 | 0 | 0 | 112.3 | L1429 S1434 | L1429-T1431 PolarHBondContact O-N 3.14Å; T1431-S1434 PolarHBondContact O-OG 2.99Å; T1431-S1434 VanDerWaalsContact O-OG 3.05Å |
| 1432 | I | 30.3 | Very low | 31.9 | Very low | 100 Ų | 100 | 85.4 Ų | 85.4 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -96.1 | -31 | 175.3 | -62.5 | 176.4 | 0 | 0 | 0 | 110.7 | L1429 S1430 I1435 T1436 | L1429-I1432 CarbonylContact O-C 3.58Å; L1429-I1432 PolarHBondContact O-N 3.11Å; S1430-I1432 VanDerWaalsContact C-N 3.3Å; S1430-I1432 PolarHBondContact O-N 2.97Å; I1432-I1435 PolarHBondContact O-N 3.42Å; I1432-I1435 VanDerWaalsContact O-N 3.16Å; I1432-T1436 PolarHBondContact O-N 3.27Å; I1432-T1436 VanDerWaalsContact O-N 3.16Å; I1432-T1436 PolarHBondContact O-OG1 3.01Å |
| 1433 | S | 29.2 | Very low | 33 | Very low | 30 Ų | 30 | 84.9 Ų | 84.9 | 21% | 0.21 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -71 | -30.8 | 177.6 | 83 | 0 | 0 | 0 | 0 | 111.6 | L1429 S1430 I1435 T1436 H1437 | L1429-S1433 WeakPolarHBondContact O-CB 3.27Å; L1429-S1433 PolarHBondContact O-N 2.97Å; S1430-S1433 WeakPolarHBondContact CA-OG 3.26Å; S1430-S1433 PolarHBondContact O-OG 3.33Å; S1433-I1435 PolarHBondContact O-N 3.48Å; S1433-I1435 VanDerWaalsContact O-N 3.15Å; S1433-T1436 CarbonylContact O-C 3.57Å; S1433-T1436 PolarHBondContact O-N 3.21Å; S1433-H1437 VanDerWaalsContact C-CD2 3.4Å; S1433-H1437 VanDerWaalsContact CB-CD2 3.47Å; S1433-H1437 WeakPolarHBondContact CB-CD2 3.35Å; S1433-H1437 VanDerWaalsContact CB-NE2 3.29Å; S1433-H1437 WeakPolarHBondContact CB-NE2 3.38Å; S1433-H1437 WeakPolarHBondContact O-CB 3.4Å; S1433-H1437 PolarHBondContact O-CD2 3.49Å; S1433-H1437 VanDerWaalsContact O-CG 3.26Å; S1433-H1437 PolarHBondContact O-N 2.95Å; S1433-H1437 PolarHBondContact OG-CD2 2.87Å; S1433-H1437 PolarHBondContact OG-NE2 3.39Å |
| 1434 | S | 28.9 | Very low | 33.7 | Very low | 88 Ų | 88 | 81.2 Ų | 81.2 | 62% | 0.615 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -56.1 | -28.4 | 168.9 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | S1430 T1431 | S1430-S1434 PolarHBondContact O-N 2.86Å; S1430-S1434 VanDerWaalsContact O-N 3.15Å; T1431-S1434 PolarHBondContact O-OG 2.99Å; T1431-S1434 VanDerWaalsContact O-OG 3.05Å |
| 1435 | I | 33.8 | Very low | 34.5 | Very low | 137 Ų | 137 | 77.8 Ų | 77.8 | 70% | 0.703 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -93 | -16.7 | 177.1 | -61.2 | 177 | 0 | 0 | 0 | 112.1 | I1432 S1433 | I1432-I1435 PolarHBondContact O-N 3.42Å; I1432-I1435 VanDerWaalsContact O-N 3.16Å; S1433-I1435 PolarHBondContact O-N 3.48Å; S1433-I1435 VanDerWaalsContact O-N 3.15Å |
| 1436 | T | 33.9 | Very low | 35.5 | Very low | 64 Ų | 64 | 80.3 Ų | 80.3 | 39% | 0.393 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -127.5 | 3.7 | -170.8 | 55 | 0 | 0 | 0 | 0 | 116.2 | I1432 S1433 S1438 | I1432-T1436 PolarHBondContact O-N 3.27Å; I1432-T1436 VanDerWaalsContact O-N 3.16Å; I1432-T1436 PolarHBondContact O-OG1 3.01Å; S1433-T1436 CarbonylContact O-C 3.57Å; S1433-T1436 PolarHBondContact O-N 3.21Å; T1436-S1438 PolarHBondContact O-N 2.89Å; T1436-S1438 VanDerWaalsContact O-N 3.13Å |
| 1437 | H | 31.8 | Very low | 36.5 | Very low | 152 Ų | 152 | 81.4 Ų | 81.4 | 70% | 0.704 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -6.4 | 178.9 | -95.8 | -52.2 | 0 | 0 | 0 | 115.1 | S1433 | S1433-H1437 VanDerWaalsContact C-CD2 3.4Å; S1433-H1437 VanDerWaalsContact CB-CD2 3.47Å; S1433-H1437 WeakPolarHBondContact CB-CD2 3.35Å; S1433-H1437 VanDerWaalsContact CB-NE2 3.29Å; S1433-H1437 WeakPolarHBondContact CB-NE2 3.38Å; S1433-H1437 WeakPolarHBondContact O-CB 3.4Å; S1433-H1437 PolarHBondContact O-CD2 3.49Å; S1433-H1437 VanDerWaalsContact O-CG 3.26Å; S1433-H1437 PolarHBondContact O-N 2.95Å; S1433-H1437 PolarHBondContact OG-CD2 2.87Å; S1433-H1437 PolarHBondContact OG-NE2 3.39Å |
| 1438 | S | 38 | Very low | 37.4 | Very low | 87 Ų | 87 | 77.8 Ų | 77.8 | 61% | 0.608 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -15.8 | 178.1 | 48.7 | 0 | 0 | 0 | 0 | 114.8 | T1436 | T1436-S1438 PolarHBondContact O-N 2.89Å; T1436-S1438 VanDerWaalsContact O-N 3.13Å |
| 1439 | Y | 34.9 | Very low | 38.1 | Very low | 116 Ų | 116 | 77 Ų | 77 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | trans | -139.7 | 119.5 | -179.6 | -61.6 | -73.9 | 0 | 0 | 0 | 112 | D1443 | Y1439-D1443 HydrophobicContact CD1-CB 4.23Š| ||
| 1440 | S | 45.2 | Very low | 39.3 | Very low | 57 Ų | 57 | 75.9 Ų | 75.9 | 40% | 0.399 | 41% | 0.413 | S | S | . | . | trans | -66.8 | 163.6 | 166.1 | 78.8 | 0 | 0 | 0 | 0 | 110.3 | K1442 D1443 L1444 | S1440-K1442 PolarHBondContact O-N 2.95Å; S1440-K1442 PolarHBondContact OG-N 2.91Å; S1440-D1443 WeakPolarHBondContact CA-OD2 3.48Å; S1440-D1443 WeakPolarHBondContact CB-OD2 3.11Å; S1440-D1443 PolarHBondContact N-OD2 3.5Å; S1440-D1443 PolarHBondContact O-N 2.86Å; S1440-D1443 PolarHBondContact OG-N 3.49Å; S1440-D1443 PolarHBondContact OG-OD2 2.94Å; S1440-L1444 PolarHBondContact O-N 3.1Å | ||
| 1441 | L | 43.9 | Very low | 40.3 | Very low | 62 Ų | 62 | 74.4 Ų | 74.4 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.9 | -31.8 | 174.3 | -170.7 | 69.7 | 0 | 0 | 0 | 111.4 | I1403 I1445 I1477 K1480 | I1403-L1441 HydrophobicContact CG2-CD2 3.93Å; L1441-I1445 HydrophobicContact CG-CD1 4.08Å; L1441-I1445 WeakPolarHBondContact O-CD1 3.41Å; L1441-I1445 VanDerWaalsContact O-CG1 3.26Å; L1441-I1445 WeakPolarHBondContact O-CG1 3.35Å; L1441-I1445 PolarHBondContact O-N 3.12Å; L1441-I1445 VanDerWaalsContact O-N 3.11Å; L1441-I1477 HydrophobicContact CD1-CG1 4.44Å; L1441-K1480 HydrophobicContact CD1-CD 3.93Å |
| 1442 | K | 43.9 | Very low | 41.1 | Very low | 132 Ų | 132 | 71.8 Ų | 71.8 | 57% | 0.574 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.5 | -43.5 | 177.4 | -173.5 | 170.8 | -178.9 | -75 | 0 | 111.9 | S1440 L1444 I1445 E1446 | S1440-K1442 PolarHBondContact O-N 2.95Å; S1440-K1442 PolarHBondContact OG-N 2.91Å; K1442-L1444 VanDerWaalsContact C-N 3.3Å; K1442-L1444 PolarHBondContact O-N 3.03Å; K1442-I1445 CarbonylContact O-C 3.59Å; K1442-I1445 PolarHBondContact O-N 3.44Å; K1442-I1445 VanDerWaalsContact O-N 3.14Å; K1442-E1446 WeakPolarHBondContact CE-OE1 3.4Å; K1442-E1446 IonicContact NZ-OE1 3.01Å; K1442-E1446 PolarHBondContact NZ-OE1 3.01Å; K1442-E1446 PolarHBondContact O-N 3.46Å |
| 1443 | D | 48 | Very low | 42 | Very low | 66 Ų | 66 | 71.1 Ų | 71.1 | 35% | 0.353 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 178.3 | -47.9 | -49.9 | 0 | 0 | 0 | 111.4 | Y1439 S1440 I1445 E1446 Q1447 | Y1439-D1443 HydrophobicContact CD1-CB 4.23Å; S1440-D1443 WeakPolarHBondContact CA-OD2 3.48Å; S1440-D1443 WeakPolarHBondContact CB-OD2 3.11Å; S1440-D1443 PolarHBondContact N-OD2 3.5Å; S1440-D1443 PolarHBondContact O-N 2.86Å; S1440-D1443 PolarHBondContact OG-N 3.49Å; S1440-D1443 PolarHBondContact OG-OD2 2.94Å; D1443-I1445 VanDerWaalsContact C-N 3.31Å; D1443-I1445 PolarHBondContact O-N 3.4Å; D1443-E1446 PolarHBondContact O-N 3.29Å; D1443-Q1447 WeakPolarHBondContact O-CB 3.26Å; D1443-Q1447 WeakPolarHBondContact O-CG 3.16Å; D1443-Q1447 PolarHBondContact O-N 3.33Å |
| 1444 | L | 46 | Very low | 42.9 | Very low | 18 Ų | 18 | 73.9 Ų | 73.9 | 9% | 0.094 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66 | -34.1 | 175.5 | -147.7 | 88.5 | 0 | 0 | 0 | 112.2 | S1440 K1442 S1448 T1473 I1476 I1477 | S1440-L1444 PolarHBondContact O-N 3.1Å; K1442-L1444 VanDerWaalsContact C-N 3.3Å; K1442-L1444 PolarHBondContact O-N 3.03Å; L1444-S1448 PolarHBondContact O-N 3.44Å; L1444-S1448 PolarHBondContact O-OG 2.96Å; L1444-T1473 HydrophobicContact CD2-CG2 3.97Å; L1444-T1473 HydrophobicContact CG-CG2 4.05Å; L1444-I1476 HydrophobicContact CD2-CB 4.06Å; L1444-I1476 HydrophobicContact CD2-CG2 3.58Å; L1444-I1477 HydrophobicContact CD2-CG1 4.12Å |
| 1445 | I | 43.1 | Very low | 43.5 | Very low | 21 Ų | 21 | 71.7 Ų | 71.7 | 11% | 0.108 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.2 | -42.6 | 174.4 | -70.9 | 165.8 | 0 | 0 | 0 | 110.6 | V1400 I1403 L1441 K1442 D1443 Q1447 S1448 I1449 I1477 | V1400-I1445 HydrophobicContact CG2-CG2 3.95Å; I1403-I1445 HydrophobicContact CD1-CD1 3.93Å; I1403-I1445 HydrophobicContact CG2-CD1 3.94Å; L1441-I1445 HydrophobicContact CG-CD1 4.08Å; L1441-I1445 WeakPolarHBondContact O-CD1 3.41Å; L1441-I1445 VanDerWaalsContact O-CG1 3.26Å; L1441-I1445 WeakPolarHBondContact O-CG1 3.35Å; L1441-I1445 PolarHBondContact O-N 3.12Å; L1441-I1445 VanDerWaalsContact O-N 3.11Å; K1442-I1445 CarbonylContact O-C 3.59Å; K1442-I1445 PolarHBondContact O-N 3.44Å; K1442-I1445 VanDerWaalsContact O-N 3.14Å; D1443-I1445 VanDerWaalsContact C-N 3.31Å; D1443-I1445 PolarHBondContact O-N 3.4Å; I1445-Q1447 PolarHBondContact O-N 3.36Å; I1445-S1448 WeakPolarHBondContact CA-OG 3.39Å; I1445-S1448 PolarHBondContact O-N 3.05Å; I1445-S1448 PolarHBondContact O-OG 3.08Å; I1445-I1449 HydrophobicContact CG2-CD1 3.73Å; I1445-I1449 HydrophobicContact CG2-CG1 4.37Å; I1445-I1449 WeakPolarHBondContact O-CB 3.29Å; I1445-I1449 VanDerWaalsContact O-CG1 3.27Å; I1445-I1449 WeakPolarHBondContact O-CG1 3.36Å; I1445-I1449 PolarHBondContact O-N 3.39Å; I1445-I1477 HydrophobicContact CG1-CD1 4.46Å |
| 1446 | E | 49.9 | Very low | 44 | Very low | 94 Ų | 94 | 71.2 Ų | 71.2 | 44% | 0.439 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 175.9 | -75.2 | -178.7 | -162.7 | 0 | 0 | 112.3 | K1442 D1443 S1450 | K1442-E1446 WeakPolarHBondContact CE-OE1 3.4Å; K1442-E1446 IonicContact NZ-OE1 3.01Å; K1442-E1446 PolarHBondContact NZ-OE1 3.01Å; K1442-E1446 PolarHBondContact O-N 3.46Å; D1443-E1446 PolarHBondContact O-N 3.29Å; E1446-S1450 VanDerWaalsContact O-CB 3.28Å; E1446-S1450 WeakPolarHBondContact O-CB 3.32Å; E1446-S1450 PolarHBondContact O-N 2.95Å |
| 1447 | Q | 49.2 | Very low | 44.7 | Very low | 88 Ų | 88 | 74.3 Ų | 74.3 | 41% | 0.411 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63 | -43 | 169.7 | -79.7 | -173.8 | -11.4 | 0 | 0 | 112.3 | D1443 I1445 S1450 L1451 | D1443-Q1447 WeakPolarHBondContact O-CB 3.26Å; D1443-Q1447 WeakPolarHBondContact O-CG 3.16Å; D1443-Q1447 PolarHBondContact O-N 3.33Å; I1445-Q1447 PolarHBondContact O-N 3.36Å; Q1447-S1450 WeakPolarHBondContact O-CB 3.48Å; Q1447-S1450 PolarHBondContact O-N 2.9Å; Q1447-L1451 VanDerWaalsContact O-CD1 3.31Å; Q1447-L1451 WeakPolarHBondContact O-CD1 3.47Å; Q1447-L1451 PolarHBondContact O-N 2.92Å |
| 1448 | S | 44 | Very low | 45 | Very low | 5 Ų | 5 | 72.1 Ų | 72.1 | 4% | 0.035 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72.9 | -32.5 | 178.6 | 40.6 | 0 | 0 | 0 | 0 | 113.1 | L1444 I1445 L1451 V1452 | L1444-S1448 PolarHBondContact O-N 3.44Å; L1444-S1448 PolarHBondContact O-OG 2.96Å; I1445-S1448 WeakPolarHBondContact CA-OG 3.39Å; I1445-S1448 PolarHBondContact O-N 3.05Å; I1445-S1448 PolarHBondContact O-OG 3.08Å; S1448-L1451 PolarHBondContact O-N 2.93Å; S1448-V1452 WeakPolarHBondContact O-CG2 3.09Å; S1448-V1452 PolarHBondContact O-N 2.95Å |
| 1449 | I | 45.2 | Very low | 45.2 | Very low | 56 Ų | 56 | 76.8 Ų | 76.8 | 29% | 0.287 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 167 | -69.3 | 166.2 | 0 | 0 | 0 | 110.3 | L1396 V1400 I1445 V1452 N1453 | L1396-I1449 HydrophobicContact CD2-CG1 3.91Å; V1400-I1449 HydrophobicContact CG2-CD1 4.34Å; I1445-I1449 HydrophobicContact CG2-CD1 3.73Å; I1445-I1449 HydrophobicContact CG2-CG1 4.37Å; I1445-I1449 WeakPolarHBondContact O-CB 3.29Å; I1445-I1449 VanDerWaalsContact O-CG1 3.27Å; I1445-I1449 WeakPolarHBondContact O-CG1 3.36Å; I1445-I1449 PolarHBondContact O-N 3.39Å; I1449-V1452 PolarHBondContact O-N 2.95Å; I1449-N1453 WeakPolarHBondContact CG2-ND2 3.37Å; I1449-N1453 VanDerWaalsContact O-CB 3.3Å; I1449-N1453 WeakPolarHBondContact O-CB 3.36Å; I1449-N1453 VanDerWaalsContact O-CG 3.23Å; I1449-N1453 PolarHBondContact O-N 3.1Å; I1449-N1453 PolarHBondContact O-ND2 3.1Å |
| 1450 | S | 51.2 | Low | 45.6 | Very low | 60 Ų | 60 | 75.5 Ų | 75.5 | 42% | 0.42 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 176 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | E1446 Q1447 N1454 | E1446-S1450 VanDerWaalsContact O-CB 3.28Å; E1446-S1450 WeakPolarHBondContact O-CB 3.32Å; E1446-S1450 PolarHBondContact O-N 2.95Å; Q1447-S1450 WeakPolarHBondContact O-CB 3.48Å; Q1447-S1450 PolarHBondContact O-N 2.9Å; S1450-N1454 WeakPolarHBondContact O-CB 3.38Å; S1450-N1454 PolarHBondContact O-N 3.45Å; S1450-N1454 PolarHBondContact O-ND2 3.06Å |
| 1451 | L | 48.3 | Very low | 45.6 | Very low | 32 Ų | 32 | 81.8 Ų | 81.8 | 17% | 0.168 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -56.4 | -51.4 | 172.4 | -100.6 | 77 | 0 | 0 | 0 | 111.6 | Q1447 S1448 N1454 C1455 L1466 Q1469 | Q1447-L1451 VanDerWaalsContact O-CD1 3.31Å; Q1447-L1451 WeakPolarHBondContact O-CD1 3.47Å; Q1447-L1451 PolarHBondContact O-N 2.92Å; S1448-L1451 PolarHBondContact O-N 2.93Å; L1451-N1454 PolarHBondContact O-N 3.08Å; L1451-C1455 PolarHBondContact O-N 2.87Å; L1451-C1455 PolarHBondContact O-SG 3.3Å; L1451-C1455 VanDerWaalsContact O-SG 3.33Å; L1451-L1466 HydrophobicContact CB-CD2 4.37Å; L1451-L1466 HydrophobicContact CD2-CD2 4.27Å; L1451-L1466 HydrophobicContact CD2-CG 4Å; L1451-L1466 HydrophobicContact CG-CD2 4.04Å; L1451-L1466 HydrophobicContact CG-CG 4.15Å; L1451-Q1469 HydrophobicContact CD2-CB 3.79Å |
| 1452 | V | 44.5 | Very low | 45.6 | Very low | 42 Ų | 42 | 84.2 Ų | 84.2 | 26% | 0.255 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.6 | -37.9 | -176.3 | 171.2 | 0 | 0 | 0 | 0 | 112.1 | L1396 S1448 I1449 N1454 C1455 N1456 Y1470 | L1396-V1452 HydrophobicContact CD2-CB 4.41Å; L1396-V1452 HydrophobicContact CD2-CG2 4.26Å; S1448-V1452 WeakPolarHBondContact O-CG2 3.09Å; S1448-V1452 PolarHBondContact O-N 2.95Å; I1449-V1452 PolarHBondContact O-N 2.95Å; V1452-N1454 VanDerWaalsContact C-N 3.31Å; V1452-N1454 PolarHBondContact O-N 3.2Å; V1452-C1455 WeakPolarHBondContact O-CB 3.45Å; V1452-C1455 PolarHBondContact O-N 3.03Å; V1452-N1456 PolarHBondContact O-N 3.27Å; V1452-Y1470 HydrophobicContact CG2-CD2 4.32Å; V1452-Y1470 HydrophobicContact CG2-CE2 4.22Å |
| 1453 | N | 48.3 | Very low | 45.8 | Very low | 86 Ų | 86 | 80.6 Ų | 80.6 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.5 | -31.4 | 173.7 | -72 | -15 | 0 | 0 | 0 | 112.3 | I1449 N1457 | I1449-N1453 WeakPolarHBondContact CG2-ND2 3.37Å; I1449-N1453 VanDerWaalsContact O-CB 3.3Å; I1449-N1453 WeakPolarHBondContact O-CB 3.36Å; I1449-N1453 VanDerWaalsContact O-CG 3.23Å; I1449-N1453 PolarHBondContact O-N 3.1Å; I1449-N1453 PolarHBondContact O-ND2 3.1Å; N1453-N1457 PolarHBondContact O-ND2 3.31Å; N1453-N1457 VanDerWaalsContact O-ND2 3.17Å |
| 1454 | N | 48.8 | Very low | 45.9 | Very low | 89 Ų | 89 | 81.2 Ų | 81.2 | 48% | 0.476 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73 | -31.3 | 172.8 | -71.2 | -23.6 | 0 | 0 | 0 | 112.4 | S1450 L1451 V1452 | S1450-N1454 WeakPolarHBondContact O-CB 3.38Å; S1450-N1454 PolarHBondContact O-N 3.45Å; S1450-N1454 PolarHBondContact O-ND2 3.06Å; L1451-N1454 PolarHBondContact O-N 3.08Å; V1452-N1454 VanDerWaalsContact C-N 3.31Å; V1452-N1454 PolarHBondContact O-N 3.2Å |
| 1455 | C | 42.2 | Very low | 45.8 | Very low | 41 Ų | 41 | 87 Ų | 87 | 28% | 0.277 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 170 | -66 | 0 | 0 | 0 | 0 | 111.7 | L1451 V1452 N1457 N1458 L1462 L1466 | L1451-C1455 PolarHBondContact O-N 2.87Å; L1451-C1455 PolarHBondContact O-SG 3.3Å; L1451-C1455 VanDerWaalsContact O-SG 3.33Å; V1452-C1455 WeakPolarHBondContact O-CB 3.45Å; V1452-C1455 PolarHBondContact O-N 3.03Å; C1455-N1457 PolarHBondContact O-N 3.23Å; C1455-N1457 VanDerWaalsContact O-N 3.09Å; C1455-N1458 PolarHBondContact O-N 3.24Å; C1455-L1462 HydrophobicContact CB-CD1 4.46Å; C1455-L1466 WeakPolarHBondContact SG-CD2 3.21Å |
| 1456 | N | 44.2 | Very low | 45.8 | Very low | 127 Ų | 127 | 88.5 Ų | 88.5 | 68% | 0.679 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -11.3 | -175.5 | -75.7 | -7.3 | 0 | 0 | 0 | 114.9 | V1452 | V1452-N1456 PolarHBondContact O-N 3.27Š|
| 1457 | N | 47.6 | Very low | 45.5 | Very low | 129 Ų | 129 | 88.4 Ų | 88.4 | 69% | 0.69 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -8.6 | 179.8 | -73 | -41.8 | 0 | 0 | 0 | 114 | N1453 C1455 | N1453-N1457 PolarHBondContact O-ND2 3.31Å; N1453-N1457 VanDerWaalsContact O-ND2 3.17Å; C1455-N1457 PolarHBondContact O-N 3.23Å; C1455-N1457 VanDerWaalsContact O-N 3.09Å |
| 1458 | N | 39.7 | Very low | 45.6 | Very low | 107 Ų | 107 | 90.4 Ų | 90.4 | 57% | 0.572 | 50% | 0.498 | S | S | * | . | trans | -129.4 | 97.4 | -174.8 | -70.7 | -37.9 | 0 | 0 | 0 | 110.9 | C1455 S1460 | C1455-N1458 PolarHBondContact O-N 3.24Å; N1458-S1460 PolarHBondContact O-N 3.17Å | ||
| 1459 | D | 41.7 | Very low | 45.7 | Very low | 185 Ų | 185 | 94.3 Ų | 94.3 | 99% | 0.989 | 52% | 0.516 | S | S | * | . | trans | -66.7 | 17.6 | 175.2 | -73.2 | -50 | 0 | 0 | 0 | 114.6 | ||||
| 1460 | S | 42.6 | Very low | 45.7 | Very low | 88 Ų | 88 | 94.7 Ų | 94.7 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -108.4 | 114 | -177.4 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | N1458 | N1458-S1460 PolarHBondContact O-N 3.17Š|
| 1461 | E | 46 | Very low | 45.5 | Very low | 190 Ų | 190 | 95.1 Ų | 95.1 | 89% | 0.888 | 51% | 0.514 | S | S | * | . | trans | 22.5 | 95 | 167.9 | -65.6 | -170 | 126 | 0 | 0 | 116.3 | S1463 | E1461-S1463 PolarHBondContact O-N 3.28Š| ||
| 1462 | L | 42.9 | Very low | 45.6 | Very low | 113 Ų | 113 | 98.7 Ų | 98.7 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | trans | -46.6 | 102.1 | 175.6 | -168.9 | 94.4 | 0 | 0 | 0 | 111.2 | C1455 A1464 L1467 | C1455-L1462 HydrophobicContact CB-CD1 4.46Å; L1462-A1464 PolarHBondContact O-N 3.27Å; L1462-L1467 HydrophobicContact CD2-CB 4.22Å; L1462-L1467 HydrophobicContact CD2-CD1 4.3Å | ||
| 1463 | S | 49.5 | Very low | 45.6 | Very low | 55 Ų | 55 | 97.7 Ų | 97.7 | 39% | 0.385 | 52% | 0.524 | S | S | . | . | trans | -62.2 | 135.5 | -171.4 | 72.3 | 0 | 0 | 0 | 0 | 110.7 | E1461 E1465 L1466 L1467 | E1461-S1463 PolarHBondContact O-N 3.28Å; S1463-E1465 PolarHBondContact O-N 3.02Å; S1463-L1466 PolarHBondContact O-N 3.5Å; S1463-L1466 PolarHBondContact OG-N 2.97Å; S1463-L1467 PolarHBondContact O-N 3.48Å | ||
| 1464 | A | 48.9 | Very low | 45.4 | Very low | 80 Ų | 80 | 95.3 Ų | 95.3 | 66% | 0.661 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.7 | -29.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L1462 L1467 Q1468 | L1462-A1464 PolarHBondContact O-N 3.27Å; A1464-L1467 PolarHBondContact O-N 2.91Å; A1464-Q1468 VanDerWaalsContact O-CB 3.29Å; A1464-Q1468 WeakPolarHBondContact O-CB 3.5Å; A1464-Q1468 PolarHBondContact O-N 3.47Å |
| 1465 | E | 44.5 | Very low | 45.4 | Very low | 139 Ų | 139 | 96.9 Ų | 96.9 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -41.9 | 175.5 | -164.4 | 165.2 | -142.6 | 0 | 0 | 112.8 | S1463 Q1468 Q1469 | S1463-E1465 PolarHBondContact O-N 3.02Å; E1465-Q1468 PolarHBondContact O-N 3.44Å; E1465-Q1469 WeakPolarHBondContact O-CG 3.23Å; E1465-Q1469 PolarHBondContact O-N 2.87Å |
| 1466 | L | 42 | Very low | 45.6 | Very low | 53 Ų | 53 | 98 Ų | 98 | 28% | 0.277 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 172.8 | -108.8 | 91.8 | 0 | 0 | 0 | 111.8 | L1451 C1455 S1463 Q1468 Q1469 Y1470 | L1451-L1466 HydrophobicContact CB-CD2 4.37Å; L1451-L1466 HydrophobicContact CD2-CD2 4.27Å; L1451-L1466 HydrophobicContact CD2-CG 4Å; L1451-L1466 HydrophobicContact CG-CD2 4.04Å; L1451-L1466 HydrophobicContact CG-CG 4.15Å; C1455-L1466 WeakPolarHBondContact SG-CD2 3.21Å; S1463-L1466 PolarHBondContact O-N 3.5Å; S1463-L1466 PolarHBondContact OG-N 2.97Å; L1466-Q1468 VanDerWaalsContact C-N 3.29Å; L1466-Q1468 PolarHBondContact O-N 2.85Å; L1466-Q1469 PolarHBondContact O-N 3.39Å; L1466-Y1470 WeakPolarHBondContact O-CB 3.48Å; L1466-Y1470 PolarHBondContact O-N 3.36Å |
| 1467 | L | 45.2 | Very low | 45.7 | Very low | 92 Ų | 92 | 93 Ų | 93 | 48% | 0.482 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 176.9 | -176.7 | 62.7 | 0 | 0 | 0 | 111.4 | L1462 S1463 A1464 T1471 | L1462-L1467 HydrophobicContact CD2-CB 4.22Å; L1462-L1467 HydrophobicContact CD2-CD1 4.3Å; S1463-L1467 PolarHBondContact O-N 3.48Å; A1464-L1467 PolarHBondContact O-N 2.91Å; L1467-T1471 WeakPolarHBondContact O-CB 3.29Å; L1467-T1471 PolarHBondContact O-N 3.48Å; L1467-T1471 PolarHBondContact O-OG1 3.21Å |
| 1468 | Q | 51.1 | Low | 45.6 | Very low | 130 Ų | 130 | 88 Ų | 88 | 61% | 0.607 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.7 | -46.6 | 173.9 | -177 | 172.2 | -14.6 | 0 | 0 | 111.5 | A1464 E1465 L1466 T1471 Q1472 | A1464-Q1468 VanDerWaalsContact O-CB 3.29Å; A1464-Q1468 WeakPolarHBondContact O-CB 3.5Å; A1464-Q1468 PolarHBondContact O-N 3.47Å; E1465-Q1468 PolarHBondContact O-N 3.44Å; L1466-Q1468 VanDerWaalsContact C-N 3.29Å; L1466-Q1468 PolarHBondContact O-N 2.85Å; Q1468-T1471 PolarHBondContact O-N 3.35Å; Q1468-Q1472 WeakPolarHBondContact O-CB 3.42Å; Q1468-Q1472 PolarHBondContact O-N 2.96Å |
| 1469 | Q | 44.7 | Very low | 45.8 | Very low | 86 Ų | 86 | 86.5 Ų | 86.5 | 40% | 0.402 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.1 | -74.5 | 178.6 | 11.6 | 0 | 0 | 112.6 | L1451 E1465 L1466 Q1472 T1473 | L1451-Q1469 HydrophobicContact CD2-CB 3.79Å; E1465-Q1469 WeakPolarHBondContact O-CG 3.23Å; E1465-Q1469 PolarHBondContact O-N 2.87Å; L1466-Q1469 PolarHBondContact O-N 3.39Å; Q1469-Q1472 PolarHBondContact O-N 3.26Å; Q1469-T1473 WeakPolarHBondContact O-CB 3.43Å; Q1469-T1473 PolarHBondContact O-N 2.96Å; Q1469-T1473 PolarHBondContact O-OG1 3.13Å |
| 1470 | Y | 45.8 | Very low | 45.9 | Very low | 65 Ų | 65 | 81.9 Ų | 81.9 | 26% | 0.255 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 173.6 | -178.5 | -100 | 0 | 0 | 0 | 111.2 | L1396 V1452 L1466 Q1472 T1473 C1474 | L1396-Y1470 HydrophobicContact CD1-CE2 4.45Å; V1452-Y1470 HydrophobicContact CG2-CD2 4.32Å; V1452-Y1470 HydrophobicContact CG2-CE2 4.22Å; L1466-Y1470 WeakPolarHBondContact O-CB 3.48Å; L1466-Y1470 PolarHBondContact O-N 3.36Å; Y1470-Q1472 VanDerWaalsContact C-N 3.33Å; Y1470-Q1472 PolarHBondContact O-N 3.42Å; Y1470-T1473 PolarHBondContact O-N 2.91Å; Y1470-C1474 VanDerWaalsContact CE1-SG 3.59Å; Y1470-C1474 VanDerWaalsContact CZ-SG 3.6Å; Y1470-C1474 PolarHBondContact O-N 2.7Å; Y1470-C1474 PolarHBondContact O-SG 3.5Å |
| 1471 | T | 46.9 | Very low | 45.9 | Very low | 68 Ų | 68 | 80 Ų | 80 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 178.2 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | L1467 Q1468 C1474 Q1475 | L1467-T1471 WeakPolarHBondContact O-CB 3.29Å; L1467-T1471 PolarHBondContact O-N 3.48Å; L1467-T1471 PolarHBondContact O-OG1 3.21Å; Q1468-T1471 PolarHBondContact O-N 3.35Å; T1471-C1474 PolarHBondContact O-N 3.35Å; T1471-Q1475 WeakPolarHBondContact O-CG 3.44Å; T1471-Q1475 PolarHBondContact O-N 3.2Å |
| 1472 | Q | 49.5 | Very low | 45.5 | Very low | 108 Ų | 108 | 74.5 Ų | 74.5 | 51% | 0.505 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 177.3 | -167.5 | 171.9 | 10.2 | 0 | 0 | 111.6 | Q1468 Q1469 Y1470 Q1475 I1476 | Q1468-Q1472 WeakPolarHBondContact O-CB 3.42Å; Q1468-Q1472 PolarHBondContact O-N 2.96Å; Q1469-Q1472 PolarHBondContact O-N 3.26Å; Y1470-Q1472 VanDerWaalsContact C-N 3.33Å; Y1470-Q1472 PolarHBondContact O-N 3.42Å; Q1472-Q1475 WeakPolarHBondContact O-CB 3.46Å; Q1472-Q1475 PolarHBondContact O-N 3Å; Q1472-I1476 HydrophobicContact CG-CD1 4.44Å; Q1472-I1476 WeakPolarHBondContact O-CG1 3.26Å; Q1472-I1476 PolarHBondContact O-N 3.14Å |
| 1473 | T | 44.6 | Very low | 45 | Very low | 20 Ų | 20 | 77.8 Ų | 77.8 | 12% | 0.123 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 174 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | L1444 Q1469 Y1470 Q1475 I1476 I1477 | L1444-T1473 HydrophobicContact CD2-CG2 3.97Å; L1444-T1473 HydrophobicContact CG-CG2 4.05Å; Q1469-T1473 WeakPolarHBondContact O-CB 3.43Å; Q1469-T1473 PolarHBondContact O-N 2.96Å; Q1469-T1473 PolarHBondContact O-OG1 3.13Å; Y1470-T1473 PolarHBondContact O-N 2.91Å; T1473-Q1475 VanDerWaalsContact C-N 3.32Å; T1473-Q1475 PolarHBondContact O-N 3.39Å; T1473-I1476 PolarHBondContact O-N 3.23Å; T1473-I1477 HydrophobicContact CG2-CD1 3.99Å; T1473-I1477 WeakPolarHBondContact O-CG1 3.44Å; T1473-I1477 PolarHBondContact O-N 3Å |
| 1474 | C | 45.3 | Very low | 44.7 | Very low | 37 Ų | 37 | 79 Ų | 79 | 25% | 0.25 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 171.6 | -69.9 | 0 | 0 | 0 | 0 | 112.3 | Y1470 T1471 I1477 L1478 | Y1470-C1474 VanDerWaalsContact CE1-SG 3.59Å; Y1470-C1474 VanDerWaalsContact CZ-SG 3.6Å; Y1470-C1474 PolarHBondContact O-N 2.7Å; Y1470-C1474 PolarHBondContact O-SG 3.5Å; T1471-C1474 PolarHBondContact O-N 3.35Å; C1474-I1477 PolarHBondContact O-N 3.39Å; C1474-L1478 VanDerWaalsContact O-CB 3.25Å; C1474-L1478 WeakPolarHBondContact O-CB 3.4Å; C1474-L1478 WeakPolarHBondContact O-CD1 3.32Å; C1474-L1478 WeakPolarHBondContact O-CG 3.29Å; C1474-L1478 PolarHBondContact O-N 3.16Å |
| 1475 | Q | 48 | Very low | 44.5 | Very low | 121 Ų | 121 | 78.9 Ų | 78.9 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.1 | -41.5 | 173.6 | -80.2 | -176.2 | -19.3 | 0 | 0 | 112.5 | T1471 Q1472 T1473 L1478 T1479 | T1471-Q1475 WeakPolarHBondContact O-CG 3.44Å; T1471-Q1475 PolarHBondContact O-N 3.2Å; Q1472-Q1475 WeakPolarHBondContact O-CB 3.46Å; Q1472-Q1475 PolarHBondContact O-N 3Å; T1473-Q1475 VanDerWaalsContact C-N 3.32Å; T1473-Q1475 PolarHBondContact O-N 3.39Å; Q1475-L1478 PolarHBondContact O-N 3.34Å; Q1475-T1479 VanDerWaalsContact O-CB 3.31Å; Q1475-T1479 WeakPolarHBondContact O-CB 3.3Å; Q1475-T1479 PolarHBondContact O-N 3.44Å; Q1475-T1479 PolarHBondContact O-OG1 3.46Å |
| 1476 | I | 46.7 | Very low | 44.5 | Very low | 66 Ų | 66 | 75.6 Ų | 75.6 | 34% | 0.338 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 176.9 | -67.6 | 161.7 | 0 | 0 | 0 | 110.6 | L1444 Q1472 T1473 T1479 K1480 | L1444-I1476 HydrophobicContact CD2-CB 4.06Å; L1444-I1476 HydrophobicContact CD2-CG2 3.58Å; Q1472-I1476 HydrophobicContact CG-CD1 4.44Å; Q1472-I1476 WeakPolarHBondContact O-CG1 3.26Å; Q1472-I1476 PolarHBondContact O-N 3.14Å; T1473-I1476 PolarHBondContact O-N 3.23Å; I1476-T1479 PolarHBondContact O-N 2.96Å; I1476-K1480 HydrophobicContact CG2-CD 4.49Å; I1476-K1480 WeakPolarHBondContact O-CB 3.34Å; I1476-K1480 PolarHBondContact O-N 3.27Å |
| 1477 | I | 46.8 | Very low | 44.7 | Very low | 21 Ų | 21 | 76.9 Ų | 76.9 | 11% | 0.108 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 175.6 | -68.3 | 168.3 | 0 | 0 | 0 | 110.6 | I1403 L1441 L1444 I1445 T1473 C1474 T1479 K1480 L1481 | I1403-I1477 HydrophobicContact CD1-CG2 4.24Å; L1441-I1477 HydrophobicContact CD1-CG1 4.44Å; L1444-I1477 HydrophobicContact CD2-CG1 4.12Å; I1445-I1477 HydrophobicContact CG1-CD1 4.46Å; T1473-I1477 HydrophobicContact CG2-CD1 3.99Å; T1473-I1477 WeakPolarHBondContact O-CG1 3.44Å; T1473-I1477 PolarHBondContact O-N 3Å; C1474-I1477 PolarHBondContact O-N 3.39Å; I1477-T1479 VanDerWaalsContact C-N 3.3Å; I1477-T1479 PolarHBondContact O-N 3.23Å; I1477-K1480 CarbonylContact O-C 3.58Å; I1477-K1480 PolarHBondContact O-N 3.17Å; I1477-L1481 HydrophobicContact CG2-CD1 3.66Å; I1477-L1481 HydrophobicContact CG2-CG 4.44Å; I1477-L1481 WeakPolarHBondContact O-CB 3.17Å; I1477-L1481 VanDerWaalsContact O-CG 3.27Å; I1477-L1481 WeakPolarHBondContact O-CG 3.26Å; I1477-L1481 PolarHBondContact O-N 3.48Å |
| 1478 | L | 45.1 | Very low | 44.6 | Very low | 25 Ų | 25 | 75.9 Ų | 75.9 | 13% | 0.131 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.3 | -38.1 | 175.6 | -75.8 | 167.3 | 0 | 0 | 0 | 112.3 | I1380 I1388 I1391 C1474 Q1475 L1481 S1482 | I1380-L1478 HydrophobicContact CD1-CD2 4.23Å; I1388-L1478 HydrophobicContact CG1-CD1 4.26Å; I1391-L1478 HydrophobicContact CD1-CD2 3.72Å; C1474-L1478 VanDerWaalsContact O-CB 3.25Å; C1474-L1478 WeakPolarHBondContact O-CB 3.4Å; C1474-L1478 WeakPolarHBondContact O-CD1 3.32Å; C1474-L1478 WeakPolarHBondContact O-CG 3.29Å; C1474-L1478 PolarHBondContact O-N 3.16Å; Q1475-L1478 PolarHBondContact O-N 3.34Å; L1478-L1481 CarbonylContact O-C 3.53Å; L1478-L1481 PolarHBondContact O-N 3.31Å; L1478-S1482 VanDerWaalsContact O-CB 3.3Å; L1478-S1482 WeakPolarHBondContact O-CB 3.25Å; L1478-S1482 PolarHBondContact O-N 3.37Å; L1478-S1482 PolarHBondContact O-OG 3.43Å |
| 1479 | T | 44.4 | Very low | 44.2 | Very low | 74 Ų | 74 | 72.3 Ų | 72.3 | 45% | 0.454 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.1 | -48.2 | 177.1 | -55.3 | 0 | 0 | 0 | 0 | 110.2 | Q1475 I1476 I1477 L1481 S1482 L1483 | Q1475-T1479 VanDerWaalsContact O-CB 3.31Å; Q1475-T1479 WeakPolarHBondContact O-CB 3.3Å; Q1475-T1479 PolarHBondContact O-N 3.44Å; Q1475-T1479 PolarHBondContact O-OG1 3.46Å; I1476-T1479 PolarHBondContact O-N 2.96Å; I1477-T1479 VanDerWaalsContact C-N 3.3Å; I1477-T1479 PolarHBondContact O-N 3.23Å; T1479-L1481 PolarHBondContact O-N 3.04Å; T1479-S1482 WeakPolarHBondContact CA-OG 3.39Å; T1479-S1482 PolarHBondContact O-N 3.07Å; T1479-S1482 PolarHBondContact O-OG 3.13Å; T1479-L1483 HydrophobicContact CG2-CD1 4.04Å; T1479-L1483 PolarHBondContact O-N 3.2Å; T1479-L1483 VanDerWaalsContact O-N 3.11Å |
| 1480 | K | 43.2 | Very low | 44.2 | Very low | 88 Ų | 88 | 71.4 Ų | 71.4 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.6 | -18.1 | 174.6 | -75.2 | -174 | 175.3 | -177.2 | 0 | 114.4 | L1441 I1476 I1477 | L1441-K1480 HydrophobicContact CD1-CD 3.93Å; I1476-K1480 HydrophobicContact CG2-CD 4.49Å; I1476-K1480 WeakPolarHBondContact O-CB 3.34Å; I1476-K1480 PolarHBondContact O-N 3.27Å; I1477-K1480 CarbonylContact O-C 3.58Å; I1477-K1480 PolarHBondContact O-N 3.17Å |
| 1481 | L | 42.9 | Very low | 44.1 | Very low | 50 Ų | 50 | 71.8 Ų | 71.8 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -5.1 | 173.4 | -70.5 | 168.4 | 0 | 0 | 0 | 113.5 | I1377 I1406 I1477 L1478 T1479 | I1377-L1481 HydrophobicContact CD1-CD1 4.2Å; I1377-L1481 HydrophobicContact CG2-CB 4.16Å; I1377-L1481 WeakPolarHBondContact CG2-O 3.45Å; I1406-L1481 HydrophobicContact CD1-CD2 3.75Å; I1477-L1481 HydrophobicContact CG2-CD1 3.66Å; I1477-L1481 HydrophobicContact CG2-CG 4.44Å; I1477-L1481 WeakPolarHBondContact O-CB 3.17Å; I1477-L1481 VanDerWaalsContact O-CG 3.27Å; I1477-L1481 WeakPolarHBondContact O-CG 3.26Å; I1477-L1481 PolarHBondContact O-N 3.48Å; L1478-L1481 CarbonylContact O-C 3.53Å; L1478-L1481 PolarHBondContact O-N 3.31Å; T1479-L1481 PolarHBondContact O-N 3.04Å |
| 1482 | S | 36.9 | Very low | 43.8 | Very low | 74 Ų | 74 | 72.2 Ų | 72.2 | 52% | 0.517 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -14.1 | 178.2 | 72.3 | 0 | 0 | 0 | 0 | 113.9 | L1478 T1479 | L1478-S1482 VanDerWaalsContact O-CB 3.3Å; L1478-S1482 WeakPolarHBondContact O-CB 3.25Å; L1478-S1482 PolarHBondContact O-N 3.37Å; L1478-S1482 PolarHBondContact O-OG 3.43Å; T1479-S1482 WeakPolarHBondContact CA-OG 3.39Å; T1479-S1482 PolarHBondContact O-N 3.07Å; T1479-S1482 PolarHBondContact O-OG 3.13Å |
| 1483 | L | 32.3 | Very low | 43.3 | Very low | 182 Ų | 182 | 68.9 Ų | 68.9 | 95% | 0.953 | 37% | 0.371 | S | S | * | . | trans | -86.4 | 0 | 170.4 | -75.6 | 165.2 | 0 | 0 | 0 | 110.2 | T1479 | T1479-L1483 HydrophobicContact CG2-CD1 4.04Å; T1479-L1483 PolarHBondContact O-N 3.2Å; T1479-L1483 VanDerWaalsContact O-N 3.11Å |
Retrieved 1,483 of 1,483 residues in 1939.2 ms
(Link to these results)