| 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 | 32.6 | Very low | 29 | Very low | 241 Ų | 241 | 159.4 Ų | 159.4 | 100% | 1.187 | 84% | 0.843 | S | S | * | * | 0 | 136.8 | 0 | -74.9 | 171.1 | 154.4 | 0 | 0 | 107.6 | N3 | M1-N3 PolarHBondContact O-N 3.2Š| |||
| 2 | T | 34.2 | Very low | 29.2 | Very low | 140 Ų | 140 | 154.7 Ų | 154.7 | 86% | 0.859 | 83% | 0.829 | S | S | * | * | trans | -58.4 | 111.3 | -156.2 | 32 | 0 | 0 | 0 | 0 | 115.7 | Q4 | T2-Q4 PolarHBondContact O-N 3.39Š| ||
| 3 | N | 31.2 | Very low | 29 | Very low | 164 Ų | 164 | 156.2 Ų | 156.2 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -79.4 | 103.8 | 164.4 | -85.1 | -19.1 | 0 | 0 | 0 | 109.3 | M1 S5 | M1-N3 PolarHBondContact O-N 3.2Å; N3-S5 PolarHBondContact O-N 2.92Å | ||
| 4 | Q | 29.8 | Very low | 28.7 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -67.8 | 106 | 162.8 | -76.4 | 177.8 | -8 | 0 | 0 | 107.7 | T2 Q6 | T2-Q4 PolarHBondContact O-N 3.39Å; Q4-Q6 PolarHBondContact O-N 3.03Å | ||
| 5 | S | 33.9 | Very low | 28.4 | Very low | 106 Ų | 106 | 153.6 Ų | 153.6 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | trans | -63.6 | 104.8 | 171.5 | 35.9 | 0 | 0 | 0 | 0 | 109.2 | N3 I7 | N3-S5 PolarHBondContact O-N 2.92Å; S5-I7 PolarHBondContact O-N 3.02Å; S5-I7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | Q | 27.3 | Very low | 28.3 | Very low | 182 Ų | 182 | 155 Ų | 155 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -58.3 | 111.1 | 163.3 | -69.7 | 178.4 | -12.4 | 0 | 0 | 107.6 | Q4 E8 | Q4-Q6 PolarHBondContact O-N 3.03Å; Q6-E8 PolarHBondContact O-N 3.32Å | ||
| 7 | I | 27.1 | Very low | 28.1 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | -78 | 97.4 | 172.6 | -63 | 168.3 | 0 | 0 | 0 | 105.5 | S5 | S5-I7 PolarHBondContact O-N 3.02Å; S5-I7 VanDerWaalsContact O-N 3.12Å | ||
| 8 | E | 25.8 | Very low | 27.9 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 77% | 0.771 | 81% | 0.813 | S | S | * | * | trans | -62.3 | 136.6 | 168.1 | -76 | -171.3 | 158.4 | 0 | 0 | 109.8 | Q6 I10 | Q6-E8 PolarHBondContact O-N 3.32Å; E8-I10 PolarHBondContact O-N 2.74Å | ||
| 9 | P | 26.7 | Very low | 27.8 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -67.4 | 120.6 | -179.1 | 25.4 | -31.2 | 0 | 0 | 0 | 110.6 | D11 | P9-D11 PolarHBondContact O-N 2.93Å; P9-D11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | I | 25.5 | Very low | 27.6 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | trans | -66.5 | 109.6 | 173.7 | -61 | 167.6 | 0 | 0 | 0 | 107.8 | E8 P12 | E8-I10 PolarHBondContact O-N 2.74Å; I10-P12 VanDerWaalsContact O-CD 3.29Å; I10-P12 WeakPolarHBondContact O-CD 3.2Å | ||
| 11 | D | 24.7 | Very low | 27.3 | Very low | 128 Ų | 128 | 150 Ų | 150 | 68% | 0.684 | 82% | 0.815 | S | S | * | * | trans | -64.9 | 113.2 | 174.5 | -153.7 | -6.5 | 0 | 0 | 0 | 109.1 | P9 F13 | P9-D11 PolarHBondContact O-N 2.93Å; P9-D11 VanDerWaalsContact O-N 3.16Å; D11-F13 PolarHBondContact O-N 2.85Å | ||
| 12 | P | 31.7 | Very low | 26.9 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -77 | -1.3 | -167.7 | 29.4 | -33.6 | 0 | 0 | 0 | 114 | I10 G14 | I10-P12 VanDerWaalsContact O-CD 3.29Å; I10-P12 WeakPolarHBondContact O-CD 3.2Å; P12-G14 VanDerWaalsContact C-N 3.33Å; P12-G14 PolarHBondContact O-N 3.46Å |
| 13 | F | 26.2 | Very low | 26.3 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 77% | 0.768 | 79% | 0.791 | S | S | * | * | trans | -97.8 | 39 | -178.4 | -58.2 | -74.8 | 0 | 0 | 0 | 112.8 | D11 K15 | D11-F13 PolarHBondContact O-N 2.85Å; F13-K15 PolarHBondContact O-N 2.9Å | ||
| 14 | G | 25 | Very low | 25.9 | Very low | 64 Ų | 64 | 142 Ų | 142 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | trans | -49.7 | 110.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P12 L16 | P12-G14 VanDerWaalsContact C-N 3.33Å; P12-G14 PolarHBondContact O-N 3.46Å; G14-L16 PolarHBondContact O-N 3.38Å; G14-L16 VanDerWaalsContact O-N 3.07Å | ||
| 15 | K | 24.5 | Very low | 25.7 | Very low | 209 Ų | 209 | 140.7 Ų | 140.7 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -25.2 | 101.7 | -178.5 | -66 | 175.2 | 178.8 | 178.1 | 0 | 113.5 | F13 G17 | F13-K15 PolarHBondContact O-N 2.9Å; K15-G17 PolarHBondContact O-N 3.39Å | ||
| 16 | L | 26.6 | Very low | 25.1 | Very low | 176 Ų | 176 | 138 Ų | 138 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66 | 118 | 168.1 | -76.9 | 155.5 | 0 | 0 | 0 | 108.5 | G14 | G14-L16 PolarHBondContact O-N 3.38Å; G14-L16 VanDerWaalsContact O-N 3.07Å |
| 17 | G | 24.2 | Very low | 25 | Very low | 59 Ų | 59 | 137.2 Ų | 137.2 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 156.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K15 | K15-G17 PolarHBondContact O-N 3.39Š|
| 18 | P | 25.7 | Very low | 24.8 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 128.2 | -169.9 | 28 | -32.9 | 0 | 0 | 0 | 112.6 | ||
| 19 | C | 25.3 | Very low | 24.6 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 125.2 | 175.1 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | H21 | C19-H21 PolarHBondContact O-N 3.41Š|
| 20 | H | 23.2 | Very low | 24.3 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 88% | 0.884 | 78% | 0.782 | S | S | * | * | trans | -66.9 | 116 | 174.4 | -89.6 | -90.8 | 0 | 0 | 0 | 110.7 | A22 | H20-A22 PolarHBondContact O-N 2.76Š| ||
| 21 | H | 22.8 | Very low | 24.2 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | -73.9 | 102.4 | 172.4 | -71.9 | -81.3 | 0 | 0 | 0 | 110.2 | C19 | C19-H21 PolarHBondContact O-N 3.41Š| ||
| 22 | A | 22.9 | Very low | 24 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -96.7 | 100.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108 | H20 N24 | H20-A22 PolarHBondContact O-N 2.76Å; A22-N24 PolarHBondContact O-N 3Å | ||
| 23 | V | 22.3 | Very low | 23.6 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | trans | -68.3 | 118.3 | 172.6 | 176.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 24 | N | 23.3 | Very low | 23.5 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -150.3 | 123.6 | 150.8 | -96.6 | -27.8 | 0 | 0 | 0 | 108.1 | A22 | A22-N24 PolarHBondContact O-N 3Š| ||
| 25 | D | 24.6 | Very low | 23.4 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -57.7 | 137.3 | -174.1 | -63.4 | -58.8 | 0 | 0 | 0 | 112.7 | ||||
| 26 | G | 21.1 | Very low | 23.4 | Very low | 50 Ų | 50 | 143.6 Ų | 143.6 | 52% | 0.515 | 79% | 0.785 | S | S | . | * | S | Bend | trans | 105.4 | 76.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | W28 | G26-W28 PolarHBondContact O-N 3.43Š|
| 27 | D | 24.8 | Very low | 23.3 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | 48.1 | 69.1 | 144.6 | -59.4 | -24.2 | 0 | 0 | 0 | 117.7 | ||||
| 28 | W | 22.9 | Very low | 23.3 | Very low | 229 Ų | 229 | 145.8 Ų | 145.8 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -120.8 | 97 | 158.7 | -71.6 | 76.9 | 0 | 0 | 0 | 110.6 | G26 S30 | G26-W28 PolarHBondContact O-N 3.43Å; W28-S30 PolarHBondContact O-N 3.28Å | ||
| 29 | F | 22.5 | Very low | 23.3 | Very low | 210 Ų | 210 | 145 Ų | 145 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -66.5 | 72.2 | 148.5 | -88.6 | -92.5 | 0 | 0 | 0 | 108 | L31 | F29-L31 PolarHBondContact O-N 2.97Š| ||
| 30 | S | 21 | Very low | 23.2 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | trans | -74.8 | 79.6 | 165.1 | -155.8 | 0 | 0 | 0 | 0 | 106.6 | W28 C32 | W28-S30 PolarHBondContact O-N 3.28Å; S30-C32 PolarHBondContact O-N 3.41Å | ||
| 31 | L | 23.5 | Very low | 23.4 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | trans | -58 | 107 | 171.2 | -171.1 | 75.3 | 0 | 0 | 0 | 106 | F29 M33 | F29-L31 PolarHBondContact O-N 2.97Å; L31-M33 HydrophobicContact CD2-CG 3.94Å; L31-M33 HydrophobicContact CD2-SD 4.27Å; L31-M33 HydrophobicContact CG-CG 4.24Å; L31-M33 PolarHBondContact O-N 3.38Å | ||
| 32 | C | 20.9 | Very low | 23.7 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | trans | -59 | 74.3 | 168.5 | -75.3 | 0 | 0 | 0 | 0 | 109.4 | S30 L34 | S30-C32 PolarHBondContact O-N 3.41Å; C32-L34 VanDerWaalsContact C-N 3.33Å; C32-L34 PolarHBondContact O-N 3.4Å | ||
| 33 | M | 23.3 | Very low | 23.8 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 62% | 0.616 | 75% | 0.752 | S | S | * | * | trans | -67.7 | 101.1 | 161.6 | -73.2 | -96.9 | -77.5 | 0 | 0 | 104.5 | L31 H35 | L31-M33 HydrophobicContact CD2-CG 3.94Å; L31-M33 HydrophobicContact CD2-SD 4.27Å; L31-M33 HydrophobicContact CG-CG 4.24Å; L31-M33 PolarHBondContact O-N 3.38Å; M33-H35 PolarHBondContact O-N 2.89Å | ||
| 34 | L | 23.2 | Very low | 23.9 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | -50 | 89.3 | 151.6 | -96.4 | 141.3 | 0 | 0 | 0 | 106.4 | C32 H36 | C32-L34 VanDerWaalsContact C-N 3.33Å; C32-L34 PolarHBondContact O-N 3.4Å; L34-H36 PolarHBondContact O-N 3.24Å | ||
| 35 | H | 22 | Very low | 23.9 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | -51.1 | 100 | 160.7 | -111.2 | -98.6 | 0 | 0 | 0 | 104.2 | M33 G37 | M33-H35 PolarHBondContact O-N 2.89Å; H35-G37 PolarHBondContact O-N 3.02Å | ||
| 36 | H | 25.8 | Very low | 24.1 | Very low | 183 Ų | 183 | 142.3 Ų | 142.3 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | trans | -63.3 | 79.4 | 157 | -84.2 | -75.9 | 0 | 0 | 0 | 105.5 | L34 Y38 | L34-H36 PolarHBondContact O-N 3.24Å; H36-Y38 PolarHBondContact O-N 3.48Å | ||
| 37 | G | 23.9 | Very low | 24.2 | Very low | 46 Ų | 46 | 147.4 Ų | 147.4 | 47% | 0.474 | 75% | 0.75 | S | S | . | * | trans | -52.4 | 128.7 | 171 | 0 | 0 | 0 | 0 | 0 | 107.1 | H35 V39 | H35-G37 PolarHBondContact O-N 3.02Å; G37-V39 PolarHBondContact O-N 3.44Å | ||
| 38 | Y | 24.9 | Very low | 24.1 | Very low | 235 Ų | 235 | 145.7 Ų | 145.7 | 92% | 0.922 | 75% | 0.749 | S | S | * | * | trans | -37.2 | 101.1 | 164.7 | -85.2 | -106.1 | 0 | 0 | 0 | 109.4 | H36 D40 | H36-Y38 PolarHBondContact O-N 3.48Å; Y38-D40 VanDerWaalsContact C-N 3.3Å; Y38-D40 PolarHBondContact O-N 3.31Å | ||
| 39 | V | 24.3 | Very low | 24 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | trans | -75.4 | 96.8 | 166.1 | 179.8 | 0 | 0 | 0 | 0 | 104.6 | G37 E41 L44 | G37-V39 PolarHBondContact O-N 3.44Å; V39-E41 PolarHBondContact O-N 3.49Å; V39-L44 HydrophobicContact CG1-CD1 4.09Å | ||
| 40 | D | 24.6 | Very low | 24 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 52% | 0.524 | 74% | 0.742 | S | S | . | * | trans | -57.8 | 105.7 | 172 | -162.3 | -16.1 | 0 | 0 | 0 | 107.4 | Y38 R42 N43 | Y38-D40 VanDerWaalsContact C-N 3.3Å; Y38-D40 PolarHBondContact O-N 3.31Å; D40-R42 PolarHBondContact O-N 2.99Å; D40-R42 IonicContact OD1-NE 3.43Å; D40-R42 PolarHBondContact OD1-NE 2.91Å; D40-N43 PolarHBondContact O-N 3.13Å | ||
| 41 | E | 27.8 | Very low | 24.1 | Very low | 167 Ų | 167 | 148 Ų | 148 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -57.3 | -10.5 | -174.5 | -73.7 | -174.5 | 148 | 0 | 0 | 113.1 | V39 N43 | V39-E41 PolarHBondContact O-N 3.49Å; E41-N43 VanDerWaalsContact C-N 3.32Å; E41-N43 PolarHBondContact O-N 2.9Å |
| 42 | R | 27.8 | Very low | 24 | Very low | 207 Ų | 207 | 150.3 Ų | 150.3 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -73.7 | -14.9 | 179.3 | -72.9 | -174.4 | -85.2 | -169.8 | -5.3 | 115.1 | D40 | D40-R42 PolarHBondContact O-N 2.99Å; D40-R42 IonicContact OD1-NE 3.43Å; D40-R42 PolarHBondContact OD1-NE 2.91Å |
| 43 | N | 25.5 | Very low | 24.1 | Very low | 150 Ų | 150 | 155.2 Ų | 155.2 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -103.7 | 8 | 175.7 | -83.6 | -17.5 | 0 | 0 | 0 | 114.9 | D40 E41 S45 | D40-N43 PolarHBondContact O-N 3.13Å; E41-N43 VanDerWaalsContact C-N 3.32Å; E41-N43 PolarHBondContact O-N 2.9Å; N43-S45 PolarHBondContact O-N 2.69Å |
| 44 | L | 24.5 | Very low | 24.1 | Very low | 131 Ų | 131 | 160.4 Ų | 160.4 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | trans | -79.8 | 48.7 | 165.7 | -84.1 | 146.7 | 0 | 0 | 0 | 110.7 | V39 | V39-L44 HydrophobicContact CG1-CD1 4.09Š| ||
| 45 | S | 23.9 | Very low | 24.2 | Very low | 82 Ų | 82 | 162.4 Ų | 162.4 | 57% | 0.573 | 78% | 0.778 | S | S | * | * | trans | -93.4 | 113.9 | 173.6 | 175.6 | 0 | 0 | 0 | 0 | 108.9 | N43 | N43-S45 PolarHBondContact O-N 2.69Š| ||
| 46 | T | 27.4 | Very low | 24.3 | Very low | 124 Ų | 124 | 165.5 Ų | 165.5 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 92.5 | -9.6 | 151.3 | 59.4 | 0 | 0 | 0 | 0 | 124.3 | ||
| 47 | N | 24.7 | Very low | 24.2 | Very low | 158 Ų | 158 | 160.7 Ų | 160.7 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -131.3 | 34.8 | -175.5 | -96 | -23.7 | 0 | 0 | 0 | 119.7 | ||||
| 48 | C | 22.4 | Very low | 24.3 | Very low | 128 Ų | 128 | 162.2 Ų | 162.2 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | -132.4 | 61.8 | 167 | -82.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 49 | R | 19.8 | Very low | 24.2 | Very low | 239 Ų | 239 | 159.3 Ų | 159.3 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -69 | 123.2 | 151.5 | -96.8 | -179.1 | 172.8 | 178.1 | -1.2 | 108.2 | ||||
| 50 | S | 22.2 | Very low | 24.2 | Very low | 106 Ų | 106 | 163 Ų | 163 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 62.7 | 108.5 | 164 | 66 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 51 | R | 22.9 | Very low | 24.2 | Very low | 236 Ų | 236 | 164.2 Ų | 164.2 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | -175.7 | 103.4 | 118.9 | -99.5 | 170.1 | -177 | -163.4 | 1.4 | 111.3 | |||||
| 52 | Q | 23.2 | Very low | 24.1 | Very low | 174 Ų | 174 | 159.8 Ų | 159.8 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 20.6 | 116 | 143.2 | -70.3 | 168.4 | -25.6 | 0 | 0 | 118.2 | R54 | Q52-R54 PolarHBondContact O-N 2.96Š| ||
| 53 | Y | 22.6 | Very low | 24 | Very low | 229 Ų | 229 | 154.5 Ų | 154.5 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | 31.7 | 72.2 | 145.2 | -63.8 | -85.5 | 0 | 0 | 0 | 116.3 | K55 | Y53-K55 PolarHBondContact O-N 3.39Š| ||
| 54 | R | 23 | Very low | 24 | Very low | 235 Ų | 235 | 153.9 Ų | 153.9 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -66 | 106.4 | 160.6 | -92.5 | -175.7 | 174.7 | 175.4 | -1.6 | 108.4 | Q52 Y56 | Q52-R54 PolarHBondContact O-N 2.96Å; R54-Y56 PolarHBondContact O-N 3.33Å | ||
| 55 | K | 24.9 | Very low | 24 | Very low | 197 Ų | 197 | 154 Ų | 154 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | -43.1 | 118.6 | 164.9 | -76.1 | 172.6 | 174 | 175.1 | 0 | 108.6 | Y53 S57 | Y53-K55 PolarHBondContact O-N 3.39Å; K55-S57 VanDerWaalsContact C-N 3.27Å; K55-S57 PolarHBondContact O-N 3.21Å | ||
| 56 | Y | 24.3 | Very low | 24.2 | Very low | 237 Ų | 237 | 155.1 Ų | 155.1 | 93% | 0.929 | 79% | 0.789 | S | S | * | * | trans | -68.2 | 85.8 | 169.4 | -69.4 | -91 | 0 | 0 | 0 | 108.5 | R54 A58 | R54-Y56 PolarHBondContact O-N 3.33Å; Y56-A58 PolarHBondContact O-N 3.42Å | ||
| 57 | S | 23.1 | Very low | 24.3 | Very low | 83 Ų | 83 | 158.7 Ų | 158.7 | 58% | 0.58 | 80% | 0.797 | S | S | * | * | trans | -79.5 | 100.2 | 161.1 | 49.7 | 0 | 0 | 0 | 0 | 107.2 | K55 H59 | K55-S57 VanDerWaalsContact C-N 3.27Å; K55-S57 PolarHBondContact O-N 3.21Å; S57-H59 PolarHBondContact O-CD2 3.44Å; S57-H59 PolarHBondContact O-N 2.8Å | ||
| 58 | A | 25.7 | Very low | 24.7 | Very low | 77 Ų | 77 | 154.1 Ų | 154.1 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | -64.7 | 101.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y56 F60 | Y56-A58 PolarHBondContact O-N 3.42Å; A58-F60 VanDerWaalsContact C-N 3.35Å; A58-F60 HydrophobicContact CB-CD2 3.89Å; A58-F60 HydrophobicContact CB-CE2 3.85Å; A58-F60 PolarHBondContact O-N 3.11Å | ||
| 59 | H | 23.5 | Very low | 25.1 | Very low | 174 Ų | 174 | 156.1 Ų | 156.1 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -72 | 94.5 | 167.2 | -72.5 | -83.6 | 0 | 0 | 0 | 107.3 | S57 C61 | S57-H59 PolarHBondContact O-CD2 3.44Å; S57-H59 PolarHBondContact O-N 2.8Å; H59-C61 PolarHBondContact O-N 3.46Å | ||
| 60 | F | 24.8 | Very low | 25.9 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | trans | -78.4 | 115.3 | 170.3 | -91 | -91.5 | 0 | 0 | 0 | 108.4 | A58 A62 | A58-F60 VanDerWaalsContact C-N 3.35Å; A58-F60 HydrophobicContact CB-CD2 3.89Å; A58-F60 HydrophobicContact CB-CE2 3.85Å; A58-F60 PolarHBondContact O-N 3.11Å; F60-A62 PolarHBondContact O-N 2.93Å | ||
| 61 | C | 24 | Very low | 26.4 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -74.8 | 112.4 | 165.1 | -155.3 | 0 | 0 | 0 | 0 | 106.8 | H59 | H59-C61 PolarHBondContact O-N 3.46Š| ||
| 62 | A | 25.2 | Very low | 26.8 | Very low | 74 Ų | 74 | 145.2 Ų | 145.2 | 61% | 0.612 | 75% | 0.75 | S | S | * | * | trans | -63.8 | 128.1 | 177 | 0 | 0 | 0 | 0 | 0 | 108.9 | F60 C64 | F60-A62 PolarHBondContact O-N 2.93Å; A62-C64 PolarHBondContact O-N 2.83Å | ||
| 63 | P | 26.7 | Very low | 27.1 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 62% | 0.617 | 73% | 0.733 | S | S | * | * | trans | -64.3 | 129.7 | 171.5 | -12.4 | 25.8 | 0 | 0 | 0 | 108.7 | F65 | P63-F65 VanDerWaalsContact C-N 3.29Å; P63-F65 HydrophobicContact CB-CD2 3.94Å; P63-F65 HydrophobicContact CB-CE2 3.6Å; P63-F65 HydrophobicContact CB-CZ 4.33Å; P63-F65 HydrophobicContact CG-CD2 4.47Å; P63-F65 HydrophobicContact CG-CE2 3.84Å; P63-F65 WeakPolarHBondContact O-CD2 3.34Å; P63-F65 PolarHBondContact O-N 2.8Å | ||
| 64 | C | 24.4 | Very low | 27.4 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 93% | 0.932 | 71% | 0.714 | S | S | * | * | trans | -64.5 | 88 | 174 | -58.1 | 0 | 0 | 0 | 0 | 109.1 | A62 | A62-C64 PolarHBondContact O-N 2.83Š| ||
| 65 | F | 26.4 | Very low | 27.7 | Very low | 132 Ų | 132 | 126 Ų | 126 | 58% | 0.579 | 69% | 0.694 | S | S | * | * | trans | -81.2 | 129.8 | 172.5 | -79.9 | -78.7 | 0 | 0 | 0 | 109.6 | P63 T70 | P63-F65 VanDerWaalsContact C-N 3.29Å; P63-F65 HydrophobicContact CB-CD2 3.94Å; P63-F65 HydrophobicContact CB-CE2 3.6Å; P63-F65 HydrophobicContact CB-CZ 4.33Å; P63-F65 HydrophobicContact CG-CD2 4.47Å; P63-F65 HydrophobicContact CG-CE2 3.84Å; P63-F65 WeakPolarHBondContact O-CD2 3.34Å; P63-F65 PolarHBondContact O-N 2.8Å; F65-T70 HydrophobicContact CB-CG2 4.21Å | ||
| 66 | S | 27.1 | Very low | 28.1 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | trans | -57.1 | 145.9 | 178.1 | 45.3 | 0 | 0 | 0 | 0 | 112 | G68 | S66-G68 PolarHBondContact O-N 3.41Š| ||
| 67 | E | 30.4 | Very low | 28.6 | Very low | 200 Ų | 200 | 118.6 Ų | 118.6 | 94% | 0.935 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.6 | 125.3 | -174.7 | -63.5 | 173.4 | 154.1 | 0 | 0 | 112.8 | ||
| 68 | G | 32.8 | Very low | 28.9 | Very low | 62 Ų | 62 | 120.7 Ų | 120.7 | 64% | 0.639 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 142.3 | -25.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | S66 | S66-G68 PolarHBondContact O-N 3.41Š|
| 69 | H | 30.5 | Very low | 29 | Very low | 169 Ų | 169 | 119.5 Ų | 119.5 | 78% | 0.782 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -130.8 | 16.5 | -176.2 | -72.9 | -55.7 | 0 | 0 | 0 | 115 | T73 | H69-T73 PolarHBondContact O-OG1 3.41Š|
| 70 | T | 37.1 | Very low | 29.3 | Very low | 57 Ų | 57 | 115.2 Ų | 115.2 | 35% | 0.35 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -79 | -35.5 | -162 | 46.9 | 0 | 0 | 0 | 0 | 115 | F65 M74 | F65-T70 HydrophobicContact CB-CG2 4.21Å; T70-M74 PolarHBondContact O-N 2.9Å |
| 71 | E | 32.4 | Very low | 29.6 | Very low | 155 Ų | 155 | 113.7 Ų | 113.7 | 72% | 0.724 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -82 | -49.6 | -166.2 | -64.1 | -173.6 | 166.8 | 0 | 0 | 113.7 | T73 A75 | E71-T73 VanDerWaalsContact C-N 3.33Å; E71-T73 PolarHBondContact O-N 2.94Å; E71-A75 VanDerWaalsContact O-CB 3.31Å; E71-A75 WeakPolarHBondContact O-CB 3.47Å; E71-A75 PolarHBondContact O-N 3.26Å |
| 72 | N | 30.1 | Very low | 29.9 | Very low | 140 Ų | 140 | 112.2 Ų | 112.2 | 75% | 0.749 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.2 | -34 | -176.2 | -73.5 | -20 | 0 | 0 | 0 | 112.6 | A75 F76 | N72-A75 PolarHBondContact O-N 3.14Å; N72-F76 WeakPolarHBondContact O-CB 3.29Å; N72-F76 PolarHBondContact O-N 2.9Å |
| 73 | T | 30.7 | Very low | 30 | Very low | 74 Ų | 74 | 113.4 Ų | 113.4 | 45% | 0.454 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.4 | -44.6 | -178 | -37.3 | 0 | 0 | 0 | 0 | 110.9 | H69 E71 F76 Y77 | H69-T73 PolarHBondContact O-OG1 3.41Å; E71-T73 VanDerWaalsContact C-N 3.33Å; E71-T73 PolarHBondContact O-N 2.94Å; T73-F76 PolarHBondContact O-N 2.87Å; T73-Y77 HydrophobicContact CG2-CD2 4.22Å; T73-Y77 HydrophobicContact CG2-CE2 3.81Å; T73-Y77 WeakPolarHBondContact O-CD2 3.38Å; T73-Y77 PolarHBondContact O-N 3.39Å |
| 74 | M | 29.2 | Very low | 30.3 | Very low | 105 Ų | 105 | 111.9 Ų | 111.9 | 52% | 0.517 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.4 | -45.6 | 171.7 | -85.5 | -151.1 | -52.7 | 0 | 0 | 111.5 | T70 F76 Y77 F78 | T70-M74 PolarHBondContact O-N 2.9Å; M74-F76 VanDerWaalsContact C-N 3.27Å; M74-F76 PolarHBondContact O-N 3.41Å; M74-Y77 PolarHBondContact O-N 2.81Å; M74-F78 HydrophobicContact CB-CD2 4.36Å; M74-F78 WeakPolarHBondContact O-CB 3.49Å; M74-F78 WeakPolarHBondContact O-CD2 3.39Å; M74-F78 PolarHBondContact O-N 3.36Å; M74-F78 HydrophobicContact SD-CE2 4.25Å |
| 75 | A | 28.2 | Very low | 30.5 | Very low | 55 Ų | 55 | 107.9 Ų | 107.9 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59 | -39.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E71 N72 A79 | E71-A75 VanDerWaalsContact O-CB 3.31Å; E71-A75 WeakPolarHBondContact O-CB 3.47Å; E71-A75 PolarHBondContact O-N 3.26Å; N72-A75 PolarHBondContact O-N 3.14Å; A75-A79 WeakPolarHBondContact O-CB 3.34Å; A75-A79 PolarHBondContact O-N 2.66Å |
| 76 | F | 32.7 | Very low | 30.6 | Very low | 120 Ų | 120 | 105.8 Ų | 105.8 | 53% | 0.526 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.6 | -46.7 | 176.2 | -175 | -101.8 | 0 | 0 | 0 | 112.4 | N72 T73 M74 A79 L80 | N72-F76 WeakPolarHBondContact O-CB 3.29Å; N72-F76 PolarHBondContact O-N 2.9Å; T73-F76 PolarHBondContact O-N 2.87Å; M74-F76 VanDerWaalsContact C-N 3.27Å; M74-F76 PolarHBondContact O-N 3.41Å; F76-A79 PolarHBondContact O-N 2.89Å; F76-L80 HydrophobicContact CD1-CD1 3.86Å; F76-L80 HydrophobicContact CE1-CD1 3.23Å; F76-L80 HydrophobicContact CE2-CD1 3.98Å; F76-L80 HydrophobicContact CG-CD1 4.47Å; F76-L80 HydrophobicContact CZ-CD1 3.3Å; F76-L80 WeakPolarHBondContact O-CB 3.5Å; F76-L80 PolarHBondContact O-N 3.5Å |
| 77 | Y | 34.8 | Very low | 30.9 | Very low | 160 Ų | 160 | 104.9 Ų | 104.9 | 63% | 0.627 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.2 | -41.6 | 177.8 | -75.2 | -65 | 0 | 0 | 0 | 112.2 | T73 M74 L80 F81 | T73-Y77 HydrophobicContact CG2-CD2 4.22Å; T73-Y77 HydrophobicContact CG2-CE2 3.81Å; T73-Y77 WeakPolarHBondContact O-CD2 3.38Å; T73-Y77 PolarHBondContact O-N 3.39Å; M74-Y77 PolarHBondContact O-N 2.81Å; Y77-L80 PolarHBondContact O-N 3.04Å; Y77-F81 WeakPolarHBondContact O-CB 3.46Å; Y77-F81 PolarHBondContact O-N 3.35Å |
| 78 | F | 29.9 | Very low | 30.9 | Very low | 126 Ų | 126 | 100.5 Ų | 100.5 | 55% | 0.553 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 175.1 | -86.8 | -70.7 | 0 | 0 | 0 | 112.1 | M74 F81 N82 | M74-F78 HydrophobicContact CB-CD2 4.36Å; M74-F78 WeakPolarHBondContact O-CB 3.49Å; M74-F78 WeakPolarHBondContact O-CD2 3.39Å; M74-F78 PolarHBondContact O-N 3.36Å; M74-F78 HydrophobicContact SD-CE2 4.25Å; F78-F81 PolarHBondContact O-N 3.28Å; F78-N82 VanDerWaalsContact O-CB 3.28Å; F78-N82 WeakPolarHBondContact O-CB 3.39Å; F78-N82 VanDerWaalsContact O-CG 3.26Å; F78-N82 PolarHBondContact O-N 3.35Å; F78-N82 PolarHBondContact O-ND2 2.89Å |
| 79 | A | 27.9 | Very low | 30.8 | Very low | 52 Ų | 52 | 104.3 Ų | 104.3 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A75 F76 F81 N82 V83 | A75-A79 WeakPolarHBondContact O-CB 3.34Å; A75-A79 PolarHBondContact O-N 2.66Å; F76-A79 PolarHBondContact O-N 2.89Å; A79-F81 VanDerWaalsContact C-N 3.33Å; A79-F81 PolarHBondContact O-N 3.14Å; A79-N82 PolarHBondContact O-N 3.02Å; A79-V83 WeakPolarHBondContact O-CB 3.42Å; A79-V83 VanDerWaalsContact O-CG2 3.23Å; A79-V83 WeakPolarHBondContact O-CG2 3.33Å; A79-V83 PolarHBondContact O-N 3.06Å |
| 80 | L | 30.8 | Very low | 30.8 | Very low | 84 Ų | 84 | 100.9 Ų | 100.9 | 44% | 0.44 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 175.8 | -113.6 | 137.7 | 0 | 0 | 0 | 112 | F76 Y77 T84 | F76-L80 HydrophobicContact CD1-CD1 3.86Å; F76-L80 HydrophobicContact CE1-CD1 3.23Å; F76-L80 HydrophobicContact CE2-CD1 3.98Å; F76-L80 HydrophobicContact CG-CD1 4.47Å; F76-L80 HydrophobicContact CZ-CD1 3.3Å; F76-L80 WeakPolarHBondContact O-CB 3.5Å; F76-L80 PolarHBondContact O-N 3.5Å; Y77-L80 PolarHBondContact O-N 3.04Å; L80-T84 WeakPolarHBondContact O-CB 3.44Å; L80-T84 VanDerWaalsContact O-CG2 3.24Å; L80-T84 WeakPolarHBondContact O-CG2 3.37Å; L80-T84 PolarHBondContact O-N 3.4Å; L80-T84 VanDerWaalsContact O-N 3.11Å; L80-T84 PolarHBondContact O-OG1 3.11Å |
| 81 | F | 30.7 | Very low | 30.6 | Very low | 158 Ų | 158 | 105.6 Ų | 105.6 | 69% | 0.693 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.5 | -35.5 | 179 | -124.3 | -86.5 | 0 | 0 | 0 | 112.9 | Y77 F78 A79 T84 S85 | Y77-F81 WeakPolarHBondContact O-CB 3.46Å; Y77-F81 PolarHBondContact O-N 3.35Å; F78-F81 PolarHBondContact O-N 3.28Å; A79-F81 VanDerWaalsContact C-N 3.33Å; A79-F81 PolarHBondContact O-N 3.14Å; F81-T84 WeakPolarHBondContact CA-OG1 3.37Å; F81-T84 PolarHBondContact O-OG1 2.82Å; F81-T84 VanDerWaalsContact O-OG1 3.09Å; F81-S85 VanDerWaalsContact O-CB 3.25Å; F81-S85 WeakPolarHBondContact O-CB 3.44Å; F81-S85 PolarHBondContact O-N 2.97Å; F81-S85 PolarHBondContact O-OG 3.08Å |
| 82 | N | 29 | Very low | 30.6 | Very low | 95 Ų | 95 | 101.7 Ų | 101.7 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.5 | -42.7 | 177.5 | -74.3 | -23 | 0 | 0 | 0 | 111.5 | F78 A79 T84 S85 V86 | F78-N82 VanDerWaalsContact O-CB 3.28Å; F78-N82 WeakPolarHBondContact O-CB 3.39Å; F78-N82 VanDerWaalsContact O-CG 3.26Å; F78-N82 PolarHBondContact O-N 3.35Å; F78-N82 PolarHBondContact O-ND2 2.89Å; A79-N82 PolarHBondContact O-N 3.02Å; N82-T84 VanDerWaalsContact C-N 3.33Å; N82-T84 PolarHBondContact O-N 2.79Å; N82-S85 PolarHBondContact O-N 3.44Å; N82-S85 PolarHBondContact O-OG 3.47Å; N82-V86 VanDerWaalsContact O-CG2 3.3Å; N82-V86 WeakPolarHBondContact O-CG2 3.44Å; N82-V86 PolarHBondContact O-N 3.49Å |
| 83 | V | 29.1 | Very low | 30.7 | Very low | 99 Ų | 99 | 101.7 Ų | 101.7 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -40.8 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | A79 N87 | A79-V83 WeakPolarHBondContact O-CB 3.42Å; A79-V83 VanDerWaalsContact O-CG2 3.23Å; A79-V83 WeakPolarHBondContact O-CG2 3.33Å; A79-V83 PolarHBondContact O-N 3.06Å; V83-N87 VanDerWaalsContact O-CB 3.3Å; V83-N87 WeakPolarHBondContact O-CB 3.44Å; V83-N87 PolarHBondContact O-N 2.79Å |
| 84 | T | 31.5 | Very low | 30.8 | Very low | 63 Ų | 63 | 107.4 Ų | 107.4 | 39% | 0.387 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.2 | -37.6 | 178.2 | 51.3 | 0 | 0 | 0 | 0 | 113 | L80 F81 N82 L88 | L80-T84 WeakPolarHBondContact O-CB 3.44Å; L80-T84 VanDerWaalsContact O-CG2 3.24Å; L80-T84 WeakPolarHBondContact O-CG2 3.37Å; L80-T84 PolarHBondContact O-N 3.4Å; L80-T84 VanDerWaalsContact O-N 3.11Å; L80-T84 PolarHBondContact O-OG1 3.11Å; F81-T84 WeakPolarHBondContact CA-OG1 3.37Å; F81-T84 PolarHBondContact O-OG1 2.82Å; F81-T84 VanDerWaalsContact O-OG1 3.09Å; N82-T84 VanDerWaalsContact C-N 3.33Å; N82-T84 PolarHBondContact O-N 2.79Å; T84-L88 VanDerWaalsContact O-CB 3.31Å; T84-L88 WeakPolarHBondContact O-CB 3.42Å; T84-L88 WeakPolarHBondContact O-CD1 3.33Å; T84-L88 WeakPolarHBondContact O-CG 3.43Å; T84-L88 PolarHBondContact O-N 2.92Å |
| 85 | S | 29.2 | Very low | 30.7 | Very low | 54 Ų | 54 | 108.3 Ų | 108.3 | 38% | 0.378 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.2 | -38.3 | -178.7 | 61 | 0 | 0 | 0 | 0 | 113.5 | F81 N82 K89 | F81-S85 VanDerWaalsContact O-CB 3.25Å; F81-S85 WeakPolarHBondContact O-CB 3.44Å; F81-S85 PolarHBondContact O-N 2.97Å; F81-S85 PolarHBondContact O-OG 3.08Å; N82-S85 PolarHBondContact O-N 3.44Å; N82-S85 PolarHBondContact O-OG 3.47Å; S85-K89 WeakPolarHBondContact O-CB 3.38Å; S85-K89 PolarHBondContact O-N 2.84Å |
| 86 | V | 29.1 | Very low | 30.8 | Very low | 88 Ų | 88 | 111.3 Ų | 111.3 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 176.2 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | N82 L88 K89 E90 | N82-V86 VanDerWaalsContact O-CG2 3.3Å; N82-V86 WeakPolarHBondContact O-CG2 3.44Å; N82-V86 PolarHBondContact O-N 3.49Å; V86-L88 PolarHBondContact O-N 3.07Å; V86-K89 PolarHBondContact O-N 2.68Å; V86-K89 VanDerWaalsContact O-N 3.15Å; V86-E90 PolarHBondContact O-N 3.31Å |
| 87 | N | 32 | Very low | 30.7 | Very low | 87 Ų | 87 | 113.5 Ų | 113.5 | 47% | 0.465 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.5 | -33.2 | -179.3 | -142.7 | -18.4 | 0 | 0 | 0 | 112 | V83 R91 | V83-N87 VanDerWaalsContact O-CB 3.3Å; V83-N87 WeakPolarHBondContact O-CB 3.44Å; V83-N87 PolarHBondContact O-N 2.79Å; N87-R91 VanDerWaalsContact O-CB 3.32Å; N87-R91 WeakPolarHBondContact O-CB 3.28Å; N87-R91 PolarHBondContact O-N 2.88Å |
| 88 | L | 30.9 | Very low | 30.6 | Very low | 107 Ų | 107 | 110 Ų | 110 | 56% | 0.56 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.6 | -40.7 | 169.8 | -84.2 | 162.5 | 0 | 0 | 0 | 112 | T84 V86 R91 V92 | T84-L88 VanDerWaalsContact O-CB 3.31Å; T84-L88 WeakPolarHBondContact O-CB 3.42Å; T84-L88 WeakPolarHBondContact O-CD1 3.33Å; T84-L88 WeakPolarHBondContact O-CG 3.43Å; T84-L88 PolarHBondContact O-N 2.92Å; V86-L88 PolarHBondContact O-N 3.07Å; L88-R91 PolarHBondContact O-N 2.86Å; L88-V92 WeakPolarHBondContact O-CB 3.26Å; L88-V92 WeakPolarHBondContact O-CG2 3.38Å; L88-V92 PolarHBondContact O-N 2.89Å |
| 89 | K | 31.5 | Very low | 30.9 | Very low | 143 Ų | 143 | 112.6 Ų | 112.6 | 62% | 0.622 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.2 | -43 | 180 | -162.4 | 178.5 | -179.6 | -172 | 0 | 111.5 | S85 V86 Q93 | S85-K89 WeakPolarHBondContact O-CB 3.38Å; S85-K89 PolarHBondContact O-N 2.84Å; V86-K89 PolarHBondContact O-N 2.68Å; V86-K89 VanDerWaalsContact O-N 3.15Å; K89-Q93 WeakPolarHBondContact O-CB 3.13Å; K89-Q93 WeakPolarHBondContact O-CG 3.49Å; K89-Q93 PolarHBondContact O-N 3.34Å |
| 90 | E | 30.6 | Very low | 31.4 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 45% | 0.449 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.2 | -41.6 | 174 | -81.4 | -161.9 | 136 | 0 | 0 | 112.6 | V86 Q93 R94 | V86-E90 PolarHBondContact O-N 3.31Å; E90-Q93 PolarHBondContact O-N 3.2Å; E90-R94 PolarHBondContact O-N 3.43Å |
| 91 | R | 31.6 | Very low | 31.5 | Very low | 156 Ų | 156 | 114.9 Ų | 114.9 | 59% | 0.589 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.6 | -34.2 | 177.7 | -91.2 | 179.5 | 156.7 | 171.7 | -3.7 | 113.4 | N87 L88 M95 | N87-R91 VanDerWaalsContact O-CB 3.32Å; N87-R91 WeakPolarHBondContact O-CB 3.28Å; N87-R91 PolarHBondContact O-N 2.88Å; L88-R91 PolarHBondContact O-N 2.86Å; R91-M95 PolarHBondContact O-N 2.94Å |
| 92 | V | 32.9 | Very low | 31.3 | Very low | 73 Ų | 73 | 112.9 Ų | 112.9 | 44% | 0.442 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.8 | -32 | 175.5 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | L88 | L88-V92 WeakPolarHBondContact O-CB 3.26Å; L88-V92 WeakPolarHBondContact O-CG2 3.38Å; L88-V92 PolarHBondContact O-N 2.89Å |
| 93 | Q | 32.9 | Very low | 31.4 | Very low | 141 Ų | 141 | 117.8 Ų | 117.8 | 66% | 0.659 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.4 | -35.5 | 174.2 | -79 | -175.8 | -16.2 | 0 | 0 | 113.7 | K89 E90 M95 | K89-Q93 WeakPolarHBondContact O-CB 3.13Å; K89-Q93 WeakPolarHBondContact O-CG 3.49Å; K89-Q93 PolarHBondContact O-N 3.34Å; E90-Q93 PolarHBondContact O-N 3.2Å; Q93-M95 VanDerWaalsContact C-N 3.25Å; Q93-M95 PolarHBondContact O-N 3.09Å |
| 94 | R | 31.5 | Very low | 31.5 | Very low | 194 Ų | 194 | 122.3 Ų | 122.3 | 73% | 0.732 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.9 | -9.9 | 175.5 | -72.2 | -170.7 | -169.5 | 166.2 | 8.8 | 114.2 | E90 D96 | E90-R94 PolarHBondContact O-N 3.43Å; R94-D96 PolarHBondContact O-N 2.86Å |
| 95 | M | 28.7 | Very low | 31.6 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 61% | 0.611 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -74.8 | 80.1 | 160.8 | -99.7 | -171.6 | -67.3 | 0 | 0 | 108.1 | R91 Q93 Y97 | R91-M95 PolarHBondContact O-N 2.94Å; Q93-M95 VanDerWaalsContact C-N 3.25Å; Q93-M95 PolarHBondContact O-N 3.09Å; M95-Y97 WeakPolarHBondContact O-CD2 3.44Å; M95-Y97 PolarHBondContact O-N 3.49Å |
| 96 | D | 29.2 | Very low | 31.7 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 63% | 0.631 | 64% | 0.642 | S | S | * | * | trans | -51.7 | 101.2 | 167.8 | -107.3 | -31.8 | 0 | 0 | 0 | 108.8 | R94 T98 Q99 | R94-D96 PolarHBondContact O-N 2.86Å; D96-T98 PolarHBondContact O-N 3.06Å; D96-Q99 PolarHBondContact O-N 2.93Å | ||
| 97 | Y | 31.5 | Very low | 31.7 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 65% | 0.651 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -4.6 | 175.2 | -76 | -92.7 | 0 | 0 | 0 | 112.4 | M95 Q99 I100 | M95-Y97 WeakPolarHBondContact O-CD2 3.44Å; M95-Y97 PolarHBondContact O-N 3.49Å; Y97-Q99 VanDerWaalsContact C-N 3.3Å; Y97-Q99 PolarHBondContact O-N 3.3Å; Y97-I100 HydrophobicContact CD1-CD1 4.15Å; Y97-I100 PolarHBondContact O-N 3.03Å; Y97-I100 VanDerWaalsContact O-N 3.14Å |
| 98 | T | 32.1 | Very low | 32 | Very low | 86 Ų | 86 | 142.3 Ų | 142.3 | 53% | 0.528 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -62.7 | -31.5 | 176.8 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | D96 I100 G101 T102 | D96-T98 PolarHBondContact O-N 3.06Å; T98-I100 VanDerWaalsContact C-N 3.26Å; T98-I100 PolarHBondContact O-N 2.94Å; T98-G101 PolarHBondContact O-N 3.29Å; T98-T102 PolarHBondContact O-OG1 3.05Å |
| 99 | Q | 35.5 | Very low | 32.4 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 85% | 0.846 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -72.7 | -14.6 | 175.2 | -79.8 | -167.7 | 5.9 | 0 | 0 | 114.3 | D96 Y97 G101 | D96-Q99 PolarHBondContact O-N 2.93Å; Y97-Q99 VanDerWaalsContact C-N 3.3Å; Y97-Q99 PolarHBondContact O-N 3.3Å; Q99-G101 VanDerWaalsContact C-N 3.35Å |
| 100 | I | 39.4 | Very low | 32.6 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -84.3 | -16 | 176.1 | -54.5 | 178.9 | 0 | 0 | 0 | 110.8 | Y97 T98 | Y97-I100 HydrophobicContact CD1-CD1 4.15Å; Y97-I100 PolarHBondContact O-N 3.03Å; Y97-I100 VanDerWaalsContact O-N 3.14Å; T98-I100 VanDerWaalsContact C-N 3.26Å; T98-I100 PolarHBondContact O-N 2.94Å |
| 101 | G | 31.5 | Very low | 32.9 | Very low | 51 Ų | 51 | 150.5 Ų | 150.5 | 53% | 0.526 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -105.2 | -21 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | T98 Q99 | T98-G101 PolarHBondContact O-N 3.29Å; Q99-G101 VanDerWaalsContact C-N 3.35Å |
| 102 | T | 27.4 | Very low | 33.2 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -112.3 | 41.6 | -163.3 | 57.2 | 0 | 0 | 0 | 0 | 115.1 | T98 | T98-T102 PolarHBondContact O-OG1 3.05Š| ||
| 103 | Q | 31 | Very low | 33.5 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 93% | 0.93 | 74% | 0.741 | S | S | * | * | trans | -98.6 | 72 | 152 | -84.7 | -171 | 0.3 | 0 | 0 | 109.4 | ||||
| 104 | R | 30.9 | Very low | 33.8 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | -129.1 | 67.6 | 168.3 | -82.9 | -169.9 | 166.7 | -168.3 | -2.4 | 110.1 | ||||
| 105 | R | 34.2 | Very low | 34.1 | Very low | 249 Ų | 249 | 145.7 Ų | 145.7 | 94% | 0.94 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -94.1 | 106.8 | 149.6 | -81.7 | -172.5 | 179 | 176.8 | -0.1 | 107 | ||
| 106 | G | 31.2 | Very low | 34.7 | Very low | 64 Ų | 64 | 150 Ų | 150 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 58.8 | 86.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 107 | H | 30.1 | Very low | 35.4 | Very low | 183 Ų | 183 | 152.7 Ų | 152.7 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | trans | -168.6 | 112.1 | 132.8 | -105.2 | -72.9 | 0 | 0 | 0 | 109 | S109 | H107-S109 PolarHBondContact O-N 3.07Š| ||
| 108 | K | 37.7 | Very low | 35.7 | Very low | 216 Ų | 216 | 155.5 Ų | 155.5 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | trans | -63.6 | 97 | 170.1 | -69.7 | 176.2 | 178.2 | 177.4 | 0 | 108.5 | ||||
| 109 | S | 38.7 | Very low | 36.2 | Very low | 88 Ų | 88 | 156.4 Ų | 156.4 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | trans | -149.6 | 117.5 | 150.8 | 61.9 | 0 | 0 | 0 | 0 | 110 | H107 R111 | H107-S109 PolarHBondContact O-N 3.07Å; S109-R111 VanDerWaalsContact C-N 3.26Å; S109-R111 PolarHBondContact O-N 3.42Å | ||
| 110 | F | 35.4 | Very low | 36.4 | Very low | 208 Ų | 208 | 152.8 Ų | 152.8 | 91% | 0.912 | 76% | 0.756 | S | S | * | * | trans | -70.3 | 80.5 | 172.9 | -91.8 | -102 | 0 | 0 | 0 | 109.5 | ||||
| 111 | R | 36.8 | Very low | 36.6 | Very low | 221 Ų | 221 | 152.1 Ų | 152.1 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -140.5 | 119.2 | 150.5 | -82.2 | -169.9 | 178.6 | 175.8 | 0 | 106.8 | S109 A113 | S109-R111 VanDerWaalsContact C-N 3.26Å; S109-R111 PolarHBondContact O-N 3.42Å; R111-A113 PolarHBondContact O-N 3.33Å |
| 112 | A | 39.5 | Very low | 37 | Very low | 99 Ų | 99 | 155.6 Ų | 155.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -46 | 105.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | K114 | A112-K114 VanDerWaalsContact C-N 3.35Å; A112-K114 PolarHBondContact O-N 3.15Å | ||
| 113 | A | 37.7 | Very low | 37.5 | Very low | 93 Ų | 93 | 152.6 Ų | 152.6 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | -62.8 | 102.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | R111 P115 | R111-A113 PolarHBondContact O-N 3.33Å; A113-P115 WeakPolarHBondContact O-CD 3.23Å | ||
| 114 | K | 39.1 | Very low | 38.1 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 83% | 0.83 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 118.3 | 172.8 | -70.7 | 179.3 | 178.5 | 178.2 | 0 | 106 | A112 R116 | A112-K114 VanDerWaalsContact C-N 3.35Å; A112-K114 PolarHBondContact O-N 3.15Å; K114-R116 PolarHBondContact O-N 3Å; K114-R116 VanDerWaalsContact O-N 3.1Å |
| 115 | P | 38.6 | Very low | 38.9 | Very low | 80 Ų | 80 | 145 Ų | 145 | 52% | 0.519 | 72% | 0.717 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 125.6 | -178.1 | 16.9 | -28.4 | 0 | 0 | 0 | 108.1 | A113 K117 L120 | A113-P115 WeakPolarHBondContact O-CD 3.23Å; P115-K117 PolarHBondContact O-N 3.24Å; P115-L120 HydrophobicContact CG-CD1 4.07Å |
| 116 | R | 41.8 | Very low | 39.1 | Very low | 214 Ų | 214 | 137.1 Ų | 137.1 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 118.9 | -174.5 | -73.4 | 179.2 | 169 | 177.7 | -3.1 | 107.5 | K114 R118 V119 | K114-R116 PolarHBondContact O-N 3Å; K114-R116 VanDerWaalsContact O-N 3.1Å; R116-R118 PolarHBondContact O-N 3.07Å; R116-V119 PolarHBondContact O-N 2.9Å |
| 117 | K | 43.2 | Very low | 39.8 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 77% | 0.765 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -43.2 | -27 | -174.2 | -74.9 | 179.8 | 175.9 | 176.4 | 0 | 114.9 | P115 V119 N121 | P115-K117 PolarHBondContact O-N 3.24Å; K117-V119 PolarHBondContact O-N 3.36Å; K117-N121 PolarHBondContact O-N 3.22Å |
| 118 | R | 39.1 | Very low | 40.8 | Very low | 225 Ų | 225 | 135.4 Ų | 135.4 | 85% | 0.849 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -60.8 | -38.5 | 176.6 | -65.4 | -172.4 | -174.2 | 176.5 | 1.6 | 113.2 | R116 H122 | R116-R118 PolarHBondContact O-N 3.07Å; R118-H122 PolarHBondContact O-N 3.26Å |
| 119 | V | 41.4 | Very low | 41.2 | Very low | 104 Ų | 104 | 130 Ų | 130 | 63% | 0.63 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.9 | -41.4 | -178.3 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | R116 K117 N121 H122 A123 | R116-V119 PolarHBondContact O-N 2.9Å; K117-V119 PolarHBondContact O-N 3.36Å; V119-N121 PolarHBondContact O-N 2.71Å; V119-H122 PolarHBondContact O-N 3.41Å; V119-A123 PolarHBondContact O-N 2.88Å; V119-A123 VanDerWaalsContact O-N 3.16Å |
| 120 | L | 39.1 | Very low | 41.6 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 56% | 0.555 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.4 | -39.6 | 176.8 | -83.5 | 161 | 0 | 0 | 0 | 112.6 | P115 A123 A124 | P115-L120 HydrophobicContact CG-CD1 4.07Å; L120-A123 PolarHBondContact O-N 2.97Å; L120-A124 WeakPolarHBondContact O-CB 3.24Å; L120-A124 PolarHBondContact O-N 3.3Å |
| 121 | N | 45.1 | Very low | 42.2 | Very low | 118 Ų | 118 | 126 Ų | 126 | 63% | 0.631 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.2 | -35.5 | 178.1 | -77.7 | -5.5 | 0 | 0 | 0 | 112.6 | K117 V119 R125 | K117-N121 PolarHBondContact O-N 3.22Å; V119-N121 PolarHBondContact O-N 2.71Å; N121-R125 WeakPolarHBondContact O-CB 3.45Å; N121-R125 PolarHBondContact O-N 3.22Å; N121-R125 VanDerWaalsContact O-N 3.12Å |
| 122 | H | 39.6 | Very low | 42.6 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 57% | 0.574 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66 | -46.6 | 175.8 | -173.5 | -89.7 | 0 | 0 | 0 | 111.1 | R118 V119 A124 R125 M126 | R118-H122 PolarHBondContact O-N 3.26Å; V119-H122 PolarHBondContact O-N 3.41Å; H122-A124 PolarHBondContact O-N 3.25Å; H122-R125 PolarHBondContact O-N 3.47Å; H122-M126 WeakPolarHBondContact O-CG 3.41Å; H122-M126 PolarHBondContact O-N 2.89Å |
| 123 | A | 37.8 | Very low | 43 | Very low | 52 Ų | 52 | 116.5 Ų | 116.5 | 43% | 0.43 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.8 | -44.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V119 L120 R125 M126 V127 | V119-A123 PolarHBondContact O-N 2.88Å; V119-A123 VanDerWaalsContact O-N 3.16Å; L120-A123 PolarHBondContact O-N 2.97Å; A123-R125 VanDerWaalsContact C-N 3.33Å; A123-R125 PolarHBondContact O-N 2.84Å; A123-M126 PolarHBondContact O-N 3.4Å; A123-V127 WeakPolarHBondContact O-CG2 3.5Å; A123-V127 PolarHBondContact O-N 3.04Å |
| 124 | A | 42.6 | Very low | 43.5 | Very low | 53 Ų | 53 | 117.1 Ų | 117.1 | 44% | 0.438 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.7 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L120 H122 V127 E128 | L120-A124 WeakPolarHBondContact O-CB 3.24Å; L120-A124 PolarHBondContact O-N 3.3Å; H122-A124 PolarHBondContact O-N 3.25Å; A124-V127 PolarHBondContact O-N 3.2Å; A124-E128 PolarHBondContact O-N 2.9Å |
| 125 | R | 48.6 | Very low | 43.8 | Very low | 181 Ų | 181 | 116 Ų | 116 | 68% | 0.683 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.8 | -42.4 | 177.7 | -168.7 | 176.9 | 178.6 | -179.1 | -1.6 | 112.2 | N121 H122 A123 V127 E128 E129 | N121-R125 WeakPolarHBondContact O-CB 3.45Å; N121-R125 PolarHBondContact O-N 3.22Å; N121-R125 VanDerWaalsContact O-N 3.12Å; H122-R125 PolarHBondContact O-N 3.47Å; A123-R125 VanDerWaalsContact C-N 3.33Å; A123-R125 PolarHBondContact O-N 2.84Å; R125-V127 VanDerWaalsContact C-N 3.33Å; R125-V127 PolarHBondContact O-N 2.98Å; R125-E128 PolarHBondContact O-N 3.37Å; R125-E129 WeakPolarHBondContact O-CB 3.48Å; R125-E129 PolarHBondContact O-N 3.21Å |
| 126 | M | 38.5 | Very low | 44.2 | Very low | 84 Ų | 84 | 118.8 Ų | 118.8 | 41% | 0.414 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.8 | -38.6 | 175.5 | -68.6 | -61.7 | -65.2 | 0 | 0 | 112.2 | H122 A123 N130 | H122-M126 WeakPolarHBondContact O-CG 3.41Å; H122-M126 PolarHBondContact O-N 2.89Å; A123-M126 PolarHBondContact O-N 3.4Å; M126-N130 WeakPolarHBondContact O-CB 3.3Å; M126-N130 VanDerWaalsContact O-CG 3.31Å; M126-N130 PolarHBondContact O-N 3.02Å; M126-N130 PolarHBondContact O-ND2 3.45Å |
| 127 | V | 45.7 | Very low | 44.3 | Very low | 72 Ų | 72 | 111.6 Ų | 111.6 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | A123 A124 R125 R131 | A123-V127 WeakPolarHBondContact O-CG2 3.5Å; A123-V127 PolarHBondContact O-N 3.04Å; A124-V127 PolarHBondContact O-N 3.2Å; R125-V127 VanDerWaalsContact C-N 3.33Å; R125-V127 PolarHBondContact O-N 2.98Å; V127-R131 WeakPolarHBondContact O-CB 3.38Å; V127-R131 WeakPolarHBondContact O-CG 3.27Å; V127-R131 PolarHBondContact O-N 2.74Å |
| 128 | E | 50.2 | Low | 44.4 | Very low | 138 Ų | 138 | 106 Ų | 106 | 65% | 0.645 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.6 | -42.9 | 176.6 | -76.6 | -175.6 | 167.2 | 0 | 0 | 112.5 | A124 R125 R131 A132 | A124-E128 PolarHBondContact O-N 2.9Å; R125-E128 PolarHBondContact O-N 3.37Å; E128-R131 PolarHBondContact O-N 2.93Å; E128-A132 PolarHBondContact O-N 3.46Å |
| 129 | E | 46 | Very low | 44.8 | Very low | 104 Ų | 104 | 100.1 Ų | 100.1 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 178 | -171.3 | 166.3 | -171.4 | 0 | 0 | 111.6 | R125 R131 A132 N133 | R125-E129 WeakPolarHBondContact O-CB 3.48Å; R125-E129 PolarHBondContact O-N 3.21Å; E129-R131 PolarHBondContact O-N 3.23Å; E129-A132 PolarHBondContact O-N 3.44Å; E129-N133 PolarHBondContact O-N 2.82Å |
| 130 | N | 47.7 | Very low | 44.7 | Very low | 71 Ų | 71 | 100 Ų | 100 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 174 | -76.9 | -20.7 | 0 | 0 | 0 | 112.1 | M126 A132 N133 E134 | M126-N130 WeakPolarHBondContact O-CB 3.3Å; M126-N130 VanDerWaalsContact O-CG 3.31Å; M126-N130 PolarHBondContact O-N 3.02Å; M126-N130 PolarHBondContact O-ND2 3.45Å; N130-A132 VanDerWaalsContact C-N 3.3Å; N130-A132 PolarHBondContact O-N 3Å; N130-N133 PolarHBondContact O-N 3.34Å; N130-E134 WeakPolarHBondContact O-CB 3.09Å; N130-E134 WeakPolarHBondContact O-CG 3.2Å; N130-E134 PolarHBondContact O-N 3.2Å |
| 131 | R | 48.5 | Very low | 44.8 | Very low | 141 Ų | 141 | 100.5 Ų | 100.5 | 53% | 0.532 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 174.2 | -80.5 | 177.8 | 174.8 | 170.6 | 0.4 | 112.4 | V127 E128 E129 R135 | V127-R131 WeakPolarHBondContact O-CB 3.38Å; V127-R131 WeakPolarHBondContact O-CG 3.27Å; V127-R131 PolarHBondContact O-N 2.74Å; E128-R131 PolarHBondContact O-N 2.93Å; E129-R131 PolarHBondContact O-N 3.23Å; R131-R135 WeakPolarHBondContact O-CB 3.35Å; R131-R135 WeakPolarHBondContact O-CG 3.3Å; R131-R135 PolarHBondContact O-N 3.34Å |
| 132 | A | 45.2 | Very low | 44.6 | Very low | 43 Ų | 43 | 101.1 Ų | 101.1 | 36% | 0.355 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E128 E129 N130 R135 K136 | E128-A132 PolarHBondContact O-N 3.46Å; E129-A132 PolarHBondContact O-N 3.44Å; N130-A132 VanDerWaalsContact C-N 3.3Å; N130-A132 PolarHBondContact O-N 3Å; A132-R135 PolarHBondContact O-N 3.11Å; A132-K136 WeakPolarHBondContact O-CG 3.29Å; A132-K136 PolarHBondContact O-N 3.12Å |
| 133 | N | 47.2 | Very low | 44.6 | Very low | 76 Ų | 76 | 98.3 Ų | 98.3 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68 | -39.9 | 176.9 | -71.2 | -19.6 | 0 | 0 | 0 | 112.3 | E129 N130 R135 K136 A137 | E129-N133 PolarHBondContact O-N 2.82Å; N130-N133 PolarHBondContact O-N 3.34Å; N133-R135 PolarHBondContact O-N 3.1Å; N133-K136 PolarHBondContact O-N 3.49Å; N133-A137 WeakPolarHBondContact O-CB 2.99Å; N133-A137 PolarHBondContact O-N 3.42Å |
| 134 | E | 47.6 | Very low | 44.9 | Very low | 106 Ų | 106 | 101.5 Ų | 101.5 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 173 | -74.9 | 170.9 | -176.2 | 0 | 0 | 111.7 | N130 A137 A138 | N130-E134 WeakPolarHBondContact O-CB 3.09Å; N130-E134 WeakPolarHBondContact O-CG 3.2Å; N130-E134 PolarHBondContact O-N 3.2Å; E134-A137 PolarHBondContact O-N 3.44Å; E134-A138 WeakPolarHBondContact O-CB 3.44Å; E134-A138 PolarHBondContact O-N 3.41Å |
| 135 | R | 46 | Very low | 44.6 | Very low | 169 Ų | 169 | 101.7 Ų | 101.7 | 64% | 0.638 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 174.9 | -72.9 | 170.9 | -170.7 | 176.1 | 4.2 | 112.2 | R131 A132 N133 A138 M139 | R131-R135 WeakPolarHBondContact O-CB 3.35Å; R131-R135 WeakPolarHBondContact O-CG 3.3Å; R131-R135 PolarHBondContact O-N 3.34Å; A132-R135 PolarHBondContact O-N 3.11Å; N133-R135 PolarHBondContact O-N 3.1Å; R135-A138 PolarHBondContact O-N 3.42Å; R135-M139 WeakPolarHBondContact O-CB 3.31Å; R135-M139 PolarHBondContact O-N 2.9Å |
| 136 | K | 46.7 | Very low | 44.2 | Very low | 138 Ų | 138 | 96.4 Ų | 96.4 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.1 | -45.4 | 174.2 | -74.8 | 176.2 | -177.7 | 175.2 | 0 | 110.8 | A132 N133 M139 M140 | A132-K136 WeakPolarHBondContact O-CG 3.29Å; A132-K136 PolarHBondContact O-N 3.12Å; N133-K136 PolarHBondContact O-N 3.49Å; K136-M139 PolarHBondContact O-N 3.38Å; K136-M140 WeakPolarHBondContact O-CB 3.3Å; K136-M140 VanDerWaalsContact O-CG 3.26Å; K136-M140 WeakPolarHBondContact O-CG 3.4Å; K136-M140 PolarHBondContact O-N 2.9Å |
| 137 | A | 44.4 | Very low | 44.1 | Very low | 62 Ų | 62 | 96.7 Ų | 96.7 | 51% | 0.512 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N133 E134 M139 M140 H141 | N133-A137 WeakPolarHBondContact O-CB 2.99Å; N133-A137 PolarHBondContact O-N 3.42Å; E134-A137 PolarHBondContact O-N 3.44Å; A137-M139 VanDerWaalsContact C-N 3.35Å; A137-M139 PolarHBondContact O-N 3.47Å; A137-M140 PolarHBondContact O-N 3.18Å; A137-H141 WeakPolarHBondContact O-CB 3.45Å; A137-H141 PolarHBondContact O-N 3.04Å |
| 138 | A | 45.9 | Very low | 43.8 | Very low | 59 Ų | 59 | 98.5 Ų | 98.5 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E134 R135 H141 F142 | E134-A138 WeakPolarHBondContact O-CB 3.44Å; E134-A138 PolarHBondContact O-N 3.41Å; R135-A138 PolarHBondContact O-N 3.42Å; A138-H141 PolarHBondContact O-N 2.83Å; A138-F142 WeakPolarHBondContact O-CB 3.22Å; A138-F142 PolarHBondContact O-N 3.36Å |
| 139 | M | 46.5 | Very low | 43.1 | Very low | 101 Ų | 101 | 95.9 Ų | 95.9 | 50% | 0.498 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 177 | -166.5 | 171.3 | 102.1 | 0 | 0 | 111.9 | R135 K136 A137 F142 L143 M206 | R135-M139 WeakPolarHBondContact O-CB 3.31Å; R135-M139 PolarHBondContact O-N 2.9Å; K136-M139 PolarHBondContact O-N 3.38Å; A137-M139 VanDerWaalsContact C-N 3.35Å; A137-M139 PolarHBondContact O-N 3.47Å; M139-F142 PolarHBondContact O-N 2.84Å; M139-L143 VanDerWaalsContact O-CG 3.31Å; M139-L143 WeakPolarHBondContact O-CG 3.38Å; M139-L143 PolarHBondContact O-N 2.69Å; M139-M206 HydrophobicContact CE-CE 4.37Å |
| 140 | M | 40 | Very low | 42.5 | Very low | 103 Ų | 103 | 98.7 Ų | 98.7 | 51% | 0.507 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 175.1 | -71.8 | -57.9 | -63.5 | 0 | 0 | 111.9 | K136 A137 L143 Q144 | K136-M140 WeakPolarHBondContact O-CB 3.3Å; K136-M140 VanDerWaalsContact O-CG 3.26Å; K136-M140 WeakPolarHBondContact O-CG 3.4Å; K136-M140 PolarHBondContact O-N 2.9Å; A137-M140 PolarHBondContact O-N 3.18Å; M140-L143 PolarHBondContact O-N 3.49Å; M140-L143 HydrophobicContact SD-CD1 4.18Å; M140-Q144 WeakPolarHBondContact O-CG 3.4Å; M140-Q144 PolarHBondContact O-N 3.24Å |
| 141 | H | 42.1 | Very low | 41.7 | Very low | 115 Ų | 115 | 100.6 Ų | 100.6 | 53% | 0.532 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 173.9 | -174.1 | -82 | 0 | 0 | 0 | 111.2 | A137 A138 L143 Q144 S145 | A137-H141 WeakPolarHBondContact O-CB 3.45Å; A137-H141 PolarHBondContact O-N 3.04Å; A138-H141 PolarHBondContact O-N 2.83Å; H141-L143 VanDerWaalsContact C-N 3.34Å; H141-L143 PolarHBondContact O-N 2.65Å; H141-Q144 PolarHBondContact O-N 3.28Å; H141-S145 WeakPolarHBondContact O-CB 3.41Å; H141-S145 PolarHBondContact O-N 2.96Å; H141-S145 PolarHBondContact O-OG 3.14Å; H141-S145 VanDerWaalsContact O-OG 3.12Å |
| 142 | F | 40.4 | Very low | 41 | Very low | 132 Ų | 132 | 100.7 Ų | 100.7 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.1 | -40.1 | 174.8 | -174.5 | -96.6 | 0 | 0 | 0 | 112.5 | A138 M139 Q144 S145 T146 | A138-F142 WeakPolarHBondContact O-CB 3.22Å; A138-F142 PolarHBondContact O-N 3.36Å; M139-F142 PolarHBondContact O-N 2.84Å; F142-Q144 VanDerWaalsContact C-N 3.34Å; F142-S145 WeakPolarHBondContact CA-OG 3.37Å; F142-S145 PolarHBondContact O-OG 3.39Å; F142-S145 VanDerWaalsContact O-OG 3.11Å; F142-T146 HydrophobicContact CD1-CG2 4.26Å; F142-T146 HydrophobicContact CE1-CG2 3.88Å; F142-T146 HydrophobicContact CE2-CG2 4.24Å; F142-T146 HydrophobicContact CZ-CG2 3.87Å; F142-T146 WeakPolarHBondContact O-CB 3.26Å; F142-T146 VanDerWaalsContact O-CG2 3.3Å; F142-T146 WeakPolarHBondContact O-CG2 3.4Å; F142-T146 PolarHBondContact O-N 2.89Å; F142-T146 PolarHBondContact O-OG1 3.32Å |
| 143 | L | 40 | Very low | 40.4 | Very low | 64 Ų | 64 | 107.6 Ų | 107.6 | 34% | 0.335 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.9 | -35.6 | 174.6 | -71.4 | 170.8 | 0 | 0 | 0 | 112.3 | M139 M140 H141 T146 S147 | M139-L143 VanDerWaalsContact O-CG 3.31Å; M139-L143 WeakPolarHBondContact O-CG 3.38Å; M139-L143 PolarHBondContact O-N 2.69Å; M140-L143 PolarHBondContact O-N 3.49Å; M140-L143 HydrophobicContact SD-CD1 4.18Å; H141-L143 VanDerWaalsContact C-N 3.34Å; H141-L143 PolarHBondContact O-N 2.65Å; L143-T146 PolarHBondContact O-OG1 3.05Å; L143-S147 PolarHBondContact O-N 3.08Å |
| 144 | Q | 42.8 | Very low | 39.5 | Very low | 120 Ų | 120 | 110.2 Ų | 110.2 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.6 | -45.9 | 175.1 | -74.9 | 176.1 | -10 | 0 | 0 | 111.8 | M140 H141 F142 T146 S147 | M140-Q144 WeakPolarHBondContact O-CG 3.4Å; M140-Q144 PolarHBondContact O-N 3.24Å; H141-Q144 PolarHBondContact O-N 3.28Å; F142-Q144 VanDerWaalsContact C-N 3.34Å; Q144-T146 VanDerWaalsContact C-N 3.28Å; Q144-T146 PolarHBondContact O-N 3.46Å; Q144-S147 PolarHBondContact O-N 3.46Å; Q144-S147 PolarHBondContact O-OG 3.33Å |
| 145 | S | 37.8 | Very low | 38.9 | Very low | 56 Ų | 56 | 114 Ų | 114 | 39% | 0.392 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.8 | -29.2 | -179.8 | 62.2 | 0 | 0 | 0 | 0 | 112.8 | H141 F142 S147 | H141-S145 WeakPolarHBondContact O-CB 3.41Å; H141-S145 PolarHBondContact O-N 2.96Å; H141-S145 PolarHBondContact O-OG 3.14Å; H141-S145 VanDerWaalsContact O-OG 3.12Å; F142-S145 WeakPolarHBondContact CA-OG 3.37Å; F142-S145 PolarHBondContact O-OG 3.39Å; F142-S145 VanDerWaalsContact O-OG 3.11Å; S145-S147 VanDerWaalsContact C-N 3.27Å |
| 146 | T | 39 | Very low | 38.2 | Very low | 71 Ų | 71 | 116.6 Ų | 116.6 | 44% | 0.436 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.2 | -7.1 | 172.5 | 52 | 0 | 0 | 0 | 0 | 113.6 | F142 L143 Q144 | F142-T146 HydrophobicContact CD1-CG2 4.26Å; F142-T146 HydrophobicContact CE1-CG2 3.88Å; F142-T146 HydrophobicContact CE2-CG2 4.24Å; F142-T146 HydrophobicContact CZ-CG2 3.87Å; F142-T146 WeakPolarHBondContact O-CB 3.26Å; F142-T146 VanDerWaalsContact O-CG2 3.3Å; F142-T146 WeakPolarHBondContact O-CG2 3.4Å; F142-T146 PolarHBondContact O-N 2.89Å; F142-T146 PolarHBondContact O-OG1 3.32Å; L143-T146 PolarHBondContact O-OG1 3.05Å; Q144-T146 VanDerWaalsContact C-N 3.28Å; Q144-T146 PolarHBondContact O-N 3.46Å |
| 147 | S | 37.3 | Very low | 37.6 | Very low | 90 Ų | 90 | 116.4 Ų | 116.4 | 63% | 0.629 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -12.3 | 177.9 | 82.8 | 0 | 0 | 0 | 0 | 114.7 | L143 Q144 S145 | L143-S147 PolarHBondContact O-N 3.08Å; Q144-S147 PolarHBondContact O-N 3.46Å; Q144-S147 PolarHBondContact O-OG 3.33Å; S145-S147 VanDerWaalsContact C-N 3.27Å |
| 148 | T | 38.4 | Very low | 37.1 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -103.4 | 5.4 | -173.8 | 47.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 149 | S | 35 | Very low | 36.4 | Very low | 83 Ų | 83 | 125.2 Ų | 125.2 | 58% | 0.58 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -106.1 | 90.5 | 171.4 | 60.2 | 0 | 0 | 0 | 0 | 109.2 | ||
| 150 | D | 34.3 | Very low | 35.8 | Very low | 162 Ų | 162 | 126.4 Ų | 126.4 | 87% | 0.866 | 68% | 0.679 | S | S | * | * | trans | 172.9 | 40.7 | 150.7 | -82.3 | -16.4 | 0 | 0 | 0 | 111.3 | ||||
| 151 | S | 31 | Very low | 35.4 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | trans | -117.2 | 49.3 | 172.5 | 83.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 152 | T | 34.3 | Very low | 34.8 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | trans | -103 | 73.2 | 151.5 | 45 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 153 | F | 31.2 | Very low | 34.4 | Very low | 188 Ų | 188 | 131.2 Ų | 131.2 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | trans | -130.4 | 100.7 | 169.4 | -150.3 | -94.8 | 0 | 0 | 0 | 109.4 | ||||
| 154 | D | 28.4 | Very low | 34 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | 29.3 | 112.3 | 161.7 | -88.7 | -41.9 | 0 | 0 | 0 | 120.2 | R156 | D154-R156 VanDerWaalsContact C-N 3.29Å; D154-R156 PolarHBondContact O-N 2.94Å | ||
| 155 | M | 35.6 | Very low | 33.4 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -58.6 | 87.4 | 151.4 | -81.4 | -156.5 | 165.6 | 0 | 0 | 110.7 | ||
| 156 | R | 31.2 | Very low | 33.1 | Very low | 224 Ų | 224 | 149.6 Ų | 149.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -178.6 | 84.7 | 158.3 | -100.5 | 157.8 | -169.6 | -155.3 | 5.6 | 106.8 | D154 | D154-R156 VanDerWaalsContact C-N 3.29Å; D154-R156 PolarHBondContact O-N 2.94Å | ||
| 157 | T | 33.7 | Very low | 32.8 | Very low | 134 Ų | 134 | 153 Ų | 153 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | -174.6 | 110.2 | 88.9 | 16.8 | 0 | 0 | 0 | 0 | 105.8 | S159 | T157-S159 PolarHBondContact O-N 3.44Š| |||
| 158 | K | 33.8 | Very low | 32.4 | Very low | 211 Ų | 211 | 151.9 Ų | 151.9 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -66.6 | 85.9 | 167.5 | -68.4 | 177.9 | 179.8 | 176.9 | 0 | 107.4 | P160 | K158-P160 WeakPolarHBondContact O-CD 3.41Š| ||
| 159 | S | 31 | Very low | 32.1 | Very low | 96 Ų | 96 | 154.1 Ų | 154.1 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | trans | -70.7 | 123.4 | 159.5 | 63.1 | 0 | 0 | 0 | 0 | 106.4 | T157 C161 | T157-S159 PolarHBondContact O-N 3.44Å; S159-C161 VanDerWaalsContact C-N 3.26Å; S159-C161 PolarHBondContact O-N 2.85Å | ||
| 160 | P | 35.5 | Very low | 31.9 | Very low | 126 Ų | 126 | 156.9 Ų | 156.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -70.2 | 92 | 179.3 | 27 | -30.4 | 0 | 0 | 0 | 107.4 | K158 A162 | K158-P160 WeakPolarHBondContact O-CD 3.41Å; P160-A162 PolarHBondContact O-N 3.32Å | ||
| 161 | C | 30.8 | Very low | 31.8 | Very low | 121 Ų | 121 | 153.5 Ų | 153.5 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -65 | 103.9 | 173.6 | -147 | 0 | 0 | 0 | 0 | 106.6 | S159 R163 | S159-C161 VanDerWaalsContact C-N 3.26Å; S159-C161 PolarHBondContact O-N 2.85Å; C161-R163 PolarHBondContact O-N 2.85Å; C161-R163 VanDerWaalsContact O-N 3.07Å | ||
| 162 | A | 30.5 | Very low | 31.9 | Very low | 90 Ų | 90 | 154 Ų | 154 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | -49.1 | 117.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P160 K164 | P160-A162 PolarHBondContact O-N 3.32Å; A162-K164 VanDerWaalsContact C-N 3.27Å; A162-K164 PolarHBondContact O-N 3.33Å | ||
| 163 | R | 31.8 | Very low | 31.8 | Very low | 239 Ų | 239 | 156.2 Ų | 156.2 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -62.9 | 90.1 | 177.9 | -156.1 | 175.3 | -172.8 | 171.6 | 1.3 | 107.4 | C161 R165 | C161-R163 PolarHBondContact O-N 2.85Å; C161-R163 VanDerWaalsContact O-N 3.07Å; R163-R165 PolarHBondContact O-N 3.46Å | ||
| 164 | K | 31.3 | Very low | 31.8 | Very low | 194 Ų | 194 | 155.8 Ų | 155.8 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -57.4 | 106.2 | 166.2 | -102.3 | -176.4 | 176.1 | 179.8 | 0 | 106 | A162 F166 | A162-K164 VanDerWaalsContact C-N 3.27Å; A162-K164 PolarHBondContact O-N 3.33Å; K164-F166 VanDerWaalsContact C-N 3.33Å; K164-F166 PolarHBondContact O-N 2.93Å | ||
| 165 | R | 30.2 | Very low | 32 | Very low | 230 Ų | 230 | 154 Ų | 154 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -59.3 | 99.6 | 171.4 | -67.7 | -175.1 | 177.4 | -168.7 | -0.6 | 106.5 | R163 N167 | R163-R165 PolarHBondContact O-N 3.46Å; R165-N167 PolarHBondContact O-N 3.2Å | ||
| 166 | F | 31.4 | Very low | 31.8 | Very low | 203 Ų | 203 | 149.5 Ų | 149.5 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -73.2 | 105.6 | 164.4 | -132.1 | -94.3 | 0 | 0 | 0 | 105 | K164 G168 | K164-F166 VanDerWaalsContact C-N 3.33Å; K164-F166 PolarHBondContact O-N 2.93Å; F166-G168 PolarHBondContact O-N 3.13Å; F166-G168 VanDerWaalsContact O-N 3.08Å | ||
| 167 | N | 32.2 | Very low | 31.9 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | trans | -55.4 | 114.9 | 175 | -81.6 | -12.3 | 0 | 0 | 0 | 107.9 | R165 N169 | R165-N167 PolarHBondContact O-N 3.2Å; N167-N169 PolarHBondContact O-N 3.45Å | ||
| 168 | G | 29.6 | Very low | 31.8 | Very low | 67 Ų | 67 | 145.6 Ų | 145.6 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | -61.8 | 118.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | F166 | F166-G168 PolarHBondContact O-N 3.13Å; F166-G168 VanDerWaalsContact O-N 3.08Å | ||
| 169 | N | 30.4 | Very low | 31.7 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -158.8 | 65.4 | 160 | -89.8 | -13.8 | 0 | 0 | 0 | 106.9 | N167 | N167-N169 PolarHBondContact O-N 3.45Š| ||
| 170 | T | 31.8 | Very low | 31.7 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -133.8 | 85.6 | 161.8 | 7.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 171 | A | 31.4 | Very low | 31.4 | Very low | 90 Ų | 90 | 149.2 Ų | 149.2 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | -57.5 | 144.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | M173 | A171-M173 PolarHBondContact O-N 3.21Å; A171-M173 VanDerWaalsContact O-N 3.12Å | ||
| 172 | P | 33.9 | Very low | 31.3 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -67.4 | 113.4 | -179.1 | 27.5 | -31.2 | 0 | 0 | 0 | 108.8 | E174 | P172-E174 PolarHBondContact O-N 3.2Å; P172-E174 VanDerWaalsContact O-N 3.11Å | ||
| 173 | M | 32.6 | Very low | 31.2 | Very low | 190 Ų | 190 | 155.8 Ų | 155.8 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | trans | -64.5 | 110.1 | 176.3 | -170.5 | 166.2 | 163.8 | 0 | 0 | 108.3 | A171 | A171-M173 PolarHBondContact O-N 3.21Å; A171-M173 VanDerWaalsContact O-N 3.12Å | ||
| 174 | E | 30 | Very low | 31.1 | Very low | 180 Ų | 180 | 149.6 Ų | 149.6 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -53.8 | 139.4 | -179.9 | -72.5 | -178.9 | 145 | 0 | 0 | 111.2 | P172 A176 | P172-E174 PolarHBondContact O-N 3.2Å; P172-E174 VanDerWaalsContact O-N 3.11Å; E174-A176 PolarHBondContact O-N 3.01Å | ||
| 175 | A | 33.5 | Very low | 30.9 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -62 | 98.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L177 | A175-L177 VanDerWaalsContact C-N 3.31Å; A175-L177 PolarHBondContact O-N 3.32Å | ||
| 176 | A | 32 | Very low | 30.9 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -65.1 | 93.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | E174 T178 | E174-A176 PolarHBondContact O-N 3.01Å; A176-T178 PolarHBondContact O-N 3.41Å | ||
| 177 | L | 31.5 | Very low | 30.8 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -62.4 | 102.1 | 153.2 | -83.1 | 140.8 | 0 | 0 | 0 | 107.8 | A175 | A175-L177 VanDerWaalsContact C-N 3.31Å; A175-L177 PolarHBondContact O-N 3.32Å | ||
| 178 | T | 33.4 | Very low | 30.7 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -131.9 | 99.9 | 158.3 | 28.5 | 0 | 0 | 0 | 0 | 107.9 | A176 E180 | A176-T178 PolarHBondContact O-N 3.41Å; T178-E180 PolarHBondContact O-N 3.5Å | ||
| 179 | D | 30.1 | Very low | 30.6 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -53.7 | 87.6 | 153.5 | -84.1 | -44.2 | 0 | 0 | 0 | 108.8 | ||||
| 180 | E | 30.9 | Very low | 30.8 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -116.8 | 91.3 | 160.1 | -76.4 | -94.2 | 112.2 | 0 | 0 | 105.9 | T178 E182 | T178-E180 PolarHBondContact O-N 3.5Å; E180-E182 PolarHBondContact O-N 3.42Å | ||
| 181 | Q | 31 | Very low | 30.9 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -65.6 | 65.5 | 176 | -161.5 | 178.6 | 39.4 | 0 | 0 | 109.4 | Q183 | Q181-Q183 VanDerWaalsContact C-N 3.33Å; Q181-Q183 PolarHBondContact O-N 3.44Å | ||
| 182 | E | 28.5 | Very low | 31.1 | Very low | 175 Ų | 175 | 146 Ų | 146 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -68.9 | 95.3 | 168.6 | -87.2 | -162.8 | 140.2 | 0 | 0 | 108.1 | E180 P184 | E180-E182 PolarHBondContact O-N 3.42Å; E182-P184 WeakPolarHBondContact O-CD 3.41Å; E182-P184 VanDerWaalsContact O-N 3.1Å | ||
| 183 | Q | 27.1 | Very low | 31.2 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -54 | 115.4 | 161.1 | -80.4 | -174.3 | -1.5 | 0 | 0 | 107.6 | Q181 N185 | Q181-Q183 VanDerWaalsContact C-N 3.33Å; Q181-Q183 PolarHBondContact O-N 3.44Å; Q183-N185 PolarHBondContact O-N 2.98Å | ||
| 184 | P | 29.2 | Very low | 31 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | trans | -65.7 | 108.2 | 173.8 | 25.8 | -30.4 | 0 | 0 | 0 | 106.4 | E182 V186 | E182-P184 WeakPolarHBondContact O-CD 3.41Å; E182-P184 VanDerWaalsContact O-N 3.1Å; P184-V186 HydrophobicContact CB-CG2 4.27Å; P184-V186 HydrophobicContact CG-CG2 4.42Å; P184-V186 WeakPolarHBondContact O-CG2 3.32Å; P184-V186 PolarHBondContact O-N 3.25Å | ||
| 185 | N | 28 | Very low | 30.9 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -66 | 84.9 | 168 | -159.7 | -12 | 0 | 0 | 0 | 106.2 | Q183 T187 | Q183-N185 PolarHBondContact O-N 2.98Å; N185-T187 PolarHBondContact O-N 2.88Å | ||
| 186 | V | 30.8 | Very low | 30.8 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | trans | -69 | 79.5 | -178.9 | -174.2 | 0 | 0 | 0 | 0 | 107.2 | P184 H188 | P184-V186 HydrophobicContact CB-CG2 4.27Å; P184-V186 HydrophobicContact CG-CG2 4.42Å; P184-V186 WeakPolarHBondContact O-CG2 3.32Å; P184-V186 PolarHBondContact O-N 3.25Å; V186-H188 PolarHBondContact O-N 3.04Å | ||
| 187 | T | 29 | Very low | 31 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 64% | 0.644 | 72% | 0.722 | S | S | * | * | trans | -54.9 | 124.2 | 159.7 | 42.9 | 0 | 0 | 0 | 0 | 106.4 | N185 R189 | N185-T187 PolarHBondContact O-N 2.88Å; T187-R189 PolarHBondContact O-N 3Å | ||
| 188 | H | 29.4 | Very low | 31 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 84% | 0.838 | 71% | 0.708 | S | S | * | * | trans | -54.9 | 74.5 | 176.5 | -101.3 | -87.1 | 0 | 0 | 0 | 110.5 | V186 K190 | V186-H188 PolarHBondContact O-N 3.04Å; H188-K190 PolarHBondContact O-N 2.83Å | ||
| 189 | R | 28 | Very low | 31.2 | Very low | 235 Ų | 235 | 139.3 Ų | 139.3 | 89% | 0.887 | 70% | 0.698 | S | S | * | * | trans | -70.7 | 89.9 | 163 | -94.5 | -171.5 | 173 | -179.5 | 0.1 | 105.8 | T187 S191 | T187-R189 PolarHBondContact O-N 3Å; R189-S191 PolarHBondContact O-N 3.04Å | ||
| 190 | K | 34.5 | Very low | 31.6 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 82% | 0.817 | 69% | 0.685 | S | S | * | * | trans | -40 | 106.6 | 158.8 | -66 | 174 | -179.1 | 174.5 | 0 | 105.8 | H188 S192 | H188-K190 PolarHBondContact O-N 2.83Å; K190-S192 PolarHBondContact O-N 2.87Å | ||
| 191 | S | 33.7 | Very low | 32 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | trans | -59.6 | 92.2 | 176.6 | 174.4 | 0 | 0 | 0 | 0 | 106.6 | R189 | R189-S191 PolarHBondContact O-N 3.04Š| ||
| 192 | S | 35.2 | Very low | 32.6 | Very low | 81 Ų | 81 | 134.4 Ų | 134.4 | 57% | 0.566 | 67% | 0.668 | S | S | * | * | trans | -70.9 | 139.6 | 179.8 | 68.7 | 0 | 0 | 0 | 0 | 106.4 | K190 G194 F195 | K190-S192 PolarHBondContact O-N 2.87Å; S192-G194 PolarHBondContact O-N 3.38Å; S192-F195 PolarHBondContact O-N 2.83Å | ||
| 193 | R | 36 | Very low | 33.4 | Very low | 212 Ų | 212 | 130.1 Ų | 130.1 | 80% | 0.8 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.9 | -26 | 174.9 | -99.8 | 173.4 | 159.6 | 168.8 | -7.4 | 114.2 | F195 L196 L197 | R193-F195 VanDerWaalsContact C-N 3.31Å; R193-F195 PolarHBondContact O-N 2.71Å; R193-L196 PolarHBondContact O-N 2.78Å; R193-L197 PolarHBondContact O-N 2.73Å |
| 194 | G | 29.7 | Very low | 34.3 | Very low | 34 Ų | 34 | 126.8 Ų | 126.8 | 35% | 0.351 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -57.3 | -34.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S192 L197 L198 | S192-G194 PolarHBondContact O-N 3.38Å; G194-L197 PolarHBondContact O-N 3.48Å; G194-L198 WeakPolarHBondContact O-CG 3.47Å; G194-L198 PolarHBondContact O-N 2.86Å |
| 195 | F | 27.7 | Very low | 35.2 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 63% | 0.627 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.8 | -41.4 | -178.6 | -155.3 | -90.2 | 0 | 0 | 0 | 112 | S192 R193 L197 L198 E199 | S192-F195 PolarHBondContact O-N 2.83Å; R193-F195 VanDerWaalsContact C-N 3.31Å; R193-F195 PolarHBondContact O-N 2.71Å; F195-L197 VanDerWaalsContact C-N 3.34Å; F195-L198 PolarHBondContact O-N 3.31Å; F195-E199 PolarHBondContact O-N 3.35Å; F195-E199 VanDerWaalsContact O-N 3.14Å |
| 196 | L | 32.2 | Very low | 36 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 53% | 0.534 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.8 | -32.8 | 174.5 | -73.1 | 168.1 | 0 | 0 | 0 | 112.3 | R193 K200 | R193-L196 PolarHBondContact O-N 2.78Å; L196-K200 WeakPolarHBondContact O-CG 3.4Å; L196-K200 PolarHBondContact O-N 3.48Å; L196-K200 VanDerWaalsContact O-N 3.13Å |
| 197 | L | 34.3 | Very low | 36.7 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 57% | 0.571 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.4 | -43.5 | 175.5 | -106.6 | 144.8 | 0 | 0 | 0 | 111.9 | R193 G194 F195 E199 K200 M201 | R193-L197 PolarHBondContact O-N 2.73Å; G194-L197 PolarHBondContact O-N 3.48Å; F195-L197 VanDerWaalsContact C-N 3.34Å; L197-E199 VanDerWaalsContact C-N 3.31Å; L197-E199 PolarHBondContact O-N 3.26Å; L197-K200 PolarHBondContact O-N 3.39Å; L197-M201 PolarHBondContact O-N 2.98Å; L197-M201 VanDerWaalsContact O-N 3.1Å |
| 198 | L | 32 | Very low | 37.7 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 56% | 0.555 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.9 | -39.4 | 175 | -77.4 | 164.5 | 0 | 0 | 0 | 111.6 | G194 F195 K202 | G194-L198 WeakPolarHBondContact O-CG 3.47Å; G194-L198 PolarHBondContact O-N 2.86Å; F195-L198 PolarHBondContact O-N 3.31Å; L198-K202 WeakPolarHBondContact O-CB 3.47Å; L198-K202 WeakPolarHBondContact O-CG 3.12Å; L198-K202 PolarHBondContact O-N 3.46Å |
| 199 | E | 38.4 | Very low | 38.4 | Very low | 104 Ų | 104 | 115 Ų | 115 | 49% | 0.486 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.8 | -40.7 | 178.1 | -156.1 | 171.8 | -163.9 | 0 | 0 | 111.9 | F195 L197 K202 I203 | F195-E199 PolarHBondContact O-N 3.35Å; F195-E199 VanDerWaalsContact O-N 3.14Å; L197-E199 VanDerWaalsContact C-N 3.31Å; L197-E199 PolarHBondContact O-N 3.26Å; E199-K202 PolarHBondContact O-N 3.38Å; E199-I203 VanDerWaalsContact O-CG1 3.3Å; E199-I203 WeakPolarHBondContact O-CG1 3.39Å; E199-I203 PolarHBondContact O-N 3.49Å |
| 200 | K | 39.1 | Very low | 39.2 | Very low | 135 Ų | 135 | 109.5 Ų | 109.5 | 59% | 0.587 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.3 | -44.7 | 176.7 | -74.6 | -178.1 | 179.2 | -169.8 | 0 | 113.2 | L196 L197 I203 Y204 | L196-K200 WeakPolarHBondContact O-CG 3.4Å; L196-K200 PolarHBondContact O-N 3.48Å; L196-K200 VanDerWaalsContact O-N 3.13Å; L197-K200 PolarHBondContact O-N 3.39Å; K200-I203 PolarHBondContact O-N 2.84Å; K200-Y204 PolarHBondContact O-N 2.86Å |
| 201 | M | 37.9 | Very low | 39.8 | Very low | 134 Ų | 134 | 104.7 Ų | 104.7 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 176.4 | -86.9 | -166 | 153.1 | 0 | 0 | 111.8 | L197 I203 Y204 E205 | L197-M201 PolarHBondContact O-N 2.98Å; L197-M201 VanDerWaalsContact O-N 3.1Å; M201-I203 PolarHBondContact O-N 3.06Å; M201-Y204 PolarHBondContact O-N 2.97Å; M201-E205 WeakPolarHBondContact O-CG 3.49Å; M201-E205 PolarHBondContact O-N 2.75Å |
| 202 | K | 44.6 | Very low | 40.6 | Very low | 137 Ų | 137 | 107.5 Ų | 107.5 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -40.1 | 175.9 | -77 | 177.7 | 179.4 | -172.2 | 0 | 112.8 | L198 E199 M206 | L198-K202 WeakPolarHBondContact O-CB 3.47Å; L198-K202 WeakPolarHBondContact O-CG 3.12Å; L198-K202 PolarHBondContact O-N 3.46Å; E199-K202 PolarHBondContact O-N 3.38Å; K202-M206 WeakPolarHBondContact O-CB 3.17Å; K202-M206 PolarHBondContact O-N 3.08Å |
| 203 | I | 44.5 | Very low | 41 | Very low | 85 Ų | 85 | 108.9 Ų | 108.9 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 175.9 | -67.4 | 164 | 0 | 0 | 0 | 110.4 | E199 K200 M201 M206 I207 | E199-I203 VanDerWaalsContact O-CG1 3.3Å; E199-I203 WeakPolarHBondContact O-CG1 3.39Å; E199-I203 PolarHBondContact O-N 3.49Å; K200-I203 PolarHBondContact O-N 2.84Å; M201-I203 PolarHBondContact O-N 3.06Å; I203-M206 PolarHBondContact O-N 3.42Å; I203-I207 HydrophobicContact CG2-CD1 3.82Å; I203-I207 HydrophobicContact CG2-CG1 4.46Å; I203-I207 VanDerWaalsContact O-CG1 3.29Å; I203-I207 WeakPolarHBondContact O-CG1 3.32Å; I203-I207 PolarHBondContact O-N 3.06Å |
| 204 | Y | 46.2 | Very low | 41.4 | Very low | 104 Ų | 104 | 104.3 Ų | 104.3 | 41% | 0.408 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 177.2 | -177 | -97.5 | 0 | 0 | 0 | 112 | K200 M201 M206 I207 V208 | K200-Y204 PolarHBondContact O-N 2.86Å; M201-Y204 PolarHBondContact O-N 2.97Å; Y204-M206 VanDerWaalsContact C-N 3.26Å; Y204-M206 PolarHBondContact O-N 3.46Å; Y204-I207 PolarHBondContact O-N 3.01Å; Y204-V208 HydrophobicContact CD1-CG2 4.02Å; Y204-V208 HydrophobicContact CD2-CG2 4.49Å; Y204-V208 HydrophobicContact CE1-CG2 3.59Å; Y204-V208 HydrophobicContact CE2-CG2 4.1Å; Y204-V208 HydrophobicContact CG-CG2 4.46Å; Y204-V208 WeakPolarHBondContact O-CG2 3.41Å; Y204-V208 PolarHBondContact O-N 3.27Å |
| 205 | E | 47.6 | Very low | 42.1 | Very low | 121 Ų | 121 | 105 Ų | 105 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.2 | -38.1 | 175.7 | -76.7 | -176.3 | 165.2 | 0 | 0 | 112 | M201 S209 | M201-E205 WeakPolarHBondContact O-CG 3.49Å; M201-E205 PolarHBondContact O-N 2.75Å; E205-S209 WeakPolarHBondContact O-CB 3.46Å; E205-S209 PolarHBondContact O-N 2.96Å; E205-S209 PolarHBondContact O-OG 3.05Å |
| 206 | M | 45.1 | Very low | 43 | Very low | 101 Ų | 101 | 107 Ų | 107 | 50% | 0.498 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 175.8 | -174 | -176.6 | 70.7 | 0 | 0 | 111.5 | M139 K202 I203 Y204 S209 W210 | M139-M206 HydrophobicContact CE-CE 4.37Å; K202-M206 WeakPolarHBondContact O-CB 3.17Å; K202-M206 PolarHBondContact O-N 3.08Å; I203-M206 PolarHBondContact O-N 3.42Å; Y204-M206 VanDerWaalsContact C-N 3.26Å; Y204-M206 PolarHBondContact O-N 3.46Å; M206-S209 PolarHBondContact O-N 2.85Å; M206-W210 VanDerWaalsContact O-CB 3.28Å; M206-W210 WeakPolarHBondContact O-CB 3.31Å; M206-W210 PolarHBondContact O-N 3.12Å |
| 207 | I | 46.7 | Very low | 43.7 | Very low | 82 Ų | 82 | 106 Ų | 106 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 177.2 | -67.8 | 166.4 | 0 | 0 | 0 | 110.5 | I203 Y204 W210 W211 | I203-I207 HydrophobicContact CG2-CD1 3.82Å; I203-I207 HydrophobicContact CG2-CG1 4.46Å; I203-I207 VanDerWaalsContact O-CG1 3.29Å; I203-I207 WeakPolarHBondContact O-CG1 3.32Å; I203-I207 PolarHBondContact O-N 3.06Å; Y204-I207 PolarHBondContact O-N 3.01Å; I207-W210 PolarHBondContact O-N 2.88Å; I207-W211 WeakPolarHBondContact O-CB 3.49Å; I207-W211 PolarHBondContact O-N 2.83Å |
| 208 | V | 48.8 | Very low | 44 | Very low | 32 Ų | 32 | 108.5 Ų | 108.5 | 19% | 0.194 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 178.3 | 173 | 0 | 0 | 0 | 0 | 111.3 | Y204 W211 R212 | Y204-V208 HydrophobicContact CD1-CG2 4.02Å; Y204-V208 HydrophobicContact CD2-CG2 4.49Å; Y204-V208 HydrophobicContact CE1-CG2 3.59Å; Y204-V208 HydrophobicContact CE2-CG2 4.1Å; Y204-V208 HydrophobicContact CG-CG2 4.46Å; Y204-V208 WeakPolarHBondContact O-CG2 3.41Å; Y204-V208 PolarHBondContact O-N 3.27Å; V208-W211 PolarHBondContact O-N 2.93Å; V208-R212 WeakPolarHBondContact O-CB 3.39Å; V208-R212 WeakPolarHBondContact O-CG 3.49Å; V208-R212 PolarHBondContact O-N 3.22Å |
| 209 | S | 44.1 | Very low | 44.1 | Very low | 73 Ų | 73 | 107.8 Ų | 107.8 | 51% | 0.51 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 177.6 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | E205 M206 R212 L213 | E205-S209 WeakPolarHBondContact O-CB 3.46Å; E205-S209 PolarHBondContact O-N 2.96Å; E205-S209 PolarHBondContact O-OG 3.05Å; M206-S209 PolarHBondContact O-N 2.85Å; S209-R212 PolarHBondContact O-N 3.3Å; S209-L213 WeakPolarHBondContact O-CB 3.22Å; S209-L213 PolarHBondContact O-N 3.07Å |
| 210 | W | 45.4 | Very low | 44.1 | Very low | 119 Ų | 119 | 110.4 Ų | 110.4 | 45% | 0.451 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -43 | 174.7 | 179.8 | 83.3 | 0 | 0 | 0 | 111.6 | M206 I207 L213 R214 | M206-W210 VanDerWaalsContact O-CB 3.28Å; M206-W210 WeakPolarHBondContact O-CB 3.31Å; M206-W210 PolarHBondContact O-N 3.12Å; I207-W210 PolarHBondContact O-N 2.88Å; W210-L213 WeakPolarHBondContact O-CB 3.2Å; W210-L213 PolarHBondContact O-N 3.21Å; W210-R214 PolarHBondContact O-N 2.91Å |
| 211 | W | 46.7 | Very low | 44.1 | Very low | 87 Ų | 87 | 111.1 Ų | 111.1 | 33% | 0.33 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 176.7 | -176 | 79 | 0 | 0 | 0 | 112.3 | I207 V208 L213 R214 Q215 L259 | I207-W211 WeakPolarHBondContact O-CB 3.49Å; I207-W211 PolarHBondContact O-N 2.83Å; V208-W211 PolarHBondContact O-N 2.93Å; W211-L213 VanDerWaalsContact C-N 3.27Å; W211-L213 PolarHBondContact O-N 3.5Å; W211-R214 PolarHBondContact O-N 3.4Å; W211-R214 VanDerWaalsContact O-N 3.14Å; W211-Q215 HydrophobicContact CD2-CG 4.1Å; W211-Q215 HydrophobicContact CE3-CG 4.37Å; W211-Q215 HydrophobicContact CH2-CG 4.2Å; W211-Q215 HydrophobicContact CZ2-CG 3.91Å; W211-Q215 VanDerWaalsContact CZ2-NE2 3.3Å; W211-Q215 HydrophobicContact CZ3-CG 4.42Å; W211-Q215 WeakPolarHBondContact O-CG 3.49Å; W211-Q215 PolarHBondContact O-N 3.31Å; W211-L259 HydrophobicContact CD2-CD1 4.45Å |
| 212 | R | 50.2 | Low | 43.9 | Very low | 157 Ų | 157 | 109.5 Ų | 109.5 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.4 | -38.3 | 173.5 | -77.5 | -179.1 | 179.9 | 178.6 | 0.9 | 112 | V208 S209 R216 | V208-R212 WeakPolarHBondContact O-CB 3.39Å; V208-R212 WeakPolarHBondContact O-CG 3.49Å; V208-R212 PolarHBondContact O-N 3.22Å; S209-R212 PolarHBondContact O-N 3.3Å; R212-R216 WeakPolarHBondContact O-CB 3.35Å; R212-R216 WeakPolarHBondContact O-CG 3.43Å; R212-R216 PolarHBondContact O-N 3.11Å |
| 213 | L | 44.5 | Very low | 43.6 | Very low | 109 Ų | 109 | 111.6 Ų | 111.6 | 57% | 0.571 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -44.6 | 175.2 | -174.8 | 66.9 | 0 | 0 | 0 | 111 | S209 W210 W211 R216 T217 | S209-L213 WeakPolarHBondContact O-CB 3.22Å; S209-L213 PolarHBondContact O-N 3.07Å; W210-L213 WeakPolarHBondContact O-CB 3.2Å; W210-L213 PolarHBondContact O-N 3.21Å; W211-L213 VanDerWaalsContact C-N 3.27Å; W211-L213 PolarHBondContact O-N 3.5Å; L213-R216 PolarHBondContact O-N 3.45Å; L213-T217 PolarHBondContact O-N 2.89Å; L213-T217 PolarHBondContact O-OG1 2.84Å |
| 214 | R | 43.9 | Very low | 43.1 | Very low | 117 Ų | 117 | 113 Ų | 113 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.7 | -36.3 | 178.7 | -158.6 | 176.4 | -170.9 | 178.4 | 2.6 | 113.2 | W210 W211 T217 R218 | W210-R214 PolarHBondContact O-N 2.91Å; W211-R214 PolarHBondContact O-N 3.4Å; W211-R214 VanDerWaalsContact O-N 3.14Å; R214-T217 WeakPolarHBondContact CA-OG1 3.34Å; R214-T217 PolarHBondContact O-N 3.42Å; R214-T217 PolarHBondContact O-OG1 3Å; R214-R218 PolarHBondContact O-N 3.31Å; R214-R218 VanDerWaalsContact O-N 3.13Å |
| 215 | Q | 43.7 | Very low | 42.6 | Very low | 48 Ų | 48 | 114.8 Ų | 114.8 | 22% | 0.224 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -67 | -40.4 | 172.6 | -69.7 | -68.8 | -0.7 | 0 | 0 | 111.3 | W211 T217 R218 C219 | W211-Q215 HydrophobicContact CD2-CG 4.1Å; W211-Q215 HydrophobicContact CE3-CG 4.37Å; W211-Q215 HydrophobicContact CH2-CG 4.2Å; W211-Q215 HydrophobicContact CZ2-CG 3.91Å; W211-Q215 VanDerWaalsContact CZ2-NE2 3.3Å; W211-Q215 HydrophobicContact CZ3-CG 4.42Å; W211-Q215 WeakPolarHBondContact O-CG 3.49Å; W211-Q215 PolarHBondContact O-N 3.31Å; Q215-T217 VanDerWaalsContact C-N 3.34Å; Q215-T217 PolarHBondContact O-N 3.02Å; Q215-R218 PolarHBondContact O-N 3.09Å; Q215-C219 PolarHBondContact O-N 3.36Å; Q215-C219 PolarHBondContact O-SG 2.74Å |
| 216 | R | 46.8 | Very low | 41.9 | Very low | 184 Ų | 184 | 117.3 Ų | 117.3 | 69% | 0.694 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.8 | -34.4 | 175.8 | -76.9 | 177.8 | 179.5 | -176.2 | 0 | 113.3 | R212 L213 | R212-R216 WeakPolarHBondContact O-CB 3.35Å; R212-R216 WeakPolarHBondContact O-CG 3.43Å; R212-R216 PolarHBondContact O-N 3.11Å; L213-R216 PolarHBondContact O-N 3.45Å |
| 217 | T | 46.9 | Very low | 41.5 | Very low | 82 Ų | 82 | 123.5 Ų | 123.5 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.4 | -42 | 174.7 | 51 | 0 | 0 | 0 | 0 | 111.1 | L213 R214 Q215 C219 K220 | L213-T217 PolarHBondContact O-N 2.89Å; L213-T217 PolarHBondContact O-OG1 2.84Å; R214-T217 WeakPolarHBondContact CA-OG1 3.34Å; R214-T217 PolarHBondContact O-N 3.42Å; R214-T217 PolarHBondContact O-OG1 3Å; Q215-T217 VanDerWaalsContact C-N 3.34Å; Q215-T217 PolarHBondContact O-N 3.02Å; T217-C219 PolarHBondContact O-N 2.67Å; T217-K220 PolarHBondContact O-N 3.17Å |
| 218 | R | 40.6 | Very low | 40.9 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 61% | 0.611 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.3 | -30.6 | 176.1 | -72.5 | -176.1 | 173.2 | -172.3 | -3.6 | 114.2 | R214 Q215 K220 | R214-R218 PolarHBondContact O-N 3.31Å; R214-R218 VanDerWaalsContact O-N 3.13Å; Q215-R218 PolarHBondContact O-N 3.09Å; R218-K220 VanDerWaalsContact C-N 3.35Å |
| 219 | C | 34.8 | Very low | 40 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 61% | 0.608 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -79.5 | -10.1 | 177.1 | -72 | 0 | 0 | 0 | 0 | 114.6 | Q215 T217 | Q215-C219 PolarHBondContact O-N 3.36Å; Q215-C219 PolarHBondContact O-SG 2.74Å; T217-C219 PolarHBondContact O-N 2.67Å |
| 220 | K | 37.9 | Very low | 39.5 | Very low | 160 Ų | 160 | 137 Ų | 137 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -77.2 | -20.1 | 179.9 | -89 | -176.2 | 176.2 | -176.7 | 0 | 113.9 | T217 R218 S222 | T217-K220 PolarHBondContact O-N 3.17Å; R218-K220 VanDerWaalsContact C-N 3.35Å; K220-S222 VanDerWaalsContact C-N 3.29Å; K220-S222 PolarHBondContact O-N 3.24Å |
| 221 | D | 38.9 | Very low | 38.9 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 80% | 0.797 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -84.7 | -3.8 | -177.7 | -59.5 | -29.5 | 0 | 0 | 0 | 113.4 | K223 | D221-K223 VanDerWaalsContact C-N 3.34Å; D221-K223 PolarHBondContact O-N 2.83Å |
| 222 | S | 35 | Very low | 38.1 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 70% | 0.699 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -90.1 | 14.7 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 113.9 | K220 V224 | K220-S222 VanDerWaalsContact C-N 3.29Å; K220-S222 PolarHBondContact O-N 3.24Å; S222-V224 VanDerWaalsContact C-N 3.32Å; S222-V224 PolarHBondContact O-N 2.87Å |
| 223 | K | 36.6 | Very low | 37.2 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 79% | 0.787 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -76.3 | 87.5 | 174.8 | -77.5 | -166 | 178 | -173.9 | 0 | 111.3 | D221 | D221-K223 VanDerWaalsContact C-N 3.34Å; D221-K223 PolarHBondContact O-N 2.83Å |
| 224 | V | 34.2 | Very low | 36.6 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 70% | 0.703 | 71% | 0.705 | S | S | * | * | trans | 51 | 75.3 | 137.4 | -167.5 | 0 | 0 | 0 | 0 | 113.6 | S222 K226 | S222-V224 VanDerWaalsContact C-N 3.32Å; S222-V224 PolarHBondContact O-N 2.87Å; V224-K226 VanDerWaalsContact C-N 3.26Å; V224-K226 HydrophobicContact CG1-CG 4.29Å; V224-K226 PolarHBondContact O-N 3.34Å | ||
| 225 | V | 35.5 | Very low | 36 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | trans | -59.7 | 100.7 | 149 | 176.8 | 0 | 0 | 0 | 0 | 105.8 | R227 | V225-R227 PolarHBondContact O-N 3.49Š| ||
| 226 | K | 34.2 | Very low | 35.4 | Very low | 174 Ų | 174 | 149.3 Ų | 149.3 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | -53.7 | 114 | 171.9 | -79.2 | 179.8 | 174.7 | 179.1 | 0 | 107.3 | V224 N228 | V224-K226 VanDerWaalsContact C-N 3.26Å; V224-K226 HydrophobicContact CG1-CG 4.29Å; V224-K226 PolarHBondContact O-N 3.34Å; K226-N228 PolarHBondContact O-N 3.34Å | ||
| 227 | R | 37 | Very low | 34.6 | Very low | 230 Ų | 230 | 147.4 Ų | 147.4 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | -50 | 101.1 | 166.8 | -93.2 | 174.9 | 162.3 | 159.6 | -6.1 | 108.6 | V225 K229 | V225-R227 PolarHBondContact O-N 3.49Å; R227-K229 PolarHBondContact O-N 3.01Å | ||
| 228 | N | 32.4 | Very low | 33.8 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | -70.4 | 104.3 | 153.3 | -70.9 | -19.7 | 0 | 0 | 0 | 105.2 | K226 P230 | K226-N228 PolarHBondContact O-N 3.34Å; N228-P230 WeakPolarHBondContact O-CD 3.48Å | ||
| 229 | K | 30.5 | Very low | 33.1 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 117.2 | 168.2 | -81.9 | 179.6 | 172.9 | -178.6 | 0 | 107.5 | R227 | R227-K229 PolarHBondContact O-N 3.01Š|
| 230 | P | 34.3 | Very low | 32.9 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 121.6 | 159.4 | 0.8 | 19.3 | 0 | 0 | 0 | 107 | N228 | N228-P230 WeakPolarHBondContact O-CD 3.48Š|
| 231 | A | 31.3 | Very low | 32.6 | Very low | 82 Ų | 82 | 145.7 Ų | 145.7 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 144.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 232 | D | 30.7 | Very low | 32.4 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | 61.3 | 100.1 | 146.4 | -64.7 | -14 | 0 | 0 | 0 | 119 | ||||
| 233 | N | 31.2 | Very low | 32.4 | Very low | 145 Ų | 145 | 148.2 Ų | 148.2 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | 150.4 | 140.1 | 91.1 | -94 | -35.1 | 0 | 0 | 0 | 113.8 | |||||
| 234 | R | 31.1 | Very low | 32 | Very low | 239 Ų | 239 | 142.6 Ų | 142.6 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | 87.4 | 111.3 | 156.3 | -74.6 | 177.8 | 175.3 | -179.6 | -1.6 | 119.9 | ||||
| 235 | A | 31.3 | Very low | 31.8 | Very low | 93 Ų | 93 | 148.7 Ų | 148.7 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -46.5 | 131 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 236 | Q | 31.7 | Very low | 31.4 | Very low | 197 Ų | 197 | 146.4 Ų | 146.4 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -132.4 | 118.2 | 144.2 | -73.7 | -173.4 | -0.9 | 0 | 0 | 108 | ||||
| 237 | T | 29.6 | Very low | 31.4 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -83.7 | 115.6 | 174.6 | -22.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 238 | A | 30.8 | Very low | 31.3 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -163.4 | 118.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 239 | D | 27.1 | Very low | 31.4 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 62.7 | 114.8 | 152 | -64 | -24.9 | 0 | 0 | 0 | 122.4 | S241 | D239-S241 PolarHBondContact O-N 3.47Š| ||
| 240 | S | 30.4 | Very low | 31.4 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -33.2 | 117.8 | 156.3 | 47.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 241 | S | 30.5 | Very low | 31.4 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -123.3 | 126.6 | 147.4 | -77.2 | 0 | 0 | 0 | 0 | 107.8 | D239 L243 | D239-S241 PolarHBondContact O-N 3.47Å; S241-L243 PolarHBondContact O-N 3.19Å | ||
| 242 | P | 35.9 | Very low | 31.6 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -64.7 | 129.3 | -170.2 | 27.6 | -32.1 | 0 | 0 | 0 | 108.4 | G244 | P242-G244 VanDerWaalsContact C-N 3.32Å; P242-G244 PolarHBondContact O-N 3.41Å | ||
| 243 | L | 34.6 | Very low | 31.7 | Very low | 180 Ų | 180 | 128.9 Ų | 128.9 | 94% | 0.942 | 74% | 0.74 | S | S | * | * | trans | -50 | 100.4 | 176.2 | -83.3 | 113.5 | 0 | 0 | 0 | 109 | S241 R245 | S241-L243 PolarHBondContact O-N 3.19Å; L243-R245 PolarHBondContact O-N 3Å | ||
| 244 | G | 27 | Very low | 32 | Very low | 64 Ų | 64 | 127.6 Ų | 127.6 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | trans | -50.5 | 113.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | P242 S246 | P242-G244 VanDerWaalsContact C-N 3.32Å; P242-G244 PolarHBondContact O-N 3.41Å; G244-S246 VanDerWaalsContact C-N 3.32Å; G244-S246 PolarHBondContact O-N 3.43Å | ||
| 245 | R | 30.1 | Very low | 32.2 | Very low | 244 Ų | 244 | 119.8 Ų | 119.8 | 92% | 0.921 | 71% | 0.714 | S | S | * | * | trans | -44.4 | 107.2 | 157.3 | -97.6 | 176.7 | 169.6 | 171.7 | -3.4 | 105.9 | L243 S247 | L243-R245 PolarHBondContact O-N 3Å; R245-S247 PolarHBondContact O-N 3.24Å | ||
| 246 | S | 28.3 | Very low | 32.4 | Very low | 92 Ų | 92 | 117.2 Ų | 117.2 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | trans | -56.2 | 115.2 | -177 | -50.3 | 0 | 0 | 0 | 0 | 107.7 | G244 A248 T249 | G244-S246 VanDerWaalsContact C-N 3.32Å; G244-S246 PolarHBondContact O-N 3.43Å; S246-A248 PolarHBondContact O-N 2.87Å; S246-T249 PolarHBondContact O-N 3.11Å; S246-T249 PolarHBondContact O-OG1 2.73Å | ||
| 247 | S | 33.2 | Very low | 32.7 | Very low | 97 Ų | 97 | 112.4 Ų | 112.4 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 5.9 | 179.9 | -54.8 | 0 | 0 | 0 | 0 | 114.7 | R245 T249 | R245-S247 PolarHBondContact O-N 3.24Å; S247-T249 PolarHBondContact O-N 2.93Å |
| 248 | A | 36.1 | Very low | 33.2 | Very low | 87 Ų | 87 | 107.7 Ų | 107.7 | 72% | 0.719 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -20.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S246 | S246-A248 PolarHBondContact O-N 2.87Š|
| 249 | T | 33.8 | Very low | 33.7 | Very low | 98 Ų | 98 | 106.4 Ų | 106.4 | 60% | 0.601 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -28 | 179.1 | -12.6 | 0 | 0 | 0 | 0 | 113.2 | S246 S247 Q251 N252 | S246-T249 PolarHBondContact O-N 3.11Å; S246-T249 PolarHBondContact O-OG1 2.73Å; S247-T249 PolarHBondContact O-N 2.93Å; T249-Q251 PolarHBondContact O-N 2.64Å; T249-N252 PolarHBondContact O-N 3.19Å |
| 250 | L | 29.5 | Very low | 34.2 | Very low | 122 Ų | 122 | 103.8 Ų | 103.8 | 64% | 0.639 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.5 | -23.3 | -173.8 | -96.4 | 152.7 | 0 | 0 | 0 | 114.8 | ||
| 251 | Q | 34.9 | Very low | 34.7 | Very low | 165 Ų | 165 | 103.2 Ų | 103.2 | 77% | 0.771 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -80.6 | -20 | 177.7 | -75.6 | -161 | -6 | 0 | 0 | 114.1 | T249 | T249-Q251 PolarHBondContact O-N 2.64Å |
| 252 | N | 36.9 | Very low | 35.2 | Very low | 77 Ų | 77 | 102.7 Ų | 102.7 | 41% | 0.412 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -83.8 | -27.2 | -178.2 | -132.7 | -0.7 | 0 | 0 | 0 | 112 | T249 S256 | T249-N252 PolarHBondContact O-N 3.19Å; N252-S256 WeakPolarHBondContact O-CB 3.24Å; N252-S256 PolarHBondContact O-N 2.9Å; N252-S256 PolarHBondContact O-OG 3.25Å |
| 253 | D | 30.8 | Very low | 35.3 | Very low | 82 Ų | 82 | 104.1 Ų | 104.1 | 44% | 0.439 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.2 | -38.9 | -176.7 | -67 | -18.3 | 0 | 0 | 0 | 111.9 | C255 S256 N257 | D253-C255 PolarHBondContact O-N 3.33Å; D253-S256 PolarHBondContact O-N 3.27Å; D253-N257 WeakPolarHBondContact O-CB 3.39Å; D253-N257 VanDerWaalsContact O-CG 3.28Å; D253-N257 PolarHBondContact O-N 3.12Å; D253-N257 PolarHBondContact O-ND2 3.38Å |
| 254 | N | 38.8 | Very low | 35.5 | Very low | 118 Ų | 118 | 103.8 Ų | 103.8 | 63% | 0.631 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.2 | -42.1 | -179 | -74.8 | -4.3 | 0 | 0 | 0 | 112.9 | A258 | N254-A258 PolarHBondContact O-N 2.98Å; N254-A258 VanDerWaalsContact O-N 3.11Å |
| 255 | C | 35.1 | Very low | 36.1 | Very low | 76 Ų | 76 | 102.9 Ų | 102.9 | 51% | 0.514 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.9 | -33.5 | 177.6 | -80.2 | 0 | 0 | 0 | 0 | 112.9 | D253 A258 L259 | D253-C255 PolarHBondContact O-N 3.33Å; C255-A258 PolarHBondContact O-N 2.99Å; C255-L259 PolarHBondContact O-N 3.32Å; C255-L259 VanDerWaalsContact O-N 3.08Å |
| 256 | S | 35.7 | Very low | 36.6 | Very low | 39 Ų | 39 | 95.5 Ų | 95.5 | 27% | 0.273 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 176.4 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | N252 D253 L259 L260 | N252-S256 WeakPolarHBondContact O-CB 3.24Å; N252-S256 PolarHBondContact O-N 2.9Å; N252-S256 PolarHBondContact O-OG 3.25Å; D253-S256 PolarHBondContact O-N 3.27Å; S256-L259 PolarHBondContact O-N 3.45Å; S256-L260 WeakPolarHBondContact O-CB 3.41Å; S256-L260 VanDerWaalsContact O-CG 3.29Å; S256-L260 WeakPolarHBondContact O-CG 3.23Å; S256-L260 PolarHBondContact O-N 3.42Å |
| 257 | N | 37.9 | Very low | 37.1 | Very low | 96 Ų | 96 | 94.3 Ų | 94.3 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 174.7 | -75 | -17.6 | 0 | 0 | 0 | 111.8 | D253 L259 L260 E261 | D253-N257 WeakPolarHBondContact O-CB 3.39Å; D253-N257 VanDerWaalsContact O-CG 3.28Å; D253-N257 PolarHBondContact O-N 3.12Å; D253-N257 PolarHBondContact O-ND2 3.38Å; N257-L259 VanDerWaalsContact C-N 3.32Å; N257-L259 PolarHBondContact O-N 3.03Å; N257-L260 PolarHBondContact O-N 3.03Å; N257-L260 VanDerWaalsContact O-N 3.14Å; N257-E261 WeakPolarHBondContact O-CB 3.39Å; N257-E261 PolarHBondContact O-N 3Å |
| 258 | A | 39.4 | Very low | 37.5 | Very low | 44 Ų | 44 | 91.7 Ų | 91.7 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N254 C255 E261 I262 | N254-A258 PolarHBondContact O-N 2.98Å; N254-A258 VanDerWaalsContact O-N 3.11Å; C255-A258 PolarHBondContact O-N 2.99Å; A258-E261 PolarHBondContact O-N 3.46Å; A258-I262 WeakPolarHBondContact O-CD1 3.29Å; A258-I262 VanDerWaalsContact O-CG1 3.24Å; A258-I262 WeakPolarHBondContact O-CG1 3.28Å; A258-I262 PolarHBondContact O-N 2.96Å |
| 259 | L | 40.8 | Very low | 37.6 | Very low | 61 Ų | 61 | 92 Ų | 92 | 32% | 0.319 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 176 | -74.9 | 173.2 | 0 | 0 | 0 | 112.7 | W211 C255 S256 N257 R263 | W211-L259 HydrophobicContact CD2-CD1 4.45Å; C255-L259 PolarHBondContact O-N 3.32Å; C255-L259 VanDerWaalsContact O-N 3.08Å; S256-L259 PolarHBondContact O-N 3.45Å; N257-L259 VanDerWaalsContact C-N 3.32Å; N257-L259 PolarHBondContact O-N 3.03Å; L259-R263 WeakPolarHBondContact O-CB 3.41Å; L259-R263 PolarHBondContact O-N 3.39Å |
| 260 | L | 38.2 | Very low | 37.6 | Very low | 98 Ų | 98 | 94.1 Ų | 94.1 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 174.5 | -74.6 | 171.4 | 0 | 0 | 0 | 111.7 | S256 N257 R263 W264 | S256-L260 WeakPolarHBondContact O-CB 3.41Å; S256-L260 VanDerWaalsContact O-CG 3.29Å; S256-L260 WeakPolarHBondContact O-CG 3.23Å; S256-L260 PolarHBondContact O-N 3.42Å; N257-L260 PolarHBondContact O-N 3.03Å; N257-L260 VanDerWaalsContact O-N 3.14Å; L260-R263 WeakPolarHBondContact O-CB 3.44Å; L260-R263 PolarHBondContact O-N 2.94Å; L260-W264 WeakPolarHBondContact O-CB 3.32Å; L260-W264 PolarHBondContact O-N 3.29Å |
| 261 | E | 40.4 | Very low | 38 | Very low | 101 Ų | 101 | 96.6 Ų | 96.6 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 177.5 | -161.1 | 174.6 | -159 | 0 | 0 | 110.8 | N257 A258 R263 W264 V265 | N257-E261 WeakPolarHBondContact O-CB 3.39Å; N257-E261 PolarHBondContact O-N 3Å; A258-E261 PolarHBondContact O-N 3.46Å; E261-R263 VanDerWaalsContact C-N 3.29Å; E261-R263 PolarHBondContact O-N 3.18Å; E261-W264 PolarHBondContact O-N 3.16Å; E261-W264 VanDerWaalsContact O-N 3.11Å; E261-V265 WeakPolarHBondContact O-CG2 3.25Å; E261-V265 PolarHBondContact O-N 2.96Å |
| 262 | I | 42.7 | Very low | 38.2 | Very low | 94 Ų | 94 | 93.7 Ų | 93.7 | 48% | 0.482 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 171.8 | -68.2 | 164.5 | 0 | 0 | 0 | 110.7 | A258 W264 I266 | A258-I262 WeakPolarHBondContact O-CD1 3.29Å; A258-I262 VanDerWaalsContact O-CG1 3.24Å; A258-I262 WeakPolarHBondContact O-CG1 3.28Å; A258-I262 PolarHBondContact O-N 2.96Å; I262-W264 VanDerWaalsContact C-N 3.34Å; I262-W264 PolarHBondContact O-N 3.31Å; I262-I266 HydrophobicContact CG2-CD1 3.76Å; I262-I266 VanDerWaalsContact O-CG1 3.23Å; I262-I266 WeakPolarHBondContact O-CG1 3.34Å; I262-I266 PolarHBondContact O-N 3.04Å |
| 263 | R | 37.5 | Very low | 38.2 | Very low | 152 Ų | 152 | 95.5 Ų | 95.5 | 57% | 0.574 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 176.8 | -175.9 | -177.5 | 179 | -162.5 | 0.1 | 111.3 | L259 L260 E261 I266 T267 | L259-R263 WeakPolarHBondContact O-CB 3.41Å; L259-R263 PolarHBondContact O-N 3.39Å; L260-R263 WeakPolarHBondContact O-CB 3.44Å; L260-R263 PolarHBondContact O-N 2.94Å; E261-R263 VanDerWaalsContact C-N 3.29Å; E261-R263 PolarHBondContact O-N 3.18Å; R263-I266 PolarHBondContact O-N 2.91Å; R263-T267 WeakPolarHBondContact O-CB 3.31Å; R263-T267 PolarHBondContact O-N 3.2Å; R263-T267 PolarHBondContact O-OG1 2.92Å |
| 264 | W | 38.6 | Very low | 38.3 | Very low | 172 Ų | 172 | 98.5 Ų | 98.5 | 65% | 0.652 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65 | -47.6 | -179.5 | -166.9 | 84.4 | 0 | 0 | 0 | 111.2 | L260 E261 I262 I266 T267 D268 | L260-W264 WeakPolarHBondContact O-CB 3.32Å; L260-W264 PolarHBondContact O-N 3.29Å; E261-W264 PolarHBondContact O-N 3.16Å; E261-W264 VanDerWaalsContact O-N 3.11Å; I262-W264 VanDerWaalsContact C-N 3.34Å; I262-W264 PolarHBondContact O-N 3.31Å; W264-I266 PolarHBondContact O-N 2.92Å; W264-T267 CarbonylContact O-C 3.6Å; W264-T267 PolarHBondContact O-N 3.41Å; W264-D268 HydrophobicContact CE3-CB 4.47Å; W264-D268 HydrophobicContact CZ3-CB 4.45Å; W264-D268 WeakPolarHBondContact O-CB 3.3Å; W264-D268 PolarHBondContact O-N 2.88Å |
| 265 | V | 39.2 | Very low | 37.9 | Very low | 46 Ų | 46 | 97.7 Ų | 97.7 | 28% | 0.279 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | E261 T267 E269 Y301 | E261-V265 WeakPolarHBondContact O-CG2 3.25Å; E261-V265 PolarHBondContact O-N 2.96Å; V265-T267 VanDerWaalsContact C-N 3.28Å; V265-T267 PolarHBondContact O-N 3.25Å; V265-E269 WeakPolarHBondContact O-CB 3.4Å; V265-E269 PolarHBondContact O-N 2.87Å; V265-Y301 VanDerWaalsContact CG1-OH 3.27Å; V265-Y301 WeakPolarHBondContact CG1-OH 3.4Å |
| 266 | I | 41.3 | Very low | 37.8 | Very low | 88 Ų | 88 | 101.2 Ų | 101.2 | 45% | 0.451 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 176.8 | -67.1 | 168.6 | 0 | 0 | 0 | 111.3 | I262 R263 W264 Y270 | I262-I266 HydrophobicContact CG2-CD1 3.76Å; I262-I266 VanDerWaalsContact O-CG1 3.23Å; I262-I266 WeakPolarHBondContact O-CG1 3.34Å; I262-I266 PolarHBondContact O-N 3.04Å; R263-I266 PolarHBondContact O-N 2.91Å; W264-I266 PolarHBondContact O-N 2.92Å; I266-Y270 WeakPolarHBondContact O-CB 3.18Å; I266-Y270 PolarHBondContact O-N 3.37Å; I266-Y270 VanDerWaalsContact O-N 3.15Å |
| 267 | T | 39 | Very low | 37.6 | Very low | 68 Ų | 68 | 105.1 Ų | 105.1 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -79.5 | -36.5 | -177.1 | -49 | 0 | 0 | 0 | 0 | 112.5 | R263 W264 V265 Y270 R271 | R263-T267 WeakPolarHBondContact O-CB 3.31Å; R263-T267 PolarHBondContact O-N 3.2Å; R263-T267 PolarHBondContact O-OG1 2.92Å; W264-T267 CarbonylContact O-C 3.6Å; W264-T267 PolarHBondContact O-N 3.41Å; V265-T267 VanDerWaalsContact C-N 3.28Å; V265-T267 PolarHBondContact O-N 3.25Å; T267-Y270 WeakPolarHBondContact O-CB 3.34Å; T267-Y270 PolarHBondContact O-N 3.21Å; T267-R271 PolarHBondContact O-N 3.45Å |
| 268 | D | 41 | Very low | 37.4 | Very low | 41 Ų | 41 | 106.3 Ų | 106.3 | 22% | 0.219 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -69.5 | -42.3 | 176.9 | -172.1 | 56.3 | 0 | 0 | 0 | 111.3 | W264 Y270 R271 K272 | W264-D268 HydrophobicContact CE3-CB 4.47Å; W264-D268 HydrophobicContact CZ3-CB 4.45Å; W264-D268 WeakPolarHBondContact O-CB 3.3Å; W264-D268 PolarHBondContact O-N 2.88Å; D268-Y270 VanDerWaalsContact C-N 3.31Å; D268-Y270 PolarHBondContact O-N 3.49Å; D268-R271 WeakPolarHBondContact O-CA 3.38Å; D268-R271 WeakPolarHBondContact O-CB 3.33Å; D268-R271 PolarHBondContact O-N 3.04Å; D268-K272 PolarHBondContact O-N 2.79Å; D268-K272 WeakPolarHBondContact OD2-CE 3.32Å; D268-K272 IonicContact OD2-NZ 2.71Å; D268-K272 PolarHBondContact OD2-NZ 2.95Å |
| 269 | E | 38.6 | Very low | 36.9 | Very low | 93 Ų | 93 | 109.2 Ų | 109.2 | 44% | 0.435 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.5 | -41 | 169.4 | -82.9 | -79.7 | 144.7 | 0 | 0 | 111.6 | V265 R271 K272 V273 | V265-E269 WeakPolarHBondContact O-CB 3.4Å; V265-E269 PolarHBondContact O-N 2.87Å; E269-R271 PolarHBondContact O-N 3.16Å; E269-K272 PolarHBondContact O-N 2.76Å; E269-V273 VanDerWaalsContact O-CG2 3.3Å; E269-V273 WeakPolarHBondContact O-CG2 3.3Å; E269-V273 PolarHBondContact O-N 3.22Å |
| 270 | Y | 32.5 | Very low | 36.3 | Very low | 144 Ų | 144 | 117.2 Ų | 117.2 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59 | -35.2 | 173.7 | -175.7 | -90.7 | 0 | 0 | 0 | 112.4 | I266 T267 D268 K274 | I266-Y270 WeakPolarHBondContact O-CB 3.18Å; I266-Y270 PolarHBondContact O-N 3.37Å; I266-Y270 VanDerWaalsContact O-N 3.15Å; T267-Y270 WeakPolarHBondContact O-CB 3.34Å; T267-Y270 PolarHBondContact O-N 3.21Å; D268-Y270 VanDerWaalsContact C-N 3.31Å; D268-Y270 PolarHBondContact O-N 3.49Å; Y270-K274 HydrophobicContact CE1-CD 4.06Å; Y270-K274 VanDerWaalsContact OH-CE 3.26Å; Y270-K274 WeakPolarHBondContact OH-CE 3.18Å; Y270-K274 PolarHBondContact OH-NZ 3.15Å; Y270-K274 VanDerWaalsContact OH-NZ 3.09Å |
| 271 | R | 38.9 | Very low | 36.1 | Very low | 173 Ų | 173 | 121.6 Ų | 121.6 | 65% | 0.653 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71 | -48.7 | 173.5 | -80.2 | -174.7 | 177 | -177.3 | -0.7 | 111.8 | T267 D268 E269 V273 K274 T275 | T267-R271 PolarHBondContact O-N 3.45Å; D268-R271 WeakPolarHBondContact O-CA 3.38Å; D268-R271 WeakPolarHBondContact O-CB 3.33Å; D268-R271 PolarHBondContact O-N 3.04Å; E269-R271 PolarHBondContact O-N 3.16Å; R271-V273 VanDerWaalsContact C-N 3.28Å; R271-V273 PolarHBondContact O-N 3.47Å; R271-K274 CarbonylContact O-C 3.6Å; R271-K274 WeakPolarHBondContact O-CA 3.5Å; R271-K274 PolarHBondContact O-N 2.9Å; R271-T275 PolarHBondContact O-N 3.46Å; R271-T275 PolarHBondContact O-OG1 2.99Å |
| 272 | K | 39.1 | Very low | 35.6 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 45% | 0.452 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.1 | -41.1 | -179.4 | -72.4 | 173.6 | 179.9 | 157.5 | 0 | 112.4 | D268 E269 K274 T275 E276 | D268-K272 PolarHBondContact O-N 2.79Å; D268-K272 WeakPolarHBondContact OD2-CE 3.32Å; D268-K272 IonicContact OD2-NZ 2.71Å; D268-K272 PolarHBondContact OD2-NZ 2.95Å; E269-K272 PolarHBondContact O-N 2.76Å; K272-K274 VanDerWaalsContact C-N 3.27Å; K272-K274 PolarHBondContact O-N 3.01Å; K272-T275 PolarHBondContact O-N 3.2Å; K272-E276 PolarHBondContact O-N 3.03Å |
| 273 | V | 36.7 | Very low | 34.9 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 70% | 0.697 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.6 | -28.3 | 176.1 | 176 | 0 | 0 | 0 | 0 | 112.6 | E269 R271 | E269-V273 VanDerWaalsContact O-CG2 3.3Å; E269-V273 WeakPolarHBondContact O-CG2 3.3Å; E269-V273 PolarHBondContact O-N 3.22Å; R271-V273 VanDerWaalsContact C-N 3.28Å; R271-V273 PolarHBondContact O-N 3.47Å |
| 274 | K | 32.6 | Very low | 34.5 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 63% | 0.63 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -83 | -28.3 | 174 | -81 | -167.8 | 177.5 | -177.5 | 0 | 113.4 | Y270 R271 K272 | Y270-K274 HydrophobicContact CE1-CD 4.06Å; Y270-K274 VanDerWaalsContact OH-CE 3.26Å; Y270-K274 WeakPolarHBondContact OH-CE 3.18Å; Y270-K274 PolarHBondContact OH-NZ 3.15Å; Y270-K274 VanDerWaalsContact OH-NZ 3.09Å; R271-K274 CarbonylContact O-C 3.6Å; R271-K274 WeakPolarHBondContact O-CA 3.5Å; R271-K274 PolarHBondContact O-N 2.9Å; K272-K274 VanDerWaalsContact C-N 3.27Å; K272-K274 PolarHBondContact O-N 3.01Å |
| 275 | T | 31.2 | Very low | 34 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 62% | 0.62 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -100.3 | -4.9 | -170 | 53.5 | 0 | 0 | 0 | 0 | 115.2 | R271 K272 P277 | R271-T275 PolarHBondContact O-N 3.46Å; R271-T275 PolarHBondContact O-OG1 2.99Å; K272-T275 PolarHBondContact O-N 3.2Å; T275-P277 WeakPolarHBondContact O-CD 3.33Å |
| 276 | E | 32.2 | Very low | 33.7 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 70% | 0.701 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -70.6 | 109.2 | 168.5 | -78.6 | -166.7 | 167.5 | 0 | 0 | 109.9 | K272 L278 | K272-E276 PolarHBondContact O-N 3.03Å; E276-L278 PolarHBondContact O-N 3.48Å |
| 277 | P | 31.6 | Very low | 33.4 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 63% | 0.625 | S | S | * | * | trans | -66.3 | 104.7 | 170.7 | 28.8 | -31.8 | 0 | 0 | 0 | 106.9 | T275 N279 | T275-P277 WeakPolarHBondContact O-CD 3.33Å; P277-N279 PolarHBondContact O-N 2.78Å | ||
| 278 | L | 33.6 | Very low | 33.3 | Very low | 121 Ų | 121 | 137 Ų | 137 | 63% | 0.634 | 65% | 0.646 | S | S | * | * | trans | -41.3 | 105 | 178 | -74 | 163.2 | 0 | 0 | 0 | 109.6 | E276 R280 F283 | E276-L278 PolarHBondContact O-N 3.48Å; L278-R280 PolarHBondContact O-N 3.4Å; L278-F283 HydrophobicContact CB-CE2 4.11Å; L278-F283 HydrophobicContact CD2-CE2 3.83Å; L278-F283 HydrophobicContact CD2-CZ 3.97Å; L278-F283 HydrophobicContact CG-CE2 4.44Å | ||
| 279 | N | 28.7 | Very low | 33 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 57% | 0.567 | 66% | 0.663 | S | S | * | * | trans | -61.4 | 99.4 | -175.5 | -161.8 | -20.9 | 0 | 0 | 0 | 107.7 | P277 K281 F282 | P277-N279 PolarHBondContact O-N 2.78Å; N279-K281 PolarHBondContact O-N 2.88Å; N279-F282 PolarHBondContact O-N 3.37Å | ||
| 280 | R | 29.5 | Very low | 32.7 | Very low | 229 Ų | 229 | 139.1 Ų | 139.1 | 86% | 0.864 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -55.3 | -15.2 | -170.4 | -80.9 | -178.5 | 170.4 | 177.4 | -2.9 | 113.8 | L278 F282 F283 | L278-R280 PolarHBondContact O-N 3.4Å; R280-F282 VanDerWaalsContact C-N 3.32Å; R280-F282 PolarHBondContact O-N 3.03Å; R280-F283 PolarHBondContact O-N 2.88Å |
| 281 | K | 32.9 | Very low | 32.6 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 83% | 0.826 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -71.4 | -20.6 | 176.9 | -65.3 | -172.7 | 179.4 | -178.9 | 0 | 113.9 | N279 | N279-K281 PolarHBondContact O-N 2.88Š|
| 282 | F | 30.1 | Very low | 32.3 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 72% | 0.719 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -87.6 | -2.3 | 175.7 | -82.3 | -82.7 | 0 | 0 | 0 | 114.6 | N279 R280 N290 | N279-F282 PolarHBondContact O-N 3.37Å; R280-F282 VanDerWaalsContact C-N 3.32Å; R280-F282 PolarHBondContact O-N 3.03Å; F282-N290 PolarHBondContact O-ND2 3.17Å |
| 283 | F | 27.1 | Very low | 31.9 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 51% | 0.509 | 70% | 0.701 | S | S | . | * | trans | -106.6 | 35.3 | -175.2 | -77.8 | -85.9 | 0 | 0 | 0 | 114.3 | L278 R280 | L278-F283 HydrophobicContact CB-CE2 4.11Å; L278-F283 HydrophobicContact CD2-CE2 3.83Å; L278-F283 HydrophobicContact CD2-CZ 3.97Å; L278-F283 HydrophobicContact CG-CE2 4.44Å; R280-F283 PolarHBondContact O-N 2.88Å | ||
| 284 | R | 29.5 | Very low | 31.5 | Very low | 250 Ų | 250 | 147 Ų | 147 | 94% | 0.943 | 70% | 0.703 | S | S | * | * | trans | -92.4 | 6.2 | 164 | -84 | -165.1 | -178.3 | -156.9 | 2 | 114.4 | ||||
| 285 | G | 29.5 | Very low | 31.5 | Very low | 37 Ų | 37 | 145 Ų | 145 | 38% | 0.381 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -92.9 | 124.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 286 | S | 31.6 | Very low | 31.6 | Very low | 84 Ų | 84 | 146.4 Ų | 146.4 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | trans | -39.9 | 136.7 | 179.5 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | K288 D289 | S286-K288 PolarHBondContact O-N 3.12Å; S286-D289 PolarHBondContact O-N 3.33Å | ||
| 287 | E | 35.5 | Very low | 31.7 | Very low | 196 Ų | 196 | 145 Ų | 145 | 92% | 0.916 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.3 | -12.2 | -172.4 | -78.6 | 179 | 134.5 | 0 | 0 | 117.1 | ||
| 288 | K | 36.5 | Very low | 31.8 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 85% | 0.852 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -17.5 | -178.7 | -69.7 | -176.2 | 177.4 | 174.4 | 0 | 115.2 | S286 | S286-K288 PolarHBondContact O-N 3.12Š|
| 289 | D | 35.3 | Very low | 31.7 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 59% | 0.594 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -102.7 | -20.1 | -169.6 | -75.3 | -31 | 0 | 0 | 0 | 116.1 | S286 | S286-D289 PolarHBondContact O-N 3.33Š|
| 290 | N | 31.4 | Very low | 31.9 | Very low | 68 Ų | 68 | 149 Ų | 149 | 36% | 0.364 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -86.5 | -12.1 | -168.1 | -81.3 | -8.1 | 0 | 0 | 0 | 115.9 | F282 R292 | F282-N290 PolarHBondContact O-ND2 3.17Å; N290-R292 PolarHBondContact O-N 2.91Å |
| 291 | C | 31 | Very low | 32 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 87% | 0.865 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -71 | -12.3 | 174.6 | -71 | 0 | 0 | 0 | 0 | 113.8 | ||
| 292 | R | 32.6 | Very low | 31.9 | Very low | 233 Ų | 233 | 140.8 Ų | 140.8 | 88% | 0.879 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -92.1 | -9 | -173.1 | -99.9 | -175.6 | 176.9 | -172.7 | -0.1 | 116.2 | N290 | N290-R292 PolarHBondContact O-N 2.91Š|
| 293 | K | 31.1 | Very low | 32 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -112.4 | -0.8 | -169.5 | -73.5 | -169.2 | 177.7 | -177.9 | 0 | 117.1 | S295 | K293-S295 VanDerWaalsContact C-N 3.27Å; K293-S295 PolarHBondContact O-N 3.1Å |
| 294 | Q | 28.7 | Very low | 32.1 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | trans | -93.2 | 59.6 | 166.9 | -71.3 | -175.7 | -7.5 | 0 | 0 | 110.4 | I296 | Q294-I296 VanDerWaalsContact C-N 3.28Å; Q294-I296 PolarHBondContact O-N 2.88Å | ||
| 295 | S | 32.6 | Very low | 32.2 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | trans | -69.5 | 95.7 | 159.9 | 55.4 | 0 | 0 | 0 | 0 | 106.7 | K293 N297 | K293-S295 VanDerWaalsContact C-N 3.27Å; K293-S295 PolarHBondContact O-N 3.1Å; S295-N297 PolarHBondContact O-N 2.84Å; S295-N297 VanDerWaalsContact O-N 3.08Å | ||
| 296 | I | 32.9 | Very low | 32.3 | Very low | 131 Ų | 131 | 136 Ų | 136 | 67% | 0.672 | 66% | 0.659 | S | S | * | * | trans | -43.9 | 118.7 | 166.9 | -63.1 | 166.9 | 0 | 0 | 0 | 106.9 | Q294 W298 | Q294-I296 VanDerWaalsContact C-N 3.28Å; Q294-I296 PolarHBondContact O-N 2.88Å; I296-W298 HydrophobicContact CG2-CE3 4.3Å; I296-W298 PolarHBondContact O-N 2.92Å | ||
| 297 | N | 33.9 | Very low | 32.5 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | trans | -71.3 | 80.1 | -175 | -165.1 | -0.7 | 0 | 0 | 0 | 109.4 | S295 Y299 S300 | S295-N297 PolarHBondContact O-N 2.84Å; S295-N297 VanDerWaalsContact O-N 3.08Å; N297-Y299 PolarHBondContact O-N 3.03Å; N297-S300 PolarHBondContact O-N 3.25Å | ||
| 298 | W | 34.4 | Very low | 32.1 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 59% | 0.591 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -56.6 | -20.4 | -173.2 | -156.2 | -122.8 | 0 | 0 | 0 | 113.3 | I296 S300 Y301 R302 | I296-W298 HydrophobicContact CG2-CE3 4.3Å; I296-W298 PolarHBondContact O-N 2.92Å; W298-S300 VanDerWaalsContact C-N 3.31Å; W298-S300 PolarHBondContact O-N 3.2Å; W298-Y301 PolarHBondContact O-N 3.4Å; W298-R302 PolarHBondContact O-N 3.39Å |
| 299 | Y | 30.6 | Very low | 31.8 | Very low | 187 Ų | 187 | 132.1 Ų | 132.1 | 73% | 0.733 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.3 | -33.2 | 175.4 | -82.5 | -84 | 0 | 0 | 0 | 113.3 | N297 | N297-Y299 PolarHBondContact O-N 3.03Å |
| 300 | S | 33.5 | Very low | 31.7 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 63% | 0.629 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.9 | -37.6 | 179.1 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | N297 W298 | N297-S300 PolarHBondContact O-N 3.25Å; W298-S300 VanDerWaalsContact C-N 3.31Å; W298-S300 PolarHBondContact O-N 3.2Å |
| 301 | Y | 31.3 | Very low | 31.7 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 38% | 0.384 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -70.6 | -34.4 | -179.6 | -141.9 | -85 | 0 | 0 | 0 | 113 | V265 W298 Y304 A305 | V265-Y301 VanDerWaalsContact CG1-OH 3.27Å; V265-Y301 WeakPolarHBondContact CG1-OH 3.4Å; W298-Y301 PolarHBondContact O-N 3.4Å; Y301-Y304 PolarHBondContact O-N 3.33Å; Y301-A305 PolarHBondContact O-N 3.37Å |
| 302 | R | 30.6 | Very low | 31.8 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 56% | 0.558 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.8 | -40.3 | -179.6 | -166.1 | 176.2 | 175.2 | -177.1 | -3.5 | 111.6 | W298 F306 | W298-R302 PolarHBondContact O-N 3.39Å; R302-F306 HydrophobicContact CG-CD2 3.9Å; R302-F306 HydrophobicContact CG-CE2 3.77Å; R302-F306 WeakPolarHBondContact O-CD2 3.42Å; R302-F306 PolarHBondContact O-N 3.36Å |
| 303 | N | 32 | Very low | 31.7 | Very low | 102 Ų | 102 | 133 Ų | 133 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.7 | -34.2 | 179.9 | -75.1 | -8 | 0 | 0 | 0 | 112.4 | F306 Q307 | N303-F306 PolarHBondContact O-N 3.31Å; N303-Q307 WeakPolarHBondContact O-CB 3.45Å; N303-Q307 WeakPolarHBondContact O-CG 3.19Å; N303-Q307 PolarHBondContact O-N 3.14Å |
| 304 | Y | 30.1 | Very low | 31.7 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 58% | 0.576 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.8 | -42.9 | 179.2 | -157.4 | -96.8 | 0 | 0 | 0 | 112.4 | Y301 F306 Q307 M308 | Y301-Y304 PolarHBondContact O-N 3.33Å; Y304-F306 PolarHBondContact O-N 2.95Å; Y304-Q307 PolarHBondContact O-N 2.84Å; Y304-M308 HydrophobicContact CE1-CE 4.03Å; Y304-M308 WeakPolarHBondContact O-CG 3.38Å |
| 305 | A | 30.8 | Very low | 31.9 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.7 | -27.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y301 | Y301-A305 PolarHBondContact O-N 3.37Å |
| 306 | F | 32.6 | Very low | 31.9 | Very low | 151 Ų | 151 | 130 Ų | 130 | 66% | 0.662 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -89.1 | -19.4 | 178.1 | -74.8 | -68.3 | 0 | 0 | 0 | 113.6 | R302 N303 Y304 | R302-F306 HydrophobicContact CG-CD2 3.9Å; R302-F306 HydrophobicContact CG-CE2 3.77Å; R302-F306 WeakPolarHBondContact O-CD2 3.42Å; R302-F306 PolarHBondContact O-N 3.36Å; N303-F306 PolarHBondContact O-N 3.31Å; Y304-F306 PolarHBondContact O-N 2.95Å |
| 307 | Q | 34.9 | Very low | 31.8 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 63% | 0.631 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.9 | -17.2 | 175.1 | -80.3 | 177.9 | -19.2 | 0 | 0 | 113.7 | N303 Y304 H309 | N303-Q307 WeakPolarHBondContact O-CB 3.45Å; N303-Q307 WeakPolarHBondContact O-CG 3.19Å; N303-Q307 PolarHBondContact O-N 3.14Å; Y304-Q307 PolarHBondContact O-N 2.84Å; Q307-H309 PolarHBondContact O-N 2.99Å |
| 308 | M | 27.3 | Very low | 31.6 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 47% | 0.473 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | 15.4 | -178.8 | -70.9 | -71.7 | -124 | 0 | 0 | 114.5 | Y304 | Y304-M308 HydrophobicContact CE1-CE 4.03Å; Y304-M308 WeakPolarHBondContact O-CG 3.38Å |
| 309 | H | 29.4 | Very low | 31.4 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 76% | 0.759 | 63% | 0.628 | S | S | * | * | trans | -110.4 | 106.6 | 173.7 | -114.7 | -64.8 | 0 | 0 | 0 | 109.9 | Q307 | Q307-H309 PolarHBondContact O-N 2.99Š| ||
| 310 | P | 33.9 | Very low | 31.5 | Very low | 160 Ų | 160 | 123.4 Ų | 123.4 | 100% | 1.039 | 62% | 0.619 | S | S | * | * | trans | -67.1 | 0 | 166.2 | 28 | -32.1 | 0 | 0 | 0 | 111.8 |
Retrieved 310 of 310 residues in 308.2 ms
(Link to these results)