| 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 | 26.2 | Very low | 26.4 | Very low | 180 Ų | 180 | 119.9 Ų | 119.9 | 89% | 0.887 | 57% | 0.572 | S | S | * | * | 0 | 134.3 | 0 | -88.1 | -174.7 | 164.1 | 0 | 0 | 109.8 | I168 | M1-I168 HydrophobicContact CE-CD1 3.85Š| |||
| 2 | R | 24.6 | Very low | 26.3 | Very low | 94 Ų | 94 | 111.7 Ų | 111.7 | 36% | 0.355 | 54% | 0.537 | S | S | . | . | trans | -104.6 | 116.5 | 170.5 | -68.9 | 159.7 | 166.5 | 172.1 | -14.2 | 106.7 | I292 I293 D294 | R2-I292 PolarHBondContact NH2-O 3.38Å; R2-I293 VanDerWaalsContact NE-C 3.31Å; R2-I293 PolarHBondContact NE-O 2.58Å; R2-I293 VanDerWaalsContact NH2-C 3.26Å; R2-I293 PolarHBondContact NH2-O 3.45Å; R2-D294 IonicContact CZ-OD1 3.22Å; R2-D294 IonicContact NH1-OD1 2.88Å; R2-D294 VanDerWaalsContact NH2-CA 3.27Å; R2-D294 VanDerWaalsContact NH2-N 3.11Å; R2-D294 IonicContact NH2-OD1 3.18Å; R2-D294 PolarHBondContact NH2-OD1 3.36Å; R2-D294 IonicContact NH2-OD2 2.67Å; R2-D294 PolarHBondContact NH2-OD2 3.31Å | ||
| 3 | R | 26 | Very low | 26.6 | Very low | 190 Ų | 190 | 109.2 Ų | 109.2 | 72% | 0.717 | 53% | 0.533 | S | S | * | . | trans | -114.8 | 112.7 | 168.1 | -108.1 | -174.6 | -179.7 | 172.5 | 0.4 | 109.3 | ||||
| 4 | L | 25 | Very low | 26.5 | Very low | 72 Ų | 72 | 107.7 Ų | 107.7 | 38% | 0.377 | 55% | 0.547 | S | S | . | . | trans | -44.9 | 141.5 | 147.7 | -103.5 | 154.6 | 0 | 0 | 0 | 111 | Y288 M289 T290 | L4-Y288 HydrophobicContact CD1-CD2 4.23Å; L4-Y288 HydrophobicContact CD1-CE2 3.65Å; L4-Y288 HydrophobicContact CD2-CD2 3.24Å; L4-Y288 HydrophobicContact CD2-CE2 3.59Å; L4-Y288 HydrophobicContact CD2-CG 4.18Å; L4-Y288 HydrophobicContact CG-CD2 4.34Å; L4-Y288 HydrophobicContact CG-CE2 4.25Å; L4-M289 WeakPolarHBondContact CD2-O 3.42Å; L4-T290 VanDerWaalsContact CD2-CA 3.42Å; L4-T290 VanDerWaalsContact CD2-CB 3.49Å; L4-T290 WeakPolarHBondContact CG-OG1 3.33Å | ||
| 5 | K | 28.1 | Very low | 26.4 | Very low | 79 Ų | 79 | 104.5 Ų | 104.5 | 34% | 0.343 | 55% | 0.552 | S | S | . | * | trans | -133 | 94.8 | 157.9 | -172.7 | 174.8 | 175 | 67.8 | 0 | 108.9 | G8 H9 Y10 | K5-G8 PolarHBondContact NZ-O 3.37Å; K5-H9 PolarHBondContact NZ-O 2.96Å; K5-Y10 HydrophobicContact CD-CD1 4.18Å; K5-Y10 HydrophobicContact CD-CE1 3.5Å; K5-Y10 HydrophobicContact CD-CE2 4.19Å; K5-Y10 VanDerWaalsContact CE-CE2 3.4Å; K5-Y10 WeakPolarHBondContact CE-OH 3.12Å | ||
| 6 | A | 28.1 | Very low | 26.5 | Very low | 50 Ų | 50 | 102.3 Ų | 102.3 | 41% | 0.413 | 56% | 0.562 | S | S | . | * | trans | -70 | 165.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y288 | A6-Y288 HydrophobicContact CB-CG 4.4Š| ||
| 7 | E | 29.1 | Very low | 26.5 | Very low | 200 Ų | 200 | 108.4 Ų | 108.4 | 94% | 0.935 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -64.7 | 150.1 | -166.4 | -60.7 | 174.8 | 143.7 | 0 | 0 | 113.3 | ||
| 8 | G | 27.8 | Very low | 26.5 | Very low | 44 Ų | 44 | 110.8 Ų | 110.8 | 45% | 0.454 | 59% | 0.593 | S | S | . | * | S | Bend | trans | 91.1 | 132.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K5 | K5-G8 PolarHBondContact NZ-O 3.37Š|
| 9 | H | 26.6 | Very low | 26.5 | Very low | 182 Ų | 182 | 115.8 Ų | 115.8 | 84% | 0.843 | 60% | 0.603 | S | S | * | * | trans | 68.7 | 135.7 | 163.6 | -41.9 | -73.9 | 0 | 0 | 0 | 119.6 | K5 | K5-H9 PolarHBondContact NZ-O 2.96Š| ||
| 10 | Y | 24.9 | Very low | 26.6 | Very low | 167 Ų | 167 | 117 Ų | 117 | 66% | 0.655 | 61% | 0.61 | S | S | * | * | trans | -143.7 | 147 | -173.7 | -78.8 | -82.3 | 0 | 0 | 0 | 111.3 | K5 | K5-Y10 HydrophobicContact CD-CD1 4.18Å; K5-Y10 HydrophobicContact CD-CE1 3.5Å; K5-Y10 HydrophobicContact CD-CE2 4.19Å; K5-Y10 VanDerWaalsContact CE-CE2 3.4Å; K5-Y10 WeakPolarHBondContact CE-OH 3.12Å | ||
| 11 | L | 24.1 | Very low | 26.7 | Very low | 61 Ų | 61 | 118.8 Ų | 118.8 | 32% | 0.319 | 62% | 0.619 | S | S | . | * | trans | -163.7 | 144.3 | 177.6 | -94.1 | 126.9 | 0 | 0 | 0 | 113.7 | E171 Y174 Q176 | L11-E171 WeakPolarHBondContact CD2-O 3.21Å; L11-Y174 VanDerWaalsContact CD2-CB 3.47Å; L11-Y174 HydrophobicContact CD2-CD1 4.5Å; L11-Y174 HydrophobicContact CD2-CG 4.22Å; L11-Y174 VanDerWaalsContact CD2-O 3.25Å; L11-Y174 WeakPolarHBondContact CD2-O 3.36Å; L11-Q176 VanDerWaalsContact C-CD 3.45Å; L11-Q176 VanDerWaalsContact N-OE1 3.17Å; L11-Q176 PolarHBondContact O-NE2 3.04Å; L11-Q176 VanDerWaalsContact O-NE2 3.15Å; L11-Q176 PolarHBondContact O-OE1 3.12Å | ||
| 12 | S | 25 | Very low | 26.7 | Very low | 21 Ų | 21 | 113.3 Ų | 113.3 | 15% | 0.147 | 61% | 0.609 | C | S | . | * | trans | -103.7 | 157.5 | -170.7 | -105.9 | 0 | 0 | 0 | 0 | 115.4 | Y174 Q176 R177 | S12-Y174 VanDerWaalsContact O-CE1 3.26Å; S12-Y174 WeakPolarHBondContact O-CE1 3.42Å; S12-Q176 VanDerWaalsContact CA-NE2 3.3Å; S12-Q176 VanDerWaalsContact OG-CG 3.22Å; S12-Q176 WeakPolarHBondContact OG-CG 3.22Å; S12-Q176 PolarHBondContact OG-NE2 3.39Å; S12-R177 PolarHBondContact OG-O 3.48Å | ||
| 13 | V | 30.2 | Very low | 26.9 | Very low | 80 Ų | 80 | 115 Ų | 115 | 49% | 0.485 | 63% | 0.629 | S | S | . | * | 70.3 | 120 | 64.7 | -167.2 | 0 | 0 | 0 | 0 | 117.1 | Y174 H179 | V13-Y174 PolarHBondContact O-OH 3.37Å; V13-Y174 VanDerWaalsContact O-OH 3.05Å; V13-H179 HydrophobicContact CG1-CB 4.32Å; V13-H179 WeakPolarHBondContact CG1-CD2 3.43Å | |||
| 14 | A | 25 | Very low | 26.8 | Very low | 88 Ų | 88 | 115 Ų | 115 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | trans | -139.4 | 157.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 15 | G | 25.7 | Very low | 27 | Very low | 60 Ų | 60 | 114.9 Ų | 114.9 | 62% | 0.619 | 65% | 0.653 | S | S | * | * | cis | -161.7 | -167.7 | -8.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 16 | G | 26.9 | Very low | 26.9 | Very low | 69 Ų | 69 | 117.7 Ų | 117.7 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | cis | 169.1 | 140 | -9.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 17 | F | 27.3 | Very low | 26.7 | Very low | 206 Ų | 206 | 124 Ų | 124 | 90% | 0.904 | 70% | 0.702 | S | S | * | * | trans | -166.5 | 149.3 | 149.2 | -132.5 | -102.4 | 0 | 0 | 0 | 110.4 | ||||
| 18 | L | 25.9 | Very low | 26.7 | Very low | 151 Ų | 151 | 122.9 Ų | 122.9 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | -98 | 147 | -166.3 | -67.3 | 155.1 | 0 | 0 | 0 | 113 | ||||
| 19 | R | 28.1 | Very low | 26.6 | Very low | 206 Ų | 206 | 130 Ų | 130 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | 171.5 | 137.5 | 109.8 | -93.4 | 175.2 | -124.4 | -127.1 | 3.3 | 113.7 | |||||
| 20 | N | 26.9 | Very low | 26.8 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | trans | 63.5 | 136 | 138.7 | -63.9 | 8.7 | 0 | 0 | 0 | 118.9 | ||||
| 21 | I | 28.6 | Very low | 27 | Very low | 156 Ų | 156 | 125.1 Ų | 125.1 | 80% | 0.8 | 71% | 0.713 | S | S | * | * | cis | -149.7 | 170.5 | 11.3 | -96.4 | 143.7 | 0 | 0 | 0 | 109.3 | ||||
| 22 | G | 26.2 | Very low | 27.5 | Very low | 65 Ų | 65 | 129.8 Ų | 129.8 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | trans | -65.1 | -179 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 23 | V | 29.1 | Very low | 28.3 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | -168.9 | 122.3 | 57.2 | 163.4 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 24 | Q | 25.4 | Very low | 28.7 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | 85.1 | 127.8 | 90.6 | -151.7 | -179.3 | 34.4 | 0 | 0 | 117.4 | |||||
| 25 | G | 27.2 | Very low | 29.3 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 92.5 | 144.9 | 171 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 26 | C | 26.8 | Very low | 29.9 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | cis | -150.8 | 168.3 | -0.7 | -80.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 27 | H | 24.6 | Very low | 30.7 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -86.5 | 162.9 | -175.7 | -101.5 | -84.7 | 0 | 0 | 0 | 115.2 | ||||
| 28 | L | 28.4 | Very low | 31.3 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -163.3 | 154.9 | 131 | -103.7 | 164.9 | 0 | 0 | 0 | 112.1 | ||||
| 29 | R | 26.2 | Very low | 31.9 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 73% | 0.725 | 78% | 0.781 | S | S | * | * | trans | -154 | 147.7 | -171.4 | -167.7 | -166.1 | -150.2 | -176.8 | 7.8 | 109.4 | ||||
| 30 | P | 30.2 | Very low | 32.3 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -128.2 | 162.4 | 144.4 | 7.3 | 15.1 | 0 | 0 | 0 | 113.3 | ||||
| 31 | L | 28.7 | Very low | 32.8 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 61% | 0.613 | 79% | 0.785 | S | S | * | * | trans | -155.2 | 143.7 | -171.4 | -130.3 | 176.4 | 0 | 0 | 0 | 109.7 | ||||
| 32 | L | 35.8 | Very low | 33.4 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | 118.3 | 140.3 | 153.4 | -65 | 168.2 | 0 | 0 | 0 | 118.7 | ||||
| 33 | P | 42.3 | Very low | 34.2 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -127.4 | -156.7 | 179.8 | 46.8 | -32.8 | 0 | 0 | 0 | 114.4 | ||||
| 34 | A | 37.5 | Very low | 34.5 | Very low | 95 Ų | 95 | 149 Ų | 149 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | 88.4 | 150.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 35 | E | 38.8 | Very low | 35 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | cis | -142.5 | 143.5 | 15.6 | -79.9 | -166.6 | 123.2 | 0 | 0 | 110.2 | ||||
| 36 | K | 38 | Very low | 35.2 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | 96.7 | 169.8 | 71.9 | -120.6 | -165.6 | -176.3 | 177.3 | 0 | 113.3 | |||||
| 37 | P | 43.9 | Very low | 35.4 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | -132.6 | -167.5 | -118.5 | 44.3 | -25.3 | 0 | 0 | 0 | 116.1 | |||||
| 38 | E | 38.4 | Very low | 35.5 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 148.8 | 154.5 | 150 | -87.4 | -171.2 | -155.2 | 0 | 0 | 112.3 | ||||
| 39 | T | 39.2 | Very low | 35.7 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | cis | -156 | 169.3 | -11.4 | 1.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 40 | K | 36.6 | Very low | 35.8 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | trans | 70 | 144.8 | 149.5 | -81.2 | 170.8 | 179.7 | 171.8 | 0 | 118.8 | ||||
| 41 | V | 37.1 | Very low | 35.6 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | cis | -143.9 | 124.6 | 0.9 | 172.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 42 | R | 41.1 | Very low | 35.5 | Very low | 236 Ų | 236 | 138.4 Ų | 138.4 | 89% | 0.891 | 72% | 0.721 | S | S | * | * | 82.2 | 157.2 | 80.4 | -109.6 | -159.4 | -172.3 | -160 | 3.2 | 115.2 | |||||
| 43 | P | 42.8 | Very low | 35 | Very low | 94 Ų | 94 | 141 Ų | 141 | 61% | 0.61 | 72% | 0.72 | S | S | * | * | -136.1 | -138.9 | -111.4 | 44.8 | -24.3 | 0 | 0 | 0 | 114.1 | |||||
| 44 | H | 35.5 | Very low | 34.2 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | trans | 117 | 135.4 | 171.6 | -66.5 | -65.8 | 0 | 0 | 0 | 112.8 | ||||
| 45 | T | 35.3 | Very low | 33.7 | Very low | 96 Ų | 96 | 143 Ų | 143 | 59% | 0.589 | 72% | 0.723 | S | S | * | * | cis | -164 | 137.2 | -4.8 | -100.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 46 | E | 31.4 | Very low | 32.9 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | trans | 38.5 | 147.4 | 142.3 | -52 | 159.8 | 176 | 0 | 0 | 120.8 | ||||
| 47 | E | 32.3 | Very low | 32.2 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 56% | 0.561 | 72% | 0.716 | S | S | * | * | cis | -154.4 | 172.1 | 25.8 | -72.5 | -171.3 | 135 | 0 | 0 | 113.7 | T115 | E47-T115 HydrophobicContact CB-CG2 3.74Å; E47-T115 WeakPolarHBondContact CB-OG1 3.41Å; E47-T115 HydrophobicContact CG-CG2 4.35Å; E47-T115 WeakPolarHBondContact OE2-CB 3.46Å; E47-T115 WeakPolarHBondContact OE2-CG2 3.06Å; E47-T115 PolarHBondContact OE2-OG1 2.8Å | ||
| 48 | E | 25.7 | Very low | 31.2 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | trans | -104.3 | -77.7 | -175.5 | -160.2 | -147.6 | 115.3 | 0 | 0 | 119.5 | G114 T115 | E48-G114 CarbonylContact O-C 3.41Å; E48-G114 PolarHBondContact O-N 2.78Å; E48-G114 VanDerWaalsContact O-O 3.13Å; E48-T115 PolarHBondContact O-N 2.83Å | ||
| 49 | P | 32.5 | Very low | 30.6 | Very low | 53 Ų | 53 | 132.4 Ų | 132.4 | 34% | 0.344 | 69% | 0.694 | S | S | . | * | -111.8 | 141.6 | -116.8 | 34 | -29.3 | 0 | 0 | 0 | 119.6 | |||||
| 50 | Q | 28 | Very low | 29.7 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | trans | 77.4 | 148.1 | 133.2 | -70.4 | 168.5 | 39.6 | 0 | 0 | 123.7 | ||||
| 51 | L | 26.5 | Very low | 29.1 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | trans | 94.4 | 101.5 | 137.2 | -118.9 | 110.5 | 0 | 0 | 0 | 121.7 | ||||
| 52 | S | 27.3 | Very low | 28.5 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | trans | -154.7 | 95.6 | 134.9 | 56.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 53 | R | 25 | Very low | 27.6 | Very low | 213 Ų | 213 | 126.5 Ų | 126.5 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | 49.1 | 98 | 104.8 | -84.6 | -176.7 | 166.4 | 168.7 | -3.3 | 115.4 | |||||
| 54 | A | 25.5 | Very low | 26.7 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 79% | 0.793 | 68% | 0.677 | S | S | * | * | trans | -147 | 82.4 | 151.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 55 | I | 26.4 | Very low | 26.1 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 83% | 0.831 | 67% | 0.667 | S | S | * | * | trans | 33.1 | 106.6 | 147.1 | -51.6 | 174.9 | 0 | 0 | 0 | 117.4 | ||||
| 56 | C | 21.5 | Very low | 25.6 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 80% | 0.797 | 68% | 0.681 | S | S | * | * | trans | -86.6 | 124.3 | 163.7 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 57 | S | 25 | Very low | 25.4 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 67% | 0.671 | 68% | 0.683 | S | S | * | * | trans | -108.6 | 124.2 | 170.2 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 58 | Q | 22.1 | Very low | 25.1 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 59% | 0.593 | 69% | 0.692 | S | S | * | * | trans | -99.4 | 135.2 | -178.7 | -66.9 | -176.7 | 8.4 | 0 | 0 | 111.4 | K138 | Q58-K138 HydrophobicContact CB-CD 4.1Å; Q58-K138 HydrophobicContact CG-CD 4.19Å | ||
| 59 | V | 25.2 | Very low | 25.2 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 44% | 0.442 | 70% | 0.703 | S | S | . | * | trans | -143.6 | 147.5 | 154.3 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | P136 K138 | V59-P136 HydrophobicContact CB-CG 3.99Å; V59-P136 HydrophobicContact CG2-CG 3.81Å; V59-K138 WeakPolarHBondContact O-CB 3.49Å; V59-K138 PolarHBondContact O-N 3.03Å | ||
| 60 | E | 21.2 | Very low | 25 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 67% | 0.673 | 73% | 0.73 | S | S | * | * | trans | -95 | 163.9 | -166 | -67.4 | 170.1 | 151.5 | 0 | 0 | 113.8 | K138 | E60-K138 HydrophobicContact CG-CD 4.08Å; E60-K138 IonicContact OE1-NZ 3.15Å; E60-K138 PolarHBondContact OE1-NZ 3.23Å | ||
| 61 | L | 24.1 | Very low | 25.1 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 61% | 0.613 | 74% | 0.736 | S | S | * | * | trans | -132 | 128.2 | 167.7 | -93.5 | 169 | 0 | 0 | 0 | 109.4 | F137 | L61-F137 HydrophobicContact CD1-CB 3.89Š| ||
| 62 | E | 23.4 | Very low | 25.3 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | trans | -67.2 | 143.5 | 178.1 | -69.8 | -179.3 | 116.2 | 0 | 0 | 112.4 | ||||
| 63 | L | 23.1 | Very low | 25.5 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 49% | 0.487 | 75% | 0.747 | S | S | . | * | trans | -108.6 | 91.6 | 169.5 | -75.6 | 172.5 | 0 | 0 | 0 | 109.5 | L65 L153 | L63-L65 PolarHBondContact O-N 3.22Å; L63-L153 HydrophobicContact CD1-CD2 4.23Å; L63-L153 HydrophobicContact CD2-CD2 3.65Å | ||
| 64 | S | 23.1 | Very low | 25.8 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -68.9 | 115 | 171.8 | -54 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 65 | L | 23.7 | Very low | 26 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 59% | 0.586 | 74% | 0.744 | S | S | * | * | trans | -88.9 | 110 | 165.5 | -78.7 | 161 | 0 | 0 | 0 | 108 | L63 | L63-L65 PolarHBondContact O-N 3.22Š| ||
| 66 | E | 25 | Very low | 26.2 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 87% | 0.869 | 74% | 0.735 | S | S | * | * | trans | -118.9 | 126.6 | 177.8 | -148.2 | 166.2 | -146.8 | 0 | 0 | 108.9 | ||||
| 67 | E | 27 | Very low | 26.7 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | trans | -79.4 | 151.3 | -171.9 | -62.8 | -174.2 | 145.2 | 0 | 0 | 112 | ||||
| 68 | D | 25.7 | Very low | 26.8 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -55.7 | 134.7 | -171 | -69 | -66.7 | 0 | 0 | 0 | 113.9 | ||
| 69 | N | 28.7 | Very low | 27 | Very low | 162 Ų | 162 | 148 Ų | 148 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | trans | -171.8 | -6.7 | 153.4 | -102 | -44.7 | 0 | 0 | 0 | 118.4 | ||||
| 70 | M | 27.6 | Very low | 27.2 | Very low | 183 Ų | 183 | 149.5 Ų | 149.5 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -95.5 | -5.5 | -159.2 | -76.5 | -120.5 | -76.7 | 0 | 0 | 119.8 | ||
| 71 | F | 29.2 | Very low | 27.6 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 82% | 0.82 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -100.9 | -8.7 | -168 | -121.2 | -91.1 | 0 | 0 | 0 | 118.1 | R73 | F71-R73 VanDerWaalsContact C-N 3.31Å; F71-R73 PolarHBondContact O-N 2.92Å |
| 72 | E | 31.8 | Very low | 27.8 | Very low | 183 Ų | 183 | 151.5 Ų | 151.5 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -68.2 | -21.5 | -178.3 | -91.7 | -87.9 | 121.2 | 0 | 0 | 114.5 | A74 | E72-A74 PolarHBondContact O-N 3.5Š|
| 73 | R | 31.8 | Very low | 28 | Very low | 238 Ų | 238 | 150.7 Ų | 150.7 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -86 | -4 | -169.2 | -79.5 | -176.4 | 174.5 | 144.6 | 1.1 | 116.7 | F71 | F71-R73 VanDerWaalsContact C-N 3.31Å; F71-R73 PolarHBondContact O-N 2.92Å |
| 74 | A | 30.4 | Very low | 28.3 | Very low | 80 Ų | 80 | 152 Ų | 152 | 66% | 0.661 | 81% | 0.808 | S | S | * | * | G | 310 helix | trans | -94.4 | -12.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | E72 | E72-A74 PolarHBondContact O-N 3.5Š|
| 75 | L | 31 | Very low | 28.5 | Very low | 167 Ų | 167 | 158.9 Ų | 158.9 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -101.1 | 7.6 | -168.2 | -76.5 | 168.3 | 0 | 0 | 0 | 115.6 | ||
| 76 | S | 28.9 | Very low | 28.8 | Very low | 91 Ų | 91 | 159 Ų | 159 | 64% | 0.636 | 83% | 0.828 | S | S | * | * | trans | -117.9 | 71 | -176.6 | 54.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 77 | R | 31.9 | Very low | 29.1 | Very low | 250 Ų | 250 | 159 Ų | 159 | 94% | 0.943 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -154.8 | 154.8 | 156.1 | -102.1 | 138.6 | -160.2 | -114.3 | 4.7 | 111.7 | ||
| 78 | S | 28.1 | Very low | 29.3 | Very low | 96 Ų | 96 | 162.2 Ų | 162.2 | 67% | 0.671 | 83% | 0.832 | S | S | * | * | trans | -72.8 | 153.5 | -147.3 | 50.4 | 0 | 0 | 0 | 0 | 117.5 | S80 | S78-S80 PolarHBondContact O-N 3.46Š| ||
| 79 | P | 26.7 | Very low | 29.4 | Very low | 138 Ų | 138 | 161.3 Ų | 161.3 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | trans | -81.8 | 99 | 175.7 | 33.2 | -33.6 | 0 | 0 | 0 | 112.2 | ||||
| 80 | S | 28.4 | Very low | 29.4 | Very low | 104 Ų | 104 | 164.8 Ų | 164.8 | 73% | 0.727 | 84% | 0.837 | S | S | * | * | trans | -152.9 | 62.7 | 173.8 | 62.1 | 0 | 0 | 0 | 0 | 112.7 | S78 | S78-S80 PolarHBondContact O-N 3.46Š| ||
| 81 | A | 30.7 | Very low | 29.5 | Very low | 98 Ų | 98 | 163.9 Ų | 163.9 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | trans | -153.1 | 47.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 82 | F | 27.1 | Very low | 29.3 | Very low | 204 Ų | 204 | 165.7 Ų | 165.7 | 90% | 0.895 | 83% | 0.834 | S | S | * | * | trans | -79.2 | 149.6 | 159.4 | -109 | -105.1 | 0 | 0 | 0 | 109 | ||||
| 83 | L | 28.6 | Very low | 29.3 | Very low | 163 Ų | 163 | 162.8 Ų | 162.8 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | S | Bend | trans | 74.2 | 72.5 | -179.5 | -49.1 | 174.5 | 0 | 0 | 0 | 116.8 | ||
| 84 | S | 28.3 | Very low | 29.3 | Very low | 122 Ų | 122 | 160.3 Ų | 160.3 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | 174.9 | 68.5 | 143.4 | 41.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 85 | R | 28.8 | Very low | 29.3 | Very low | 252 Ų | 252 | 163.1 Ų | 163.1 | 95% | 0.951 | 83% | 0.829 | S | S | * | * | trans | -139.6 | 37.6 | 173 | -124.5 | 179.8 | -167.5 | -154.4 | 4.1 | 115.6 | ||||
| 86 | S | 28.6 | Very low | 29.4 | Very low | 115 Ų | 115 | 164.5 Ų | 164.5 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -103.2 | 109.5 | 159.1 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | ||
| 87 | Q | 32 | Very low | 29.5 | Very low | 184 Ų | 184 | 167.7 Ų | 167.7 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | S | Bend | trans | 156.1 | -18 | 154.2 | -90.5 | 179.8 | -13.1 | 0 | 0 | 115 | ||
| 88 | R | 30.2 | Very low | 29.2 | Very low | 248 Ų | 248 | 165.8 Ų | 165.8 | 94% | 0.936 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 13.5 | -165.8 | -102.5 | -172.7 | -174.3 | -160.2 | 2.8 | 119.1 | ||
| 89 | S | 28.5 | Very low | 29.2 | Very low | 122 Ų | 122 | 167.9 Ų | 167.9 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -2.1 | -179.8 | -151.5 | 0 | 0 | 0 | 0 | 115.3 | Q91 | S89-Q91 PolarHBondContact O-N 3.19Š|
| 90 | R | 29.2 | Very low | 29.2 | Very low | 235 Ų | 235 | 165.8 Ų | 165.8 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -93.2 | 87.9 | 173.8 | -67.8 | -178.7 | 178.9 | 178.7 | -1.1 | 110 | ||
| 91 | Q | 28.7 | Very low | 29 | Very low | 165 Ų | 165 | 168.1 Ų | 168.1 | 77% | 0.771 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -167.5 | -21 | 153.8 | -150.3 | 58.5 | 12.3 | 0 | 0 | 115.1 | S89 T93 | S89-Q91 PolarHBondContact O-N 3.19Å; Q91-T93 PolarHBondContact O-N 3.44Å |
| 92 | Y | 26.8 | Very low | 28.8 | Very low | 224 Ų | 224 | 168.5 Ų | 168.5 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | -96.1 | 70.2 | -175.9 | -79.9 | -84.2 | 0 | 0 | 0 | 113.6 | ||||
| 93 | T | 30 | Very low | 28.7 | Very low | 122 Ų | 122 | 167.9 Ų | 167.9 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -136.5 | 1.2 | 175.7 | 47.7 | 0 | 0 | 0 | 0 | 116.2 | Q91 | Q91-T93 PolarHBondContact O-N 3.44Š| ||
| 94 | K | 31.7 | Very low | 28.4 | Very low | 187 Ų | 187 | 164.8 Ų | 164.8 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -94.9 | -26.1 | -177.3 | -76.8 | -167.8 | 171 | -173 | 0 | 116.8 | ||
| 95 | D | 30.8 | Very low | 28.2 | Very low | 138 Ų | 138 | 169.6 Ų | 169.6 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -93.4 | -6.6 | -172.6 | -60.2 | -40.8 | 0 | 0 | 0 | 115.4 | Q97 | D95-Q97 VanDerWaalsContact C-N 3.25Å; D95-Q97 PolarHBondContact O-N 3.1Å |
| 96 | K | 33.3 | Very low | 27.9 | Very low | 197 Ų | 197 | 164.6 Ų | 164.6 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -75.3 | -9 | -179.2 | -93 | -171.3 | 173.5 | -175.9 | 0 | 114.8 | ||
| 97 | Q | 31.4 | Very low | 27.7 | Very low | 158 Ų | 158 | 164.1 Ų | 164.1 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -90.1 | -5.5 | -171.8 | -146.1 | 164.5 | 0.3 | 0 | 0 | 114.1 | D95 | D95-Q97 VanDerWaalsContact C-N 3.25Å; D95-Q97 PolarHBondContact O-N 3.1Å |
| 98 | R | 26.1 | Very low | 27.3 | Very low | 209 Ų | 209 | 163.1 Ų | 163.1 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -101.4 | -6 | -175.1 | -105.5 | -177.3 | 174.4 | -178.7 | -2.2 | 116.5 | ||
| 99 | I | 27.6 | Very low | 27 | Very low | 140 Ų | 140 | 158.9 Ų | 158.9 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -97.5 | -14.2 | -173.4 | -59.5 | 178.2 | 0 | 0 | 0 | 112 | E101 | I99-E101 VanDerWaalsContact C-N 3.34Š|
| 100 | S | 27.7 | Very low | 27 | Very low | 95 Ų | 95 | 158.6 Ų | 158.6 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -75.7 | -15.3 | 174.9 | 39.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 101 | E | 23.8 | Very low | 26.9 | Very low | 153 Ų | 153 | 157.6 Ų | 157.6 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -91.3 | 5 | -169.5 | -65.1 | -177.6 | 143.7 | 0 | 0 | 115 | I99 | I99-E101 VanDerWaalsContact C-N 3.34Š|
| 102 | V | 25.3 | Very low | 27 | Very low | 106 Ų | 106 | 154.6 Ų | 154.6 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -106.1 | -5.9 | -173.1 | -176.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 103 | F | 25.5 | Very low | 27.4 | Very low | 190 Ų | 190 | 149.3 Ų | 149.3 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -134.7 | 60.2 | -178.3 | -68.1 | -77.4 | 0 | 0 | 0 | 113.6 | ||
| 104 | S | 23 | Very low | 27.6 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | -149.7 | 100 | 152.9 | -116.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 105 | Y | 22.7 | Very low | 27.8 | Very low | 223 Ų | 223 | 139.4 Ų | 139.4 | 88% | 0.875 | 74% | 0.736 | S | S | * | * | trans | -129 | 101.4 | 157.1 | -119.2 | -87.1 | 0 | 0 | 0 | 106.6 | V107 | Y105-V107 PolarHBondContact O-N 2.87Š| ||
| 106 | D | 22.9 | Very low | 28.1 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | -67.8 | 120.4 | 172.7 | -66.9 | -58.6 | 0 | 0 | 0 | 108.8 | ||||
| 107 | V | 24.7 | Very low | 28.2 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | -128.6 | 99.4 | 162.4 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | Y105 M109 | Y105-V107 PolarHBondContact O-N 2.87Å; V107-M109 HydrophobicContact CG1-CE 3.64Å | ||
| 108 | L | 24.1 | Very low | 28.3 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | trans | -55.2 | 132.5 | 167.3 | -70.9 | 154.9 | 0 | 0 | 0 | 109.9 | ||||
| 109 | M | 24 | Very low | 28.7 | Very low | 160 Ų | 160 | 126.6 Ų | 126.6 | 79% | 0.788 | 73% | 0.726 | S | S | * | * | trans | -116 | 108.4 | 171.8 | -78.5 | -74.6 | 120.1 | 0 | 0 | 110.2 | V107 | V107-M109 HydrophobicContact CG1-CE 3.64Š| ||
| 110 | P | 27.7 | Very low | 28.9 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | trans | -82.2 | 153.2 | 167.8 | 33.1 | -31.8 | 0 | 0 | 0 | 111.6 | ||||
| 111 | K | 27.3 | Very low | 29.2 | Very low | 213 Ų | 213 | 127.8 Ų | 127.8 | 93% | 0.926 | 73% | 0.726 | S | S | * | * | trans | -77.6 | 138 | 174.5 | -69.8 | 174 | 170.1 | 178.2 | 0 | 111.8 | ||||
| 112 | A | 30.3 | Very low | 29.4 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | -179.4 | 149.4 | 129.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 113 | S | 35.2 | Very low | 29.7 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -46.4 | 156.8 | 176 | 46.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 114 | G | 34.8 | Very low | 29.6 | Very low | 50 Ų | 50 | 128 Ų | 128 | 52% | 0.515 | 73% | 0.731 | S | S | . | * | trans | 153.2 | 131.4 | 153 | 0 | 0 | 0 | 0 | 0 | 118.8 | E48 | E48-G114 CarbonylContact O-C 3.41Å; E48-G114 PolarHBondContact O-N 2.78Å; E48-G114 VanDerWaalsContact O-O 3.13Å | ||
| 115 | T | 35.5 | Very low | 29.8 | Very low | 50 Ų | 50 | 128.7 Ų | 128.7 | 31% | 0.307 | 74% | 0.736 | S | S | . | * | trans | -63.9 | 170 | 169.8 | 14.9 | 0 | 0 | 0 | 0 | 115.1 | E47 E48 | E47-T115 HydrophobicContact CB-CG2 3.74Å; E47-T115 WeakPolarHBondContact CB-OG1 3.41Å; E47-T115 HydrophobicContact CG-CG2 4.35Å; E47-T115 WeakPolarHBondContact OE2-CB 3.46Å; E47-T115 WeakPolarHBondContact OE2-CG2 3.06Å; E47-T115 PolarHBondContact OE2-OG1 2.8Å; E48-T115 PolarHBondContact O-N 2.83Å | ||
| 116 | T | 37.3 | Very low | 29.8 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | cis | -161.7 | 159.6 | 8.9 | 4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 117 | S | 34.4 | Very low | 30.1 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | 22.8 | 140.6 | 144.6 | -167.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 118 | G | 33.9 | Very low | 30.3 | Very low | 61 Ų | 61 | 129 Ų | 129 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | cis | 173.4 | 179.9 | 5.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 119 | D | 35.2 | Very low | 30.5 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | 63 | 114.2 | 169.4 | -57.8 | -29.8 | 0 | 0 | 0 | 121.1 | ||||
| 120 | N | 32 | Very low | 30.9 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 59% | 0.588 | 75% | 0.753 | S | S | * | * | 77 | 132.8 | 92.1 | -53.5 | -31.4 | 0 | 0 | 0 | 113.2 | |||||
| 121 | D | 34.7 | Very low | 30.9 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | cis | -155.9 | -178.3 | 32.7 | -97.7 | -48 | 0 | 0 | 0 | 115.4 | ||||
| 122 | L | 27.3 | Very low | 30.8 | Very low | 151 Ų | 151 | 125 Ų | 125 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -63.1 | 160.7 | 178 | -82.6 | 78.1 | 0 | 0 | 0 | 114.9 | ||||
| 123 | L | 30.4 | Very low | 30.8 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | -176.6 | 155.1 | 64.5 | -161.6 | 105.4 | 0 | 0 | 0 | 114.3 | |||||
| 124 | E | 25.4 | Very low | 30.5 | Very low | 163 Ų | 163 | 123.5 Ų | 123.5 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | -15.2 | 144.3 | 169.1 | -58.9 | 175.3 | 136.3 | 0 | 0 | 123.4 | ||||
| 125 | S | 26.5 | Very low | 30.1 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | 175 | 132.2 | 97.9 | 48.1 | 0 | 0 | 0 | 0 | 118 | |||||
| 126 | R | 23 | Very low | 29.9 | Very low | 252 Ų | 252 | 126.9 Ų | 126.9 | 95% | 0.951 | 75% | 0.75 | S | S | * | * | trans | 40.5 | 118.1 | 148 | -70.3 | 178.2 | 165.1 | 171.6 | -5 | 123.3 | ||||
| 127 | S | 28.1 | Very low | 29.3 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -148.7 | 139.2 | 138.7 | 60.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 128 | S | 29.4 | Very low | 29 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | trans | -73.3 | 133.4 | -160.3 | -149.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 129 | E | 28.6 | Very low | 28.6 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 39.6 | 104.4 | 136.7 | -59.6 | -178.4 | 137.7 | 0 | 0 | 121.6 | ||||
| 130 | F | 31.4 | Very low | 28.2 | Very low | 221 Ų | 221 | 128.4 Ų | 128.4 | 97% | 0.969 | 72% | 0.724 | S | S | * | * | trans | -116.3 | 106.6 | 137.2 | -110.1 | -94.8 | 0 | 0 | 0 | 107.8 | ||||
| 131 | A | 28.4 | Very low | 28 | Very low | 102 Ų | 102 | 129 Ų | 129 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | -88.2 | 129.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 132 | G | 26.2 | Very low | 27.9 | Very low | 77 Ų | 77 | 125.6 Ų | 125.6 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | trans | 173.2 | 19 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G134 | G132-G134 PolarHBondContact O-N 2.73Š| ||
| 133 | V | 29.6 | Very low | 28.1 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 83% | 0.83 | 72% | 0.722 | S | S | * | * | trans | -74.4 | 114.2 | -173.9 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 134 | G | 27.6 | Very low | 28.3 | Very low | 47 Ų | 47 | 120.2 Ų | 120.2 | 49% | 0.485 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -73.6 | 149.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G132 | G132-G134 PolarHBondContact O-N 2.73Š|
| 135 | P | 27.7 | Very low | 29 | Very low | 113 Ų | 113 | 115.6 Ų | 115.6 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 137.8 | -174.9 | 26.6 | -34.5 | 0 | 0 | 0 | 111.4 | ||
| 136 | P | 30.2 | Very low | 29.5 | Very low | 59 Ų | 59 | 116.5 Ų | 116.5 | 38% | 0.383 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 148.7 | 172.9 | 29.2 | -32.8 | 0 | 0 | 0 | 110.2 | V59 | V59-P136 HydrophobicContact CB-CG 3.99Å; V59-P136 HydrophobicContact CG2-CG 3.81Å |
| 137 | F | 26.3 | Very low | 30.6 | Very low | 147 Ų | 147 | 108 Ų | 108 | 65% | 0.645 | 67% | 0.669 | S | S | * | * | trans | -110.3 | 136 | -178.5 | 59.9 | -89.4 | 0 | 0 | 0 | 111.7 | L61 | L61-F137 HydrophobicContact CD1-CB 3.89Š| ||
| 138 | K | 26.5 | Very low | 31.5 | Very low | 79 Ų | 79 | 103.3 Ų | 103.3 | 34% | 0.343 | 63% | 0.634 | S | S | . | * | trans | -108.2 | 124.4 | 177 | -179.3 | -177.9 | 174.2 | -170.4 | 0 | 109.9 | Q58 V59 E60 S140 | Q58-K138 HydrophobicContact CB-CD 4.1Å; Q58-K138 HydrophobicContact CG-CD 4.19Å; V59-K138 WeakPolarHBondContact O-CB 3.49Å; V59-K138 PolarHBondContact O-N 3.03Å; E60-K138 HydrophobicContact CG-CD 4.08Å; E60-K138 IonicContact OE1-NZ 3.15Å; E60-K138 PolarHBondContact OE1-NZ 3.23Å; K138-S140 PolarHBondContact O-N 3Å | ||
| 139 | L | 26.7 | Very low | 32.1 | Very low | 160 Ų | 160 | 101.5 Ų | 101.5 | 84% | 0.838 | 62% | 0.618 | S | S | * | * | trans | -81 | 111.2 | 171.7 | -73.1 | 170.6 | 0 | 0 | 0 | 109.7 | ||||
| 140 | S | 26.5 | Very low | 32.7 | Very low | 78 Ų | 78 | 96.8 Ų | 96.8 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | trans | -75.3 | 121 | 170.3 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | K138 L142 | K138-S140 PolarHBondContact O-N 3Å; S140-L142 PolarHBondContact O-N 2.71Å | ||
| 141 | C | 27.2 | Very low | 33.2 | Very low | 122 Ų | 122 | 91.5 Ų | 91.5 | 82% | 0.824 | 59% | 0.588 | S | S | * | * | trans | -68.3 | 120 | 166.6 | -172.8 | 0 | 0 | 0 | 0 | 109 | S143 | C141-S143 PolarHBondContact O-N 3.32Š| ||
| 142 | L | 32.5 | Very low | 33.7 | Very low | 81 Ų | 81 | 95.2 Ų | 95.2 | 42% | 0.424 | 58% | 0.58 | S | S | . | * | trans | -77.6 | 103.3 | 175.1 | -74.7 | 151.2 | 0 | 0 | 0 | 108.3 | S140 S144 L148 L153 | S140-L142 PolarHBondContact O-N 2.71Å; L142-S144 PolarHBondContact O-N 3.26Å; L142-L148 HydrophobicContact CB-CD1 3.89Å; L142-L148 HydrophobicContact CD1-CD1 3.68Å; L142-L148 HydrophobicContact CD1-CD2 4.36Å; L142-L148 HydrophobicContact CD2-CD1 4.22Å; L142-L148 HydrophobicContact CG-CD1 4.11Å; L142-L153 HydrophobicContact CD1-CD1 4.36Å | ||
| 143 | S | 31.9 | Very low | 34.5 | Very low | 128 Ų | 128 | 93.8 Ų | 93.8 | 90% | 0.895 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -70.2 | -12.6 | -170.9 | 54.4 | 0 | 0 | 0 | 0 | 115 | C141 | C141-S143 PolarHBondContact O-N 3.32Š|
| 144 | S | 35.4 | Very low | 34.9 | Very low | 50 Ų | 50 | 89 Ų | 89 | 35% | 0.35 | 53% | 0.529 | S | S | . | . | trans | -133.2 | 127.3 | 167.6 | 171.9 | 0 | 0 | 0 | 0 | 108.9 | L142 D146 | L142-S144 PolarHBondContact O-N 3.26Å; S144-D146 VanDerWaalsContact C-N 3.33Å; S144-D146 PolarHBondContact OG-N 2.92Å; S144-D146 PolarHBondContact OG-OD2 3.33Å | ||
| 145 | A | 38.3 | Very low | 35.7 | Very low | 66 Ų | 66 | 90.6 Ų | 90.6 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -80.7 | -16.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S147 L148 | A145-S147 PolarHBondContact O-N 3.12Å; A145-L148 PolarHBondContact O-N 3.42Å |
| 146 | D | 38.2 | Very low | 36.2 | Very low | 132 Ų | 132 | 88.2 Ų | 88.2 | 71% | 0.706 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -72.1 | -35.5 | -166.5 | -54.9 | -45.2 | 0 | 0 | 0 | 112.4 | S144 L148 V149 | S144-D146 VanDerWaalsContact C-N 3.33Å; S144-D146 PolarHBondContact OG-N 2.92Å; S144-D146 PolarHBondContact OG-OD2 3.33Å; D146-L148 PolarHBondContact O-N 2.88Å; D146-V149 WeakPolarHBondContact O-CB 3.37Å; D146-V149 PolarHBondContact O-N 2.82Å |
| 147 | S | 46.8 | Very low | 36.5 | Very low | 73 Ų | 73 | 92 Ų | 92 | 51% | 0.51 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -74.5 | -5.2 | 179 | 67 | 0 | 0 | 0 | 0 | 114.6 | A145 R151 | A145-S147 PolarHBondContact O-N 3.12Å; S147-R151 WeakPolarHBondContact O-CD 3.38Å; S147-R151 PolarHBondContact O-NH1 3.43Å |
| 148 | L | 46 | Very low | 37.1 | Very low | 27 Ų | 27 | 96.9 Ų | 96.9 | 14% | 0.141 | 53% | 0.534 | C | S | . | . | G | 310 helix | trans | -102.7 | -16.5 | -177.5 | -66.8 | 165.9 | 0 | 0 | 0 | 112.7 | L142 A145 D146 G150 R151 I167 | L142-L148 HydrophobicContact CB-CD1 3.89Å; L142-L148 HydrophobicContact CD1-CD1 3.68Å; L142-L148 HydrophobicContact CD1-CD2 4.36Å; L142-L148 HydrophobicContact CD2-CD1 4.22Å; L142-L148 HydrophobicContact CG-CD1 4.11Å; A145-L148 PolarHBondContact O-N 3.42Å; D146-L148 PolarHBondContact O-N 2.88Å; L148-G150 PolarHBondContact O-N 2.84Å; L148-R151 WeakPolarHBondContact O-CB 3.29Å; L148-R151 PolarHBondContact O-N 3.37Å; L148-I167 HydrophobicContact CB-CB 4.37Å; L148-I167 HydrophobicContact CB-CD1 3.69Å; L148-I167 HydrophobicContact CB-CG2 3.84Å; L148-I167 HydrophobicContact CD1-CD1 4.46Å; L148-I167 HydrophobicContact CD2-CD1 3.96Å; L148-I167 HydrophobicContact CG-CD1 4.25Å; L148-I167 WeakPolarHBondContact O-CB 3.46Å |
| 149 | V | 43 | Very low | 37.7 | Very low | 65 Ų | 65 | 96.5 Ų | 96.5 | 39% | 0.394 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51.9 | 121.8 | 177.8 | 163.9 | 0 | 0 | 0 | 0 | 110.9 | D146 R151 P169 | D146-V149 WeakPolarHBondContact O-CB 3.37Å; D146-V149 PolarHBondContact O-N 2.82Å; V149-R151 VanDerWaalsContact C-N 3.29Å; V149-R151 PolarHBondContact O-N 2.86Å; V149-P169 HydrophobicContact CB-CB 4.49Å; V149-P169 HydrophobicContact CG1-CB 4.01Å; V149-P169 HydrophobicContact CG1-CG 3.77Å; V149-P169 HydrophobicContact CG2-CB 3.68Å; V149-P169 HydrophobicContact CG2-CG 4.34Å |
| 150 | G | 40.3 | Very low | 38.1 | Very low | 68 Ų | 68 | 93.5 Ų | 93.5 | 70% | 0.701 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -13.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L148 I167 | L148-G150 PolarHBondContact O-N 2.84Å; G150-I167 PolarHBondContact N-O 3.4Å |
| 151 | R | 41 | Very low | 38.6 | Very low | 110 Ų | 110 | 93.8 Ų | 93.8 | 42% | 0.415 | 54% | 0.54 | S | S | . | . | trans | -83.8 | 158.5 | 179.5 | -67.1 | -178.3 | 163.5 | 175.4 | -10 | 112.6 | S147 L148 V149 I167 | S147-R151 WeakPolarHBondContact O-CD 3.38Å; S147-R151 PolarHBondContact O-NH1 3.43Å; L148-R151 WeakPolarHBondContact O-CB 3.29Å; L148-R151 PolarHBondContact O-N 3.37Å; V149-R151 VanDerWaalsContact C-N 3.29Å; V149-R151 PolarHBondContact O-N 2.86Å; R151-I167 PolarHBondContact O-N 3.23Å | ||
| 152 | R | 39.1 | Very low | 39.2 | Very low | 180 Ų | 180 | 90.9 Ų | 90.9 | 68% | 0.679 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.2 | 171.3 | -64.5 | -175.5 | -177.6 | -173.4 | 4.5 | 110 | V164 F165 | R152-V164 HydrophobicContact CB-CG1 3.95Å; R152-F165 CarbonylContact C-O 3.54Å; R152-F165 WeakPolarHBondContact CA-O 3.41Å; R152-F165 WeakPolarHBondContact CB-O 3.34Å |
| 153 | L | 43.4 | Very low | 39.5 | Very low | 48 Ų | 48 | 90 Ų | 90 | 25% | 0.251 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 114.8 | 177.1 | -114.4 | 175.8 | 0 | 0 | 0 | 108.5 | L63 L142 V164 F165 I167 | L63-L153 HydrophobicContact CD1-CD2 4.23Å; L63-L153 HydrophobicContact CD2-CD2 3.65Å; L142-L153 HydrophobicContact CD1-CD1 4.36Å; L153-V164 CarbonylContact O-C 3.6Å; L153-V164 WeakPolarHBondContact O-CA 3.42Å; L153-F165 HydrophobicContact CB-CB 4.08Å; L153-F165 HydrophobicContact CB-CD2 4.5Å; L153-F165 PolarHBondContact N-O 3.2Å; L153-F165 PolarHBondContact O-N 3.34Å; L153-I167 HydrophobicContact CB-CD1 4.07Å; L153-I167 HydrophobicContact CD1-CD1 3.57Å; L153-I167 HydrophobicContact CD1-CG1 4.38Å; L153-I167 HydrophobicContact CG-CD1 3.75Å |
| 154 | A | 37.4 | Very low | 39.8 | Very low | 36 Ų | 36 | 87.9 Ų | 87.9 | 30% | 0.298 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V156 V163 V164 | A154-V156 HydrophobicContact CB-CG2 4.21Å; A154-V163 CarbonylContact C-O 3.46Å; A154-V163 WeakPolarHBondContact CA-O 3.43Å; A154-V164 HydrophobicContact CB-CG2 4.14Å |
| 155 | I | 44.3 | Very low | 39.9 | Very low | 81 Ų | 81 | 90 Ų | 90 | 42% | 0.415 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 114.7 | 160.9 | -63.9 | 179.2 | 0 | 0 | 0 | 106.6 | F157 A162 V163 F165 | I155-F157 HydrophobicContact CG2-CD2 4.34Å; I155-A162 PolarHBondContact O-N 3.48Å; I155-V163 HydrophobicContact CB-CB 4.48Å; I155-V163 PolarHBondContact N-O 3.02Å; I155-V163 PolarHBondContact O-N 3.3Å; I155-F165 HydrophobicContact CD1-CE2 3.62Å; I155-F165 HydrophobicContact CD1-CZ 4.21Å; I155-F165 HydrophobicContact CG1-CE2 3.92Å |
| 156 | V | 38.3 | Very low | 40 | Very low | 63 Ų | 63 | 89.8 Ų | 89.8 | 38% | 0.382 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128 | 179.8 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | A154 G159 V160 P161 | A154-V156 HydrophobicContact CB-CG2 4.21Å; V156-G159 VanDerWaalsContact CG1-C 3.45Å; V156-V160 CarbonylContact C-O 3.04Å; V156-V160 WeakPolarHBondContact CA-O 3.31Å; V156-P161 HydrophobicContact CG2-CB 4.5Å |
| 157 | F | 37.3 | Very low | 39.9 | Very low | 139 Ų | 139 | 85.4 Ų | 85.4 | 61% | 0.61 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119.2 | 172.6 | -110.6 | -93 | 0 | 0 | 0 | 108.8 | I155 G159 V160 A162 | I155-F157 HydrophobicContact CG2-CD2 4.34Å; F157-G159 VanDerWaalsContact C-N 3.31Å; F157-G159 PolarHBondContact O-N 2.81Å; F157-V160 PolarHBondContact N-O 3.41Å; F157-V160 PolarHBondContact O-N 3.05Å; F157-A162 HydrophobicContact CB-CB 4.26Å; F157-A162 HydrophobicContact CD2-CB 4.44Å |
| 158 | R | 39.6 | Very low | 39.5 | Very low | 249 Ų | 249 | 86.9 Ų | 86.9 | 94% | 0.94 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 46.2 | -179.9 | -66.4 | -176.8 | 163.5 | 176.1 | -5.4 | 113.6 | V160 | R158-V160 PolarHBondContact O-N 3.33Š|
| 159 | G | 38.7 | Very low | 39 | Very low | 71 Ų | 71 | 89 Ų | 89 | 73% | 0.732 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -2.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | V156 F157 | V156-G159 VanDerWaalsContact CG1-C 3.45Å; F157-G159 VanDerWaalsContact C-N 3.31Å; F157-G159 PolarHBondContact O-N 2.81Å |
| 160 | V | 34.4 | Very low | 38.8 | Very low | 97 Ų | 97 | 89.8 Ų | 89.8 | 59% | 0.588 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 123.8 | 177.4 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | V156 F157 R158 A162 | V156-V160 CarbonylContact C-O 3.04Å; V156-V160 WeakPolarHBondContact CA-O 3.31Å; F157-V160 PolarHBondContact N-O 3.41Å; F157-V160 PolarHBondContact O-N 3.05Å; R158-V160 PolarHBondContact O-N 3.33Å; V160-A162 PolarHBondContact O-N 3.41Å; V160-A162 VanDerWaalsContact O-N 3.09Å |
| 161 | P | 38.3 | Very low | 38.6 | Very low | 83 Ų | 83 | 92.3 Ų | 92.3 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 112.3 | 175.4 | 25.7 | -33 | 0 | 0 | 0 | 110.4 | V156 | V156-P161 HydrophobicContact CG2-CB 4.5Å |
| 162 | A | 38.4 | Very low | 38.1 | Very low | 61 Ų | 61 | 92.9 Ų | 92.9 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -37.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I155 F157 V160 | I155-A162 PolarHBondContact O-N 3.48Å; F157-A162 HydrophobicContact CB-CB 4.26Å; F157-A162 HydrophobicContact CD2-CB 4.44Å; V160-A162 PolarHBondContact O-N 3.41Å; V160-A162 VanDerWaalsContact O-N 3.09Å |
| 163 | V | 38.6 | Very low | 37.9 | Very low | 62 Ų | 62 | 93.6 Ų | 93.6 | 38% | 0.376 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 136 | 177.9 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | A154 I155 F165 | A154-V163 CarbonylContact C-O 3.46Å; A154-V163 WeakPolarHBondContact CA-O 3.43Å; I155-V163 HydrophobicContact CB-CB 4.48Å; I155-V163 PolarHBondContact N-O 3.02Å; I155-V163 PolarHBondContact O-N 3.3Å; V163-F165 HydrophobicContact CB-CE2 3.92Å; V163-F165 HydrophobicContact CB-CZ 4.24Å; V163-F165 HydrophobicContact CG1-CD2 4.18Å; V163-F165 HydrophobicContact CG1-CE1 4.13Å; V163-F165 HydrophobicContact CG1-CE2 3.5Å; V163-F165 HydrophobicContact CG1-CZ 3.49Å; V163-F165 VanDerWaalsContact CG1-CZ 3.49Å |
| 164 | V | 38 | Very low | 37.4 | Very low | 84 Ų | 84 | 95.9 Ų | 95.9 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.8 | 172.6 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | R152 L153 A154 | R152-V164 HydrophobicContact CB-CG1 3.95Å; L153-V164 CarbonylContact O-C 3.6Å; L153-V164 WeakPolarHBondContact O-CA 3.42Å; A154-V164 HydrophobicContact CB-CG2 4.14Å |
| 165 | F | 38.5 | Very low | 36.8 | Very low | 94 Ų | 94 | 99.6 Ų | 99.6 | 41% | 0.412 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.9 | 163.1 | 176.7 | -58.3 | -90.5 | 0 | 0 | 0 | 110.4 | R152 L153 I155 V163 | R152-F165 CarbonylContact C-O 3.54Å; R152-F165 WeakPolarHBondContact CA-O 3.41Å; R152-F165 WeakPolarHBondContact CB-O 3.34Å; L153-F165 HydrophobicContact CB-CB 4.08Å; L153-F165 HydrophobicContact CB-CD2 4.5Å; L153-F165 PolarHBondContact N-O 3.2Å; L153-F165 PolarHBondContact O-N 3.34Å; I155-F165 HydrophobicContact CD1-CE2 3.62Å; I155-F165 HydrophobicContact CD1-CZ 4.21Å; I155-F165 HydrophobicContact CG1-CE2 3.92Å; V163-F165 HydrophobicContact CB-CE2 3.92Å; V163-F165 HydrophobicContact CB-CZ 4.24Å; V163-F165 HydrophobicContact CG1-CD2 4.18Å; V163-F165 HydrophobicContact CG1-CE1 4.13Å; V163-F165 HydrophobicContact CG1-CE2 3.5Å; V163-F165 HydrophobicContact CG1-CZ 3.49Å; V163-F165 VanDerWaalsContact CG1-CZ 3.49Å |
| 166 | S | 40.4 | Very low | 36.2 | Very low | 63 Ų | 63 | 99.4 Ų | 99.4 | 44% | 0.441 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.7 | 172.4 | -47.3 | 0 | 0 | 0 | 0 | 108.3 | ||
| 167 | I | 36.7 | Very low | 35.7 | Very low | 39 Ų | 39 | 106.7 Ų | 106.7 | 20% | 0.2 | 57% | 0.574 | C | S | . | * | trans | -106.6 | 127.7 | -170.5 | -55.7 | 156.6 | 0 | 0 | 0 | 108.4 | L148 G150 R151 L153 | L148-I167 HydrophobicContact CB-CB 4.37Å; L148-I167 HydrophobicContact CB-CD1 3.69Å; L148-I167 HydrophobicContact CB-CG2 3.84Å; L148-I167 HydrophobicContact CD1-CD1 4.46Å; L148-I167 HydrophobicContact CD2-CD1 3.96Å; L148-I167 HydrophobicContact CG-CD1 4.25Å; L148-I167 WeakPolarHBondContact O-CB 3.46Å; G150-I167 PolarHBondContact N-O 3.4Å; R151-I167 PolarHBondContact O-N 3.23Å; L153-I167 HydrophobicContact CB-CD1 4.07Å; L153-I167 HydrophobicContact CD1-CD1 3.57Å; L153-I167 HydrophobicContact CD1-CG1 4.38Å; L153-I167 HydrophobicContact CG-CD1 3.75Å | ||
| 168 | I | 37.7 | Very low | 35.2 | Very low | 104 Ų | 104 | 108.2 Ų | 108.2 | 53% | 0.533 | 58% | 0.576 | S | S | . | * | trans | -125.2 | 134.1 | -171.1 | -61 | -179.5 | 0 | 0 | 0 | 107.2 | M1 | M1-I168 HydrophobicContact CE-CD1 3.85Š| ||
| 169 | P | 35.9 | Very low | 34.5 | Very low | 72 Ų | 72 | 101.6 Ų | 101.6 | 47% | 0.468 | 56% | 0.555 | S | S | . | * | trans | -66.1 | 150.4 | -178.3 | 25.6 | -28.5 | 0 | 0 | 0 | 110.9 | V149 E171 | V149-P169 HydrophobicContact CB-CB 4.49Å; V149-P169 HydrophobicContact CG1-CB 4.01Å; V149-P169 HydrophobicContact CG1-CG 3.77Å; V149-P169 HydrophobicContact CG2-CB 3.68Å; V149-P169 HydrophobicContact CG2-CG 4.34Å; P169-E171 PolarHBondContact O-N 3.32Å | ||
| 170 | A | 38.4 | Very low | 34 | Very low | 82 Ų | 82 | 102.8 Ų | 102.8 | 68% | 0.678 | 54% | 0.542 | S | S | * | . | trans | -93.5 | 93.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 171 | E | 35.4 | Very low | 33.6 | Very low | 120 Ų | 120 | 104.4 Ų | 104.4 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | trans | -70.3 | 127.8 | 172 | -77.1 | -165.7 | 160.8 | 0 | 0 | 111.5 | L11 P169 F173 Y174 | L11-E171 WeakPolarHBondContact CD2-O 3.21Å; P169-E171 PolarHBondContact O-N 3.32Å; E171-F173 PolarHBondContact O-N 2.83Å; E171-Y174 PolarHBondContact O-N 3.16Å | ||
| 172 | P | 32 | Very low | 33.2 | Very low | 122 Ų | 122 | 108.4 Ų | 108.4 | 79% | 0.792 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 3 | -171.2 | 25.9 | -33.1 | 0 | 0 | 0 | 116.2 | ||
| 173 | F | 33.6 | Very low | 32.7 | Very low | 196 Ų | 196 | 108.7 Ų | 108.7 | 86% | 0.86 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 4.8 | 179.9 | -80.7 | -77.9 | 0 | 0 | 0 | 115.2 | E171 C175 | E171-F173 PolarHBondContact O-N 2.83Å; F173-C175 PolarHBondContact O-N 3.45Å |
| 174 | Y | 32.6 | Very low | 32.2 | Very low | 95 Ų | 95 | 112.6 Ų | 112.6 | 37% | 0.373 | 58% | 0.578 | S | S | . | * | trans | -94 | 70.8 | -167.2 | -162 | -49.1 | 0 | 0 | 0 | 111.2 | L11 S12 V13 E171 Q176 | L11-Y174 VanDerWaalsContact CD2-CB 3.47Å; L11-Y174 HydrophobicContact CD2-CD1 4.5Å; L11-Y174 HydrophobicContact CD2-CG 4.22Å; L11-Y174 VanDerWaalsContact CD2-O 3.25Å; L11-Y174 WeakPolarHBondContact CD2-O 3.36Å; S12-Y174 VanDerWaalsContact O-CE1 3.26Å; S12-Y174 WeakPolarHBondContact O-CE1 3.42Å; V13-Y174 PolarHBondContact O-OH 3.37Å; V13-Y174 VanDerWaalsContact O-OH 3.05Å; E171-Y174 PolarHBondContact O-N 3.16Å; Y174-Q176 PolarHBondContact O-N 3.29Å | ||
| 175 | C | 26.1 | Very low | 31.7 | Very low | 114 Ų | 114 | 115.4 Ų | 115.4 | 77% | 0.77 | 60% | 0.596 | S | S | * | * | trans | -49.3 | 125 | 170 | -87 | 0 | 0 | 0 | 0 | 111 | F173 R177 | F173-C175 PolarHBondContact O-N 3.45Å; C175-R177 VanDerWaalsContact C-N 3.32Å; C175-R177 PolarHBondContact O-N 3.17Å | ||
| 176 | Q | 32.3 | Very low | 31.3 | Very low | 78 Ų | 78 | 113.6 Ų | 113.6 | 36% | 0.364 | 60% | 0.595 | S | S | . | * | trans | -68.1 | 82.7 | -175.2 | 173.3 | 130.2 | 56.2 | 0 | 0 | 112 | L11 S12 Y174 R178 | L11-Q176 VanDerWaalsContact C-CD 3.45Å; L11-Q176 VanDerWaalsContact N-OE1 3.17Å; L11-Q176 PolarHBondContact O-NE2 3.04Å; L11-Q176 VanDerWaalsContact O-NE2 3.15Å; L11-Q176 PolarHBondContact O-OE1 3.12Å; S12-Q176 VanDerWaalsContact CA-NE2 3.3Å; S12-Q176 VanDerWaalsContact OG-CG 3.22Å; S12-Q176 WeakPolarHBondContact OG-CG 3.22Å; S12-Q176 PolarHBondContact OG-NE2 3.39Å; Y174-Q176 PolarHBondContact O-N 3.29Å; Q176-R178 PolarHBondContact O-N 2.91Å | ||
| 177 | R | 26.5 | Very low | 30.8 | Very low | 216 Ų | 216 | 118.7 Ų | 118.7 | 82% | 0.815 | 61% | 0.612 | S | S | * | * | trans | -52.9 | 112.5 | 160.1 | -71.7 | -166.7 | -163 | -173.4 | 7.7 | 106.8 | S12 C175 H179 | S12-R177 PolarHBondContact OG-O 3.48Å; C175-R177 VanDerWaalsContact C-N 3.32Å; C175-R177 PolarHBondContact O-N 3.17Å; R177-H179 PolarHBondContact O-N 3.06Å | ||
| 178 | R | 26.4 | Very low | 30.3 | Very low | 171 Ų | 171 | 123.1 Ų | 123.1 | 65% | 0.645 | 65% | 0.645 | S | S | * | * | trans | -58.5 | 122.6 | 170.1 | -72.4 | 172.2 | 173.5 | 139.9 | -5 | 107.4 | Q176 H180 | Q176-R178 PolarHBondContact O-N 2.91Å; R178-H180 WeakPolarHBondContact CD-CE1 3.1Å; R178-H180 PolarHBondContact O-CD2 3.29Å; R178-H180 PolarHBondContact O-N 3.2Å | ||
| 179 | H | 25.6 | Very low | 29.9 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 51% | 0.505 | 65% | 0.654 | S | S | . | * | trans | -68.4 | 90.7 | 153.7 | -99.6 | -109.1 | 0 | 0 | 0 | 107.4 | V13 R177 T181 | V13-H179 HydrophobicContact CG1-CB 4.32Å; V13-H179 WeakPolarHBondContact CG1-CD2 3.43Å; R177-H179 PolarHBondContact O-N 3.06Å; H179-T181 PolarHBondContact O-N 2.82Å | ||
| 180 | H | 28.1 | Very low | 29.5 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 45% | 0.449 | 67% | 0.672 | S | S | . | * | trans | -70.7 | 74.9 | 175.5 | -78.5 | -67.6 | 0 | 0 | 0 | 110.3 | R178 S183 | R178-H180 WeakPolarHBondContact CD-CE1 3.1Å; R178-H180 PolarHBondContact O-CD2 3.29Å; R178-H180 PolarHBondContact O-N 3.2Å; H180-S183 VanDerWaalsContact ND1-CB 3.34Å; H180-S183 WeakPolarHBondContact ND1-CB 3.45Å | ||
| 181 | T | 26.6 | Very low | 29.1 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -109 | 21.7 | 158.2 | 52.1 | 0 | 0 | 0 | 0 | 112 | H179 | H179-T181 PolarHBondContact O-N 2.82Š|
| 182 | L | 29 | Very low | 28.8 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -148.8 | 100.1 | 156 | -84.2 | 178.5 | 0 | 0 | 0 | 105.9 | ||
| 183 | S | 27.5 | Very low | 28.6 | Very low | 66 Ų | 66 | 128.4 Ų | 128.4 | 46% | 0.462 | 69% | 0.692 | S | S | . | * | trans | -153 | 105.6 | -167.3 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | H180 | H180-S183 VanDerWaalsContact ND1-CB 3.34Å; H180-S183 WeakPolarHBondContact ND1-CB 3.45Å | ||
| 184 | K | 29.5 | Very low | 28.4 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 63% | 0.63 | 70% | 0.695 | S | S | * | * | trans | 31.3 | 95.8 | 138 | -67.2 | -172.7 | 157.7 | -137.2 | 0 | 116.8 | ||||
| 185 | T | 28.1 | Very low | 28 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 87% | 0.871 | 72% | 0.719 | S | S | * | * | trans | -120.1 | 68.8 | 135.4 | 47.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 186 | S | 28.6 | Very low | 28.2 | Very low | 57 Ų | 57 | 134.4 Ų | 134.4 | 40% | 0.399 | 72% | 0.719 | S | S | . | * | trans | -121.9 | 86.7 | 158 | 64.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 187 | E | 31.3 | Very low | 27.9 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -170.2 | 145.2 | 158.4 | -100 | 137.3 | -138.3 | 0 | 0 | 106.4 | ||
| 188 | C | 25.7 | Very low | 28 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 89% | 0.892 | 74% | 0.738 | S | S | * | * | trans | -89.1 | 137.6 | -168.9 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 189 | S | 28.6 | Very low | 27.9 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | 176 | 123.2 | 138.8 | 55.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 190 | E | 27.4 | Very low | 28.1 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | 48.1 | 108.9 | 132.7 | -55.9 | 178.2 | 154.4 | 0 | 0 | 120.4 | ||||
| 191 | S | 30.7 | Very low | 28 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | -170.3 | 129.6 | 124.6 | -81.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 192 | P | 28.6 | Very low | 28.2 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | -92.1 | 148.6 | -179.4 | 35.5 | -33.6 | 0 | 0 | 0 | 113.2 | ||||
| 193 | G | 27.4 | Very low | 28.1 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 92.2 | 121.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 194 | L | 30.1 | Very low | 28.3 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | -177.7 | 128.7 | 95.9 | -90.2 | 168.3 | 0 | 0 | 0 | 109.7 | |||||
| 195 | R | 24.7 | Very low | 28.2 | Very low | 236 Ų | 236 | 136.4 Ų | 136.4 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -72.7 | 144.2 | 169.9 | -71.7 | 174 | 165.4 | 177.3 | -6.2 | 109.8 | ||||
| 196 | P | 29.6 | Very low | 28.2 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -81.4 | 107.2 | 144.6 | 12.8 | 4.8 | 0 | 0 | 0 | 108.2 | ||||
| 197 | S | 25.6 | Very low | 28.2 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 82% | 0.819 | S | S | * | * | trans | -73.1 | 141.7 | 156.1 | -164.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 198 | F | 28.2 | Very low | 28.3 | Very low | 200 Ų | 200 | 136.5 Ų | 136.5 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -125.3 | 86.5 | 172.3 | -122.3 | -84.4 | 0 | 0 | 0 | 110.5 | ||||
| 199 | E | 25.5 | Very low | 28.5 | Very low | 188 Ų | 188 | 134.7 Ų | 134.7 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -132.6 | 110 | 170.1 | -169.8 | 164.1 | -141.4 | 0 | 0 | 104.9 | ||||
| 200 | G | 28.7 | Very low | 28.5 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | trans | 175.3 | 81.8 | -163 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 201 | V | 26.4 | Very low | 28.7 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 76% | 0.758 | 83% | 0.826 | S | S | * | * | trans | -65.5 | 143.5 | 172.9 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | L203 | V201-L203 HydrophobicContact CG1-CG 4.2Š| ||
| 202 | H | 30.3 | Very low | 28.4 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 90% | 0.903 | 82% | 0.818 | S | S | * | * | trans | -137.1 | 126.1 | 153.9 | -122.3 | -83.1 | 0 | 0 | 0 | 111.8 | ||||
| 203 | L | 26.8 | Very low | 28.3 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -92.9 | 126.3 | -178.3 | -75.4 | 158.5 | 0 | 0 | 0 | 111 | V201 | V201-L203 HydrophobicContact CG1-CG 4.2Š| ||
| 204 | A | 31.8 | Very low | 28.3 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | trans | -162.4 | 134 | 151.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 205 | G | 27.2 | Very low | 28.2 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | cis | 140.8 | 78.7 | 11.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 206 | G | 29 | Very low | 28.5 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 173.9 | 103.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 207 | S | 28.7 | Very low | 28.3 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -29 | 129.5 | 172.6 | -46.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 208 | H | 33.5 | Very low | 28.3 | Very low | 186 Ų | 186 | 133 Ų | 133 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | -175.8 | 137.5 | 116.4 | -97.3 | -68.4 | 0 | 0 | 0 | 113 | |||||
| 209 | A | 30.4 | Very low | 28.5 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 50.1 | 97 | 160 | 0 | 0 | 0 | 0 | 0 | 119.4 | Q211 | A209-Q211 PolarHBondContact O-N 3.09Š| ||
| 210 | I | 27.2 | Very low | 28.6 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -73.6 | 118.2 | 157.4 | -62.2 | 168.2 | 0 | 0 | 0 | 108.5 | ||||
| 211 | Q | 31.8 | Very low | 28.5 | Very low | 197 Ų | 197 | 129.5 Ų | 129.5 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -108.6 | 136.6 | 148.7 | -86.7 | -169.9 | -10.1 | 0 | 0 | 108.8 | A209 | A209-Q211 PolarHBondContact O-N 3.09Š| ||
| 212 | S | 25.2 | Very low | 28.8 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | -99.1 | 172.4 | -162.9 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 213 | T | 26.9 | Very low | 29.4 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 98 | 82.6 | 149.3 | -20.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 214 | V | 27.1 | Very low | 30.2 | Very low | 129 Ų | 129 | 120.4 Ų | 120.4 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | trans | 71.8 | 142.3 | 138.4 | -173 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 215 | S | 27.5 | Very low | 31.5 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | 87.9 | 48.4 | 169.1 | -46.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 216 | Q | 30.3 | Very low | 32.8 | Very low | 192 Ų | 192 | 120.5 Ų | 120.5 | 90% | 0.897 | 72% | 0.721 | S | S | * | * | trans | -134 | 51.9 | 161.4 | -69.3 | -164.5 | 13.2 | 0 | 0 | 114.5 | A218 | Q216-A218 VanDerWaalsContact C-N 3.32Å; Q216-A218 PolarHBondContact O-N 2.94Å | ||
| 217 | S | 26.4 | Very low | 34.2 | Very low | 128 Ų | 128 | 121 Ų | 121 | 90% | 0.895 | 70% | 0.702 | S | S | * | * | trans | -89.6 | 69.7 | 156.3 | 57.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 218 | A | 26.3 | Very low | 35.6 | Very low | 77 Ų | 77 | 116 Ų | 116 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | -130.2 | 105.3 | -171 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q216 | Q216-A218 VanDerWaalsContact C-N 3.32Å; Q216-A218 PolarHBondContact O-N 2.94Å | ||
| 219 | Q | 30.5 | Very low | 36.6 | Very low | 167 Ų | 167 | 112.4 Ų | 112.4 | 78% | 0.78 | 65% | 0.654 | S | S | * | * | trans | 62.8 | 88.9 | 150.2 | -54.7 | 177.5 | 10.9 | 0 | 0 | 117.6 | S221 | Q219-S221 PolarHBondContact O-N 3.24Š| ||
| 220 | S | 27.5 | Very low | 37.7 | Very low | 125 Ų | 125 | 110 Ų | 110 | 87% | 0.874 | 63% | 0.631 | S | S | * | * | trans | -71.7 | 60.6 | 147.3 | 47.9 | 0 | 0 | 0 | 0 | 110.8 | V222 | S220-V222 PolarHBondContact O-N 3.43Š| ||
| 221 | S | 27.7 | Very low | 38.8 | Very low | 87 Ų | 87 | 103.7 Ų | 103.7 | 61% | 0.608 | 60% | 0.601 | S | S | * | * | trans | -73.5 | 88.8 | 175.1 | 43.9 | 0 | 0 | 0 | 0 | 110 | Q219 S223 | Q219-S221 PolarHBondContact O-N 3.24Å; S221-S223 PolarHBondContact O-N 3.24Å | ||
| 222 | V | 33.1 | Very low | 39.7 | Very low | 132 Ų | 132 | 99.2 Ų | 99.2 | 80% | 0.8 | 59% | 0.589 | S | S | * | * | trans | -50.1 | 109.8 | 164.7 | -90.5 | 0 | 0 | 0 | 0 | 108.6 | S220 F224 | S220-V222 PolarHBondContact O-N 3.43Å; V222-F224 PolarHBondContact O-N 3.16Å; V222-F224 VanDerWaalsContact O-N 3.08Å | ||
| 223 | S | 43.4 | Very low | 40.3 | Very low | 70 Ų | 70 | 101.1 Ų | 101.1 | 49% | 0.49 | 59% | 0.59 | S | S | . | * | trans | -66.9 | 116.1 | -172.6 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | S221 M225 E226 | S221-S223 PolarHBondContact O-N 3.24Å; S223-M225 PolarHBondContact O-N 3.31Å; S223-E226 WeakPolarHBondContact O-CB 3.36Å; S223-E226 PolarHBondContact O-N 3.06Å | ||
| 224 | F | 43 | Very low | 40.9 | Very low | 85 Ų | 85 | 97.6 Ų | 97.6 | 37% | 0.373 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -52.3 | -33.3 | -177.7 | -177.5 | -114.8 | 0 | 0 | 0 | 113.7 | V222 E226 L397 P398 V401 | V222-F224 PolarHBondContact O-N 3.16Å; V222-F224 VanDerWaalsContact O-N 3.08Å; F224-E226 VanDerWaalsContact C-N 3.28Å; F224-E226 PolarHBondContact O-N 3.46Å; F224-L397 HydrophobicContact CE1-CB 4.29Å; F224-L397 HydrophobicContact CE1-CD2 4.15Å; F224-L397 HydrophobicContact CE1-CG 3.8Å; F224-L397 HydrophobicContact CE2-CB 4.4Å; F224-L397 HydrophobicContact CE2-CD2 4.13Å; F224-L397 HydrophobicContact CE2-CG 4.37Å; F224-L397 HydrophobicContact CZ-CB 3.51Å; F224-L397 HydrophobicContact CZ-CD2 3.52Å; F224-L397 HydrophobicContact CZ-CG 3.36Å; F224-P398 HydrophobicContact CD1-CG 4.24Å; F224-P398 HydrophobicContact CD2-CG 4.29Å; F224-P398 VanDerWaalsContact CE1-CA 3.48Å; F224-P398 HydrophobicContact CE1-CB 4.02Å; F224-P398 HydrophobicContact CE1-CG 3.66Å; F224-P398 VanDerWaalsContact CE1-N 3.34Å; F224-P398 HydrophobicContact CE2-CG 3.7Å; F224-P398 HydrophobicContact CZ-CB 4.2Å; F224-P398 HydrophobicContact CZ-CG 3.36Å; F224-V401 HydrophobicContact CE1-CG2 4.04Å |
| 225 | M | 58.1 | Low | 42 | Very low | 72 Ų | 72 | 99.9 Ų | 99.9 | 36% | 0.355 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -71.5 | -12 | 176.8 | -68.5 | -94.8 | 89.8 | 0 | 0 | 114.5 | S223 H227 L228 N229 P398 V401 | S223-M225 PolarHBondContact O-N 3.31Å; M225-H227 PolarHBondContact O-N 3.2Å; M225-L228 HydrophobicContact CE-CD1 3.96Å; M225-L228 WeakPolarHBondContact O-CA 3.47Å; M225-L228 PolarHBondContact O-N 3.3Å; M225-N229 PolarHBondContact O-N 3.36Å; M225-P398 HydrophobicContact CE-CB 4.4Å; M225-V401 HydrophobicContact CE-CB 4.37Å; M225-V401 HydrophobicContact CE-CG1 3.98Å |
| 226 | E | 54.6 | Low | 42.9 | Very low | 122 Ų | 122 | 102.4 Ų | 102.4 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -59.4 | -33.7 | -174.5 | -172.1 | 169.6 | -168.3 | 0 | 0 | 112.6 | S223 F224 L228 N229 | S223-E226 WeakPolarHBondContact O-CB 3.36Å; S223-E226 PolarHBondContact O-N 3.06Å; F224-E226 VanDerWaalsContact C-N 3.28Å; F224-E226 PolarHBondContact O-N 3.46Å; E226-L228 PolarHBondContact O-N 2.95Å; E226-N229 PolarHBondContact O-N 2.98Å |
| 227 | H | 58.7 | Low | 43 | Very low | 88 Ų | 88 | 96.9 Ų | 96.9 | 41% | 0.407 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -63.7 | -23.9 | 173.9 | -60.7 | 87.3 | 0 | 0 | 0 | 113.7 | M225 Y395 | M225-H227 PolarHBondContact O-N 3.2Å; H227-Y395 HydrophobicContact CB-CD1 4.33Å; H227-Y395 HydrophobicContact CB-CE1 3.92Å; H227-Y395 VanDerWaalsContact O-CE1 3.31Å; H227-Y395 WeakPolarHBondContact O-CE1 3.41Å |
| 228 | L | 58.9 | Low | 43.7 | Very low | 4 Ų | 4 | 94.2 Ų | 94.2 | 2% | 0.021 | 50% | 0.499 | C | S | . | . | G | 310 helix | trans | -102.2 | -1.9 | 179.2 | -67 | -170.9 | 0 | 0 | 0 | 114 | M225 E226 P230 L355 Y395 P398 V399 A402 | M225-L228 HydrophobicContact CE-CD1 3.96Å; M225-L228 WeakPolarHBondContact O-CA 3.47Å; M225-L228 PolarHBondContact O-N 3.3Å; E226-L228 PolarHBondContact O-N 2.95Å; L228-P230 WeakPolarHBondContact O-CD 3.46Å; L228-P230 VanDerWaalsContact O-N 3.1Å; L228-L355 HydrophobicContact CD2-CD1 3.9Å; L228-L355 HydrophobicContact CD2-CD2 4.23Å; L228-L355 HydrophobicContact CD2-CG 4.3Å; L228-Y395 HydrophobicContact CD2-CD1 3.9Å; L228-Y395 HydrophobicContact CD2-CE1 4.31Å; L228-P398 VanDerWaalsContact CD1-C 3.48Å; L228-P398 HydrophobicContact CD1-CB 3.56Å; L228-P398 VanDerWaalsContact CD1-O 3.27Å; L228-P398 WeakPolarHBondContact CD1-O 3.07Å; L228-P398 HydrophobicContact CG-CB 3.74Å; L228-V399 HydrophobicContact CD2-CG2 4.31Å; L228-A402 HydrophobicContact CD1-CB 3.8Å |
| 229 | N | 54.9 | Low | 44.6 | Very low | 109 Ų | 109 | 96.7 Ų | 96.7 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | trans | -64 | 112.6 | -178.4 | -96.8 | -37.3 | 0 | 0 | 0 | 110.6 | M225 E226 | M225-N229 PolarHBondContact O-N 3.36Å; E226-N229 PolarHBondContact O-N 2.98Å | ||
| 230 | P | 53.6 | Low | 45.2 | Very low | 43 Ų | 43 | 92.5 Ų | 92.5 | 28% | 0.279 | 49% | 0.492 | S | S | . | . | trans | -70.5 | 141 | -178.6 | 30.1 | -34.6 | 0 | 0 | 0 | 110 | L228 F234 G345 D348 | L228-P230 WeakPolarHBondContact O-CD 3.46Å; L228-P230 VanDerWaalsContact O-N 3.1Å; P230-F234 HydrophobicContact CB-CB 4.15Å; P230-F234 HydrophobicContact CB-CD1 3.97Å; P230-F234 HydrophobicContact CB-CG 4.3Å; P230-G345 WeakPolarHBondContact CB-O 3.38Å; P230-D348 WeakPolarHBondContact CA-OD2 3.35Å | ||
| 231 | S | 49.4 | Very low | 45.7 | Very low | 33 Ų | 33 | 89.7 Ų | 89.7 | 23% | 0.231 | 47% | 0.469 | C | S | . | . | trans | -49.9 | 147.7 | 178.3 | 65.4 | 0 | 0 | 0 | 0 | 111.6 | I233 F234 R235 D348 | S231-I233 PolarHBondContact O-N 2.99Å; S231-F234 WeakPolarHBondContact O-CA 3.43Å; S231-F234 WeakPolarHBondContact O-CB 3.33Å; S231-F234 PolarHBondContact O-N 3.21Å; S231-F234 PolarHBondContact OG-N 3.4Å; S231-R235 PolarHBondContact O-N 3.15Å; S231-D348 WeakPolarHBondContact CB-OD1 3.4Å; S231-D348 WeakPolarHBondContact CB-OD2 3.37Å; S231-D348 PolarHBondContact N-OD2 3.19Å; S231-D348 PolarHBondContact OG-OD1 3.41Å | ||
| 232 | P | 50.7 | Low | 46.2 | Very low | 103 Ų | 103 | 88 Ų | 88 | 67% | 0.669 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.2 | -19.1 | 179.4 | 23.3 | -33.7 | 0 | 0 | 0 | 112.9 | K236 | P232-K236 PolarHBondContact O-N 3.02Å |
| 233 | I | 38.4 | Very low | 46.5 | Very low | 138 Ų | 138 | 86.9 Ų | 86.9 | 71% | 0.708 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -68.6 | -48.1 | 170.3 | -58.8 | 172.3 | 0 | 0 | 0 | 110.4 | S231 K236 Y237 | S231-I233 PolarHBondContact O-N 2.99Å; I233-K236 PolarHBondContact O-N 3.29Å; I233-Y237 PolarHBondContact O-N 3.04Å; I233-Y237 VanDerWaalsContact O-N 3.07Å |
| 234 | F | 39.5 | Very low | 46.3 | Very low | 42 Ų | 42 | 87.7 Ų | 87.7 | 18% | 0.184 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -67 | -35.9 | 178.7 | -164.9 | -79.3 | 0 | 0 | 0 | 112.1 | P230 S231 K236 Y237 R238 G345 I347 | P230-F234 HydrophobicContact CB-CB 4.15Å; P230-F234 HydrophobicContact CB-CD1 3.97Å; P230-F234 HydrophobicContact CB-CG 4.3Å; S231-F234 WeakPolarHBondContact O-CA 3.43Å; S231-F234 WeakPolarHBondContact O-CB 3.33Å; S231-F234 PolarHBondContact O-N 3.21Å; S231-F234 PolarHBondContact OG-N 3.4Å; F234-K236 VanDerWaalsContact C-N 3.29Å; F234-K236 PolarHBondContact O-N 3.04Å; F234-Y237 WeakPolarHBondContact O-CB 3.47Å; F234-Y237 PolarHBondContact O-N 3.17Å; F234-R238 PolarHBondContact O-N 2.78Å; F234-G345 WeakPolarHBondContact CD1-O 3.21Å; F234-G345 VanDerWaalsContact CE1-CA 3.46Å; F234-G345 VanDerWaalsContact CE1-O 3.25Å; F234-G345 WeakPolarHBondContact CE1-O 3.46Å; F234-I347 VanDerWaalsContact CD2-O 3.28Å; F234-I347 WeakPolarHBondContact CD2-O 3.36Å; F234-I347 WeakPolarHBondContact CE2-O 3.4Å |
| 235 | R | 49.2 | Very low | 46.2 | Very low | 176 Ų | 176 | 86.4 Ų | 86.4 | 66% | 0.664 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57 | -40.6 | 172.6 | -170.6 | 172.6 | -178.2 | 156.1 | 0.3 | 112.5 | S231 Q239 | S231-R235 PolarHBondContact O-N 3.15Å; R235-Q239 PolarHBondContact O-N 3.49Å |
| 236 | K | 46 | Very low | 45.2 | Very low | 157 Ų | 157 | 87.5 Ų | 87.5 | 68% | 0.683 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.3 | -37.4 | 173.4 | -70.3 | -179.1 | 177.9 | -176.6 | 0 | 112.4 | P232 I233 F234 Q239 A240 | P232-K236 PolarHBondContact O-N 3.02Å; I233-K236 PolarHBondContact O-N 3.29Å; F234-K236 VanDerWaalsContact C-N 3.29Å; F234-K236 PolarHBondContact O-N 3.04Å; K236-Q239 PolarHBondContact O-N 2.95Å; K236-A240 PolarHBondContact O-N 2.7Å |
| 237 | Y | 34.2 | Very low | 44.7 | Very low | 77 Ų | 77 | 85.2 Ų | 85.2 | 30% | 0.302 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.8 | -170.7 | -97.5 | 0 | 0 | 0 | 112.1 | I233 F234 Q239 A240 V241 | I233-Y237 PolarHBondContact O-N 3.04Å; I233-Y237 VanDerWaalsContact O-N 3.07Å; F234-Y237 WeakPolarHBondContact O-CB 3.47Å; F234-Y237 PolarHBondContact O-N 3.17Å; Y237-Q239 PolarHBondContact O-N 2.99Å; Y237-A240 PolarHBondContact O-N 2.81Å; Y237-A240 VanDerWaalsContact O-N 3.12Å; Y237-V241 HydrophobicContact CD1-CG2 4.01Å; Y237-V241 HydrophobicContact CD2-CG2 4.39Å; Y237-V241 HydrophobicContact CE1-CB 4.45Å; Y237-V241 HydrophobicContact CE1-CG2 3.58Å; Y237-V241 HydrophobicContact CE2-CG2 4.01Å; Y237-V241 HydrophobicContact CG-CG2 4.39Å; Y237-V241 PolarHBondContact O-N 3.46Å |
| 238 | R | 39.9 | Very low | 43.8 | Very low | 72 Ų | 72 | 85.9 Ų | 85.9 | 27% | 0.272 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.4 | -47.4 | 175.1 | 179.3 | 177.3 | 173.4 | 165.9 | -1.1 | 111.9 | F234 A240 V241 F242 K344 | F234-R238 PolarHBondContact O-N 2.78Å; R238-A240 VanDerWaalsContact C-N 3.26Å; R238-A240 PolarHBondContact O-N 3.01Å; R238-V241 PolarHBondContact O-N 3.45Å; R238-F242 PolarHBondContact O-N 3.28Å; R238-K344 PolarHBondContact NH1-O 3.27Å |
| 239 | Q | 46.1 | Very low | 43 | Very low | 129 Ų | 129 | 91.2 Ų | 91.2 | 60% | 0.603 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -30.4 | 177.7 | -71.1 | 175.6 | -31.3 | 0 | 0 | 113.1 | R235 K236 Y237 | R235-Q239 PolarHBondContact O-N 3.49Å; K236-Q239 PolarHBondContact O-N 2.95Å; Y237-Q239 PolarHBondContact O-N 2.99Å |
| 240 | A | 42.3 | Very low | 42.3 | Very low | 79 Ų | 79 | 88.4 Ų | 88.4 | 65% | 0.653 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -81.9 | -33.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K236 Y237 R238 | K236-A240 PolarHBondContact O-N 2.7Å; Y237-A240 PolarHBondContact O-N 2.81Å; Y237-A240 VanDerWaalsContact O-N 3.12Å; R238-A240 VanDerWaalsContact C-N 3.26Å; R238-A240 PolarHBondContact O-N 3.01Å |
| 241 | V | 37.2 | Very low | 41.6 | Very low | 66 Ų | 66 | 92.6 Ų | 92.6 | 40% | 0.4 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -90.4 | -33.5 | -178 | 178.5 | 0 | 0 | 0 | 0 | 112.4 | Y237 R238 P243 | Y237-V241 HydrophobicContact CD1-CG2 4.01Å; Y237-V241 HydrophobicContact CD2-CG2 4.39Å; Y237-V241 HydrophobicContact CE1-CB 4.45Å; Y237-V241 HydrophobicContact CE1-CG2 3.58Å; Y237-V241 HydrophobicContact CE2-CG2 4.01Å; Y237-V241 HydrophobicContact CG-CG2 4.39Å; Y237-V241 PolarHBondContact O-N 3.46Å; R238-V241 PolarHBondContact O-N 3.45Å; V241-P243 WeakPolarHBondContact O-CD 3.48Å |
| 242 | F | 39.1 | Very low | 41.2 | Very low | 51 Ų | 51 | 92.3 Ų | 92.3 | 22% | 0.224 | 51% | 0.507 | C | S | . | . | trans | -125.5 | 62.4 | -179 | -56.8 | -74.5 | 0 | 0 | 0 | 111.7 | R238 S244 L245 L343 | R238-F242 PolarHBondContact O-N 3.28Å; F242-S244 PolarHBondContact O-N 3.46Å; F242-S244 VanDerWaalsContact O-N 3.12Å; F242-L245 HydrophobicContact CB-CB 4.19Å; F242-L245 HydrophobicContact CB-CD1 3.78Å; F242-L245 HydrophobicContact CB-CG 4.02Å; F242-L245 HydrophobicContact CD1-CD1 3.99Å; F242-L245 HydrophobicContact CG-CD1 3.93Å; F242-L245 PolarHBondContact O-N 3.07Å; F242-L343 HydrophobicContact CZ-CD2 4.5Å | ||
| 243 | P | 39.5 | Very low | 40.6 | Very low | 108 Ų | 108 | 91.4 Ų | 91.4 | 70% | 0.701 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.1 | -177.6 | 27.2 | -35.8 | 0 | 0 | 0 | 113.9 | V241 | V241-P243 WeakPolarHBondContact O-CD 3.48Š|
| 244 | S | 39.9 | Very low | 40.4 | Very low | 87 Ų | 87 | 87.7 Ų | 87.7 | 61% | 0.608 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -16.5 | 178 | 49.2 | 0 | 0 | 0 | 0 | 115 | F242 T246 | F242-S244 PolarHBondContact O-N 3.46Å; F242-S244 VanDerWaalsContact O-N 3.12Å; S244-T246 PolarHBondContact O-N 3.38Å; S244-T246 VanDerWaalsContact O-N 3.07Å |
| 245 | L | 39.3 | Very low | 40.5 | Very low | 59 Ų | 59 | 88.8 Ų | 88.8 | 31% | 0.309 | 50% | 0.496 | S | S | . | . | trans | -86.4 | 79.4 | -175 | -67.3 | -177.6 | 0 | 0 | 0 | 111.6 | F242 | F242-L245 HydrophobicContact CB-CB 4.19Å; F242-L245 HydrophobicContact CB-CD1 3.78Å; F242-L245 HydrophobicContact CB-CG 4.02Å; F242-L245 HydrophobicContact CD1-CD1 3.99Å; F242-L245 HydrophobicContact CG-CD1 3.93Å; F242-L245 PolarHBondContact O-N 3.07Å | ||
| 246 | T | 38.6 | Very low | 40.1 | Very low | 94 Ų | 94 | 82.8 Ų | 82.8 | 58% | 0.577 | 47% | 0.474 | S | S | * | . | trans | -66.2 | 147.4 | 169.1 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | S244 S248 Q249 | S244-T246 PolarHBondContact O-N 3.38Å; S244-T246 VanDerWaalsContact O-N 3.07Å; T246-S248 PolarHBondContact O-N 3.25Å; T246-Q249 PolarHBondContact O-N 2.88Å; T246-Q249 VanDerWaalsContact O-N 3.15Å | ||
| 247 | G | 42.9 | Very low | 39.6 | Very low | 74 Ų | 74 | 82 Ų | 82 | 76% | 0.763 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -2 | -165.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 248 | S | 41 | Very low | 39.9 | Very low | 103 Ų | 103 | 82.9 Ų | 82.9 | 72% | 0.72 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 2.6 | 175.9 | 72.6 | 0 | 0 | 0 | 0 | 113.8 | T246 F250 | T246-S248 PolarHBondContact O-N 3.25Å; S248-F250 PolarHBondContact O-N 2.88Å |
| 249 | Q | 41.4 | Very low | 39.8 | Very low | 116 Ų | 116 | 81.5 Ų | 81.5 | 54% | 0.542 | 49% | 0.488 | S | S | . | . | trans | -91.2 | 25.5 | 179.4 | -156.1 | 172.7 | 58.9 | 0 | 0 | 112.6 | T246 | T246-Q249 PolarHBondContact O-N 2.88Å; T246-Q249 VanDerWaalsContact O-N 3.15Å | ||
| 250 | F | 39.3 | Very low | 39.4 | Very low | 49 Ų | 49 | 78.1 Ų | 78.1 | 22% | 0.215 | 48% | 0.482 | C | S | . | . | trans | -95.5 | 23.5 | -179.9 | -115.1 | -65.4 | 0 | 0 | 0 | 114.4 | S248 L252 K344 | S248-F250 PolarHBondContact O-N 2.88Å; F250-L252 HydrophobicContact CD1-CB 4.15Å; F250-L252 HydrophobicContact CE1-CB 4.3Å; F250-L252 HydrophobicContact CE1-CD1 4Å; F250-L252 HydrophobicContact CE1-CD2 4.23Å; F250-L252 HydrophobicContact CE1-CG 4.41Å; F250-L252 PolarHBondContact O-N 2.93Å; F250-K344 HydrophobicContact CD1-CD 4.44Å; F250-K344 VanDerWaalsContact CD1-CE 3.41Å; F250-K344 HydrophobicContact CD1-CG 4.26Å; F250-K344 HydrophobicContact CE1-CD 3.96Å; F250-K344 HydrophobicContact CE1-CG 3.49Å; F250-K344 VanDerWaalsContact CE1-CG 3.49Å; F250-K344 HydrophobicContact CE2-CG 3.81Å; F250-K344 HydrophobicContact CZ-CB 4.25Å; F250-K344 HydrophobicContact CZ-CD 4.2Å; F250-K344 HydrophobicContact CZ-CG 3.22Å | ||
| 251 | D | 38.8 | Very low | 39 | Very low | 131 Ų | 131 | 77.9 Ų | 77.9 | 70% | 0.701 | 49% | 0.487 | S | S | * | . | trans | -71.2 | 59.5 | 160.4 | -68.3 | -40.4 | 0 | 0 | 0 | 110.2 | F253 G254 N255 | D251-F253 PolarHBondContact O-N 2.79Å; D251-F253 VanDerWaalsContact O-N 3.08Å; D251-G254 PolarHBondContact O-N 2.78Å; D251-N255 PolarHBondContact O-N 3.44Å | ||
| 252 | L | 41.4 | Very low | 38.7 | Very low | 27 Ų | 27 | 76.8 Ų | 76.8 | 14% | 0.141 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -31.7 | -170.3 | -166.9 | 70.8 | 0 | 0 | 0 | 111.1 | F250 W256 Q340 | F250-L252 HydrophobicContact CD1-CB 4.15Å; F250-L252 HydrophobicContact CE1-CB 4.3Å; F250-L252 HydrophobicContact CE1-CD1 4Å; F250-L252 HydrophobicContact CE1-CD2 4.23Å; F250-L252 HydrophobicContact CE1-CG 4.41Å; F250-L252 PolarHBondContact O-N 2.93Å; L252-W256 HydrophobicContact CD1-CZ2 4.43Å; L252-W256 HydrophobicContact CD2-CZ2 4.32Å; L252-W256 HydrophobicContact CG-CZ2 4.23Å; L252-W256 PolarHBondContact O-NE1 3.01Å; L252-Q340 HydrophobicContact CD2-CG 4.04Å |
| 253 | F | 38.7 | Very low | 38.3 | Very low | 84 Ų | 84 | 83.1 Ų | 83.1 | 37% | 0.368 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -31.7 | 179.9 | -80.5 | -94.9 | 0 | 0 | 0 | 114.5 | D251 A406 L409 | D251-F253 PolarHBondContact O-N 2.79Å; D251-F253 VanDerWaalsContact O-N 3.08Å; F253-A406 HydrophobicContact CD2-CB 3.89Å; F253-A406 HydrophobicContact CE1-CB 4.02Å; F253-A406 HydrophobicContact CE2-CB 3.14Å; F253-A406 HydrophobicContact CZ-CB 3.23Å; F253-L409 HydrophobicContact CZ-CD2 4.32Å |
| 254 | G | 34.8 | Very low | 38.2 | Very low | 61 Ų | 61 | 81.4 Ų | 81.4 | 63% | 0.629 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -19.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | D251 | D251-G254 PolarHBondContact O-N 2.78Š|
| 255 | N | 40.4 | Very low | 38.2 | Very low | 65 Ų | 65 | 80.2 Ų | 80.2 | 35% | 0.348 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -103.7 | -1.8 | -174.4 | -151.8 | 31.7 | 0 | 0 | 0 | 113.9 | D251 D257 T258 I259 | D251-N255 PolarHBondContact O-N 3.44Å; N255-D257 VanDerWaalsContact C-N 3.26Å; N255-D257 PolarHBondContact O-N 3.02Å; N255-T258 PolarHBondContact O-N 2.99Å; N255-T258 WeakPolarHBondContact OD1-CB 3.33Å; N255-T258 PolarHBondContact OD1-OG1 3.46Å; N255-I259 HydrophobicContact CB-CD1 4.29Å; N255-I259 WeakPolarHBondContact O-CB 3Å; N255-I259 WeakPolarHBondContact O-CD1 3.38Å; N255-I259 VanDerWaalsContact O-CG1 3.25Å; N255-I259 WeakPolarHBondContact O-CG1 3.35Å; N255-I259 PolarHBondContact O-N 3.29Å |
| 256 | W | 40.7 | Very low | 38.2 | Very low | 50 Ų | 50 | 79 Ų | 79 | 19% | 0.189 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -61.9 | -31.9 | 176.1 | -80.8 | 119.3 | 0 | 0 | 0 | 112.6 | L252 I259 A260 V413 | L252-W256 HydrophobicContact CD1-CZ2 4.43Å; L252-W256 HydrophobicContact CD2-CZ2 4.32Å; L252-W256 HydrophobicContact CG-CZ2 4.23Å; L252-W256 PolarHBondContact O-NE1 3.01Å; W256-I259 HydrophobicContact CE3-CG2 4.3Å; W256-I259 HydrophobicContact CZ3-CG2 4.38Å; W256-I259 PolarHBondContact O-N 2.94Å; W256-A260 WeakPolarHBondContact O-CA 3.47Å; W256-A260 WeakPolarHBondContact O-CB 3.35Å; W256-A260 PolarHBondContact O-N 3.11Å; W256-V413 HydrophobicContact CD2-CG2 3.99Å; W256-V413 HydrophobicContact CE3-CG2 3.79Å; W256-V413 HydrophobicContact CH2-CG1 4.11Å; W256-V413 HydrophobicContact CH2-CG2 3.99Å; W256-V413 HydrophobicContact CZ2-CG1 4.45Å; W256-V413 HydrophobicContact CZ2-CG2 4.17Å; W256-V413 HydrophobicContact CZ3-CG2 3.79Å |
| 257 | D | 36.9 | Very low | 38.4 | Very low | 139 Ų | 139 | 78.9 Ų | 78.9 | 74% | 0.743 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.1 | -39.2 | 175.7 | -67.9 | -38.9 | 0 | 0 | 0 | 111.8 | N255 I259 A260 G261 | N255-D257 VanDerWaalsContact C-N 3.26Å; N255-D257 PolarHBondContact O-N 3.02Å; D257-I259 VanDerWaalsContact C-N 3.32Å; D257-I259 PolarHBondContact O-N 3.22Å; D257-A260 PolarHBondContact O-N 3.33Å; D257-G261 PolarHBondContact O-N 2.89Å |
| 258 | T | 38.8 | Very low | 38.4 | Very low | 96 Ų | 96 | 81.9 Ų | 81.9 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.6 | -32.8 | 173.5 | -31.8 | 0 | 0 | 0 | 0 | 112.5 | N255 | N255-T258 PolarHBondContact O-N 2.99Å; N255-T258 WeakPolarHBondContact OD1-CB 3.33Å; N255-T258 PolarHBondContact OD1-OG1 3.46Å |
| 259 | I | 38.3 | Very low | 38.7 | Very low | 43 Ų | 43 | 78.3 Ų | 78.3 | 22% | 0.221 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -84 | -31.2 | 179.2 | -65.9 | 165.2 | 0 | 0 | 0 | 111.3 | N255 W256 D257 G261 G262 | N255-I259 HydrophobicContact CB-CD1 4.29Å; N255-I259 WeakPolarHBondContact O-CB 3Å; N255-I259 WeakPolarHBondContact O-CD1 3.38Å; N255-I259 VanDerWaalsContact O-CG1 3.25Å; N255-I259 WeakPolarHBondContact O-CG1 3.35Å; N255-I259 PolarHBondContact O-N 3.29Å; W256-I259 HydrophobicContact CE3-CG2 4.3Å; W256-I259 HydrophobicContact CZ3-CG2 4.38Å; W256-I259 PolarHBondContact O-N 2.94Å; D257-I259 VanDerWaalsContact C-N 3.32Å; D257-I259 PolarHBondContact O-N 3.22Å; I259-G261 VanDerWaalsContact C-N 3.32Å; I259-G262 CarbonylContact O-C 3.57Å; I259-G262 PolarHBondContact O-N 3.35Å |
| 260 | A | 38.8 | Very low | 38.8 | Very low | 58 Ų | 58 | 73.7 Ų | 73.7 | 48% | 0.479 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -71.8 | -27.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W256 D257 G262 | W256-A260 WeakPolarHBondContact O-CA 3.47Å; W256-A260 WeakPolarHBondContact O-CB 3.35Å; W256-A260 PolarHBondContact O-N 3.11Å; D257-A260 PolarHBondContact O-N 3.33Å; A260-G262 PolarHBondContact O-N 3.49Å |
| 261 | G | 32.5 | Very low | 38.5 | Very low | 74 Ų | 74 | 76.4 Ų | 76.4 | 76% | 0.763 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -2.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D257 I259 | D257-G261 PolarHBondContact O-N 2.89Å; I259-G261 VanDerWaalsContact C-N 3.32Å |
| 262 | G | 31.8 | Very low | 38.6 | Very low | 44 Ų | 44 | 72.7 Ų | 72.7 | 45% | 0.454 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -142.5 | 83.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | I259 A260 L264 | I259-G262 CarbonylContact O-C 3.57Å; I259-G262 PolarHBondContact O-N 3.35Å; A260-G262 PolarHBondContact O-N 3.49Å; G262-L264 PolarHBondContact O-N 2.97Å; G262-L264 VanDerWaalsContact O-N 3.11Å |
| 263 | E | 31.2 | Very low | 38.3 | Very low | 184 Ų | 184 | 78.3 Ų | 78.3 | 86% | 0.86 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 18 | 75.2 | 168.4 | -69.1 | -173.9 | 136.2 | 0 | 0 | 116.4 | ||
| 264 | L | 35.7 | Very low | 38 | Very low | 72 Ų | 72 | 84 Ų | 84 | 38% | 0.377 | 49% | 0.486 | S | S | . | . | trans | 33.2 | 100.7 | 158.7 | -97.1 | 68.7 | 0 | 0 | 0 | 117 | G262 S266 L267 A416 | G262-L264 PolarHBondContact O-N 2.97Å; G262-L264 VanDerWaalsContact O-N 3.11Å; L264-S266 PolarHBondContact O-N 3.11Å; L264-L267 HydrophobicContact CB-CD1 4.29Å; L264-L267 PolarHBondContact O-N 3.49Å; L264-A416 HydrophobicContact CD2-CB 3.62Å | ||
| 265 | S | 39.9 | Very low | 38 | Very low | 61 Ų | 61 | 88.9 Ų | 88.9 | 43% | 0.427 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -4.1 | 156.3 | -45.5 | 0 | 0 | 0 | 0 | 114.3 | L268 | S265-L268 WeakPolarHBondContact O-CB 3.45Å; S265-L268 PolarHBondContact O-N 3.36Å |
| 266 | S | 39.7 | Very low | 38 | Very low | 33 Ų | 33 | 89.5 Ų | 89.5 | 23% | 0.231 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -25.4 | 171 | -142.9 | 0 | 0 | 0 | 0 | 113.1 | L264 H417 | L264-S266 PolarHBondContact O-N 3.11Å; S266-H417 PolarHBondContact OG-CE1 3.33Å; S266-H417 VanDerWaalsContact OG-CE1 3.29Å; S266-H417 PolarHBondContact OG-NE2 2.84Å |
| 267 | L | 42.4 | Very low | 38.5 | Very low | 92 Ų | 92 | 91.4 Ų | 91.4 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 166 | -78 | 148.9 | 0 | 0 | 0 | 110.4 | L264 L269 D270 D271 | L264-L267 HydrophobicContact CB-CD1 4.29Å; L264-L267 PolarHBondContact O-N 3.49Å; L267-L269 PolarHBondContact O-N 2.72Å; L267-D270 PolarHBondContact O-N 3.22Å; L267-D271 WeakPolarHBondContact CD2-OD1 3.46Å; L267-D271 WeakPolarHBondContact O-CB 3.5Å; L267-D271 PolarHBondContact O-N 3.24Å |
| 268 | L | 43.4 | Very low | 39.3 | Very low | 138 Ų | 138 | 87.8 Ų | 87.8 | 72% | 0.723 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.4 | -22.2 | -175.6 | -164.8 | 70 | 0 | 0 | 0 | 114.7 | S265 | S265-L268 WeakPolarHBondContact O-CB 3.45Å; S265-L268 PolarHBondContact O-N 3.36Å |
| 269 | L | 46.8 | Very low | 40.4 | Very low | 28 Ų | 28 | 85.1 Ų | 85.1 | 15% | 0.147 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -96.3 | -16.8 | 177.8 | -92.1 | 170.4 | 0 | 0 | 0 | 114.6 | L267 D339 I342 L343 | L267-L269 PolarHBondContact O-N 2.72Å; L269-D339 HydrophobicContact CD1-CB 4.5Å; L269-I342 HydrophobicContact CD2-CG2 3.95Å; L269-L343 HydrophobicContact CD1-CD1 4.32Å; L269-L343 HydrophobicContact CD1-CD2 3.81Å; L269-L343 HydrophobicContact CD1-CG 3.92Å |
| 270 | D | 44.3 | Very low | 41.6 | Very low | 18 Ų | 18 | 86 Ų | 86 | 10% | 0.096 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -130.1 | -1 | -165.1 | -100.2 | 13.5 | 0 | 0 | 0 | 114.3 | L267 T272 Y311 K314 K420 | L267-D270 PolarHBondContact O-N 3.22Å; D270-T272 PolarHBondContact O-N 3.36Å; D270-Y311 WeakPolarHBondContact OD1-CE1 3.32Å; D270-K314 IonicContact OD1-NZ 2.65Å; D270-K314 PolarHBondContact OD1-NZ 3.47Å; D270-K314 IonicContact OD2-NZ 3.02Å; D270-K314 PolarHBondContact OD2-NZ 2.97Å; D270-K420 VanDerWaalsContact CG-NZ 3.26Å; D270-K420 IonicContact OD2-NZ 3Å; D270-K420 PolarHBondContact OD2-NZ 3.28Å |
| 271 | D | 33.7 | Very low | 42.8 | Very low | 106 Ų | 106 | 86.3 Ų | 86.3 | 57% | 0.567 | 48% | 0.482 | S | S | * | . | trans | -67.6 | 67.5 | 171.5 | -78.3 | -19.7 | 0 | 0 | 0 | 112.6 | L267 | L267-D271 WeakPolarHBondContact CD2-OD1 3.46Å; L267-D271 WeakPolarHBondContact O-CB 3.5Å; L267-D271 PolarHBondContact O-N 3.24Å | ||
| 272 | T | 39.8 | Very low | 43.8 | Very low | 53 Ų | 53 | 85.2 Ų | 85.2 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | trans | -144.8 | 30.8 | 162.9 | -27.1 | 0 | 0 | 0 | 0 | 114.1 | D270 F274 K275 Y311 | D270-T272 PolarHBondContact O-N 3.36Å; T272-F274 PolarHBondContact O-N 3.36Å; T272-F274 VanDerWaalsContact O-N 3.15Å; T272-K275 HydrophobicContact CG2-CB 3.94Å; T272-Y311 WeakPolarHBondContact CB-OH 3.46Å; T272-Y311 PolarHBondContact N-OH 3.44Å; T272-Y311 PolarHBondContact OG1-OH 3.48Å | ||
| 273 | E | 35.4 | Very low | 45.3 | Very low | 146 Ų | 146 | 86.2 Ų | 86.2 | 68% | 0.682 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 115 | 152.3 | -69.5 | -175.1 | -154.1 | 0 | 0 | 108.2 | ||
| 274 | F | 32.3 | Very low | 46.5 | Very low | 202 Ų | 202 | 83 Ų | 83 | 89% | 0.886 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 56.4 | 178.5 | -72.2 | -91.9 | 0 | 0 | 0 | 117.8 | T272 | T272-F274 PolarHBondContact O-N 3.36Å; T272-F274 VanDerWaalsContact O-N 3.15Å |
| 275 | K | 36.1 | Very low | 47.8 | Very low | 165 Ų | 165 | 84 Ų | 84 | 72% | 0.717 | 45% | 0.45 | S | S | * | . | -95.3 | 90.9 | 129.6 | -75.7 | 173.4 | -174.1 | 155.8 | 0 | 108.8 | T272 R277 | T272-K275 HydrophobicContact CG2-CB 3.94Å; K275-R277 PolarHBondContact O-N 3.27Å | |||
| 276 | S | 40.4 | Very low | 48.3 | Very low | 78 Ų | 78 | 86.9 Ų | 86.9 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | trans | -47.2 | 120.2 | 158.8 | 60.9 | 0 | 0 | 0 | 0 | 106.8 | G278 | S276-G278 PolarHBondContact O-N 2.67Š| ||
| 277 | R | 50.1 | Low | 48.7 | Very low | 89 Ų | 89 | 90.2 Ų | 90.2 | 34% | 0.336 | 50% | 0.501 | S | S | . | . | trans | -18.5 | 117.5 | -174.6 | 169.3 | -166.4 | -106.7 | -153.9 | 11 | 109.7 | K275 H279 K280 E304 | K275-R277 PolarHBondContact O-N 3.27Å; R277-H279 CarbonylContact O-C 3.51Å; R277-H279 PolarHBondContact O-N 2.8Å; R277-K280 HydrophobicContact CB-CB 3.93Å; R277-K280 HydrophobicContact CG-CB 3.83Å; R277-K280 CarbonylContact O-C 3.57Å; R277-K280 PolarHBondContact O-N 3.25Å; R277-E304 VanDerWaalsContact CB-OE1 3.31Å; R277-E304 WeakPolarHBondContact CB-OE1 3.12Å; R277-E304 VanDerWaalsContact CG-OE1 3.31Å; R277-E304 WeakPolarHBondContact CG-OE1 3.43Å; R277-E304 VanDerWaalsContact CG-OE2 3.29Å; R277-E304 WeakPolarHBondContact CG-OE2 3.36Å; R277-E304 IonicContact NE-OE1 3.97Å | ||
| 278 | G | 54.2 | Low | 49.3 | Very low | 64 Ų | 64 | 90 Ų | 90 | 66% | 0.66 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -14.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S276 | S276-G278 PolarHBondContact O-N 2.67Š|
| 279 | H | 62.4 | Low | 49.6 | Very low | 40 Ų | 40 | 89.4 Ų | 89.4 | 19% | 0.185 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 33.8 | 175.7 | -35.6 | -90.2 | 0 | 0 | 0 | 112.7 | R277 I293 D294 A296 | R277-H279 CarbonylContact O-C 3.51Å; R277-H279 PolarHBondContact O-N 2.8Å; H279-I293 CarbonylContact O-C 3.53Å; H279-I293 WeakPolarHBondContact O-CA 3.46Å; H279-I293 WeakPolarHBondContact O-CG2 3.42Å; H279-D294 HydrophobicContact CB-CB 4.06Å; H279-D294 PolarHBondContact O-N 2.87Å; H279-A296 HydrophobicContact CB-CB 3.71Å; H279-A296 WeakPolarHBondContact ND1-CB 3.3Å |
| 280 | K | 61.6 | Low | 50.2 | Low | 60 Ų | 60 | 88.6 Ų | 88.6 | 26% | 0.261 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 98.5 | 165.9 | -175.3 | -156.9 | 97.7 | 153.9 | 0 | 111.6 | R277 T282 S291 I292 I293 | R277-K280 HydrophobicContact CB-CB 3.93Å; R277-K280 HydrophobicContact CG-CB 3.83Å; R277-K280 CarbonylContact O-C 3.57Å; R277-K280 PolarHBondContact O-N 3.25Å; K280-T282 WeakPolarHBondContact CE-OG1 3.24Å; K280-T282 PolarHBondContact NZ-OG1 3.29Å; K280-T282 PolarHBondContact O-N 2.8Å; K280-S291 VanDerWaalsContact CD-CB 3.47Å; K280-I292 WeakPolarHBondContact CA-O 3.43Å; K280-I293 HydrophobicContact CB-CG1 4.02Å; K280-I293 HydrophobicContact CD-CG1 4.27Å; K280-I293 HydrophobicContact CG-CG1 3.72Å |
| 281 | T | 65.7 | Low | 51 | Low | 66 Ų | 66 | 89.3 Ų | 89.3 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 120.8 | 163.3 | -44.2 | 0 | 0 | 0 | 0 | 109.3 | L283 S291 I292 | T281-L283 HydrophobicContact CG2-CD2 3.66Å; T281-S291 CarbonylContact O-C 3.51Å; T281-S291 WeakPolarHBondContact O-CA 3.31Å; T281-I292 PolarHBondContact N-O 2.77Å; T281-I292 WeakPolarHBondContact O-CB 3.45Å; T281-I292 PolarHBondContact O-N 2.89Å |
| 282 | T | 53.2 | Low | 52.6 | Low | 51 Ų | 51 | 86.4 Ų | 86.4 | 31% | 0.313 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131 | 164.7 | -52.9 | 0 | 0 | 0 | 0 | 107.1 | K280 M289 T290 | K280-T282 WeakPolarHBondContact CE-OG1 3.24Å; K280-T282 PolarHBondContact NZ-OG1 3.29Å; K280-T282 PolarHBondContact O-N 2.8Å; T282-M289 HydrophobicContact CG2-CG 3.51Å; T282-M289 HydrophobicContact CG2-SD 3.58Å; T282-M289 VanDerWaalsContact CG2-SD 3.58Å; T282-T290 WeakPolarHBondContact CA-O 3.29Å; T282-T290 WeakPolarHBondContact CG2-O 3.31Å |
| 283 | L | 62.1 | Low | 54.2 | Low | 65 Ų | 65 | 87.4 Ų | 87.4 | 34% | 0.34 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137 | 163.2 | -30.7 | 170.9 | 0 | 0 | 0 | 108.3 | T281 F285 T290 I292 | T281-L283 HydrophobicContact CG2-CD2 3.66Å; L283-F285 HydrophobicContact CB-CE2 3.97Å; L283-F285 HydrophobicContact CB-CZ 4.36Å; L283-F285 HydrophobicContact CD1-CE2 4.16Å; L283-F285 HydrophobicContact CD1-CZ 3.98Å; L283-T290 HydrophobicContact CB-CG2 3.3Å; L283-T290 HydrophobicContact CD1-CG2 3.82Å; L283-T290 HydrophobicContact CG-CG2 3.47Å; L283-T290 VanDerWaalsContact CG-CG2 3.47Å; L283-T290 PolarHBondContact N-O 3.32Å; L283-T290 VanDerWaalsContact N-O 3.16Å; L283-T290 VanDerWaalsContact O-CG2 3.31Å; L283-T290 WeakPolarHBondContact O-CG2 3.37Å; L283-T290 PolarHBondContact O-N 2.88Å; L283-I292 HydrophobicContact CD1-CD1 3.55Å; L283-I292 HydrophobicContact CG-CD1 3.95Å |
| 284 | T | 58.2 | Low | 55.8 | Low | 115 Ų | 115 | 83.6 Ų | 83.6 | 71% | 0.706 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 114.8 | 177.8 | 42.3 | 0 | 0 | 0 | 0 | 108.1 | M289 | T284-M289 HydrophobicContact CG2-CG 4.19Å; T284-M289 HydrophobicContact CG2-SD 4.42Å |
| 285 | F | 61.2 | Low | 57.7 | Low | 94 Ų | 94 | 83.4 Ų | 83.4 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 155.9 | 170.2 | -59.3 | -90.8 | 0 | 0 | 0 | 108.6 | L283 S287 Y288 T290 | L283-F285 HydrophobicContact CB-CE2 3.97Å; L283-F285 HydrophobicContact CB-CZ 4.36Å; L283-F285 HydrophobicContact CD1-CE2 4.16Å; L283-F285 HydrophobicContact CD1-CZ 3.98Å; F285-S287 PolarHBondContact O-N 2.77Å; F285-Y288 WeakPolarHBondContact CA-O 3.15Å; F285-Y288 HydrophobicContact CB-CD1 4.47Å; F285-Y288 HydrophobicContact CB-CD2 4.11Å; F285-Y288 HydrophobicContact CB-CE1 4.32Å; F285-Y288 HydrophobicContact CB-CE2 3.98Å; F285-Y288 HydrophobicContact CB-CG 4.37Å; F285-Y288 WeakPolarHBondContact CB-O 3.33Å; F285-Y288 AromaticContact CD2-CD2 3.61Å; F285-Y288 HydrophobicContact CD2-CD2 3.61Å; F285-Y288 AromaticContact CD2-CE2 3.07Å; F285-Y288 HydrophobicContact CD2-CE2 3.07Å; F285-Y288 AromaticContact CD2-CZ 3.72Å; F285-Y288 HydrophobicContact CE2-CD2 4.4Å; F285-Y288 AromaticContact CE2-CE2 3.56Å; F285-Y288 HydrophobicContact CE2-CE2 3.56Å; F285-Y288 HydrophobicContact CG-CD2 4.19Å; F285-Y288 AromaticContact CG-CE2 3.66Å; F285-Y288 HydrophobicContact CG-CE2 3.66Å; F285-Y288 AromaticContact CG-CZ 3.84Å; F285-Y288 HydrophobicContact CZ-CE2 4.5Å; F285-Y288 PolarHBondContact N-O 2.67Å; F285-Y288 PolarHBondContact O-N 2.75Å; F285-Y288 VanDerWaalsContact O-N 3.1Å; F285-Y288 VanDerWaalsContact O-O 3.08Å; F285-T290 HydrophobicContact CD2-CG2 4.36Å; F285-T290 HydrophobicContact CE2-CG2 3.7Å |
| 286 | A | 51.5 | Low | 59.3 | Low | 121 Ų | 121 | 76.3 Ų | 76.3 | 100% | 1 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -25.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 287 | S | 48.5 | Very low | 60.9 | Low | 104 Ų | 104 | 76.8 Ų | 76.8 | 73% | 0.727 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | -2.9 | 179.2 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | F285 | F285-S287 PolarHBondContact O-N 2.77Š|
| 288 | Y | 54.4 | Low | 62.1 | Low | 88 Ų | 88 | 76.4 Ų | 76.4 | 35% | 0.345 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 154.2 | 179.2 | 61.9 | -101.7 | 0 | 0 | 0 | 114.5 | L4 A6 F285 | L4-Y288 HydrophobicContact CD1-CD2 4.23Å; L4-Y288 HydrophobicContact CD1-CE2 3.65Å; L4-Y288 HydrophobicContact CD2-CD2 3.24Å; L4-Y288 HydrophobicContact CD2-CE2 3.59Å; L4-Y288 HydrophobicContact CD2-CG 4.18Å; L4-Y288 HydrophobicContact CG-CD2 4.34Å; L4-Y288 HydrophobicContact CG-CE2 4.25Å; A6-Y288 HydrophobicContact CB-CG 4.4Å; F285-Y288 WeakPolarHBondContact CA-O 3.15Å; F285-Y288 HydrophobicContact CB-CD1 4.47Å; F285-Y288 HydrophobicContact CB-CD2 4.11Å; F285-Y288 HydrophobicContact CB-CE1 4.32Å; F285-Y288 HydrophobicContact CB-CE2 3.98Å; F285-Y288 HydrophobicContact CB-CG 4.37Å; F285-Y288 WeakPolarHBondContact CB-O 3.33Å; F285-Y288 AromaticContact CD2-CD2 3.61Å; F285-Y288 HydrophobicContact CD2-CD2 3.61Å; F285-Y288 AromaticContact CD2-CE2 3.07Å; F285-Y288 HydrophobicContact CD2-CE2 3.07Å; F285-Y288 AromaticContact CD2-CZ 3.72Å; F285-Y288 HydrophobicContact CE2-CD2 4.4Å; F285-Y288 AromaticContact CE2-CE2 3.56Å; F285-Y288 HydrophobicContact CE2-CE2 3.56Å; F285-Y288 HydrophobicContact CG-CD2 4.19Å; F285-Y288 AromaticContact CG-CE2 3.66Å; F285-Y288 HydrophobicContact CG-CE2 3.66Å; F285-Y288 AromaticContact CG-CZ 3.84Å; F285-Y288 HydrophobicContact CZ-CE2 4.5Å; F285-Y288 PolarHBondContact N-O 2.67Å; F285-Y288 PolarHBondContact O-N 2.75Å; F285-Y288 VanDerWaalsContact O-N 3.1Å; F285-Y288 VanDerWaalsContact O-O 3.08Å |
| 289 | M | 49.5 | Very low | 62.8 | Low | 125 Ų | 125 | 76.9 Ų | 76.9 | 62% | 0.616 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.2 | 175.1 | -175.3 | 174.7 | 57.8 | 0 | 0 | 111.7 | L4 T282 T284 | L4-M289 WeakPolarHBondContact CD2-O 3.42Å; T282-M289 HydrophobicContact CG2-CG 3.51Å; T282-M289 HydrophobicContact CG2-SD 3.58Å; T282-M289 VanDerWaalsContact CG2-SD 3.58Å; T284-M289 HydrophobicContact CG2-CG 4.19Å; T284-M289 HydrophobicContact CG2-SD 4.42Å |
| 290 | T | 59 | Low | 63.1 | Low | 10 Ų | 10 | 76.9 Ų | 76.9 | 6% | 0.061 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 161 | 170.8 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | L4 T282 L283 F285 I292 | L4-T290 VanDerWaalsContact CD2-CA 3.42Å; L4-T290 VanDerWaalsContact CD2-CB 3.49Å; L4-T290 WeakPolarHBondContact CG-OG1 3.33Å; T282-T290 WeakPolarHBondContact CA-O 3.29Å; T282-T290 WeakPolarHBondContact CG2-O 3.31Å; L283-T290 HydrophobicContact CB-CG2 3.3Å; L283-T290 HydrophobicContact CD1-CG2 3.82Å; L283-T290 HydrophobicContact CG-CG2 3.47Å; L283-T290 VanDerWaalsContact CG-CG2 3.47Å; L283-T290 PolarHBondContact N-O 3.32Å; L283-T290 VanDerWaalsContact N-O 3.16Å; L283-T290 VanDerWaalsContact O-CG2 3.31Å; L283-T290 WeakPolarHBondContact O-CG2 3.37Å; L283-T290 PolarHBondContact O-N 2.88Å; F285-T290 HydrophobicContact CD2-CG2 4.36Å; F285-T290 HydrophobicContact CE2-CG2 3.7Å; T290-I292 HydrophobicContact CG2-CG1 4.49Å |
| 291 | S | 62.3 | Low | 63.4 | Low | 33 Ų | 33 | 76.9 Ų | 76.9 | 23% | 0.231 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 131.4 | 156.4 | 79.2 | 0 | 0 | 0 | 0 | 113.3 | K280 T281 | K280-S291 VanDerWaalsContact CD-CB 3.47Å; T281-S291 CarbonylContact O-C 3.51Å; T281-S291 WeakPolarHBondContact O-CA 3.31Å |
| 292 | I | 66.2 | Low | 63.6 | Low | 45 Ų | 45 | 80.5 Ų | 80.5 | 23% | 0.231 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 75.1 | -168.3 | -82.1 | -177.2 | 0 | 0 | 0 | 107 | R2 K280 T281 L283 T290 D294 | R2-I292 PolarHBondContact NH2-O 3.38Å; K280-I292 WeakPolarHBondContact CA-O 3.43Å; T281-I292 PolarHBondContact N-O 2.77Å; T281-I292 WeakPolarHBondContact O-CB 3.45Å; T281-I292 PolarHBondContact O-N 2.89Å; L283-I292 HydrophobicContact CD1-CD1 3.55Å; L283-I292 HydrophobicContact CG-CD1 3.95Å; T290-I292 HydrophobicContact CG2-CG1 4.49Å; I292-D294 PolarHBondContact O-N 3.28Å |
| 293 | I | 73.5 | Confident | 64.4 | Low | 74 Ų | 74 | 83.1 Ų | 83.1 | 38% | 0.379 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 111.3 | 178.1 | -59.4 | 170.6 | 0 | 0 | 0 | 110.6 | R2 H279 K280 | R2-I293 VanDerWaalsContact NE-C 3.31Å; R2-I293 PolarHBondContact NE-O 2.58Å; R2-I293 VanDerWaalsContact NH2-C 3.26Å; R2-I293 PolarHBondContact NH2-O 3.45Å; H279-I293 CarbonylContact O-C 3.53Å; H279-I293 WeakPolarHBondContact O-CA 3.46Å; H279-I293 WeakPolarHBondContact O-CG2 3.42Å; K280-I293 HydrophobicContact CB-CG1 4.02Å; K280-I293 HydrophobicContact CD-CG1 4.27Å; K280-I293 HydrophobicContact CG-CG1 3.72Å |
| 294 | D | 70.3 | Confident | 64.3 | Low | 67 Ų | 67 | 81.4 Ų | 81.4 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | trans | -72.8 | 161.8 | 172.1 | -66.2 | -74.2 | 0 | 0 | 0 | 111.1 | R2 H279 I292 | R2-D294 IonicContact CZ-OD1 3.22Å; R2-D294 IonicContact NH1-OD1 2.88Å; R2-D294 VanDerWaalsContact NH2-CA 3.27Å; R2-D294 VanDerWaalsContact NH2-N 3.11Å; R2-D294 IonicContact NH2-OD1 3.18Å; R2-D294 PolarHBondContact NH2-OD1 3.36Å; R2-D294 IonicContact NH2-OD2 2.67Å; R2-D294 PolarHBondContact NH2-OD2 3.31Å; H279-D294 HydrophobicContact CB-CB 4.06Å; H279-D294 PolarHBondContact O-N 2.87Å; I292-D294 PolarHBondContact O-N 3.28Å | ||
| 295 | Y | 71.8 | Confident | 64.6 | Low | 198 Ų | 198 | 79.5 Ų | 79.5 | 78% | 0.776 | 42% | 0.424 | S | S | * | . | trans | -66 | 140.5 | 164.1 | -170.5 | -93.1 | 0 | 0 | 0 | 109.2 | ||||
| 296 | A | 69.3 | Low | 64.9 | Low | 16 Ų | 16 | 79 Ų | 79 | 13% | 0.132 | 43% | 0.426 | C | S | . | . | trans | -138.4 | 137.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | H279 V301 | H279-A296 HydrophobicContact CB-CB 3.71Å; H279-A296 WeakPolarHBondContact ND1-CB 3.3Å; A296-V301 HydrophobicContact CB-CG2 3.38Å | ||
| 297 | D | 74.3 | Confident | 65.3 | Low | 88 Ų | 88 | 76 Ų | 76 | 47% | 0.471 | 39% | 0.391 | S | S | . | . | trans | -62.1 | 137.9 | 172.2 | -75.2 | -27.3 | 0 | 0 | 0 | 109 | S299 D300 V301 | D297-S299 WeakPolarHBondContact CB-OG 3.46Å; D297-S299 PolarHBondContact O-N 3.27Å; D297-D300 PolarHBondContact O-N 2.94Å; D297-V301 PolarHBondContact O-N 3.2Å; D297-V301 VanDerWaalsContact O-N 3.16Å | ||
| 298 | P | 74.3 | Confident | 65.9 | Low | 80 Ų | 80 | 75.3 Ų | 75.3 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.4 | -16.5 | -175.8 | 24.6 | -34.1 | 0 | 0 | 0 | 112.8 | K302 | P298-K302 WeakPolarHBondContact O-CB 3.24Å; P298-K302 VanDerWaalsContact O-CD 3.31Å; P298-K302 WeakPolarHBondContact O-CD 3.37Å; P298-K302 WeakPolarHBondContact O-CG 3.15Å; P298-K302 PolarHBondContact O-N 3.2Å |
| 299 | S | 70.3 | Confident | 66.1 | Low | 75 Ų | 75 | 74.4 Ų | 74.4 | 52% | 0.524 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -47.5 | 166.5 | 37.2 | 0 | 0 | 0 | 0 | 112.7 | D297 K302 R303 | D297-S299 WeakPolarHBondContact CB-OG 3.46Å; D297-S299 PolarHBondContact O-N 3.27Å; S299-K302 PolarHBondContact O-N 3.01Å; S299-R303 PolarHBondContact O-N 3.23Å |
| 300 | D | 68.7 | Low | 66.5 | Low | 39 Ų | 39 | 71.7 Ų | 71.7 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68 | -42.9 | -179.5 | -70.7 | -31.3 | 0 | 0 | 0 | 111.2 | D297 K302 R303 E304 | D297-D300 PolarHBondContact O-N 2.94Å; D300-K302 VanDerWaalsContact C-N 3.29Å; D300-K302 PolarHBondContact O-N 2.66Å; D300-R303 PolarHBondContact O-N 3.31Å; D300-R303 VanDerWaalsContact O-N 3.14Å; D300-R303 IonicContact OD1-CZ 2.74Å; D300-R303 IonicContact OD1-NH1 3.19Å; D300-R303 PolarHBondContact OD1-NH1 2.9Å; D300-R303 IonicContact OD1-NH2 2.76Å; D300-R303 PolarHBondContact OD1-NH2 2.69Å; D300-E304 PolarHBondContact O-N 2.6Å |
| 301 | V | 66.7 | Low | 66.6 | Low | 60 Ų | 60 | 74.2 Ų | 74.2 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 174.6 | -176 | 0 | 0 | 0 | 0 | 111.3 | A296 D297 N305 | A296-V301 HydrophobicContact CB-CG2 3.38Å; D297-V301 PolarHBondContact O-N 3.2Å; D297-V301 VanDerWaalsContact O-N 3.16Å; V301-N305 WeakPolarHBondContact O-CB 3.31Å; V301-N305 PolarHBondContact O-N 3.41Å |
| 302 | K | 70.6 | Confident | 67.1 | Low | 142 Ų | 142 | 76.5 Ų | 76.5 | 62% | 0.617 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.6 | -40.3 | 175.2 | -78.2 | 170.9 | -174.6 | 177.1 | 0 | 111.8 | P298 S299 D300 N306 | P298-K302 WeakPolarHBondContact O-CB 3.24Å; P298-K302 VanDerWaalsContact O-CD 3.31Å; P298-K302 WeakPolarHBondContact O-CD 3.37Å; P298-K302 WeakPolarHBondContact O-CG 3.15Å; P298-K302 PolarHBondContact O-N 3.2Å; S299-K302 PolarHBondContact O-N 3.01Å; D300-K302 VanDerWaalsContact C-N 3.29Å; D300-K302 PolarHBondContact O-N 2.66Å; K302-N306 WeakPolarHBondContact O-CB 3.5Å; K302-N306 PolarHBondContact O-N 3.4Å; K302-N306 PolarHBondContact O-ND2 2.8Å |
| 303 | R | 68.8 | Low | 68 | Low | 106 Ų | 106 | 74.6 Ų | 74.6 | 40% | 0.4 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -53.7 | 176.1 | -173.6 | -179.7 | 63.6 | -110.9 | -12.1 | 111 | S299 D300 N305 N306 E307 | S299-R303 PolarHBondContact O-N 3.23Å; D300-R303 PolarHBondContact O-N 3.31Å; D300-R303 VanDerWaalsContact O-N 3.14Å; D300-R303 IonicContact OD1-CZ 2.74Å; D300-R303 IonicContact OD1-NH1 3.19Å; D300-R303 PolarHBondContact OD1-NH1 2.9Å; D300-R303 IonicContact OD1-NH2 2.76Å; D300-R303 PolarHBondContact OD1-NH2 2.69Å; R303-N305 VanDerWaalsContact C-N 3.29Å; R303-N305 PolarHBondContact O-N 2.87Å; R303-N306 WeakPolarHBondContact O-CB 3.03Å; R303-N306 PolarHBondContact O-N 3.45Å; R303-E307 VanDerWaalsContact CG-OE1 3.3Å; R303-E307 WeakPolarHBondContact CG-OE1 3.34Å; R303-E307 IonicContact NE-OE1 3.7Å; R303-E307 WeakPolarHBondContact O-CG 2.9Å; R303-E307 PolarHBondContact O-N 3.41Å |
| 304 | E | 61.3 | Low | 68.6 | Low | 30 Ų | 30 | 72.3 Ų | 72.3 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.1 | -39 | 178.8 | -170.1 | -163.9 | 131 | 0 | 0 | 112.1 | R277 D300 E307 K308 | R277-E304 VanDerWaalsContact CB-OE1 3.31Å; R277-E304 WeakPolarHBondContact CB-OE1 3.12Å; R277-E304 VanDerWaalsContact CG-OE1 3.31Å; R277-E304 WeakPolarHBondContact CG-OE1 3.43Å; R277-E304 VanDerWaalsContact CG-OE2 3.29Å; R277-E304 WeakPolarHBondContact CG-OE2 3.36Å; R277-E304 IonicContact NE-OE1 3.97Å; D300-E304 PolarHBondContact O-N 2.6Å; E304-E307 WeakPolarHBondContact CA-OE2 3.35Å; E304-E307 PolarHBondContact O-N 3.04Å; E304-K308 WeakPolarHBondContact O-CG 3.27Å; E304-K308 PolarHBondContact O-N 2.63Å; E304-K308 WeakPolarHBondContact OE1-CE 3.46Å; E304-K308 IonicContact OE1-NZ 3.7Å; E304-K308 PolarHBondContact OE1-NZ 3.33Å |
| 305 | N | 64.6 | Low | 69.4 | Low | 74 Ų | 74 | 78.4 Ų | 78.4 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.9 | -36.2 | 177.3 | -162.1 | 46.4 | 0 | 0 | 0 | 112 | V301 R303 K308 F309 | V301-N305 WeakPolarHBondContact O-CB 3.31Å; V301-N305 PolarHBondContact O-N 3.41Å; R303-N305 VanDerWaalsContact C-N 3.29Å; R303-N305 PolarHBondContact O-N 2.87Å; N305-K308 PolarHBondContact O-N 2.97Å; N305-F309 WeakPolarHBondContact ND2-CE2 3.33Å; N305-F309 WeakPolarHBondContact O-CD2 3.29Å; N305-F309 PolarHBondContact O-N 3.17Å |
| 306 | N | 66.1 | Low | 70.2 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 45% | 0.449 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.4 | -38.4 | 174.2 | -74 | -11.6 | 0 | 0 | 0 | 112.4 | K302 R303 F309 K310 | K302-N306 WeakPolarHBondContact O-CB 3.5Å; K302-N306 PolarHBondContact O-N 3.4Å; K302-N306 PolarHBondContact O-ND2 2.8Å; R303-N306 WeakPolarHBondContact O-CB 3.03Å; R303-N306 PolarHBondContact O-N 3.45Å; N306-F309 PolarHBondContact O-N 3.42Å; N306-K310 PolarHBondContact O-N 3.02Å |
| 307 | E | 61.3 | Low | 71.3 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 27% | 0.271 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.7 | -50.6 | 171.8 | -72.1 | 160.1 | -178.4 | 0 | 0 | 110.3 | R303 E304 F309 K310 Y311 | R303-E307 VanDerWaalsContact CG-OE1 3.3Å; R303-E307 WeakPolarHBondContact CG-OE1 3.34Å; R303-E307 IonicContact NE-OE1 3.7Å; R303-E307 WeakPolarHBondContact O-CG 2.9Å; R303-E307 PolarHBondContact O-N 3.41Å; E304-E307 WeakPolarHBondContact CA-OE2 3.35Å; E304-E307 PolarHBondContact O-N 3.04Å; E307-F309 PolarHBondContact O-N 3.41Å; E307-K310 WeakPolarHBondContact O-CB 3.45Å; E307-K310 PolarHBondContact O-N 2.83Å; E307-Y311 HydrophobicContact CB-CE2 4.35Å; E307-Y311 WeakPolarHBondContact O-CD2 3.34Å; E307-Y311 PolarHBondContact O-N 3.36Å |
| 308 | K | 60 | Low | 72.1 | Confident | 90 Ų | 90 | 69.2 Ų | 69.2 | 39% | 0.391 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.8 | -36.3 | 174.3 | -75.3 | 170.9 | 178.7 | 175.9 | 0 | 113.7 | E304 N305 K310 Y311 N312 | E304-K308 WeakPolarHBondContact O-CG 3.27Å; E304-K308 PolarHBondContact O-N 2.63Å; E304-K308 WeakPolarHBondContact OE1-CE 3.46Å; E304-K308 IonicContact OE1-NZ 3.7Å; E304-K308 PolarHBondContact OE1-NZ 3.33Å; N305-K308 PolarHBondContact O-N 2.97Å; K308-K310 VanDerWaalsContact C-N 3.32Å; K308-K310 PolarHBondContact O-N 3.39Å; K308-Y311 PolarHBondContact O-N 2.97Å; K308-N312 WeakPolarHBondContact O-CB 3.01Å; K308-N312 PolarHBondContact O-N 3.25Å; K308-N312 PolarHBondContact O-ND2 3.34Å; K308-N312 PolarHBondContact O-OD1 3.45Å |
| 309 | F | 59 | Low | 72.9 | Confident | 68 Ų | 68 | 67.1 Ų | 67.1 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.3 | -27.4 | 174.5 | -76.8 | -56.1 | 0 | 0 | 0 | 114.1 | N305 N306 E307 I313 R352 | N305-F309 WeakPolarHBondContact ND2-CE2 3.33Å; N305-F309 WeakPolarHBondContact O-CD2 3.29Å; N305-F309 PolarHBondContact O-N 3.17Å; N306-F309 PolarHBondContact O-N 3.42Å; E307-F309 PolarHBondContact O-N 3.41Å; F309-I313 WeakPolarHBondContact O-CD1 3.27Å; F309-I313 WeakPolarHBondContact O-CG1 3.47Å; F309-I313 PolarHBondContact O-N 3.21Å; F309-R352 VanDerWaalsContact CB-NH1 3.27Å; F309-R352 VanDerWaalsContact CG-NH1 3.3Å |
| 310 | K | 58.6 | Low | 74 | Confident | 68 Ų | 68 | 63.5 Ų | 63.5 | 30% | 0.296 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.4 | -51.1 | 172.8 | -65.4 | 178.9 | 173.1 | -172.7 | 0 | 110.6 | N306 E307 K308 N312 I313 K314 I342 | N306-K310 PolarHBondContact O-N 3.02Å; E307-K310 WeakPolarHBondContact O-CB 3.45Å; E307-K310 PolarHBondContact O-N 2.83Å; K308-K310 VanDerWaalsContact C-N 3.32Å; K308-K310 PolarHBondContact O-N 3.39Å; K310-N312 VanDerWaalsContact C-N 3.31Å; K310-N312 PolarHBondContact O-N 3.04Å; K310-I313 PolarHBondContact O-N 3.4Å; K310-K314 PolarHBondContact O-N 2.75Å; K310-K314 VanDerWaalsContact O-N 3.16Å; K310-I342 HydrophobicContact CD-CD1 4.34Å |
| 311 | Y | 59.7 | Low | 75.1 | Confident | 63 Ų | 63 | 61.7 Ų | 61.7 | 25% | 0.247 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.9 | -41.7 | 178.1 | -64.3 | -62.7 | 0 | 0 | 0 | 112.3 | D270 T272 E307 K308 I313 K314 R315 | D270-Y311 WeakPolarHBondContact OD1-CE1 3.32Å; T272-Y311 WeakPolarHBondContact CB-OH 3.46Å; T272-Y311 PolarHBondContact N-OH 3.44Å; T272-Y311 PolarHBondContact OG1-OH 3.48Å; E307-Y311 HydrophobicContact CB-CE2 4.35Å; E307-Y311 WeakPolarHBondContact O-CD2 3.34Å; E307-Y311 PolarHBondContact O-N 3.36Å; K308-Y311 PolarHBondContact O-N 2.97Å; Y311-I313 VanDerWaalsContact C-N 3.29Å; Y311-I313 PolarHBondContact O-N 3.34Å; Y311-K314 PolarHBondContact O-N 3.05Å; Y311-R315 PolarHBondContact O-N 3.38Å |
| 312 | N | 72.9 | Confident | 76.3 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 43% | 0.433 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -36.5 | 175.7 | -71.8 | -10 | 0 | 0 | 0 | 112.7 | K308 K310 R315 E316 | K308-N312 WeakPolarHBondContact O-CB 3.01Å; K308-N312 PolarHBondContact O-N 3.25Å; K308-N312 PolarHBondContact O-ND2 3.34Å; K308-N312 PolarHBondContact O-OD1 3.45Å; K310-N312 VanDerWaalsContact C-N 3.31Å; K310-N312 PolarHBondContact O-N 3.04Å; N312-R315 PolarHBondContact O-N 3.16Å; N312-E316 WeakPolarHBondContact O-CG 3.49Å; N312-E316 PolarHBondContact O-N 2.98Å |
| 313 | I | 85.4 | Confident | 77.3 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.7 | -42.8 | 179.6 | -69.1 | 168.7 | 0 | 0 | 0 | 111.4 | F309 K310 Y311 R315 E316 M317 F338 R352 A356 | F309-I313 WeakPolarHBondContact O-CD1 3.27Å; F309-I313 WeakPolarHBondContact O-CG1 3.47Å; F309-I313 PolarHBondContact O-N 3.21Å; K310-I313 PolarHBondContact O-N 3.4Å; Y311-I313 VanDerWaalsContact C-N 3.29Å; Y311-I313 PolarHBondContact O-N 3.34Å; I313-R315 PolarHBondContact O-N 3.39Å; I313-E316 PolarHBondContact O-N 2.82Å; I313-E316 VanDerWaalsContact O-N 3.17Å; I313-M317 HydrophobicContact CG2-CG 4.44Å; I313-M317 HydrophobicContact CG2-SD 4.34Å; I313-M317 WeakPolarHBondContact O-CG 3.46Å; I313-M317 PolarHBondContact O-N 2.76Å; I313-F338 HydrophobicContact CB-CZ 4.38Å; I313-F338 HydrophobicContact CG2-CE1 4.05Å; I313-F338 HydrophobicContact CG2-CE2 4.23Å; I313-F338 HydrophobicContact CG2-CZ 3.67Å; I313-R352 HydrophobicContact CD1-CB 3.78Å; I313-R352 HydrophobicContact CD1-CG 3.57Å; I313-A356 HydrophobicContact CG2-CB 3.52Å |
| 314 | K | 87.1 | Confident | 78.3 | Confident | 26 Ų | 26 | 55.6 Ų | 55.6 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.7 | -41 | 172.4 | -72.7 | -176.1 | 171.6 | -176.2 | 0 | 111.3 | D270 K310 Y311 M317 R318 V335 D339 | D270-K314 IonicContact OD1-NZ 2.65Å; D270-K314 PolarHBondContact OD1-NZ 3.47Å; D270-K314 IonicContact OD2-NZ 3.02Å; D270-K314 PolarHBondContact OD2-NZ 2.97Å; K310-K314 PolarHBondContact O-N 2.75Å; K310-K314 VanDerWaalsContact O-N 3.16Å; Y311-K314 PolarHBondContact O-N 3.05Å; K314-M317 WeakPolarHBondContact O-CB 3.47Å; K314-M317 PolarHBondContact O-N 3.19Å; K314-R318 PolarHBondContact O-N 2.74Å; K314-V335 HydrophobicContact CD-CG1 4.33Å; K314-D339 VanDerWaalsContact CE-CG 3.49Å; K314-D339 WeakPolarHBondContact CE-OD1 3.36Å; K314-D339 VanDerWaalsContact CE-OD2 3.27Å; K314-D339 WeakPolarHBondContact CE-OD2 3.25Å; K314-D339 IonicContact NZ-OD1 2.82Å; K314-D339 PolarHBondContact NZ-OD1 2.88Å; K314-D339 IonicContact NZ-OD2 2.66Å; K314-D339 PolarHBondContact NZ-OD2 2.92Å |
| 315 | R | 86.1 | Confident | 79.6 | Confident | 194 Ų | 194 | 61 Ų | 61 | 73% | 0.732 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -68 | -39.4 | 175.1 | -168.7 | 177.4 | -179 | 177.9 | 3.3 | 113.5 | Y311 N312 I313 R318 A319 | Y311-R315 PolarHBondContact O-N 3.38Å; N312-R315 PolarHBondContact O-N 3.16Å; I313-R315 PolarHBondContact O-N 3.39Å; R315-R318 PolarHBondContact O-N 3.03Å; R315-A319 PolarHBondContact O-N 3.47Å |
| 316 | E | 89 | Confident | 80.9 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 29% | 0.29 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 172.1 | -78.4 | 174 | -137.3 | 0 | 0 | 111 | N312 I313 R318 A319 I320 K353 F385 | N312-E316 WeakPolarHBondContact O-CG 3.49Å; N312-E316 PolarHBondContact O-N 2.98Å; I313-E316 PolarHBondContact O-N 2.82Å; I313-E316 VanDerWaalsContact O-N 3.17Å; E316-R318 VanDerWaalsContact C-N 3.32Å; E316-R318 PolarHBondContact O-N 3.13Å; E316-A319 PolarHBondContact O-N 2.75Å; E316-I320 WeakPolarHBondContact O-CD1 3.35Å; E316-I320 VanDerWaalsContact O-CG1 3.3Å; E316-I320 WeakPolarHBondContact O-CG1 3.48Å; E316-I320 PolarHBondContact O-N 3.17Å; E316-K353 IonicContact OE2-NZ 2.6Å; E316-K353 PolarHBondContact OE2-NZ 3.41Å; E316-F385 HydrophobicContact CB-CD1 4.37Å; E316-F385 HydrophobicContact CB-CE1 3.62Å; E316-F385 HydrophobicContact CB-CZ 4.43Å; E316-F385 WeakPolarHBondContact OE2-CD1 3.4Å |
| 317 | M | 93 | Very high | 82.1 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 174.8 | -71 | 172.1 | 71.8 | 0 | 0 | 112.1 | I313 K314 I320 A321 L331 A334 V335 F338 A356 C359 L360 F385 | I313-M317 HydrophobicContact CG2-CG 4.44Å; I313-M317 HydrophobicContact CG2-SD 4.34Å; I313-M317 WeakPolarHBondContact O-CG 3.46Å; I313-M317 PolarHBondContact O-N 2.76Å; K314-M317 WeakPolarHBondContact O-CB 3.47Å; K314-M317 PolarHBondContact O-N 3.19Å; M317-I320 PolarHBondContact O-N 3.23Å; M317-A321 PolarHBondContact O-N 3.15Å; M317-L331 HydrophobicContact CB-CD1 4.42Å; M317-A334 HydrophobicContact CE-CB 4.21Å; M317-V335 HydrophobicContact CE-CG2 4.3Å; M317-F338 HydrophobicContact CE-CB 4.18Å; M317-F338 HydrophobicContact SD-CB 4.3Å; M317-F338 HydrophobicContact SD-CD1 4.3Å; M317-F338 HydrophobicContact SD-CG 4.13Å; M317-A356 HydrophobicContact CG-CB 3.91Å; M317-A356 HydrophobicContact SD-CB 3.77Å; M317-C359 HydrophobicContact CE-CB 4.36Å; M317-L360 HydrophobicContact CB-CD1 4.24Å; M317-L360 HydrophobicContact CB-CD2 4.34Å; M317-L360 HydrophobicContact CE-CD2 4.14Å; M317-L360 HydrophobicContact CE-CG 4.04Å; M317-L360 HydrophobicContact CG-CD1 4.19Å; M317-L360 HydrophobicContact CG-CG 4.43Å; M317-F385 HydrophobicContact CG-CZ 3.85Å |
| 318 | R | 90.9 | Very high | 83.6 | Confident | 47 Ų | 47 | 59.9 Ų | 59.9 | 18% | 0.177 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 177.8 | -177.1 | 167.5 | -179.3 | -137.3 | -14.3 | 112.3 | K314 R315 E316 I320 A321 T322 L331 L421 E424 S425 | K314-R318 PolarHBondContact O-N 2.74Å; R315-R318 PolarHBondContact O-N 3.03Å; E316-R318 VanDerWaalsContact C-N 3.32Å; E316-R318 PolarHBondContact O-N 3.13Å; R318-I320 VanDerWaalsContact C-N 3.35Å; R318-I320 PolarHBondContact O-N 2.88Å; R318-A321 PolarHBondContact O-N 3.36Å; R318-T322 PolarHBondContact O-N 3.47Å; R318-T322 PolarHBondContact O-OG1 3Å; R318-L331 HydrophobicContact CB-CD2 3.94Å; R318-L331 HydrophobicContact CG-CD2 3.75Å; R318-L421 HydrophobicContact CG-CD2 4.47Å; R318-E424 VanDerWaalsContact CZ-O 3.25Å; R318-E424 IonicContact CZ-OE2 2.73Å; R318-E424 PolarHBondContact NH1-O 2.95Å; R318-E424 IonicContact NH1-OE2 3.98Å; R318-E424 PolarHBondContact NH1-OE2 3.06Å; R318-E424 PolarHBondContact NH2-O 2.96Å; R318-S425 PolarHBondContact NH2-OG 3.37Å |
| 319 | A | 90.9 | Very high | 85.1 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R315 E316 A321 T322 D323 | R315-A319 PolarHBondContact O-N 3.47Å; E316-A319 PolarHBondContact O-N 2.75Å; A319-A321 VanDerWaalsContact C-N 3.32Å; A319-A321 PolarHBondContact O-N 3.1Å; A319-T322 PolarHBondContact O-N 3.28Å; A319-D323 WeakPolarHBondContact O-CB 3.16Å; A319-D323 PolarHBondContact O-N 3.13Å |
| 320 | I | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.6 | -44 | 175.2 | -68.7 | 161.1 | 0 | 0 | 0 | 111.4 | E316 M317 R318 D323 S324 L360 L377 N380 V381 R384 F385 | E316-I320 WeakPolarHBondContact O-CD1 3.35Å; E316-I320 VanDerWaalsContact O-CG1 3.3Å; E316-I320 WeakPolarHBondContact O-CG1 3.48Å; E316-I320 PolarHBondContact O-N 3.17Å; M317-I320 PolarHBondContact O-N 3.23Å; R318-I320 VanDerWaalsContact C-N 3.35Å; R318-I320 PolarHBondContact O-N 2.88Å; I320-D323 PolarHBondContact O-N 3.01Å; I320-S324 WeakPolarHBondContact O-CB 3.22Å; I320-S324 PolarHBondContact O-N 2.62Å; I320-S324 VanDerWaalsContact O-N 3.17Å; I320-S324 PolarHBondContact O-OG 3.45Å; I320-L360 HydrophobicContact CB-CD1 4.2Å; I320-L360 HydrophobicContact CD1-CD1 4.27Å; I320-L360 HydrophobicContact CG2-CD1 3.81Å; I320-L377 HydrophobicContact CG2-CD1 3.75Å; I320-N380 HydrophobicContact CG2-CB 4.17Å; I320-V381 HydrophobicContact CG2-CG2 3.69Å; I320-R384 HydrophobicContact CD1-CB 3.8Å; I320-R384 HydrophobicContact CD1-CG 4.45Å; I320-R384 HydrophobicContact CG1-CB 3.58Å; I320-R384 HydrophobicContact CG1-CG 3.66Å; I320-F385 HydrophobicContact CD1-CD1 4.21Å; I320-F385 HydrophobicContact CD1-CD2 3.84Å; I320-F385 HydrophobicContact CD1-CE1 3.92Å; I320-F385 HydrophobicContact CD1-CE2 3.48Å; I320-F385 VanDerWaalsContact CD1-CE2 3.48Å; I320-F385 HydrophobicContact CD1-CG 4.17Å; I320-F385 HydrophobicContact CD1-CZ 3.52Å |
| 321 | A | 92.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M317 R318 A319 S324 E325 M326 L331 | M317-A321 PolarHBondContact O-N 3.15Å; R318-A321 PolarHBondContact O-N 3.36Å; A319-A321 VanDerWaalsContact C-N 3.32Å; A319-A321 PolarHBondContact O-N 3.1Å; A321-S324 PolarHBondContact O-N 3.26Å; A321-E325 PolarHBondContact O-N 3.3Å; A321-M326 HydrophobicContact CB-CB 4Å; A321-M326 HydrophobicContact CB-CG 4.29Å; A321-M326 HydrophobicContact CB-SD 4.21Å; A321-M326 WeakPolarHBondContact O-CB 3.45Å; A321-M326 PolarHBondContact O-N 3.26Å; A321-L331 HydrophobicContact CB-CB 4.27Å; A321-L331 HydrophobicContact CB-CD1 3.89Å; A321-L331 HydrophobicContact CB-CD2 4.06Å; A321-L331 HydrophobicContact CB-CG 4.28Å |
| 322 | T | 91.2 | Very high | 90 | Very high | 103 Ų | 103 | 48.7 Ų | 48.7 | 63% | 0.632 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.9 | -46 | 174.2 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | R318 A319 S324 E325 | R318-T322 PolarHBondContact O-N 3.47Å; R318-T322 PolarHBondContact O-OG1 3Å; A319-T322 PolarHBondContact O-N 3.28Å; T322-S324 PolarHBondContact O-N 2.9Å; T322-S324 VanDerWaalsContact O-N 3.12Å; T322-E325 PolarHBondContact O-N 2.59Å |
| 323 | D | 91.5 | Very high | 91 | Very high | 72 Ų | 72 | 45.3 Ų | 45.3 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63 | -16.6 | 177.3 | -63.6 | -24.1 | 0 | 0 | 0 | 113 | A319 I320 N380 R384 | A319-D323 WeakPolarHBondContact O-CB 3.16Å; A319-D323 PolarHBondContact O-N 3.13Å; I320-D323 PolarHBondContact O-N 3.01Å; D323-N380 VanDerWaalsContact C-ND2 3.32Å; D323-N380 PolarHBondContact O-ND2 3.18Å; D323-R384 IonicContact OD1-NH2 3.1Å; D323-R384 PolarHBondContact OD1-NH2 2.97Å; D323-R384 IonicContact OD2-CZ 3.96Å; D323-R384 IonicContact OD2-NE 3.01Å; D323-R384 PolarHBondContact OD2-NE 3.23Å; D323-R384 IonicContact OD2-NH2 2.78Å; D323-R384 PolarHBondContact OD2-NH2 3.34Å |
| 324 | S | 90.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 45 Ų | 45 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 6.9 | -174.3 | -48.9 | 0 | 0 | 0 | 0 | 114.3 | I320 A321 T322 M326 F369 L377 N380 | I320-S324 WeakPolarHBondContact O-CB 3.22Å; I320-S324 PolarHBondContact O-N 2.62Å; I320-S324 VanDerWaalsContact O-N 3.17Å; I320-S324 PolarHBondContact O-OG 3.45Å; A321-S324 PolarHBondContact O-N 3.26Å; T322-S324 PolarHBondContact O-N 2.9Å; T322-S324 VanDerWaalsContact O-N 3.12Å; S324-M326 PolarHBondContact O-N 3.43Å; S324-F369 WeakPolarHBondContact O-CZ 3.37Å; S324-L377 WeakPolarHBondContact OG-CA 3.46Å; S324-N380 PolarHBondContact OG-ND2 3.09Å |
| 325 | E | 89.1 | Confident | 91.7 | Very high | 144 Ų | 144 | 44.1 Ų | 44.1 | 67% | 0.673 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 33.2 | -170.5 | -55.4 | 178.1 | -174.6 | 0 | 0 | 113.9 | A321 T322 K373 | A321-E325 PolarHBondContact O-N 3.3Å; T322-E325 PolarHBondContact O-N 2.59Å; E325-K373 IonicContact OE2-NZ 3.37Å; E325-K373 PolarHBondContact OE2-NZ 3.13Å |
| 326 | M | 91.7 | Very high | 91.9 | Very high | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | trans | -86.7 | 123.2 | 179.4 | -179.6 | 173.8 | 146.9 | 0 | 0 | 110.3 | A321 S324 M330 L331 A334 L360 F369 L377 | A321-M326 HydrophobicContact CB-CB 4Å; A321-M326 HydrophobicContact CB-CG 4.29Å; A321-M326 HydrophobicContact CB-SD 4.21Å; A321-M326 WeakPolarHBondContact O-CB 3.45Å; A321-M326 PolarHBondContact O-N 3.26Å; S324-M326 PolarHBondContact O-N 3.43Å; M326-M330 HydrophobicContact CE-CB 3.77Å; M326-M330 HydrophobicContact CG-CB 3.96Å; M326-M330 HydrophobicContact CG-CE 4.15Å; M326-M330 HydrophobicContact CG-SD 4.43Å; M326-L331 HydrophobicContact CE-CB 4.29Å; M326-A334 HydrophobicContact CE-CB 4.21Å; M326-L360 HydrophobicContact CE-CD2 3.68Å; M326-L360 HydrophobicContact SD-CD2 4.22Å; M326-F369 HydrophobicContact CB-CE2 4.43Å; M326-F369 HydrophobicContact CB-CZ 4.39Å; M326-L377 HydrophobicContact SD-CD1 4.19Å; M326-L377 HydrophobicContact SD-CD2 4.2Å | ||
| 327 | E | 92 | Very high | 92.1 | Very high | 122 Ų | 122 | 32 Ų | 32 | 57% | 0.57 | 17% | 0.172 | S | C | * | . | trans | -56.7 | 143.8 | -179.2 | -166.7 | -177.4 | 170.1 | 0 | 0 | 113.3 | A329 M330 L331 | E327-A329 HydrophobicContact CG-CB 4.31Å; E327-A329 PolarHBondContact O-N 3.22Å; E327-M330 HydrophobicContact CB-CE 3.57Å; E327-M330 PolarHBondContact O-N 3.22Å; E327-L331 PolarHBondContact O-N 2.78Å | ||
| 328 | L | 92 | Very high | 92.1 | Very high | 58 Ų | 58 | 32.1 Ų | 32.1 | 30% | 0.304 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -55.9 | -31.4 | 177.8 | -69.5 | 173.2 | 0 | 0 | 0 | 113.4 | L331 A332 Y418 | L328-L331 HydrophobicContact CD2-CD2 4.48Å; L328-L331 PolarHBondContact O-N 3.44Å; L328-A332 WeakPolarHBondContact O-CB 3.34Å; L328-A332 PolarHBondContact O-N 3.06Å; L328-Y418 HydrophobicContact CB-CD2 4.04Å; L328-Y418 HydrophobicContact CB-CE2 3.66Å |
| 329 | A | 91.8 | Very high | 92 | Very high | 35 Ų | 35 | 30.2 Ų | 30.2 | 29% | 0.289 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E327 A332 Q333 Y418 | E327-A329 HydrophobicContact CG-CB 4.31Å; E327-A329 PolarHBondContact O-N 3.22Å; A329-A332 PolarHBondContact O-N 3.33Å; A329-Q333 PolarHBondContact O-N 2.97Å; A329-Q333 VanDerWaalsContact O-N 3.07Å; A329-Y418 HydrophobicContact CB-CD2 4.47Å |
| 330 | M | 93.3 | Very high | 91.8 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 173.6 | -62.4 | -172.4 | -91.8 | 0 | 0 | 111 | M326 E327 A332 Q333 A334 S363 N367 F369 | M326-M330 HydrophobicContact CE-CB 3.77Å; M326-M330 HydrophobicContact CG-CB 3.96Å; M326-M330 HydrophobicContact CG-CE 4.15Å; M326-M330 HydrophobicContact CG-SD 4.43Å; E327-M330 HydrophobicContact CB-CE 3.57Å; E327-M330 PolarHBondContact O-N 3.22Å; M330-A332 PolarHBondContact O-N 3.07Å; M330-Q333 PolarHBondContact O-N 3.11Å; M330-A334 WeakPolarHBondContact O-CB 3.48Å; M330-A334 PolarHBondContact O-N 3.44Å; M330-S363 PolarHBondContact O-OG 3.5Å; M330-N367 HydrophobicContact CG-CB 3.75Å; M330-N367 HydrophobicContact SD-CB 3.5Å; M330-N367 VanDerWaalsContact SD-CB 3.5Å; M330-F369 HydrophobicContact CE-CD2 3.98Å; M330-F369 HydrophobicContact CE-CE2 4.29Å; M330-F369 HydrophobicContact SD-CD2 4.25Å |
| 331 | L | 94.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 175.3 | 178.9 | 61.9 | 0 | 0 | 0 | 112 | M317 R318 A321 M326 E327 L328 Q333 A334 V335 L360 L421 | M317-L331 HydrophobicContact CB-CD1 4.42Å; R318-L331 HydrophobicContact CB-CD2 3.94Å; R318-L331 HydrophobicContact CG-CD2 3.75Å; A321-L331 HydrophobicContact CB-CB 4.27Å; A321-L331 HydrophobicContact CB-CD1 3.89Å; A321-L331 HydrophobicContact CB-CD2 4.06Å; A321-L331 HydrophobicContact CB-CG 4.28Å; M326-L331 HydrophobicContact CE-CB 4.29Å; E327-L331 PolarHBondContact O-N 2.78Å; L328-L331 HydrophobicContact CD2-CD2 4.48Å; L328-L331 PolarHBondContact O-N 3.44Å; L331-Q333 VanDerWaalsContact C-N 3.33Å; L331-Q333 PolarHBondContact O-N 2.94Å; L331-A334 PolarHBondContact O-N 3.49Å; L331-V335 HydrophobicContact CD1-CG2 4.17Å; L331-V335 HydrophobicContact CG-CG2 4.48Å; L331-V335 WeakPolarHBondContact O-CG2 3.43Å; L331-V335 PolarHBondContact O-N 3.24Å; L331-L360 HydrophobicContact CD1-CD2 3.97Å; L331-L421 HydrophobicContact CB-CD1 4.27Å; L331-L421 HydrophobicContact CD2-CD1 3.95Å; L331-L421 HydrophobicContact CD2-CD2 3.86Å; L331-L421 HydrophobicContact CD2-CG 4.49Å; L331-L421 HydrophobicContact CG-CD1 3.76Å; L331-L421 HydrophobicContact CG-CD2 4.34Å |
| 332 | A | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L328 A329 M330 V335 S336 I414 H417 L421 | L328-A332 WeakPolarHBondContact O-CB 3.34Å; L328-A332 PolarHBondContact O-N 3.06Å; A329-A332 PolarHBondContact O-N 3.33Å; M330-A332 PolarHBondContact O-N 3.07Å; A332-V335 PolarHBondContact O-N 2.93Å; A332-S336 WeakPolarHBondContact O-CB 3.41Å; A332-S336 PolarHBondContact O-N 3.25Å; A332-S336 PolarHBondContact O-OG 3.21Å; A332-I414 HydrophobicContact CB-CG2 3.8Å; A332-H417 HydrophobicContact CB-CB 3.98Å; A332-L421 HydrophobicContact CB-CD1 3.98Å |
| 333 | Q | 93.5 | Very high | 90.7 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 5% | 0.051 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 174.1 | -169.9 | -169.1 | 30.7 | 0 | 0 | 111.9 | A329 M330 L331 V335 S336 Y337 S363 N367 L407 L409 I414 | A329-Q333 PolarHBondContact O-N 2.97Å; A329-Q333 VanDerWaalsContact O-N 3.07Å; M330-Q333 PolarHBondContact O-N 3.11Å; L331-Q333 VanDerWaalsContact C-N 3.33Å; L331-Q333 PolarHBondContact O-N 2.94Å; Q333-V335 PolarHBondContact O-N 3Å; Q333-S336 VanDerWaalsContact O-CB 3.32Å; Q333-S336 WeakPolarHBondContact O-CB 3.18Å; Q333-S336 PolarHBondContact O-N 3.18Å; Q333-Y337 HydrophobicContact CG-CE1 4.25Å; Q333-Y337 HydrophobicContact CG-CE2 3.99Å; Q333-Y337 PolarHBondContact NE2-OH 3.44Å; Q333-Y337 PolarHBondContact O-N 3.1Å; Q333-S363 PolarHBondContact OE1-OG 3.49Å; Q333-N367 PolarHBondContact OE1-ND2 3.15Å; Q333-L407 PolarHBondContact NE2-O 3.48Å; Q333-L409 HydrophobicContact CG-CD1 4.29Å; Q333-I414 HydrophobicContact CB-CD1 4.4Å; Q333-I414 HydrophobicContact CG-CD1 4.31Å |
| 334 | A | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M317 M326 M330 L331 Y337 F338 C359 L360 | M317-A334 HydrophobicContact CE-CB 4.21Å; M326-A334 HydrophobicContact CE-CB 4.21Å; M330-A334 WeakPolarHBondContact O-CB 3.48Å; M330-A334 PolarHBondContact O-N 3.44Å; L331-A334 PolarHBondContact O-N 3.49Å; A334-Y337 PolarHBondContact O-N 2.99Å; A334-F338 PolarHBondContact O-N 3.18Å; A334-C359 WeakPolarHBondContact CB-O 3.33Å; A334-C359 WeakPolarHBondContact O-CB 3.35Å; A334-L360 HydrophobicContact CB-CD2 3.89Å |
| 335 | V | 92.2 | Very high | 89.6 | Confident | 6 Ų | 6 | 24 Ų | 24 | 4% | 0.036 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.6 | -40.3 | 173.3 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | K314 M317 L331 A332 Q333 Y337 F338 D339 | K314-V335 HydrophobicContact CD-CG1 4.33Å; M317-V335 HydrophobicContact CE-CG2 4.3Å; L331-V335 HydrophobicContact CD1-CG2 4.17Å; L331-V335 HydrophobicContact CG-CG2 4.48Å; L331-V335 WeakPolarHBondContact O-CG2 3.43Å; L331-V335 PolarHBondContact O-N 3.24Å; A332-V335 PolarHBondContact O-N 2.93Å; Q333-V335 PolarHBondContact O-N 3Å; V335-Y337 VanDerWaalsContact C-N 3.3Å; V335-Y337 PolarHBondContact O-N 3.47Å; V335-F338 PolarHBondContact O-N 3.46Å; V335-F338 VanDerWaalsContact O-N 3.13Å; V335-D339 PolarHBondContact O-N 2.67Å |
| 336 | S | 91.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.6 | -38 | 174.9 | -53.4 | 0 | 0 | 0 | 0 | 112.6 | A332 Q333 Q340 H417 | A332-S336 WeakPolarHBondContact O-CB 3.41Å; A332-S336 PolarHBondContact O-N 3.25Å; A332-S336 PolarHBondContact O-OG 3.21Å; Q333-S336 VanDerWaalsContact O-CB 3.32Å; Q333-S336 WeakPolarHBondContact O-CB 3.18Å; Q333-S336 PolarHBondContact O-N 3.18Å; S336-Q340 WeakPolarHBondContact O-CG 3.31Å; S336-Q340 PolarHBondContact O-N 3.44Å; S336-Q340 VanDerWaalsContact O-N 3.13Å; S336-Q340 PolarHBondContact O-NE2 2.89Å; S336-H417 PolarHBondContact OG-CD2 3.27Å |
| 337 | Y | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.5 | -43.8 | 172.8 | -63.2 | -31.9 | 0 | 0 | 0 | 112.2 | Q333 A334 V335 D339 Q340 C341 L362 L366 L403 L407 L409 | Q333-Y337 HydrophobicContact CG-CE1 4.25Å; Q333-Y337 HydrophobicContact CG-CE2 3.99Å; Q333-Y337 PolarHBondContact NE2-OH 3.44Å; Q333-Y337 PolarHBondContact O-N 3.1Å; A334-Y337 PolarHBondContact O-N 2.99Å; V335-Y337 VanDerWaalsContact C-N 3.3Å; V335-Y337 PolarHBondContact O-N 3.47Å; Y337-D339 VanDerWaalsContact C-N 3.33Å; Y337-D339 PolarHBondContact O-N 3.02Å; Y337-Q340 WeakPolarHBondContact O-CB 3.35Å; Y337-Q340 PolarHBondContact O-N 3.14Å; Y337-C341 PolarHBondContact O-N 3.49Å; Y337-C341 PolarHBondContact O-SG 3.34Å; Y337-L362 HydrophobicContact CE2-CB 4.4Å; Y337-L366 HydrophobicContact CE2-CD1 4.17Å; Y337-L366 WeakPolarHBondContact OH-CD1 3.39Å; Y337-L403 HydrophobicContact CD1-CD1 3.88Å; Y337-L403 HydrophobicContact CD1-CD2 4.43Å; Y337-L403 HydrophobicContact CG-CD1 3.89Å; Y337-L407 HydrophobicContact CE1-CD2 3.98Å; Y337-L407 HydrophobicContact CE2-CD2 4.29Å; Y337-L407 PolarHBondContact OH-O 2.92Å; Y337-L409 HydrophobicContact CD1-CD1 3.91Å; Y337-L409 HydrophobicContact CD1-CG 4.49Å; Y337-L409 HydrophobicContact CE1-CD1 3.72Å; Y337-L409 HydrophobicContact CE1-CD2 4.41Å; Y337-L409 HydrophobicContact CE1-CG 3.96Å |
| 338 | F | 92.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.009 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 179.8 | -175.4 | -108.3 | 0 | 0 | 0 | 111.2 | I313 M317 A334 V335 Q340 C341 I342 I347 L355 A356 C359 | I313-F338 HydrophobicContact CB-CZ 4.38Å; I313-F338 HydrophobicContact CG2-CE1 4.05Å; I313-F338 HydrophobicContact CG2-CE2 4.23Å; I313-F338 HydrophobicContact CG2-CZ 3.67Å; M317-F338 HydrophobicContact CE-CB 4.18Å; M317-F338 HydrophobicContact SD-CB 4.3Å; M317-F338 HydrophobicContact SD-CD1 4.3Å; M317-F338 HydrophobicContact SD-CG 4.13Å; A334-F338 PolarHBondContact O-N 3.18Å; V335-F338 PolarHBondContact O-N 3.46Å; V335-F338 VanDerWaalsContact O-N 3.13Å; F338-Q340 PolarHBondContact O-N 2.87Å; F338-C341 CarbonylContact O-C 3.57Å; F338-C341 WeakPolarHBondContact O-CA 3.41Å; F338-C341 WeakPolarHBondContact O-CB 3.37Å; F338-C341 PolarHBondContact O-N 3.04Å; F338-C341 VanDerWaalsContact O-N 3.08Å; F338-I342 HydrophobicContact CD1-CD1 4.03Å; F338-I342 HydrophobicContact CD1-CG1 4.42Å; F338-I342 HydrophobicContact CE1-CD1 3.83Å; F338-I342 HydrophobicContact CE1-CG1 4.26Å; F338-I342 WeakPolarHBondContact O-CG1 3.45Å; F338-I342 PolarHBondContact O-N 3.02Å; F338-I347 HydrophobicContact CD2-CD1 3.96Å; F338-I347 HydrophobicContact CE1-CD1 4.45Å; F338-I347 HydrophobicContact CE2-CD1 3.54Å; F338-I347 HydrophobicContact CE2-CG1 4.43Å; F338-I347 HydrophobicContact CZ-CD1 3.82Å; F338-L355 HydrophobicContact CE2-CB 4.47Å; F338-A356 HydrophobicContact CD2-CB 4.02Å; F338-A356 HydrophobicContact CE2-CB 3.82Å; F338-A356 HydrophobicContact CZ-CB 4.46Å; F338-C359 HydrophobicContact CB-CB 4.37Å |
| 339 | D | 88.6 | Confident | 87.5 | Confident | 7 Ų | 7 | 19.5 Ų | 19.5 | 4% | 0.037 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.8 | -34.9 | 176.5 | -76.2 | -10.2 | 0 | 0 | 0 | 112.2 | L269 K314 V335 Y337 C341 I342 L343 H417 | L269-D339 HydrophobicContact CD1-CB 4.5Å; K314-D339 VanDerWaalsContact CE-CG 3.49Å; K314-D339 WeakPolarHBondContact CE-OD1 3.36Å; K314-D339 VanDerWaalsContact CE-OD2 3.27Å; K314-D339 WeakPolarHBondContact CE-OD2 3.25Å; K314-D339 IonicContact NZ-OD1 2.82Å; K314-D339 PolarHBondContact NZ-OD1 2.88Å; K314-D339 IonicContact NZ-OD2 2.66Å; K314-D339 PolarHBondContact NZ-OD2 2.92Å; V335-D339 PolarHBondContact O-N 2.67Å; Y337-D339 VanDerWaalsContact C-N 3.33Å; Y337-D339 PolarHBondContact O-N 3.02Å; D339-C341 VanDerWaalsContact C-N 3.33Å; D339-C341 PolarHBondContact O-N 3.29Å; D339-I342 WeakPolarHBondContact O-CB 3.3Å; D339-I342 PolarHBondContact O-N 2.91Å; D339-I342 VanDerWaalsContact O-N 3.12Å; D339-I342 WeakPolarHBondContact OD1-CD1 3.49Å; D339-L343 WeakPolarHBondContact O-CG 3.48Å; D339-L343 PolarHBondContact O-N 3.49Å; D339-H417 IonicContact OD2-CE1 3.37Å; D339-H417 PolarHBondContact OD2-CE1 2.84Å |
| 340 | Q | 86.8 | Confident | 87.1 | Confident | 7 Ų | 7 | 23.1 Ų | 23.1 | 3% | 0.033 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 167.8 | -76.9 | 170.7 | 77.9 | 0 | 0 | 112.6 | L252 S336 Y337 F338 I342 L343 K344 L403 L409 | L252-Q340 HydrophobicContact CD2-CG 4.04Å; S336-Q340 WeakPolarHBondContact O-CG 3.31Å; S336-Q340 PolarHBondContact O-N 3.44Å; S336-Q340 VanDerWaalsContact O-N 3.13Å; S336-Q340 PolarHBondContact O-NE2 2.89Å; Y337-Q340 WeakPolarHBondContact O-CB 3.35Å; Y337-Q340 PolarHBondContact O-N 3.14Å; F338-Q340 PolarHBondContact O-N 2.87Å; Q340-I342 VanDerWaalsContact C-N 3.33Å; Q340-I342 PolarHBondContact O-N 3.21Å; Q340-L343 PolarHBondContact O-N 2.89Å; Q340-K344 WeakPolarHBondContact O-CB 3.36Å; Q340-K344 WeakPolarHBondContact O-CG 3.35Å; Q340-K344 PolarHBondContact O-N 3.36Å; Q340-L403 HydrophobicContact CB-CD2 3.76Å; Q340-L409 VanDerWaalsContact NE2-CD2 3.32Å |
| 341 | C | 87 | Confident | 86.8 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67 | -31.2 | 172.6 | -65.4 | 0 | 0 | 0 | 0 | 112.9 | Y337 F338 D339 G345 L346 I347 L355 | Y337-C341 PolarHBondContact O-N 3.49Å; Y337-C341 PolarHBondContact O-SG 3.34Å; F338-C341 CarbonylContact O-C 3.57Å; F338-C341 WeakPolarHBondContact O-CA 3.41Å; F338-C341 WeakPolarHBondContact O-CB 3.37Å; F338-C341 PolarHBondContact O-N 3.04Å; F338-C341 VanDerWaalsContact O-N 3.08Å; D339-C341 VanDerWaalsContact C-N 3.33Å; D339-C341 PolarHBondContact O-N 3.29Å; C341-G345 PolarHBondContact O-N 2.96Å; C341-G345 VanDerWaalsContact O-N 3.12Å; C341-L346 PolarHBondContact O-N 3.4Å; C341-I347 HydrophobicContact CB-CD1 3.81Å; C341-I347 HydrophobicContact CB-CG1 4.21Å; C341-L355 HydrophobicContact CB-CD2 3.96Å |
| 342 | I | 85.7 | Confident | 86.6 | Confident | 11 Ų | 11 | 24.7 Ų | 24.7 | 6% | 0.056 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.9 | -47.7 | 171.2 | -63.3 | 176.4 | 0 | 0 | 0 | 109.7 | L269 K310 F338 D339 Q340 G345 I347 | L269-I342 HydrophobicContact CD2-CG2 3.95Å; K310-I342 HydrophobicContact CD-CD1 4.34Å; F338-I342 HydrophobicContact CD1-CD1 4.03Å; F338-I342 HydrophobicContact CD1-CG1 4.42Å; F338-I342 HydrophobicContact CE1-CD1 3.83Å; F338-I342 HydrophobicContact CE1-CG1 4.26Å; F338-I342 WeakPolarHBondContact O-CG1 3.45Å; F338-I342 PolarHBondContact O-N 3.02Å; D339-I342 WeakPolarHBondContact O-CB 3.3Å; D339-I342 PolarHBondContact O-N 2.91Å; D339-I342 VanDerWaalsContact O-N 3.12Å; D339-I342 WeakPolarHBondContact OD1-CD1 3.49Å; Q340-I342 VanDerWaalsContact C-N 3.33Å; Q340-I342 PolarHBondContact O-N 3.21Å; I342-G345 WeakPolarHBondContact O-CA 3.34Å; I342-G345 PolarHBondContact O-N 3.05Å; I342-I347 HydrophobicContact CB-CD1 4.29Å; I342-I347 HydrophobicContact CG1-CD1 3.44Å; I342-I347 VanDerWaalsContact CG1-CD1 3.44Å |
| 343 | L | 80.4 | Confident | 86.5 | Confident | 50 Ų | 50 | 27 Ų | 27 | 26% | 0.262 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -66.5 | -41.4 | -179.3 | -69.5 | 170 | 0 | 0 | 0 | 112.4 | F242 L269 D339 Q340 G345 | F242-L343 HydrophobicContact CZ-CD2 4.5Å; L269-L343 HydrophobicContact CD1-CD1 4.32Å; L269-L343 HydrophobicContact CD1-CD2 3.81Å; L269-L343 HydrophobicContact CD1-CG 3.92Å; D339-L343 WeakPolarHBondContact O-CG 3.48Å; D339-L343 PolarHBondContact O-N 3.49Å; Q340-L343 PolarHBondContact O-N 2.89Å; L343-G345 PolarHBondContact O-N 3.46Å |
| 344 | K | 79.4 | Confident | 86.4 | Confident | 16 Ų | 16 | 28.5 Ų | 28.5 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.8 | -14.9 | 170.4 | -73.7 | -176.9 | -178.6 | -168.3 | 0 | 112.6 | R238 F250 Q340 L346 A402 E404 | R238-K344 PolarHBondContact NH1-O 3.27Å; F250-K344 HydrophobicContact CD1-CD 4.44Å; F250-K344 VanDerWaalsContact CD1-CE 3.41Å; F250-K344 HydrophobicContact CD1-CG 4.26Å; F250-K344 HydrophobicContact CE1-CD 3.96Å; F250-K344 HydrophobicContact CE1-CG 3.49Å; F250-K344 VanDerWaalsContact CE1-CG 3.49Å; F250-K344 HydrophobicContact CE2-CG 3.81Å; F250-K344 HydrophobicContact CZ-CB 4.25Å; F250-K344 HydrophobicContact CZ-CD 4.2Å; F250-K344 HydrophobicContact CZ-CG 3.22Å; Q340-K344 WeakPolarHBondContact O-CB 3.36Å; Q340-K344 WeakPolarHBondContact O-CG 3.35Å; Q340-K344 PolarHBondContact O-N 3.36Å; K344-L346 HydrophobicContact CB-CD1 3.71Å; K344-L346 HydrophobicContact CB-CG 3.82Å; K344-L346 HydrophobicContact CD-CD1 4.45Å; K344-A402 WeakPolarHBondContact CD-O 3.46Å; K344-A402 WeakPolarHBondContact CE-O 3.47Å; K344-A402 PolarHBondContact NZ-O 3.28Å; K344-E404 IonicContact NZ-OE1 2.7Å; K344-E404 PolarHBondContact NZ-OE1 3.06Å; K344-E404 IonicContact NZ-OE2 3.92Å |
| 345 | G | 78.7 | Confident | 86.4 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 36.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P230 F234 C341 I342 L343 | P230-G345 WeakPolarHBondContact CB-O 3.38Å; F234-G345 WeakPolarHBondContact CD1-O 3.21Å; F234-G345 VanDerWaalsContact CE1-CA 3.46Å; F234-G345 VanDerWaalsContact CE1-O 3.25Å; F234-G345 WeakPolarHBondContact CE1-O 3.46Å; C341-G345 PolarHBondContact O-N 2.96Å; C341-G345 VanDerWaalsContact O-N 3.12Å; I342-G345 WeakPolarHBondContact O-CA 3.34Å; I342-G345 PolarHBondContact O-N 3.05Å; L343-G345 PolarHBondContact O-N 3.46Å |
| 346 | L | 79.6 | Confident | 86.4 | Confident | 28 Ų | 28 | 28.2 Ų | 28.2 | 15% | 0.147 | 14% | 0.137 | C | C | . | . | trans | -95.7 | -0.5 | -174.8 | -57.7 | 168.5 | 0 | 0 | 0 | 113 | C341 K344 N351 L355 A402 | C341-L346 PolarHBondContact O-N 3.4Å; K344-L346 HydrophobicContact CB-CD1 3.71Å; K344-L346 HydrophobicContact CB-CG 3.82Å; K344-L346 HydrophobicContact CD-CD1 4.45Å; L346-N351 PolarHBondContact O-ND2 3.49Å; L346-N351 PolarHBondContact O-OD1 3.27Å; L346-L355 HydrophobicContact CB-CD2 4.13Å; L346-A402 HydrophobicContact CD1-CB 3.56Å | ||
| 347 | I | 84.6 | Confident | 86.6 | Confident | 20 Ų | 20 | 28.1 Ų | 28.1 | 10% | 0.103 | 14% | 0.137 | C | C | . | . | trans | -104.1 | 108.3 | -167.5 | -71.6 | 169.2 | 0 | 0 | 0 | 111.5 | F234 F338 C341 I342 N351 R352 L355 | F234-I347 VanDerWaalsContact CD2-O 3.28Å; F234-I347 WeakPolarHBondContact CD2-O 3.36Å; F234-I347 WeakPolarHBondContact CE2-O 3.4Å; F338-I347 HydrophobicContact CD2-CD1 3.96Å; F338-I347 HydrophobicContact CE1-CD1 4.45Å; F338-I347 HydrophobicContact CE2-CD1 3.54Å; F338-I347 HydrophobicContact CE2-CG1 4.43Å; F338-I347 HydrophobicContact CZ-CD1 3.82Å; C341-I347 HydrophobicContact CB-CD1 3.81Å; C341-I347 HydrophobicContact CB-CG1 4.21Å; I342-I347 HydrophobicContact CB-CD1 4.29Å; I342-I347 HydrophobicContact CG1-CD1 3.44Å; I342-I347 VanDerWaalsContact CG1-CD1 3.44Å; I347-N351 WeakPolarHBondContact CA-OD1 3.28Å; I347-R352 HydrophobicContact CG2-CB 3.59Å; I347-L355 HydrophobicContact CD1-CD2 4.46Å; I347-L355 HydrophobicContact CG1-CD2 3.67Å | ||
| 348 | D | 80.4 | Confident | 86.7 | Confident | 26 Ų | 26 | 28.2 Ų | 28.2 | 14% | 0.139 | 14% | 0.137 | C | C | . | . | trans | -100.6 | 168.2 | 171.8 | -97.2 | -33.2 | 0 | 0 | 0 | 112.3 | P230 S231 T350 N351 R352 | P230-D348 WeakPolarHBondContact CA-OD2 3.35Å; S231-D348 WeakPolarHBondContact CB-OD1 3.4Å; S231-D348 WeakPolarHBondContact CB-OD2 3.37Å; S231-D348 PolarHBondContact N-OD2 3.19Å; S231-D348 PolarHBondContact OG-OD1 3.41Å; D348-T350 PolarHBondContact O-N 3.39Å; D348-T350 VanDerWaalsContact O-N 3.16Å; D348-N351 PolarHBondContact N-OD1 3.03Å; D348-N351 PolarHBondContact O-N 2.87Å; D348-N351 PolarHBondContact O-OD1 3.1Å; D348-R352 VanDerWaalsContact O-CB 3.24Å; D348-R352 WeakPolarHBondContact O-CB 3.43Å; D348-R352 WeakPolarHBondContact O-CG 3.37Å; D348-R352 PolarHBondContact O-N 3.36Å; D348-R352 VanDerWaalsContact O-N 3.07Å | ||
| 349 | K | 77.8 | Confident | 86.8 | Confident | 168 Ų | 168 | 28.1 Ų | 28.1 | 73% | 0.73 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -31.1 | 177.9 | -171.3 | -179 | 175 | -169.7 | 0 | 113.6 | R352 | K349-R352 PolarHBondContact O-NE 2.96Å; K349-R352 VanDerWaalsContact O-NE 3.16Å |
| 350 | T | 81.8 | Confident | 87.1 | Confident | 110 Ų | 110 | 27.8 Ų | 27.8 | 68% | 0.675 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -49.4 | -178.8 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | D348 | D348-T350 PolarHBondContact O-N 3.39Å; D348-T350 VanDerWaalsContact O-N 3.16Å |
| 351 | N | 87.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -19.7 | -172.4 | 76.6 | 5.2 | 0 | 0 | 0 | 113.9 | L346 I347 D348 K353 Y354 L355 Y395 | L346-N351 PolarHBondContact O-ND2 3.49Å; L346-N351 PolarHBondContact O-OD1 3.27Å; I347-N351 WeakPolarHBondContact CA-OD1 3.28Å; D348-N351 PolarHBondContact N-OD1 3.03Å; D348-N351 PolarHBondContact O-N 2.87Å; D348-N351 PolarHBondContact O-OD1 3.1Å; N351-K353 PolarHBondContact O-N 3.45Å; N351-Y354 WeakPolarHBondContact O-CA 3.44Å; N351-Y354 WeakPolarHBondContact O-CB 3.3Å; N351-Y354 PolarHBondContact O-N 3.18Å; N351-L355 HydrophobicContact CB-CD1 3.63Å; N351-L355 VanDerWaalsContact CG-CD1 3.49Å; N351-L355 VanDerWaalsContact O-CD1 3.26Å; N351-L355 WeakPolarHBondContact O-CD1 3.46Å; N351-L355 PolarHBondContact O-N 2.77Å; N351-Y395 HydrophobicContact CB-CE1 3.96Å |
| 352 | R | 89.5 | Confident | 87.8 | Confident | 47 Ų | 47 | 28.1 Ų | 28.1 | 18% | 0.177 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -47.9 | -37.8 | -175.1 | 62.8 | -167.8 | -175.7 | 166.5 | 12 | 115.8 | F309 I313 I347 D348 K349 A356 | F309-R352 VanDerWaalsContact CB-NH1 3.27Å; F309-R352 VanDerWaalsContact CG-NH1 3.3Å; I313-R352 HydrophobicContact CD1-CB 3.78Å; I313-R352 HydrophobicContact CD1-CG 3.57Å; I347-R352 HydrophobicContact CG2-CB 3.59Å; D348-R352 VanDerWaalsContact O-CB 3.24Å; D348-R352 WeakPolarHBondContact O-CB 3.43Å; D348-R352 WeakPolarHBondContact O-CG 3.37Å; D348-R352 PolarHBondContact O-N 3.36Å; D348-R352 VanDerWaalsContact O-N 3.07Å; K349-R352 PolarHBondContact O-NE 2.96Å; K349-R352 VanDerWaalsContact O-NE 3.16Å; R352-A356 WeakPolarHBondContact O-CB 3.42Å; R352-A356 PolarHBondContact O-N 2.85Å; R352-A356 VanDerWaalsContact O-N 3.1Å |
| 353 | K | 91.8 | Very high | 88.3 | Confident | 49 Ų | 49 | 27.6 Ų | 27.6 | 21% | 0.213 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -75.9 | -37.7 | 177.7 | -73.4 | -162.4 | 168.6 | -137.8 | 0 | 112.2 | E316 N351 A356 G357 F385 L387 | E316-K353 IonicContact OE2-NZ 2.6Å; E316-K353 PolarHBondContact OE2-NZ 3.41Å; N351-K353 PolarHBondContact O-N 3.45Å; K353-A356 PolarHBondContact O-N 2.78Å; K353-G357 PolarHBondContact O-N 3.32Å; K353-F385 HydrophobicContact CB-CB 4.23Å; K353-F385 HydrophobicContact CB-CD1 4.33Å; K353-F385 HydrophobicContact CB-CG 4.23Å; K353-F385 HydrophobicContact CD-CB 3.98Å; K353-F385 HydrophobicContact CD-CD1 3.98Å; K353-F385 HydrophobicContact CD-CG 4.29Å; K353-F385 WeakPolarHBondContact CD-O 3.28Å; K353-F385 HydrophobicContact CG-CD1 4.08Å; K353-F385 HydrophobicContact CG-CG 4.43Å; K353-F385 PolarHBondContact NZ-O 3.2Å; K353-F385 VanDerWaalsContact NZ-O 3.11Å; K353-L387 HydrophobicContact CB-CD1 4.07Å; K353-L387 HydrophobicContact CB-CD2 3.92Å; K353-L387 HydrophobicContact CB-CG 4.45Å |
| 354 | Y | 92.5 | Very high | 88.9 | Confident | 42 Ų | 42 | 25.2 Ų | 25.2 | 17% | 0.165 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 173 | -69 | -77.1 | 0 | 0 | 0 | 111.2 | N351 G357 V358 L387 D391 L392 Y395 | N351-Y354 WeakPolarHBondContact O-CA 3.44Å; N351-Y354 WeakPolarHBondContact O-CB 3.3Å; N351-Y354 PolarHBondContact O-N 3.18Å; Y354-G357 PolarHBondContact O-N 3.12Å; Y354-V358 WeakPolarHBondContact O-CB 3.42Å; Y354-V358 WeakPolarHBondContact O-CG2 3.18Å; Y354-V358 PolarHBondContact O-N 3.46Å; Y354-L387 HydrophobicContact CD1-CB 4.35Å; Y354-L387 HydrophobicContact CD1-CD1 3.8Å; Y354-L387 HydrophobicContact CD1-CD2 4.3Å; Y354-L387 HydrophobicContact CD1-CG 4.37Å; Y354-L387 HydrophobicContact CD2-CD2 4.18Å; Y354-L387 HydrophobicContact CE1-CB 3.79Å; Y354-L387 HydrophobicContact CE1-CD1 4.06Å; Y354-L387 HydrophobicContact CE1-CD2 3.95Å; Y354-L387 HydrophobicContact CE1-CG 4.13Å; Y354-L387 HydrophobicContact CE2-CD2 3.84Å; Y354-L387 HydrophobicContact CG-CD1 4.14Å; Y354-L387 HydrophobicContact CG-CD2 4.4Å; Y354-D391 HydrophobicContact CD1-CB 4.46Å; Y354-D391 HydrophobicContact CE1-CB 3.57Å; Y354-L392 HydrophobicContact CD1-CD1 4.31Å; Y354-Y395 AromaticContact CD1-CD2 3.86Å; Y354-Y395 HydrophobicContact CD1-CD2 3.86Å; Y354-Y395 AromaticContact CD1-CE2 3.89Å; Y354-Y395 HydrophobicContact CD1-CE2 3.89Å; Y354-Y395 AromaticContact CD2-CE2 3.95Å; Y354-Y395 HydrophobicContact CD2-CE2 3.95Å; Y354-Y395 HydrophobicContact CE1-CE2 4.45Å; Y354-Y395 HydrophobicContact CE2-CE2 4.49Å; Y354-Y395 AromaticContact CG-CD2 3.77Å; Y354-Y395 HydrophobicContact CG-CD2 3.77Å; Y354-Y395 AromaticContact CG-CE2 3.61Å; Y354-Y395 HydrophobicContact CG-CE2 3.61Å |
| 355 | L | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 176.5 | -82.6 | 76.9 | 0 | 0 | 0 | 111.2 | L228 F338 C341 L346 I347 N351 G357 V358 C359 Y395 V399 | L228-L355 HydrophobicContact CD2-CD1 3.9Å; L228-L355 HydrophobicContact CD2-CD2 4.23Å; L228-L355 HydrophobicContact CD2-CG 4.3Å; F338-L355 HydrophobicContact CE2-CB 4.47Å; C341-L355 HydrophobicContact CB-CD2 3.96Å; L346-L355 HydrophobicContact CB-CD2 4.13Å; I347-L355 HydrophobicContact CD1-CD2 4.46Å; I347-L355 HydrophobicContact CG1-CD2 3.67Å; N351-L355 HydrophobicContact CB-CD1 3.63Å; N351-L355 VanDerWaalsContact CG-CD1 3.49Å; N351-L355 VanDerWaalsContact O-CD1 3.26Å; N351-L355 WeakPolarHBondContact O-CD1 3.46Å; N351-L355 PolarHBondContact O-N 2.77Å; L355-G357 PolarHBondContact O-N 2.93Å; L355-V358 PolarHBondContact O-N 3.08Å; L355-C359 WeakPolarHBondContact O-CB 3.43Å; L355-C359 PolarHBondContact O-N 2.7Å; L355-C359 PolarHBondContact O-SG 3.17Å; L355-Y395 HydrophobicContact CD1-CD1 4.04Å; L355-Y395 HydrophobicContact CD1-CE1 4.31Å; L355-V399 HydrophobicContact CD2-CG2 4.44Å; L355-V399 HydrophobicContact CG-CG2 3.9Å |
| 356 | A | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I313 M317 F338 R352 K353 C359 L360 F385 | I313-A356 HydrophobicContact CG2-CB 3.52Å; M317-A356 HydrophobicContact CG-CB 3.91Å; M317-A356 HydrophobicContact SD-CB 3.77Å; F338-A356 HydrophobicContact CD2-CB 4.02Å; F338-A356 HydrophobicContact CE2-CB 3.82Å; F338-A356 HydrophobicContact CZ-CB 4.46Å; R352-A356 WeakPolarHBondContact O-CB 3.42Å; R352-A356 PolarHBondContact O-N 2.85Å; R352-A356 VanDerWaalsContact O-N 3.1Å; K353-A356 PolarHBondContact O-N 2.78Å; A356-C359 PolarHBondContact O-N 2.89Å; A356-L360 PolarHBondContact O-N 2.98Å; A356-F385 HydrophobicContact CB-CE1 4.48Å; A356-F385 HydrophobicContact CB-CE2 3.92Å; A356-F385 HydrophobicContact CB-CZ 3.67Å |
| 357 | G | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K353 Y354 L355 L360 V361 | K353-G357 PolarHBondContact O-N 3.32Å; Y354-G357 PolarHBondContact O-N 3.12Å; L355-G357 PolarHBondContact O-N 2.93Å; G357-L360 PolarHBondContact O-N 2.83Å; G357-V361 WeakPolarHBondContact O-CG2 3.25Å; G357-V361 PolarHBondContact O-N 3.5Å |
| 358 | V | 94.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.7 | -40.6 | 175.3 | 165.3 | 0 | 0 | 0 | 0 | 111.8 | Y354 L355 L360 V361 L362 L392 V399 | Y354-V358 WeakPolarHBondContact O-CB 3.42Å; Y354-V358 WeakPolarHBondContact O-CG2 3.18Å; Y354-V358 PolarHBondContact O-N 3.46Å; L355-V358 PolarHBondContact O-N 3.08Å; V358-L360 VanDerWaalsContact C-N 3.3Å; V358-L360 PolarHBondContact O-N 3.25Å; V358-V361 PolarHBondContact O-N 2.94Å; V358-L362 HydrophobicContact CG1-CD1 3.65Å; V358-L362 HydrophobicContact CG1-CG 3.96Å; V358-L362 WeakPolarHBondContact O-CB 3.22Å; V358-L362 WeakPolarHBondContact O-CG 3.34Å; V358-L362 PolarHBondContact O-N 3.49Å; V358-L392 HydrophobicContact CG2-CD1 3.87Å; V358-L392 HydrophobicContact CG2-CG 4.1Å; V358-L392 WeakPolarHBondContact CG2-O 3.14Å; V358-V399 HydrophobicContact CB-CG2 4.48Å; V358-V399 HydrophobicContact CG1-CB 3.69Å; V358-V399 HydrophobicContact CG1-CG1 3.92Å; V358-V399 HydrophobicContact CG1-CG2 3.93Å |
| 359 | C | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -38.8 | 176.1 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | M317 A334 F338 L355 A356 S363 | M317-C359 HydrophobicContact CE-CB 4.36Å; A334-C359 WeakPolarHBondContact CB-O 3.33Å; A334-C359 WeakPolarHBondContact O-CB 3.35Å; F338-C359 HydrophobicContact CB-CB 4.37Å; L355-C359 WeakPolarHBondContact O-CB 3.43Å; L355-C359 PolarHBondContact O-N 2.7Å; L355-C359 PolarHBondContact O-SG 3.17Å; A356-C359 PolarHBondContact O-N 2.89Å; C359-S363 PolarHBondContact O-N 3.08Å; C359-S363 VanDerWaalsContact O-N 3.15Å |
| 360 | L | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -50.7 | 170.9 | -69.9 | 170.1 | 0 | 0 | 0 | 111.5 | M317 I320 M326 L331 A334 A356 G357 V358 L362 S363 A364 V381 F385 | M317-L360 HydrophobicContact CB-CD1 4.24Å; M317-L360 HydrophobicContact CB-CD2 4.34Å; M317-L360 HydrophobicContact CE-CD2 4.14Å; M317-L360 HydrophobicContact CE-CG 4.04Å; M317-L360 HydrophobicContact CG-CD1 4.19Å; M317-L360 HydrophobicContact CG-CG 4.43Å; I320-L360 HydrophobicContact CB-CD1 4.2Å; I320-L360 HydrophobicContact CD1-CD1 4.27Å; I320-L360 HydrophobicContact CG2-CD1 3.81Å; M326-L360 HydrophobicContact CE-CD2 3.68Å; M326-L360 HydrophobicContact SD-CD2 4.22Å; L331-L360 HydrophobicContact CD1-CD2 3.97Å; A334-L360 HydrophobicContact CB-CD2 3.89Å; A356-L360 PolarHBondContact O-N 2.98Å; G357-L360 PolarHBondContact O-N 2.83Å; V358-L360 VanDerWaalsContact C-N 3.3Å; V358-L360 PolarHBondContact O-N 3.25Å; L360-L362 PolarHBondContact O-N 3.46Å; L360-S363 PolarHBondContact O-N 3.44Å; L360-A364 VanDerWaalsContact O-CB 3.31Å; L360-A364 WeakPolarHBondContact O-CB 3.02Å; L360-A364 PolarHBondContact O-N 3.13Å; L360-V381 HydrophobicContact CD1-CG2 4.13Å; L360-F385 HydrophobicContact CD1-CE2 4.41Å |
| 361 | V | 94.3 | Very high | 92 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | -178.4 | 171.8 | 0 | 0 | 0 | 0 | 112.3 | G357 V358 K365 L378 L392 | G357-V361 WeakPolarHBondContact O-CG2 3.25Å; G357-V361 PolarHBondContact O-N 3.5Å; V358-V361 PolarHBondContact O-N 2.94Å; V361-K365 HydrophobicContact CG1-CD 4.06Å; V361-K365 HydrophobicContact CG1-CG 4.39Å; V361-K365 WeakPolarHBondContact O-CB 3.2Å; V361-K365 VanDerWaalsContact O-CG 3.28Å; V361-K365 WeakPolarHBondContact O-CG 3.03Å; V361-K365 PolarHBondContact O-N 3.4Å; V361-L378 HydrophobicContact CG2-CD2 3.64Å; V361-L392 HydrophobicContact CG2-CD2 4.3Å |
| 362 | L | 94.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -48.7 | 176.3 | -75.1 | 173.9 | 0 | 0 | 0 | 111.3 | Y337 V358 L360 A364 K365 L366 E396 V399 A400 L403 | Y337-L362 HydrophobicContact CE2-CB 4.4Å; V358-L362 HydrophobicContact CG1-CD1 3.65Å; V358-L362 HydrophobicContact CG1-CG 3.96Å; V358-L362 WeakPolarHBondContact O-CB 3.22Å; V358-L362 WeakPolarHBondContact O-CG 3.34Å; V358-L362 PolarHBondContact O-N 3.49Å; L360-L362 PolarHBondContact O-N 3.46Å; L362-A364 PolarHBondContact O-N 3.03Å; L362-K365 PolarHBondContact O-N 2.86Å; L362-L366 VanDerWaalsContact O-CD1 3.27Å; L362-L366 WeakPolarHBondContact O-CD1 3.39Å; L362-L366 VanDerWaalsContact O-CG 3.29Å; L362-L366 WeakPolarHBondContact O-CG 3.43Å; L362-L366 PolarHBondContact O-N 3.03Å; L362-L366 VanDerWaalsContact O-N 3.1Å; L362-E396 HydrophobicContact CD2-CG 3.86Å; L362-V399 HydrophobicContact CD1-CB 4.31Å; L362-V399 HydrophobicContact CD1-CG1 3.82Å; L362-A400 HydrophobicContact CD2-CB 4.5Å; L362-L403 HydrophobicContact CD1-CD1 4.42Å |
| 363 | S | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.7 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | M330 Q333 C359 L360 K365 L366 N367 | M330-S363 PolarHBondContact O-OG 3.5Å; Q333-S363 PolarHBondContact OE1-OG 3.49Å; C359-S363 PolarHBondContact O-N 3.08Å; C359-S363 VanDerWaalsContact O-N 3.15Å; L360-S363 PolarHBondContact O-N 3.44Å; S363-K365 PolarHBondContact O-N 2.79Å; S363-L366 PolarHBondContact O-N 3.46Å; S363-N367 PolarHBondContact O-N 3.04Å; S363-N367 VanDerWaalsContact O-N 3.17Å; S363-N367 PolarHBondContact O-ND2 2.89Å |
| 364 | A | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.9 | -48.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L360 L362 L366 N367 F369 L374 L377 | L360-A364 VanDerWaalsContact O-CB 3.31Å; L360-A364 WeakPolarHBondContact O-CB 3.02Å; L360-A364 PolarHBondContact O-N 3.13Å; L362-A364 PolarHBondContact O-N 3.03Å; A364-L366 VanDerWaalsContact C-N 3.27Å; A364-L366 PolarHBondContact O-N 2.97Å; A364-N367 PolarHBondContact O-N 2.93Å; A364-F369 HydrophobicContact CB-CB 3.79Å; A364-F369 HydrophobicContact CB-CD1 3.88Å; A364-F369 HydrophobicContact CB-CG 4.05Å; A364-F369 WeakPolarHBondContact O-CB 3.14Å; A364-F369 PolarHBondContact O-N 3.11Å; A364-L374 HydrophobicContact CB-CD1 4.36Å; A364-L377 HydrophobicContact CB-CD2 3.48Å; A364-L377 VanDerWaalsContact CB-CD2 3.48Å |
| 365 | K | 92.7 | Very high | 92.2 | Very high | 85 Ų | 85 | 46.7 Ų | 46.7 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.9 | -31.6 | 178.5 | -78.5 | 179.4 | 175.5 | -169.7 | 0 | 113.7 | V361 L362 S363 E396 | V361-K365 HydrophobicContact CG1-CD 4.06Å; V361-K365 HydrophobicContact CG1-CG 4.39Å; V361-K365 WeakPolarHBondContact O-CB 3.2Å; V361-K365 VanDerWaalsContact O-CG 3.28Å; V361-K365 WeakPolarHBondContact O-CG 3.03Å; V361-K365 PolarHBondContact O-N 3.4Å; L362-K365 PolarHBondContact O-N 2.86Å; S363-K365 PolarHBondContact O-N 2.79Å; K365-E396 IonicContact NZ-OE1 2.77Å; K365-E396 PolarHBondContact NZ-OE1 3.28Å; K365-E396 IonicContact NZ-OE2 2.92Å; K365-E396 PolarHBondContact NZ-OE2 2.77Å |
| 366 | L | 91.5 | Very high | 92.2 | Very high | 55 Ų | 55 | 48.6 Ų | 48.6 | 29% | 0.288 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -76.9 | -32.5 | 178.8 | -71.4 | 156.2 | 0 | 0 | 0 | 113.5 | Y337 L362 S363 A364 D368 L407 | Y337-L366 HydrophobicContact CE2-CD1 4.17Å; Y337-L366 WeakPolarHBondContact OH-CD1 3.39Å; L362-L366 VanDerWaalsContact O-CD1 3.27Å; L362-L366 WeakPolarHBondContact O-CD1 3.39Å; L362-L366 VanDerWaalsContact O-CG 3.29Å; L362-L366 WeakPolarHBondContact O-CG 3.43Å; L362-L366 PolarHBondContact O-N 3.03Å; L362-L366 VanDerWaalsContact O-N 3.1Å; S363-L366 PolarHBondContact O-N 3.46Å; A364-L366 VanDerWaalsContact C-N 3.27Å; A364-L366 PolarHBondContact O-N 2.97Å; L366-D368 VanDerWaalsContact C-N 3.31Å; L366-D368 PolarHBondContact O-N 2.89Å; L366-L407 HydrophobicContact CD1-CB 3.65Å; L366-L407 HydrophobicContact CD1-CD1 4.06Å; L366-L407 HydrophobicContact CD1-CD2 4.25Å; L366-L407 HydrophobicContact CD1-CG 4.18Å; L366-L407 HydrophobicContact CD2-CB 4Å; L366-L407 HydrophobicContact CD2-CD1 4Å; L366-L407 HydrophobicContact CG-CB 4.48Å; L366-L407 HydrophobicContact CG-CD1 4.45Å |
| 367 | N | 89.9 | Confident | 92.3 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 38.1 | -178.3 | -61.9 | -81.5 | 0 | 0 | 0 | 111.6 | M330 Q333 S363 A364 F369 | M330-N367 HydrophobicContact CG-CB 3.75Å; M330-N367 HydrophobicContact SD-CB 3.5Å; M330-N367 VanDerWaalsContact SD-CB 3.5Å; Q333-N367 PolarHBondContact OE1-ND2 3.15Å; S363-N367 PolarHBondContact O-N 3.04Å; S363-N367 VanDerWaalsContact O-N 3.17Å; S363-N367 PolarHBondContact O-ND2 2.89Å; A364-N367 PolarHBondContact O-N 2.93Å; N367-F369 PolarHBondContact O-N 3.35Å |
| 368 | D | 87.3 | Confident | 92.2 | Very high | 113 Ų | 113 | 49.7 Ų | 49.7 | 60% | 0.604 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 20.6 | 176.6 | -80 | -44.9 | 0 | 0 | 0 | 116.6 | L366 K370 | L366-D368 VanDerWaalsContact C-N 3.31Å; L366-D368 PolarHBondContact O-N 2.89Å; D368-K370 WeakPolarHBondContact O-CG 3.31Å; D368-K370 PolarHBondContact O-N 2.88Å; D368-K370 WeakPolarHBondContact OD1-CE 3.2Å; D368-K370 IonicContact OD1-NZ 3.2Å; D368-K370 PolarHBondContact OD1-NZ 3.02Å |
| 369 | F | 87.9 | Confident | 92.2 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | trans | -70.6 | 102.3 | 179.3 | -157.6 | -100.4 | 0 | 0 | 0 | 110.2 | S324 M326 M330 A364 N367 K373 L374 L377 | S324-F369 WeakPolarHBondContact O-CZ 3.37Å; M326-F369 HydrophobicContact CB-CE2 4.43Å; M326-F369 HydrophobicContact CB-CZ 4.39Å; M330-F369 HydrophobicContact CE-CD2 3.98Å; M330-F369 HydrophobicContact CE-CE2 4.29Å; M330-F369 HydrophobicContact SD-CD2 4.25Å; A364-F369 HydrophobicContact CB-CB 3.79Å; A364-F369 HydrophobicContact CB-CD1 3.88Å; A364-F369 HydrophobicContact CB-CG 4.05Å; A364-F369 WeakPolarHBondContact O-CB 3.14Å; A364-F369 PolarHBondContact O-N 3.11Å; N367-F369 PolarHBondContact O-N 3.35Å; F369-K373 HydrophobicContact CD1-CB 4.17Å; F369-K373 HydrophobicContact CD2-CB 4.41Å; F369-K373 HydrophobicContact CE1-CB 3.73Å; F369-K373 VanDerWaalsContact CE1-O 3.24Å; F369-K373 WeakPolarHBondContact CE1-O 3.35Å; F369-K373 HydrophobicContact CE2-CB 3.98Å; F369-K373 HydrophobicContact CE2-CD 4.15Å; F369-K373 HydrophobicContact CZ-CB 3.63Å; F369-L374 HydrophobicContact CD1-CB 4.09Å; F369-L374 HydrophobicContact CD1-CD1 4.24Å; F369-L377 HydrophobicContact CD1-CD2 4.21Å; F369-L377 HydrophobicContact CE1-CB 3.81Å; F369-L377 HydrophobicContact CE1-CD2 3.98Å | ||
| 370 | K | 88.5 | Confident | 92.1 | Very high | 135 Ų | 135 | 53.7 Ų | 53.7 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | trans | -131.2 | 167.1 | -165.3 | -75.3 | 163.6 | 176.6 | 169.7 | 0 | 112.3 | D368 | D368-K370 WeakPolarHBondContact O-CG 3.31Å; D368-K370 PolarHBondContact O-N 2.88Å; D368-K370 WeakPolarHBondContact OD1-CE 3.2Å; D368-K370 IonicContact OD1-NZ 3.2Å; D368-K370 PolarHBondContact OD1-NZ 3.02Å | ||
| 371 | G | 89.7 | Confident | 92.1 | Very high | 60 Ų | 60 | 53.7 Ų | 53.7 | 62% | 0.619 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | 65.3 | -134.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | K373 L374 R375 | G371-K373 VanDerWaalsContact C-N 3.32Å; G371-K373 PolarHBondContact O-N 2.82Å; G371-L374 PolarHBondContact O-N 3.16Å; G371-R375 PolarHBondContact O-N 3.03Å |
| 372 | T | 89.8 | Confident | 92 | Very high | 124 Ų | 124 | 56 Ų | 56 | 76% | 0.761 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.5 | -37.9 | -177.5 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | R375 A376 | T372-R375 PolarHBondContact O-N 2.65Å; T372-A376 PolarHBondContact O-N 3.44Å |
| 373 | K | 91.4 | Very high | 91.9 | Very high | 92 Ų | 92 | 62.4 Ų | 62.4 | 40% | 0.4 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 178.2 | -65 | -162.9 | 168.7 | -132.1 | 0 | 111.8 | E325 F369 G371 R375 A376 L377 | E325-K373 IonicContact OE2-NZ 3.37Å; E325-K373 PolarHBondContact OE2-NZ 3.13Å; F369-K373 HydrophobicContact CD1-CB 4.17Å; F369-K373 HydrophobicContact CD2-CB 4.41Å; F369-K373 HydrophobicContact CE1-CB 3.73Å; F369-K373 VanDerWaalsContact CE1-O 3.24Å; F369-K373 WeakPolarHBondContact CE1-O 3.35Å; F369-K373 HydrophobicContact CE2-CB 3.98Å; F369-K373 HydrophobicContact CE2-CD 4.15Å; F369-K373 HydrophobicContact CZ-CB 3.63Å; G371-K373 VanDerWaalsContact C-N 3.32Å; G371-K373 PolarHBondContact O-N 2.82Å; K373-R375 VanDerWaalsContact C-N 3.27Å; K373-R375 PolarHBondContact O-N 3.24Å; K373-A376 PolarHBondContact O-N 3.32Å; K373-L377 PolarHBondContact O-N 2.92Å |
| 374 | L | 92.5 | Very high | 91.8 | Very high | 33 Ų | 33 | 68.3 Ų | 68.3 | 17% | 0.173 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -35.4 | 177.3 | -177.4 | 61.3 | 0 | 0 | 0 | 112.5 | A364 F369 G371 L377 L378 | A364-L374 HydrophobicContact CB-CD1 4.36Å; F369-L374 HydrophobicContact CD1-CB 4.09Å; F369-L374 HydrophobicContact CD1-CD1 4.24Å; G371-L374 PolarHBondContact O-N 3.16Å; L374-L377 HydrophobicContact CD1-CD2 4.45Å; L374-L378 HydrophobicContact CG-CD1 4.4Å; L374-L378 WeakPolarHBondContact O-CG 3.24Å; L374-L378 PolarHBondContact O-N 2.86Å |
| 375 | R | 92.2 | Very high | 91.6 | Very high | 177 Ų | 177 | 68.5 Ų | 68.5 | 67% | 0.668 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.3 | -48.7 | 174.4 | -173.1 | 174.1 | 179 | 171.4 | 1.1 | 111.4 | G371 T372 K373 L377 L378 D379 | G371-R375 PolarHBondContact O-N 3.03Å; T372-R375 PolarHBondContact O-N 2.65Å; K373-R375 VanDerWaalsContact C-N 3.27Å; K373-R375 PolarHBondContact O-N 3.24Å; R375-L377 VanDerWaalsContact C-N 3.29Å; R375-L377 PolarHBondContact O-N 2.88Å; R375-L378 PolarHBondContact O-N 2.93Å; R375-L378 VanDerWaalsContact O-N 3.1Å; R375-D379 WeakPolarHBondContact O-CB 3.36Å; R375-D379 PolarHBondContact O-N 3.01Å |
| 376 | A | 93.1 | Very high | 91.4 | Very high | 39 Ų | 39 | 72.6 Ų | 72.6 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.2 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T372 K373 D379 N380 | T372-A376 PolarHBondContact O-N 3.44Å; K373-A376 PolarHBondContact O-N 3.32Å; A376-D379 PolarHBondContact O-N 3.16Å; A376-N380 WeakPolarHBondContact O-CB 3.4Å; A376-N380 VanDerWaalsContact O-CG 3.3Å; A376-N380 PolarHBondContact O-N 3.07Å; A376-N380 PolarHBondContact O-ND2 3.01Å |
| 377 | L | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 173.5 | 177.2 | 66 | 0 | 0 | 0 | 112.4 | I320 S324 M326 A364 F369 K373 L374 R375 D379 N380 V381 | I320-L377 HydrophobicContact CG2-CD1 3.75Å; S324-L377 WeakPolarHBondContact OG-CA 3.46Å; M326-L377 HydrophobicContact SD-CD1 4.19Å; M326-L377 HydrophobicContact SD-CD2 4.2Å; A364-L377 HydrophobicContact CB-CD2 3.48Å; A364-L377 VanDerWaalsContact CB-CD2 3.48Å; F369-L377 HydrophobicContact CD1-CD2 4.21Å; F369-L377 HydrophobicContact CE1-CB 3.81Å; F369-L377 HydrophobicContact CE1-CD2 3.98Å; K373-L377 PolarHBondContact O-N 2.92Å; L374-L377 HydrophobicContact CD1-CD2 4.45Å; R375-L377 VanDerWaalsContact C-N 3.29Å; R375-L377 PolarHBondContact O-N 2.88Å; L377-D379 VanDerWaalsContact C-N 3.29Å; L377-D379 PolarHBondContact O-N 3.29Å; L377-N380 PolarHBondContact O-N 2.66Å; L377-V381 HydrophobicContact CD1-CG2 4.24Å; L377-V381 HydrophobicContact CG-CG2 4.47Å; L377-V381 VanDerWaalsContact O-CB 3.31Å; L377-V381 WeakPolarHBondContact O-CB 3.26Å; L377-V381 WeakPolarHBondContact O-CG2 3.35Å; L377-V381 PolarHBondContact O-N 3.38Å |
| 378 | L | 93.9 | Very high | 91.3 | Very high | 23 Ų | 23 | 76.2 Ų | 76.2 | 12% | 0.12 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 177 | -74.5 | 167.9 | 0 | 0 | 0 | 112.5 | V361 L374 R375 E382 L392 F393 | V361-L378 HydrophobicContact CG2-CD2 3.64Å; L374-L378 HydrophobicContact CG-CD1 4.4Å; L374-L378 WeakPolarHBondContact O-CG 3.24Å; L374-L378 PolarHBondContact O-N 2.86Å; R375-L378 PolarHBondContact O-N 2.93Å; R375-L378 VanDerWaalsContact O-N 3.1Å; L378-E382 WeakPolarHBondContact O-CB 3.48Å; L378-E382 PolarHBondContact O-N 3.12Å; L378-L392 HydrophobicContact CD2-CD2 3.99Å; L378-F393 HydrophobicContact CD1-CZ 4.06Å; L378-F393 HydrophobicContact CD2-CZ 4.1Å |
| 379 | D | 93.8 | Very high | 91.3 | Very high | 55 Ų | 55 | 74.6 Ų | 74.6 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.2 | -46.8 | 178.2 | -61 | -11.6 | 0 | 0 | 0 | 110.4 | R375 A376 L377 V381 E382 E383 R389 | R375-D379 WeakPolarHBondContact O-CB 3.36Å; R375-D379 PolarHBondContact O-N 3.01Å; A376-D379 PolarHBondContact O-N 3.16Å; L377-D379 VanDerWaalsContact C-N 3.29Å; L377-D379 PolarHBondContact O-N 3.29Å; D379-V381 PolarHBondContact O-N 3.48Å; D379-E382 PolarHBondContact O-N 3.43Å; D379-E383 PolarHBondContact O-N 3.03Å; D379-R389 IonicContact OD1-CZ 2.72Å; D379-R389 VanDerWaalsContact OD1-CZ 3.28Å; D379-R389 IonicContact OD1-NE 2.62Å; D379-R389 PolarHBondContact OD1-NE 3.05Å; D379-R389 IonicContact OD1-NH2 2.66Å; D379-R389 PolarHBondContact OD1-NH2 2.72Å |
| 380 | N | 94 | Very high | 91.4 | Very high | 31 Ų | 31 | 78.7 Ų | 78.7 | 17% | 0.166 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 173.8 | -73.4 | -27.4 | 0 | 0 | 0 | 112.5 | I320 D323 S324 A376 L377 R384 | I320-N380 HydrophobicContact CG2-CB 4.17Å; D323-N380 VanDerWaalsContact C-ND2 3.32Å; D323-N380 PolarHBondContact O-ND2 3.18Å; S324-N380 PolarHBondContact OG-ND2 3.09Å; A376-N380 WeakPolarHBondContact O-CB 3.4Å; A376-N380 VanDerWaalsContact O-CG 3.3Å; A376-N380 PolarHBondContact O-N 3.07Å; A376-N380 PolarHBondContact O-ND2 3.01Å; L377-N380 PolarHBondContact O-N 2.66Å; N380-R384 WeakPolarHBondContact O-CB 3.33Å; N380-R384 VanDerWaalsContact O-CG 3.24Å; N380-R384 WeakPolarHBondContact O-CG 3.45Å; N380-R384 PolarHBondContact O-N 3.12Å |
| 381 | V | 94.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 172.8 | 164.6 | 0 | 0 | 0 | 0 | 110.9 | I320 L360 L377 D379 F385 L392 | I320-V381 HydrophobicContact CG2-CG2 3.69Å; L360-V381 HydrophobicContact CD1-CG2 4.13Å; L377-V381 HydrophobicContact CD1-CG2 4.24Å; L377-V381 HydrophobicContact CG-CG2 4.47Å; L377-V381 VanDerWaalsContact O-CB 3.31Å; L377-V381 WeakPolarHBondContact O-CB 3.26Å; L377-V381 WeakPolarHBondContact O-CG2 3.35Å; L377-V381 PolarHBondContact O-N 3.38Å; D379-V381 PolarHBondContact O-N 3.48Å; V381-F385 HydrophobicContact CG1-CD2 4.11Å; V381-F385 WeakPolarHBondContact O-CB 3.03Å; V381-F385 PolarHBondContact O-N 2.84Å; V381-F385 VanDerWaalsContact O-N 3.11Å; V381-L392 HydrophobicContact CG1-CD1 4.35Å; V381-L392 HydrophobicContact CG1-CD2 3.76Å |
| 382 | E | 92.9 | Very high | 91.4 | Very high | 52 Ų | 52 | 71.9 Ų | 71.9 | 24% | 0.243 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 179.3 | -159.1 | -179.9 | -119.7 | 0 | 0 | 111.4 | L378 D379 R386 L387 R389 | L378-E382 WeakPolarHBondContact O-CB 3.48Å; L378-E382 PolarHBondContact O-N 3.12Å; D379-E382 PolarHBondContact O-N 3.43Å; E382-R386 WeakPolarHBondContact O-CA 3.47Å; E382-R386 PolarHBondContact O-N 3.47Å; E382-L387 WeakPolarHBondContact CG-O 3.19Å; E382-L387 PolarHBondContact O-N 2.9Å; E382-R389 HydrophobicContact CB-CG 4.49Å; E382-R389 VanDerWaalsContact CD-CZ 3.47Å; E382-R389 HydrophobicContact CG-CG 4.45Å; E382-R389 WeakPolarHBondContact OE1-CG 3.35Å; E382-R389 IonicContact OE1-CZ 3.28Å; E382-R389 PolarHBondContact OE1-N 2.97Å; E382-R389 VanDerWaalsContact OE1-N 3.13Å; E382-R389 IonicContact OE1-NH1 4Å; E382-R389 PolarHBondContact OE1-NH1 2.81Å; E382-R389 IonicContact OE2-CZ 2.59Å; E382-R389 IonicContact OE2-NH1 3.18Å; E382-R389 PolarHBondContact OE2-NH1 2.62Å; E382-R389 IonicContact OE2-NH2 2.67Å; E382-R389 PolarHBondContact OE2-NH2 2.71Å |
| 383 | E | 91.7 | Very high | 91.5 | Very high | 145 Ų | 145 | 70.2 Ų | 70.2 | 68% | 0.678 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.1 | -53 | -178.2 | -173.6 | -178.2 | 167.9 | 0 | 0 | 112.6 | D379 R386 | D379-E383 PolarHBondContact O-N 3.03Å; E383-R386 WeakPolarHBondContact O-CG 3.39Å; E383-R386 PolarHBondContact O-N 3.03Å |
| 384 | R | 91.2 | Very high | 91.4 | Very high | 124 Ų | 124 | 70.5 Ų | 70.5 | 47% | 0.468 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.8 | -44.5 | -174.6 | -66 | -70 | -157.6 | 174.6 | 2.5 | 111.4 | I320 D323 N380 | I320-R384 HydrophobicContact CD1-CB 3.8Å; I320-R384 HydrophobicContact CD1-CG 4.45Å; I320-R384 HydrophobicContact CG1-CB 3.58Å; I320-R384 HydrophobicContact CG1-CG 3.66Å; D323-R384 IonicContact OD1-NH2 3.1Å; D323-R384 PolarHBondContact OD1-NH2 2.97Å; D323-R384 IonicContact OD2-CZ 3.96Å; D323-R384 IonicContact OD2-NE 3.01Å; D323-R384 PolarHBondContact OD2-NE 3.23Å; D323-R384 IonicContact OD2-NH2 2.78Å; D323-R384 PolarHBondContact OD2-NH2 3.34Å; N380-R384 WeakPolarHBondContact O-CB 3.33Å; N380-R384 VanDerWaalsContact O-CG 3.24Å; N380-R384 WeakPolarHBondContact O-CG 3.45Å; N380-R384 PolarHBondContact O-N 3.12Å |
| 385 | F | 90.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 70.5 Ų | 70.5 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -81 | -23.4 | 178.1 | -70.8 | -38.4 | 0 | 0 | 0 | 113.8 | E316 M317 I320 K353 A356 L360 V381 L387 | E316-F385 HydrophobicContact CB-CD1 4.37Å; E316-F385 HydrophobicContact CB-CE1 3.62Å; E316-F385 HydrophobicContact CB-CZ 4.43Å; E316-F385 WeakPolarHBondContact OE2-CD1 3.4Å; M317-F385 HydrophobicContact CG-CZ 3.85Å; I320-F385 HydrophobicContact CD1-CD1 4.21Å; I320-F385 HydrophobicContact CD1-CD2 3.84Å; I320-F385 HydrophobicContact CD1-CE1 3.92Å; I320-F385 HydrophobicContact CD1-CE2 3.48Å; I320-F385 VanDerWaalsContact CD1-CE2 3.48Å; I320-F385 HydrophobicContact CD1-CG 4.17Å; I320-F385 HydrophobicContact CD1-CZ 3.52Å; K353-F385 HydrophobicContact CB-CB 4.23Å; K353-F385 HydrophobicContact CB-CD1 4.33Å; K353-F385 HydrophobicContact CB-CG 4.23Å; K353-F385 HydrophobicContact CD-CB 3.98Å; K353-F385 HydrophobicContact CD-CD1 3.98Å; K353-F385 HydrophobicContact CD-CG 4.29Å; K353-F385 WeakPolarHBondContact CD-O 3.28Å; K353-F385 HydrophobicContact CG-CD1 4.08Å; K353-F385 HydrophobicContact CG-CG 4.43Å; K353-F385 PolarHBondContact NZ-O 3.2Å; K353-F385 VanDerWaalsContact NZ-O 3.11Å; A356-F385 HydrophobicContact CB-CE1 4.48Å; A356-F385 HydrophobicContact CB-CE2 3.92Å; A356-F385 HydrophobicContact CB-CZ 3.67Å; L360-F385 HydrophobicContact CD1-CE2 4.41Å; V381-F385 HydrophobicContact CG1-CD2 4.11Å; V381-F385 WeakPolarHBondContact O-CB 3.03Å; V381-F385 PolarHBondContact O-N 2.84Å; V381-F385 VanDerWaalsContact O-N 3.11Å; F385-L387 HydrophobicContact CB-CD1 3.65Å; F385-L387 HydrophobicContact CB-CD2 4.42Å; F385-L387 HydrophobicContact CB-CG 3.65Å; F385-L387 HydrophobicContact CD2-CD1 4.28Å; F385-L387 HydrophobicContact CG-CD1 4.35Å |
| 386 | R | 89.1 | Confident | 91.2 | Very high | 172 Ų | 172 | 64.1 Ų | 64.1 | 65% | 0.649 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 57.3 | -174.1 | -54.7 | -178.9 | 179.3 | -170.8 | -5 | 112.3 | E382 E383 | E382-R386 WeakPolarHBondContact O-CA 3.47Å; E382-R386 PolarHBondContact O-N 3.47Å; E383-R386 WeakPolarHBondContact O-CG 3.39Å; E383-R386 PolarHBondContact O-N 3.03Å |
| 387 | L | 89.3 | Confident | 91 | Very high | 22 Ų | 22 | 66.6 Ų | 66.6 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | trans | -117.3 | 172.9 | -179.8 | -51.8 | 176.9 | 0 | 0 | 0 | 109.4 | K353 Y354 E382 F385 L392 | K353-L387 HydrophobicContact CB-CD1 4.07Å; K353-L387 HydrophobicContact CB-CD2 3.92Å; K353-L387 HydrophobicContact CB-CG 4.45Å; Y354-L387 HydrophobicContact CD1-CB 4.35Å; Y354-L387 HydrophobicContact CD1-CD1 3.8Å; Y354-L387 HydrophobicContact CD1-CD2 4.3Å; Y354-L387 HydrophobicContact CD1-CG 4.37Å; Y354-L387 HydrophobicContact CD2-CD2 4.18Å; Y354-L387 HydrophobicContact CE1-CB 3.79Å; Y354-L387 HydrophobicContact CE1-CD1 4.06Å; Y354-L387 HydrophobicContact CE1-CD2 3.95Å; Y354-L387 HydrophobicContact CE1-CG 4.13Å; Y354-L387 HydrophobicContact CE2-CD2 3.84Å; Y354-L387 HydrophobicContact CG-CD1 4.14Å; Y354-L387 HydrophobicContact CG-CD2 4.4Å; E382-L387 WeakPolarHBondContact CG-O 3.19Å; E382-L387 PolarHBondContact O-N 2.9Å; F385-L387 HydrophobicContact CB-CD1 3.65Å; F385-L387 HydrophobicContact CB-CD2 4.42Å; F385-L387 HydrophobicContact CB-CG 3.65Å; F385-L387 HydrophobicContact CD2-CD1 4.28Å; F385-L387 HydrophobicContact CG-CD1 4.35Å; L387-L392 HydrophobicContact CD1-CD1 4.23Å | ||
| 388 | W | 88.3 | Confident | 90.7 | Very high | 185 Ų | 185 | 66.6 Ų | 66.6 | 70% | 0.701 | 30% | 0.298 | S | S | * | . | trans | -99.3 | 133.3 | 166.3 | -119.6 | -73.5 | 0 | 0 | 0 | 109.9 | V390 D391 L392 | W388-V390 PolarHBondContact O-N 2.91Å; W388-D391 HydrophobicContact CB-CB 4.43Å; W388-D391 PolarHBondContact O-N 3.44Å; W388-L392 PolarHBondContact O-N 2.92Å | ||
| 389 | R | 89.1 | Confident | 90.4 | Very high | 80 Ų | 80 | 65.5 Ų | 65.5 | 30% | 0.302 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -52.3 | -38.5 | 175 | -76.7 | -175.5 | -150.8 | 71.3 | 6.5 | 113 | D379 E382 D391 L392 F393 | D379-R389 IonicContact OD1-CZ 2.72Å; D379-R389 VanDerWaalsContact OD1-CZ 3.28Å; D379-R389 IonicContact OD1-NE 2.62Å; D379-R389 PolarHBondContact OD1-NE 3.05Å; D379-R389 IonicContact OD1-NH2 2.66Å; D379-R389 PolarHBondContact OD1-NH2 2.72Å; E382-R389 HydrophobicContact CB-CG 4.49Å; E382-R389 VanDerWaalsContact CD-CZ 3.47Å; E382-R389 HydrophobicContact CG-CG 4.45Å; E382-R389 WeakPolarHBondContact OE1-CG 3.35Å; E382-R389 IonicContact OE1-CZ 3.28Å; E382-R389 PolarHBondContact OE1-N 2.97Å; E382-R389 VanDerWaalsContact OE1-N 3.13Å; E382-R389 IonicContact OE1-NH1 4Å; E382-R389 PolarHBondContact OE1-NH1 2.81Å; E382-R389 IonicContact OE2-CZ 2.59Å; E382-R389 IonicContact OE2-NH1 3.18Å; E382-R389 PolarHBondContact OE2-NH1 2.62Å; E382-R389 IonicContact OE2-NH2 2.67Å; E382-R389 PolarHBondContact OE2-NH2 2.71Å; R389-D391 VanDerWaalsContact C-N 3.34Å; R389-D391 PolarHBondContact O-N 2.91Å; R389-L392 WeakPolarHBondContact O-CB 3.17Å; R389-L392 PolarHBondContact O-N 3.12Å; R389-F393 HydrophobicContact CB-CE2 4.41Å; R389-F393 WeakPolarHBondContact O-CD2 3.34Å; R389-F393 PolarHBondContact O-N 3.35Å; R389-F393 VanDerWaalsContact O-N 3.14Å |
| 390 | V | 88.8 | Confident | 90.2 | Very high | 100 Ų | 100 | 63.2 Ų | 63.2 | 61% | 0.606 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.1 | -40.4 | 179.2 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | W388 | W388-V390 PolarHBondContact O-N 2.91Å |
| 391 | D | 88.8 | Confident | 89.9 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.1 | -36.2 | 177 | -71.8 | -37.2 | 0 | 0 | 0 | 111.4 | Y354 W388 R389 F393 K394 Y395 | Y354-D391 HydrophobicContact CD1-CB 4.46Å; Y354-D391 HydrophobicContact CE1-CB 3.57Å; W388-D391 HydrophobicContact CB-CB 4.43Å; W388-D391 PolarHBondContact O-N 3.44Å; R389-D391 VanDerWaalsContact C-N 3.34Å; R389-D391 PolarHBondContact O-N 2.91Å; D391-F393 VanDerWaalsContact C-N 3.32Å; D391-F393 PolarHBondContact O-N 3.31Å; D391-K394 WeakPolarHBondContact O-CB 3.45Å; D391-K394 PolarHBondContact O-N 3.35Å; D391-K394 VanDerWaalsContact O-N 3.08Å; D391-K394 WeakPolarHBondContact OD1-CE 3.39Å; D391-K394 IonicContact OD1-NZ 2.66Å; D391-K394 PolarHBondContact OD1-NZ 3.2Å; D391-Y395 VanDerWaalsContact O-CD2 3.26Å; D391-Y395 WeakPolarHBondContact O-CD2 3Å |
| 392 | L | 90.5 | Very high | 89.5 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.4 | -46.3 | 174 | -169.5 | 73.7 | 0 | 0 | 0 | 112.1 | Y354 V358 V361 L378 V381 L387 W388 R389 K394 Y395 E396 | Y354-L392 HydrophobicContact CD1-CD1 4.31Å; V358-L392 HydrophobicContact CG2-CD1 3.87Å; V358-L392 HydrophobicContact CG2-CG 4.1Å; V358-L392 WeakPolarHBondContact CG2-O 3.14Å; V361-L392 HydrophobicContact CG2-CD2 4.3Å; L378-L392 HydrophobicContact CD2-CD2 3.99Å; V381-L392 HydrophobicContact CG1-CD1 4.35Å; V381-L392 HydrophobicContact CG1-CD2 3.76Å; L387-L392 HydrophobicContact CD1-CD1 4.23Å; W388-L392 PolarHBondContact O-N 2.92Å; R389-L392 WeakPolarHBondContact O-CB 3.17Å; R389-L392 PolarHBondContact O-N 3.12Å; L392-K394 VanDerWaalsContact C-N 3.26Å; L392-K394 PolarHBondContact O-N 3.2Å; L392-Y395 PolarHBondContact O-N 3.07Å; L392-E396 PolarHBondContact O-N 3.37Å |
| 393 | F | 90.5 | Very high | 89.2 | Confident | 89 Ų | 89 | 62.5 Ų | 62.5 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.2 | -24.7 | 178.8 | -72.4 | -60.5 | 0 | 0 | 0 | 114.1 | L378 R389 D391 Y395 E396 | L378-F393 HydrophobicContact CD1-CZ 4.06Å; L378-F393 HydrophobicContact CD2-CZ 4.1Å; R389-F393 HydrophobicContact CB-CE2 4.41Å; R389-F393 WeakPolarHBondContact O-CD2 3.34Å; R389-F393 PolarHBondContact O-N 3.35Å; R389-F393 VanDerWaalsContact O-N 3.14Å; D391-F393 VanDerWaalsContact C-N 3.32Å; D391-F393 PolarHBondContact O-N 3.31Å; F393-Y395 PolarHBondContact O-N 3.15Å; F393-E396 WeakPolarHBondContact CD1-OE2 3.47Å; F393-E396 PolarHBondContact O-N 2.95Å |
| 394 | K | 89 | Confident | 88.9 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 43% | 0.426 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.3 | -28.5 | 172.4 | -61.8 | 173.2 | -174.4 | 167.9 | 0 | 112.2 | D391 L392 P398 | D391-K394 WeakPolarHBondContact O-CB 3.45Å; D391-K394 PolarHBondContact O-N 3.35Å; D391-K394 VanDerWaalsContact O-N 3.08Å; D391-K394 WeakPolarHBondContact OD1-CE 3.39Å; D391-K394 IonicContact OD1-NZ 2.66Å; D391-K394 PolarHBondContact OD1-NZ 3.2Å; L392-K394 VanDerWaalsContact C-N 3.26Å; L392-K394 PolarHBondContact O-N 3.2Å; K394-P398 WeakPolarHBondContact O-CD 3.35Å; K394-P398 WeakPolarHBondContact O-CG 3.26Å |
| 395 | Y | 90.5 | Very high | 88.7 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 13% | 0.125 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -89.6 | -8.7 | 178.5 | -69.3 | -90.2 | 0 | 0 | 0 | 113.7 | H227 L228 N351 Y354 L355 D391 L392 F393 P398 V399 | H227-Y395 HydrophobicContact CB-CD1 4.33Å; H227-Y395 HydrophobicContact CB-CE1 3.92Å; H227-Y395 VanDerWaalsContact O-CE1 3.31Å; H227-Y395 WeakPolarHBondContact O-CE1 3.41Å; L228-Y395 HydrophobicContact CD2-CD1 3.9Å; L228-Y395 HydrophobicContact CD2-CE1 4.31Å; N351-Y395 HydrophobicContact CB-CE1 3.96Å; Y354-Y395 AromaticContact CD1-CD2 3.86Å; Y354-Y395 HydrophobicContact CD1-CD2 3.86Å; Y354-Y395 AromaticContact CD1-CE2 3.89Å; Y354-Y395 HydrophobicContact CD1-CE2 3.89Å; Y354-Y395 AromaticContact CD2-CE2 3.95Å; Y354-Y395 HydrophobicContact CD2-CE2 3.95Å; Y354-Y395 HydrophobicContact CE1-CE2 4.45Å; Y354-Y395 HydrophobicContact CE2-CE2 4.49Å; Y354-Y395 AromaticContact CG-CD2 3.77Å; Y354-Y395 HydrophobicContact CG-CD2 3.77Å; Y354-Y395 AromaticContact CG-CE2 3.61Å; Y354-Y395 HydrophobicContact CG-CE2 3.61Å; L355-Y395 HydrophobicContact CD1-CD1 4.04Å; L355-Y395 HydrophobicContact CD1-CE1 4.31Å; D391-Y395 VanDerWaalsContact O-CD2 3.26Å; D391-Y395 WeakPolarHBondContact O-CD2 3Å; L392-Y395 PolarHBondContact O-N 3.07Å; F393-Y395 PolarHBondContact O-N 3.15Å; Y395-P398 VanDerWaalsContact C-CD 3.47Å; Y395-P398 WeakPolarHBondContact O-CD 3.34Å; Y395-V399 WeakPolarHBondContact O-CB 3.42Å; Y395-V399 WeakPolarHBondContact O-CG2 3.46Å; Y395-V399 PolarHBondContact O-N 3.05Å; Y395-V399 VanDerWaalsContact O-N 3.09Å |
| 396 | E | 90.1 | Very high | 88.4 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -62.6 | -178.3 | -175.5 | 175.6 | 159.4 | 0 | 0 | 112.5 | L362 K365 L392 F393 V399 A400 | L362-E396 HydrophobicContact CD2-CG 3.86Å; K365-E396 IonicContact NZ-OE1 2.77Å; K365-E396 PolarHBondContact NZ-OE1 3.28Å; K365-E396 IonicContact NZ-OE2 2.92Å; K365-E396 PolarHBondContact NZ-OE2 2.77Å; L392-E396 PolarHBondContact O-N 3.37Å; F393-E396 WeakPolarHBondContact CD1-OE2 3.47Å; F393-E396 PolarHBondContact O-N 2.95Å; E396-V399 PolarHBondContact O-N 3.24Å; E396-A400 PolarHBondContact O-N 3.39Å |
| 397 | L | 89.1 | Confident | 88.3 | Confident | 91 Ų | 91 | 53.7 Ų | 53.7 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.7 | -31.5 | -176.8 | 176.1 | 75.9 | 0 | 0 | 0 | 112.8 | F224 V399 A400 V401 F405 | F224-L397 HydrophobicContact CE1-CB 4.29Å; F224-L397 HydrophobicContact CE1-CD2 4.15Å; F224-L397 HydrophobicContact CE1-CG 3.8Å; F224-L397 HydrophobicContact CE2-CB 4.4Å; F224-L397 HydrophobicContact CE2-CD2 4.13Å; F224-L397 HydrophobicContact CE2-CG 4.37Å; F224-L397 HydrophobicContact CZ-CB 3.51Å; F224-L397 HydrophobicContact CZ-CD2 3.52Å; F224-L397 HydrophobicContact CZ-CG 3.36Å; L397-V399 VanDerWaalsContact C-N 3.35Å; L397-V399 PolarHBondContact O-N 2.95Å; L397-A400 PolarHBondContact O-N 3.26Å; L397-V401 HydrophobicContact CD1-CG2 4.39Å; L397-V401 HydrophobicContact CG-CG2 4.48Å; L397-V401 WeakPolarHBondContact O-CB 3.26Å; L397-V401 VanDerWaalsContact O-CG2 3.3Å; L397-V401 WeakPolarHBondContact O-CG2 3.37Å; L397-V401 PolarHBondContact O-N 3.05Å; L397-F405 HydrophobicContact CD1-CE1 3.81Å; L397-F405 HydrophobicContact CD1-CZ 3.73Å |
| 398 | P | 88.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 170.6 | -24.3 | 34.6 | 0 | 0 | 0 | 112.8 | F224 M225 L228 K394 Y395 A402 | F224-P398 HydrophobicContact CD1-CG 4.24Å; F224-P398 HydrophobicContact CD2-CG 4.29Å; F224-P398 VanDerWaalsContact CE1-CA 3.48Å; F224-P398 HydrophobicContact CE1-CB 4.02Å; F224-P398 HydrophobicContact CE1-CG 3.66Å; F224-P398 VanDerWaalsContact CE1-N 3.34Å; F224-P398 HydrophobicContact CE2-CG 3.7Å; F224-P398 HydrophobicContact CZ-CB 4.2Å; F224-P398 HydrophobicContact CZ-CG 3.36Å; M225-P398 HydrophobicContact CE-CB 4.4Å; L228-P398 VanDerWaalsContact CD1-C 3.48Å; L228-P398 HydrophobicContact CD1-CB 3.56Å; L228-P398 VanDerWaalsContact CD1-O 3.27Å; L228-P398 WeakPolarHBondContact CD1-O 3.07Å; L228-P398 HydrophobicContact CG-CB 3.74Å; K394-P398 WeakPolarHBondContact O-CD 3.35Å; K394-P398 WeakPolarHBondContact O-CG 3.26Å; Y395-P398 VanDerWaalsContact C-CD 3.47Å; Y395-P398 WeakPolarHBondContact O-CD 3.34Å; P398-A402 WeakPolarHBondContact O-CB 3.31Å; P398-A402 PolarHBondContact O-N 2.87Å |
| 399 | V | 88.7 | Confident | 88 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L228 L355 V358 L362 Y395 E396 L397 A402 L403 | L228-V399 HydrophobicContact CD2-CG2 4.31Å; L355-V399 HydrophobicContact CD2-CG2 4.44Å; L355-V399 HydrophobicContact CG-CG2 3.9Å; V358-V399 HydrophobicContact CB-CG2 4.48Å; V358-V399 HydrophobicContact CG1-CB 3.69Å; V358-V399 HydrophobicContact CG1-CG1 3.92Å; V358-V399 HydrophobicContact CG1-CG2 3.93Å; L362-V399 HydrophobicContact CD1-CB 4.31Å; L362-V399 HydrophobicContact CD1-CG1 3.82Å; Y395-V399 WeakPolarHBondContact O-CB 3.42Å; Y395-V399 WeakPolarHBondContact O-CG2 3.46Å; Y395-V399 PolarHBondContact O-N 3.05Å; Y395-V399 VanDerWaalsContact O-N 3.09Å; E396-V399 PolarHBondContact O-N 3.24Å; L397-V399 VanDerWaalsContact C-N 3.35Å; L397-V399 PolarHBondContact O-N 2.95Å; V399-A402 CarbonylContact O-C 3.6Å; V399-A402 PolarHBondContact O-N 3.33Å; V399-L403 HydrophobicContact CG1-CD1 3.91Å; V399-L403 HydrophobicContact CG1-CG 4.36Å; V399-L403 WeakPolarHBondContact O-CB 3.43Å; V399-L403 VanDerWaalsContact O-CG 3.3Å; V399-L403 WeakPolarHBondContact O-CG 3.49Å; V399-L403 PolarHBondContact O-N 3Å |
| 400 | A | 88.9 | Confident | 87.7 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 5% | 0.05 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L362 E396 L397 A402 L403 E404 F405 | L362-A400 HydrophobicContact CD2-CB 4.5Å; E396-A400 PolarHBondContact O-N 3.39Å; L397-A400 PolarHBondContact O-N 3.26Å; A400-A402 VanDerWaalsContact C-N 3.34Å; A400-L403 CarbonylContact O-C 3.5Å; A400-L403 PolarHBondContact O-N 3.18Å; A400-E404 PolarHBondContact O-N 3.49Å; A400-F405 HydrophobicContact CB-CD1 4.08Å; A400-F405 HydrophobicContact CB-CE1 3.84Å; A400-F405 PolarHBondContact O-N 3.3Å |
| 401 | V | 87.5 | Confident | 87.5 | Confident | 55 Ų | 55 | 50.5 Ų | 50.5 | 33% | 0.333 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 172.5 | 170.2 | 0 | 0 | 0 | 0 | 111 | F224 M225 L397 L403 E404 F405 | F224-V401 HydrophobicContact CE1-CG2 4.04Å; M225-V401 HydrophobicContact CE-CB 4.37Å; M225-V401 HydrophobicContact CE-CG1 3.98Å; L397-V401 HydrophobicContact CD1-CG2 4.39Å; L397-V401 HydrophobicContact CG-CG2 4.48Å; L397-V401 WeakPolarHBondContact O-CB 3.26Å; L397-V401 VanDerWaalsContact O-CG2 3.3Å; L397-V401 WeakPolarHBondContact O-CG2 3.37Å; L397-V401 PolarHBondContact O-N 3.05Å; V401-L403 PolarHBondContact O-N 3.43Å; V401-E404 WeakPolarHBondContact O-CA 3.15Å; V401-E404 PolarHBondContact O-N 3.16Å; V401-F405 HydrophobicContact CB-CE2 4.35Å; V401-F405 HydrophobicContact CG2-CE2 3.65Å; V401-F405 HydrophobicContact CG2-CZ 3.56Å |
| 402 | A | 86.1 | Confident | 87.1 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.4 | -19.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L228 K344 L346 P398 V399 A400 E404 | L228-A402 HydrophobicContact CD1-CB 3.8Å; K344-A402 WeakPolarHBondContact CD-O 3.46Å; K344-A402 WeakPolarHBondContact CE-O 3.47Å; K344-A402 PolarHBondContact NZ-O 3.28Å; L346-A402 HydrophobicContact CD1-CB 3.56Å; P398-A402 WeakPolarHBondContact O-CB 3.31Å; P398-A402 PolarHBondContact O-N 2.87Å; V399-A402 CarbonylContact O-C 3.6Å; V399-A402 PolarHBondContact O-N 3.33Å; A400-A402 VanDerWaalsContact C-N 3.34Å; A402-E404 VanDerWaalsContact C-N 3.29Å |
| 403 | L | 86.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 10.3 | 167.8 | -66.5 | 169.4 | 0 | 0 | 0 | 112.2 | Y337 Q340 L362 V399 A400 V401 F405 A406 L407 | Y337-L403 HydrophobicContact CD1-CD1 3.88Å; Y337-L403 HydrophobicContact CD1-CD2 4.43Å; Y337-L403 HydrophobicContact CG-CD1 3.89Å; Q340-L403 HydrophobicContact CB-CD2 3.76Å; L362-L403 HydrophobicContact CD1-CD1 4.42Å; V399-L403 HydrophobicContact CG1-CD1 3.91Å; V399-L403 HydrophobicContact CG1-CG 4.36Å; V399-L403 WeakPolarHBondContact O-CB 3.43Å; V399-L403 VanDerWaalsContact O-CG 3.3Å; V399-L403 WeakPolarHBondContact O-CG 3.49Å; V399-L403 PolarHBondContact O-N 3Å; A400-L403 CarbonylContact O-C 3.5Å; A400-L403 PolarHBondContact O-N 3.18Å; V401-L403 PolarHBondContact O-N 3.43Å; L403-F405 PolarHBondContact O-N 3.14Å; L403-F405 VanDerWaalsContact O-N 3.13Å; L403-A406 WeakPolarHBondContact O-CB 3.07Å; L403-A406 PolarHBondContact O-N 3.49Å; L403-L407 HydrophobicContact CD1-CD2 4Å |
| 404 | E | 86 | Confident | 86.3 | Confident | 95 Ų | 95 | 51 Ų | 51 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 26.3 | -177.1 | -69.9 | 139.1 | -141.4 | 0 | 0 | 113.5 | K344 A400 V401 A402 A406 | K344-E404 IonicContact NZ-OE1 2.7Å; K344-E404 PolarHBondContact NZ-OE1 3.06Å; K344-E404 IonicContact NZ-OE2 3.92Å; A400-E404 PolarHBondContact O-N 3.49Å; V401-E404 WeakPolarHBondContact O-CA 3.15Å; V401-E404 PolarHBondContact O-N 3.16Å; A402-E404 VanDerWaalsContact C-N 3.29Å; E404-A406 PolarHBondContact O-N 3.08Å |
| 405 | F | 87.1 | Confident | 86 | Confident | 119 Ų | 119 | 48.3 Ų | 48.3 | 52% | 0.522 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 13.1 | -168.7 | -62.7 | -85.4 | 0 | 0 | 0 | 115 | L397 A400 V401 L403 L407 | L397-F405 HydrophobicContact CD1-CE1 3.81Å; L397-F405 HydrophobicContact CD1-CZ 3.73Å; A400-F405 HydrophobicContact CB-CD1 4.08Å; A400-F405 HydrophobicContact CB-CE1 3.84Å; A400-F405 PolarHBondContact O-N 3.3Å; V401-F405 HydrophobicContact CB-CE2 4.35Å; V401-F405 HydrophobicContact CG2-CE2 3.65Å; V401-F405 HydrophobicContact CG2-CZ 3.56Å; L403-F405 PolarHBondContact O-N 3.14Å; L403-F405 VanDerWaalsContact O-N 3.13Å; F405-L407 PolarHBondContact O-N 3.36Å |
| 406 | A | 84.8 | Confident | 85.6 | Confident | 22 Ų | 22 | 47.8 Ų | 47.8 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | trans | -86.1 | 62.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F253 L403 E404 | F253-A406 HydrophobicContact CD2-CB 3.89Å; F253-A406 HydrophobicContact CE1-CB 4.02Å; F253-A406 HydrophobicContact CE2-CB 3.14Å; F253-A406 HydrophobicContact CZ-CB 3.23Å; L403-A406 WeakPolarHBondContact O-CB 3.07Å; L403-A406 PolarHBondContact O-N 3.49Å; E404-A406 PolarHBondContact O-N 3.08Å | ||
| 407 | L | 86.9 | Confident | 85.5 | Confident | 24 Ų | 24 | 46.2 Ų | 46.2 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | trans | -81.2 | -22.8 | -168.3 | -65.9 | 171.6 | 0 | 0 | 0 | 112.9 | Q333 Y337 L366 L403 F405 L409 | Q333-L407 PolarHBondContact NE2-O 3.48Å; Y337-L407 HydrophobicContact CE1-CD2 3.98Å; Y337-L407 HydrophobicContact CE2-CD2 4.29Å; Y337-L407 PolarHBondContact OH-O 2.92Å; L366-L407 HydrophobicContact CD1-CB 3.65Å; L366-L407 HydrophobicContact CD1-CD1 4.06Å; L366-L407 HydrophobicContact CD1-CD2 4.25Å; L366-L407 HydrophobicContact CD1-CG 4.18Å; L366-L407 HydrophobicContact CD2-CB 4Å; L366-L407 HydrophobicContact CD2-CD1 4Å; L366-L407 HydrophobicContact CG-CB 4.48Å; L366-L407 HydrophobicContact CG-CD1 4.45Å; L403-L407 HydrophobicContact CD1-CD2 4Å; F405-L407 PolarHBondContact O-N 3.36Å; L407-L409 PolarHBondContact O-N 3.26Å | ||
| 408 | H | 87.6 | Confident | 85.4 | Confident | 157 Ų | 157 | 46.7 Ų | 46.7 | 73% | 0.727 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -82.2 | 94.9 | 170.1 | -66.1 | -71.4 | 0 | 0 | 0 | 109.7 | ||
| 409 | L | 83.1 | Confident | 85.3 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | trans | -80 | 148.2 | 178.7 | -60.3 | 172.8 | 0 | 0 | 0 | 111 | F253 Q333 Y337 Q340 L407 I414 | F253-L409 HydrophobicContact CZ-CD2 4.32Å; Q333-L409 HydrophobicContact CG-CD1 4.29Å; Y337-L409 HydrophobicContact CD1-CD1 3.91Å; Y337-L409 HydrophobicContact CD1-CG 4.49Å; Y337-L409 HydrophobicContact CE1-CD1 3.72Å; Y337-L409 HydrophobicContact CE1-CD2 4.41Å; Y337-L409 HydrophobicContact CE1-CG 3.96Å; Q340-L409 VanDerWaalsContact NE2-CD2 3.32Å; L407-L409 PolarHBondContact O-N 3.26Å; L409-I414 HydrophobicContact CB-CD1 4.16Å; L409-I414 HydrophobicContact CB-CG1 4.05Å | ||
| 410 | P | 83.6 | Confident | 85 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 28% | 0.279 | 29% | 0.293 | S | S | . | . | trans | -55.8 | 136.4 | 171.8 | -23.9 | 33.7 | 0 | 0 | 0 | 111.1 | V412 V413 | P410-V412 PolarHBondContact O-N 2.76Å; P410-V413 HydrophobicContact CB-CG2 4.32Å; P410-V413 HydrophobicContact CG-CG2 4.43Å; P410-V413 PolarHBondContact O-N 3.48Å | ||
| 411 | P | 83.6 | Confident | 84.8 | Confident | 108 Ų | 108 | 55 Ų | 55 | 70% | 0.701 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -54.7 | -30.6 | -177.8 | -29.3 | 35.8 | 0 | 0 | 0 | 114.1 | V413 I414 A415 | P411-V413 VanDerWaalsContact C-N 3.32Å; P411-V413 PolarHBondContact O-N 3.34Å; P411-I414 PolarHBondContact O-N 2.72Å; P411-A415 WeakPolarHBondContact O-CB 3.43Å; P411-A415 PolarHBondContact O-N 2.73Å |
| 412 | V | 81.1 | Confident | 84.6 | Confident | 96 Ų | 96 | 54.3 Ų | 54.3 | 58% | 0.582 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -58.9 | -40.4 | 176.5 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | P410 A416 | P410-V412 PolarHBondContact O-N 2.76Å; V412-A416 PolarHBondContact O-N 2.84Å |
| 413 | V | 79.3 | Confident | 84.3 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 11% | 0.109 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.7 | -45.7 | 179.6 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | W256 P410 P411 A416 H417 | W256-V413 HydrophobicContact CD2-CG2 3.99Å; W256-V413 HydrophobicContact CE3-CG2 3.79Å; W256-V413 HydrophobicContact CH2-CG1 4.11Å; W256-V413 HydrophobicContact CH2-CG2 3.99Å; W256-V413 HydrophobicContact CZ2-CG1 4.45Å; W256-V413 HydrophobicContact CZ2-CG2 4.17Å; W256-V413 HydrophobicContact CZ3-CG2 3.79Å; P410-V413 HydrophobicContact CB-CG2 4.32Å; P410-V413 HydrophobicContact CG-CG2 4.43Å; P410-V413 PolarHBondContact O-N 3.48Å; P411-V413 VanDerWaalsContact C-N 3.32Å; P411-V413 PolarHBondContact O-N 3.34Å; V413-A416 PolarHBondContact O-N 2.86Å; V413-H417 PolarHBondContact O-CD2 3.03Å |
| 414 | I | 85.5 | Confident | 83.4 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 19% | 0.19 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 177.8 | -55.9 | 176.9 | 0 | 0 | 0 | 110.3 | A332 Q333 L409 P411 A416 H417 Y418 | A332-I414 HydrophobicContact CB-CG2 3.8Å; Q333-I414 HydrophobicContact CB-CD1 4.4Å; Q333-I414 HydrophobicContact CG-CD1 4.31Å; L409-I414 HydrophobicContact CB-CD1 4.16Å; L409-I414 HydrophobicContact CB-CG1 4.05Å; P411-I414 PolarHBondContact O-N 2.72Å; I414-A416 VanDerWaalsContact C-N 3.31Å; I414-A416 PolarHBondContact O-N 3.07Å; I414-H417 PolarHBondContact O-N 3.06Å; I414-Y418 WeakPolarHBondContact O-CB 3.49Å; I414-Y418 PolarHBondContact O-N 3.18Å |
| 415 | A | 82.9 | Confident | 81.9 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 35% | 0.347 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.4 | -38.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P411 Y418 Q419 | P411-A415 WeakPolarHBondContact O-CB 3.43Å; P411-A415 PolarHBondContact O-N 2.73Å; A415-Y418 PolarHBondContact O-N 3.44Å; A415-Q419 WeakPolarHBondContact O-CB 3.46Å; A415-Q419 VanDerWaalsContact O-CG 3.29Å; A415-Q419 WeakPolarHBondContact O-CG 3.18Å; A415-Q419 PolarHBondContact O-N 3.35Å |
| 416 | A | 82.5 | Confident | 81.7 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 17% | 0.165 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L264 V412 V413 I414 K420 | L264-A416 HydrophobicContact CD2-CB 3.62Å; V412-A416 PolarHBondContact O-N 2.84Å; V413-A416 PolarHBondContact O-N 2.86Å; I414-A416 VanDerWaalsContact C-N 3.31Å; I414-A416 PolarHBondContact O-N 3.07Å; A416-K420 PolarHBondContact O-N 3.34Å; A416-K420 VanDerWaalsContact O-N 3.12Å |
| 417 | H | 86.6 | Confident | 81.5 | Confident | 12 Ų | 12 | 69.5 Ų | 69.5 | 6% | 0.056 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.4 | -36.5 | 176 | -68.9 | -69.5 | 0 | 0 | 0 | 112 | S266 A332 S336 D339 V413 I414 K420 L421 | S266-H417 PolarHBondContact OG-CE1 3.33Å; S266-H417 VanDerWaalsContact OG-CE1 3.29Å; S266-H417 PolarHBondContact OG-NE2 2.84Å; A332-H417 HydrophobicContact CB-CB 3.98Å; S336-H417 PolarHBondContact OG-CD2 3.27Å; D339-H417 IonicContact OD2-CE1 3.37Å; D339-H417 PolarHBondContact OD2-CE1 2.84Å; V413-H417 PolarHBondContact O-CD2 3.03Å; I414-H417 PolarHBondContact O-N 3.06Å; H417-K420 PolarHBondContact O-N 3.27Å; H417-L421 WeakPolarHBondContact O-CB 3.27Å; H417-L421 WeakPolarHBondContact O-CD1 3.44Å; H417-L421 WeakPolarHBondContact O-CG 3.25Å; H417-L421 PolarHBondContact O-N 3.29Å |
| 418 | Y | 88.1 | Confident | 81.2 | Confident | 100 Ų | 100 | 72 Ų | 72 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.8 | -49 | 175.9 | -179.6 | -86.6 | 0 | 0 | 0 | 111.6 | L328 A329 I414 A415 K420 L421 A422 | L328-Y418 HydrophobicContact CB-CD2 4.04Å; L328-Y418 HydrophobicContact CB-CE2 3.66Å; A329-Y418 HydrophobicContact CB-CD2 4.47Å; I414-Y418 WeakPolarHBondContact O-CB 3.49Å; I414-Y418 PolarHBondContact O-N 3.18Å; A415-Y418 PolarHBondContact O-N 3.44Å; Y418-K420 VanDerWaalsContact C-N 3.33Å; Y418-K420 PolarHBondContact O-N 2.88Å; Y418-L421 PolarHBondContact O-N 3.44Å; Y418-A422 WeakPolarHBondContact O-CB 3.3Å; Y418-A422 PolarHBondContact O-N 3.25Å |
| 419 | Q | 86.2 | Confident | 80.8 | Confident | 119 Ų | 119 | 67 Ų | 67 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -56 | -49 | 175.4 | -77.4 | 175.1 | -11.9 | 0 | 0 | 110.5 | A415 L421 A422 W423 | A415-Q419 WeakPolarHBondContact O-CB 3.46Å; A415-Q419 VanDerWaalsContact O-CG 3.29Å; A415-Q419 WeakPolarHBondContact O-CG 3.18Å; A415-Q419 PolarHBondContact O-N 3.35Å; Q419-L421 PolarHBondContact O-N 2.66Å; Q419-A422 WeakPolarHBondContact O-CB 3.45Å; Q419-A422 PolarHBondContact O-N 2.98Å; Q419-W423 PolarHBondContact O-N 2.85Å |
| 420 | K | 81 | Confident | 80.7 | Confident | 48 Ų | 48 | 70.4 Ų | 70.4 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.5 | -48.3 | 177.3 | -179.6 | 165.4 | -179.1 | 171.8 | 0 | 112.6 | D270 A416 H417 Y418 A422 W423 E424 | D270-K420 VanDerWaalsContact CG-NZ 3.26Å; D270-K420 IonicContact OD2-NZ 3Å; D270-K420 PolarHBondContact OD2-NZ 3.28Å; A416-K420 PolarHBondContact O-N 3.34Å; A416-K420 VanDerWaalsContact O-N 3.12Å; H417-K420 PolarHBondContact O-N 3.27Å; Y418-K420 VanDerWaalsContact C-N 3.33Å; Y418-K420 PolarHBondContact O-N 2.88Å; K420-A422 PolarHBondContact O-N 3.2Å; K420-W423 PolarHBondContact O-N 3.05Å; K420-E424 WeakPolarHBondContact CE-OE1 3.13Å; K420-E424 HydrophobicContact CG-CG 4.48Å; K420-E424 IonicContact NZ-OE1 3.59Å; K420-E424 WeakPolarHBondContact O-CG 3.35Å; K420-E424 PolarHBondContact O-N 3.08Å |
| 421 | L | 85.2 | Confident | 80.5 | Confident | 14 Ų | 14 | 72.3 Ų | 72.3 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.9 | -33.1 | 178 | -71.3 | 165.7 | 0 | 0 | 0 | 112.5 | R318 L331 A332 H417 Y418 Q419 S425 | R318-L421 HydrophobicContact CG-CD2 4.47Å; L331-L421 HydrophobicContact CB-CD1 4.27Å; L331-L421 HydrophobicContact CD2-CD1 3.95Å; L331-L421 HydrophobicContact CD2-CD2 3.86Å; L331-L421 HydrophobicContact CD2-CG 4.49Å; L331-L421 HydrophobicContact CG-CD1 3.76Å; L331-L421 HydrophobicContact CG-CD2 4.34Å; A332-L421 HydrophobicContact CB-CD1 3.98Å; H417-L421 WeakPolarHBondContact O-CB 3.27Å; H417-L421 WeakPolarHBondContact O-CD1 3.44Å; H417-L421 WeakPolarHBondContact O-CG 3.25Å; H417-L421 PolarHBondContact O-N 3.29Å; Y418-L421 PolarHBondContact O-N 3.44Å; Q419-L421 PolarHBondContact O-N 2.66Å; L421-S425 PolarHBondContact O-OG 3.47Å |
| 422 | A | 83.8 | Confident | 80.3 | Confident | 40 Ų | 40 | 69.7 Ų | 69.7 | 33% | 0.331 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.5 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y418 Q419 K420 E424 S425 | Y418-A422 WeakPolarHBondContact O-CB 3.3Å; Y418-A422 PolarHBondContact O-N 3.25Å; Q419-A422 WeakPolarHBondContact O-CB 3.45Å; Q419-A422 PolarHBondContact O-N 2.98Å; K420-A422 PolarHBondContact O-N 3.2Å; A422-E424 VanDerWaalsContact C-N 3.33Å; A422-E424 PolarHBondContact O-N 3.38Å; A422-S425 WeakPolarHBondContact O-CB 3.48Å; A422-S425 PolarHBondContact O-N 2.95Å |
| 423 | W | 79.1 | Confident | 80.2 | Confident | 222 Ų | 222 | 67.7 Ų | 67.7 | 84% | 0.841 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.1 | -31.3 | 174.9 | -75.1 | 114.3 | 0 | 0 | 0 | 113.5 | Q419 K420 S425 | Q419-W423 PolarHBondContact O-N 2.85Å; K420-W423 PolarHBondContact O-N 3.05Å; W423-S425 VanDerWaalsContact C-N 3.27Å; W423-S425 PolarHBondContact O-N 3.4Å |
| 424 | E | 68 | Low | 80.3 | Confident | 87 Ų | 87 | 71.8 Ų | 71.8 | 41% | 0.407 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 4.5 | 174.9 | -62.7 | 179.3 | -175.4 | 0 | 0 | 113.7 | R318 K420 A422 | R318-E424 VanDerWaalsContact CZ-O 3.25Å; R318-E424 IonicContact CZ-OE2 2.73Å; R318-E424 PolarHBondContact NH1-O 2.95Å; R318-E424 IonicContact NH1-OE2 3.98Å; R318-E424 PolarHBondContact NH1-OE2 3.06Å; R318-E424 PolarHBondContact NH2-O 2.96Å; K420-E424 WeakPolarHBondContact CE-OE1 3.13Å; K420-E424 HydrophobicContact CG-CG 4.48Å; K420-E424 IonicContact NZ-OE1 3.59Å; K420-E424 WeakPolarHBondContact O-CG 3.35Å; K420-E424 PolarHBondContact O-N 3.08Å; A422-E424 VanDerWaalsContact C-N 3.33Å; A422-E424 PolarHBondContact O-N 3.38Å |
| 425 | S | 54.9 | Low | 79.8 | Confident | 121 Ų | 121 | 75 Ų | 75 | 85% | 0.846 | 38% | 0.384 | S | S | * | . | trans | -95.2 | 0 | -177.8 | -63.9 | 0 | 0 | 0 | 0 | 113 | R318 L421 A422 W423 | R318-S425 PolarHBondContact NH2-OG 3.37Å; L421-S425 PolarHBondContact O-OG 3.47Å; A422-S425 WeakPolarHBondContact O-CB 3.48Å; A422-S425 PolarHBondContact O-N 2.95Å; W423-S425 VanDerWaalsContact C-N 3.27Å; W423-S425 PolarHBondContact O-N 3.4Å |
Retrieved 425 of 425 residues in 209.8 ms
(Link to these results)