| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32 | Very low | 31.9 | Very low | 249 Ų | 249 | 135 Ų | 135 | 100% | 1.227 | 78% | 0.781 | S | S | * | * | 0 | 95.9 | 0 | -155 | 174.9 | -160.9 | 0 | 0 | 106.6 | |||||
| 2 | V | 24.6 | Very low | 32.5 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -112.7 | 114.2 | -175 | -179.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 3 | S | 23.3 | Very low | 33.3 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -79.5 | 120.5 | 178.7 | 63 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 4 | V | 29 | Very low | 34 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | -101.5 | 108.6 | 159.7 | -177.2 | 0 | 0 | 0 | 0 | 106.3 | S6 | V4-S6 PolarHBondContact O-N 2.8Š| ||
| 5 | K | 30.3 | Very low | 34.6 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 83% | 0.83 | 74% | 0.743 | S | S | * | * | trans | -58.9 | 119.6 | 170.2 | -96.7 | 175.3 | 170 | 178 | 0 | 108.6 | ||||
| 6 | S | 27.5 | Very low | 35.3 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | -72.2 | 114.9 | 169 | 50.2 | 0 | 0 | 0 | 0 | 110 | V4 | V4-S6 PolarHBondContact O-N 2.8Š| ||
| 7 | N | 31.6 | Very low | 36.1 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | -85.7 | 130.1 | 163.4 | -89.4 | 15.7 | 0 | 0 | 0 | 110 | E11 | N7-E11 PolarHBondContact ND2-OE2 3.46Š| ||
| 8 | S | 37.2 | Very low | 36.8 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | trans | -70.9 | 155 | -172.7 | 47.3 | 0 | 0 | 0 | 0 | 113.9 | A10 E11 | S8-A10 PolarHBondContact O-N 3.05Å; S8-E11 PolarHBondContact O-N 3.28Å | ||
| 9 | V | 39.6 | Very low | 37.4 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -55.6 | -1.9 | 177.8 | 177.1 | 0 | 0 | 0 | 0 | 115 | ||
| 10 | A | 37.3 | Very low | 38.2 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -80.9 | -6.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S8 | S8-A10 PolarHBondContact O-N 3.05Š|
| 11 | E | 38.3 | Very low | 38.8 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 59% | 0.593 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -96.8 | 8.2 | 177.4 | -73.6 | -178.6 | 153.2 | 0 | 0 | 113.9 | N7 S8 | N7-E11 PolarHBondContact ND2-OE2 3.46Å; S8-E11 PolarHBondContact O-N 3.28Å |
| 12 | R | 40 | Very low | 39.4 | Very low | 215 Ų | 215 | 130 Ų | 130 | 81% | 0.811 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -101.5 | -12.9 | -180 | -86.7 | -173.3 | 176.3 | 175 | 0.1 | 115.8 | ||
| 13 | D | 41.7 | Very low | 40.3 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 65% | 0.647 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -97.4 | -12.3 | -177.7 | -76 | -30.5 | 0 | 0 | 0 | 113.9 | ||
| 14 | S | 43.4 | Very low | 41.1 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 49% | 0.49 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -78.5 | -16.6 | 178.7 | 49.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 15 | D | 43.3 | Very low | 41.7 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 60% | 0.599 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -83.6 | -16.7 | 178.7 | -77.9 | -10.4 | 0 | 0 | 0 | 113.3 | Q19 | D15-Q19 PolarHBondContact O-N 3.24Å |
| 16 | K | 46.1 | Very low | 42 | Very low | 151 Ų | 151 | 125.2 Ų | 125.2 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.9 | -38.1 | 177.5 | -102 | -177.2 | 175 | 179.3 | 0 | 112.4 | E18 Q19 E20 | K16-E18 VanDerWaalsContact C-N 3.34Å; K16-E18 PolarHBondContact O-N 3.15Å; K16-Q19 PolarHBondContact O-N 3.1Å; K16-E20 PolarHBondContact O-N 3.38Å |
| 17 | D | 48.6 | Very low | 42.6 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 55% | 0.551 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.6 | -28.7 | -179.9 | -76.2 | -5.5 | 0 | 0 | 0 | 112.6 | K21 | D17-K21 WeakPolarHBondContact O-CB 3.4Å; D17-K21 VanDerWaalsContact O-CG 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.21Å; D17-K21 PolarHBondContact O-N 3.03Å |
| 18 | E | 48.7 | Very low | 42.8 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 65% | 0.654 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.8 | -33.2 | 173.4 | -67.9 | -155.4 | 156.4 | 0 | 0 | 112.9 | K16 K21 F22 | K16-E18 VanDerWaalsContact C-N 3.34Å; K16-E18 PolarHBondContact O-N 3.15Å; E18-K21 PolarHBondContact O-N 3.17Å; E18-F22 PolarHBondContact O-N 3.37Å |
| 19 | Q | 47.9 | Very low | 42.6 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 59% | 0.593 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.3 | -34.5 | 173.8 | -81.3 | -169.2 | 1.1 | 0 | 0 | 113.3 | D15 K16 F22 R23 | D15-Q19 PolarHBondContact O-N 3.24Å; K16-Q19 PolarHBondContact O-N 3.1Å; Q19-F22 PolarHBondContact O-N 3.33Å; Q19-R23 PolarHBondContact O-N 2.72Å; Q19-R23 VanDerWaalsContact O-N 3.09Å |
| 20 | E | 53.7 | Low | 42.4 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 67% | 0.668 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.3 | -35.7 | 172.9 | -80.7 | -169.9 | 165.2 | 0 | 0 | 112.3 | K16 F22 R23 G24 | K16-E20 PolarHBondContact O-N 3.38Å; E20-F22 VanDerWaalsContact C-N 3.32Å; E20-F22 PolarHBondContact O-N 2.92Å; E20-R23 PolarHBondContact O-N 3.01Å; E20-G24 PolarHBondContact O-N 3.41Å |
| 21 | K | 50.1 | Low | 42 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 70% | 0.704 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -63.4 | -35.6 | 171.2 | -76.9 | 174.3 | -176.1 | 172.6 | 0 | 112.6 | D17 E18 A25 | D17-K21 WeakPolarHBondContact O-CB 3.4Å; D17-K21 VanDerWaalsContact O-CG 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.21Å; D17-K21 PolarHBondContact O-N 3.03Å; E18-K21 PolarHBondContact O-N 3.17Å; K21-A25 PolarHBondContact O-N 3.09Å |
| 22 | F | 45.1 | Very low | 41.5 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 66% | 0.662 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.5 | -31.7 | 173.9 | -113 | -83.5 | 0 | 0 | 0 | 113.5 | E18 Q19 E20 | E18-F22 PolarHBondContact O-N 3.37Å; Q19-F22 PolarHBondContact O-N 3.33Å; E20-F22 VanDerWaalsContact C-N 3.32Å; E20-F22 PolarHBondContact O-N 2.92Å |
| 23 | R | 43.1 | Very low | 40.8 | Very low | 197 Ų | 197 | 132.7 Ų | 132.7 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76.5 | -29.6 | 174.5 | -74.6 | -179.1 | -178.9 | 178.2 | 2.5 | 113 | Q19 E20 | Q19-R23 PolarHBondContact O-N 2.72Å; Q19-R23 VanDerWaalsContact O-N 3.09Å; E20-R23 PolarHBondContact O-N 3.01Å |
| 24 | G | 40.8 | Very low | 40.1 | Very low | 37 Ų | 37 | 133.1 Ų | 133.1 | 38% | 0.381 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -73.6 | -23.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E20 | E20-G24 PolarHBondContact O-N 3.41Å |
| 25 | A | 40.6 | Very low | 39.3 | Very low | 61 Ų | 61 | 136.8 Ų | 136.8 | 50% | 0.504 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -75.6 | -28 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K21 A27 | K21-A25 PolarHBondContact O-N 3.09Å; A25-A27 VanDerWaalsContact C-N 3.34Å |
| 26 | F | 37.8 | Very low | 38.7 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -1.6 | 175.3 | -80.7 | -82.9 | 0 | 0 | 0 | 114.2 | ||
| 27 | A | 39 | Very low | 37.7 | Very low | 83 Ų | 83 | 142.3 Ų | 142.3 | 69% | 0.686 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 5.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A25 | A25-A27 VanDerWaalsContact C-N 3.34Š|
| 28 | K | 37.4 | Very low | 36.7 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -124 | 7.8 | -176.4 | -79.4 | -173 | 176.3 | -178.5 | 0 | 115.3 | ||
| 29 | E | 32.9 | Very low | 35.5 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -105.1 | 118.9 | 169.9 | -73.4 | -172.6 | 166.3 | 0 | 0 | 110.2 | ||
| 30 | P | 34.1 | Very low | 34.4 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -78.3 | 140 | -178.1 | 31.9 | -31.8 | 0 | 0 | 0 | 110.9 | D32 | P30-D32 PolarHBondContact O-N 2.71Š| ||
| 31 | F | 28.8 | Very low | 32.9 | Very low | 176 Ų | 176 | 143.5 Ų | 143.5 | 77% | 0.772 | 74% | 0.744 | S | S | * | * | trans | -56.4 | 121.3 | 168.5 | -79.7 | -98.9 | 0 | 0 | 0 | 111.6 | F33 | F31-F33 HydrophobicContact CB-CD2 4.39Å; F31-F33 AromaticContact CD1-CD2 3.71Å; F31-F33 HydrophobicContact CD1-CD2 3.71Å; F31-F33 AromaticContact CD1-CE2 3.65Å; F31-F33 HydrophobicContact CD1-CE2 3.65Å; F31-F33 HydrophobicContact CE1-CD2 4.48Å; F31-F33 AromaticContact CE1-CE2 3.97Å; F31-F33 HydrophobicContact CE1-CE2 3.97Å; F31-F33 HydrophobicContact CG-CD2 4.47Å | ||
| 32 | D | 27.7 | Very low | 31.8 | Very low | 167 Ų | 167 | 141 Ų | 141 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -98.4 | 83.2 | 156.2 | -94.5 | -22.2 | 0 | 0 | 0 | 109.3 | P30 | P30-D32 PolarHBondContact O-N 2.71Š| ||
| 33 | F | 25.8 | Very low | 31 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 62% | 0.618 | 75% | 0.749 | S | S | * | * | trans | -79.4 | 122.8 | 154.5 | -96 | -89.8 | 0 | 0 | 0 | 107.9 | F31 L35 | F31-F33 HydrophobicContact CB-CD2 4.39Å; F31-F33 AromaticContact CD1-CD2 3.71Å; F31-F33 HydrophobicContact CD1-CD2 3.71Å; F31-F33 AromaticContact CD1-CE2 3.65Å; F31-F33 HydrophobicContact CD1-CE2 3.65Å; F31-F33 HydrophobicContact CE1-CD2 4.48Å; F31-F33 AromaticContact CE1-CE2 3.97Å; F31-F33 HydrophobicContact CE1-CE2 3.97Å; F31-F33 HydrophobicContact CG-CD2 4.47Å; F33-L35 HydrophobicContact CB-CD1 4.35Å; F33-L35 HydrophobicContact CB-CG 4.4Å; F33-L35 PolarHBondContact O-N 3.47Å | ||
| 34 | P | 28 | Very low | 30 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | -77.9 | 78.8 | 164.1 | 30.8 | -29 | 0 | 0 | 0 | 109 | K36 | P34-K36 PolarHBondContact O-N 3.16Š| ||
| 35 | L | 25.8 | Very low | 29.3 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -83.8 | 81.7 | 163.6 | -86.5 | 162.6 | 0 | 0 | 0 | 109.2 | F33 | F33-L35 HydrophobicContact CB-CD1 4.35Å; F33-L35 HydrophobicContact CB-CG 4.4Å; F33-L35 PolarHBondContact O-N 3.47Å | ||
| 36 | K | 30.6 | Very low | 28.6 | Very low | 204 Ų | 204 | 145.7 Ų | 145.7 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -142.2 | 100.6 | 152.6 | -77.6 | -164.8 | 178.7 | 177.7 | 0 | 111.1 | P34 | P34-K36 PolarHBondContact O-N 3.16Š| ||
| 37 | H | 26 | Very low | 27.9 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -46.9 | 175.7 | 148.7 | -110.1 | -77.9 | 0 | 0 | 0 | 112.3 | ||||
| 38 | P | 27.2 | Very low | 27.1 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -140.2 | 158.9 | -5.6 | 36 | -17 | 0 | 0 | 0 | 114.7 | ||||
| 39 | A | 23.6 | Very low | 26.4 | Very low | 94 Ų | 94 | 147.8 Ų | 147.8 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -160.7 | 126.8 | 145.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 40 | L | 24 | Very low | 25.9 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | 84.2 | 69.2 | 169.1 | -49.5 | 174.4 | 0 | 0 | 0 | 116.8 | ||||
| 41 | L | 23 | Very low | 25.4 | Very low | 163 Ų | 163 | 146 Ų | 146 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -104.8 | 140.5 | 132 | -77.3 | 167.2 | 0 | 0 | 0 | 107.2 | ||||
| 42 | P | 26.3 | Very low | 25.1 | Very low | 111 Ų | 111 | 144 Ų | 144 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | trans | -104 | 117.8 | 142.9 | 12.6 | 5.3 | 0 | 0 | 0 | 109.2 | ||||
| 43 | E | 27.6 | Very low | 24.8 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 67.6 | 107.4 | 136.3 | -60.3 | -178.8 | 167.4 | 0 | 0 | 118.9 | ||||
| 44 | M | 22.3 | Very low | 24.7 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | 66.8 | 121.5 | 110 | -59 | -162.6 | -50.5 | 0 | 0 | 112.9 | |||||
| 45 | V | 26.3 | Very low | 24.4 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | -163 | 136.6 | 66.6 | 168.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 46 | A | 26 | Very low | 24.2 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | 17.3 | 138.5 | 150 | 0 | 0 | 0 | 0 | 0 | 123.1 | D48 | A46-D48 PolarHBondContact O-N 3.47Š| ||
| 47 | E | 23.1 | Very low | 23.9 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -54.1 | 121.2 | 158.6 | -61.8 | 173 | 152.2 | 0 | 0 | 111.6 | ||||
| 48 | D | 22.2 | Very low | 23.7 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | 167.7 | 126.9 | 125.4 | -93 | -23.8 | 0 | 0 | 0 | 110.5 | A46 | A46-D48 PolarHBondContact O-N 3.47Š| |||
| 49 | N | 22.3 | Very low | 23.5 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | 118.4 | 127.3 | 161.1 | -61.9 | -48.1 | 0 | 0 | 0 | 117.7 | ||||
| 50 | I | 24.3 | Very low | 23.6 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -34.4 | 124.6 | 172.6 | -59.5 | 157.7 | 0 | 0 | 0 | 114.5 | ||||
| 51 | A | 22.3 | Very low | 23.6 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | trans | -162.9 | 109.9 | 146.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 52 | T | 22.4 | Very low | 23.6 | Very low | 134 Ų | 134 | 140 Ų | 140 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | 37.7 | 112.1 | 91.2 | 52 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 53 | G | 21.6 | Very low | 23.6 | Very low | 80 Ų | 80 | 142.9 Ų | 142.9 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 85.4 | 128.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 54 | S | 23 | Very low | 23.3 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | cis | -150.4 | 139.8 | 42.1 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 55 | L | 23.3 | Very low | 23.5 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -63.8 | 129.6 | 161 | -77.9 | 132.6 | 0 | 0 | 0 | 109 | E57 | L55-E57 PolarHBondContact O-N 2.99Š| ||
| 56 | F | 21.4 | Very low | 23.4 | Very low | 204 Ų | 204 | 139 Ų | 139 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -77 | 108.6 | 157.2 | -83.8 | -86.9 | 0 | 0 | 0 | 107.9 | ||||
| 57 | E | 22.9 | Very low | 23.3 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 126.6 | 174 | -72 | 179.4 | 150.5 | 0 | 0 | 110.7 | L55 | L55-E57 PolarHBondContact O-N 2.99Š|
| 58 | V | 22.5 | Very low | 23.4 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 125.5 | 159.3 | 179.3 | 0 | 0 | 0 | 0 | 105.9 | ||
| 59 | P | 23.4 | Very low | 23.5 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 144.3 | -174.4 | 25.1 | -32.3 | 0 | 0 | 0 | 111 | ||
| 60 | P | 26.5 | Very low | 23.7 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141.3 | 175.9 | 24.9 | -31.9 | 0 | 0 | 0 | 110.3 | ||
| 61 | P | 23.6 | Very low | 23.6 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 137.8 | 179 | 24.6 | -32.1 | 0 | 0 | 0 | 111 | M63 | P61-M63 PolarHBondContact O-N 3.25Š|
| 62 | E | 22.4 | Very low | 23.9 | Very low | 201 Ų | 201 | 132.6 Ų | 132.6 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | trans | -55.8 | 106.1 | 178.2 | -66 | 179.1 | 164 | 0 | 0 | 110.9 | ||||
| 63 | M | 26.3 | Very low | 23.9 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | -88.5 | 121.6 | 163 | -79.9 | -169.4 | 157.8 | 0 | 0 | 108.5 | P61 S65 | P61-M63 PolarHBondContact O-N 3.25Å; M63-S65 PolarHBondContact O-N 3.27Å | ||
| 64 | E | 22.1 | Very low | 24.1 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | trans | -60.3 | 104.5 | 163.4 | -76.2 | -172.9 | 161.5 | 0 | 0 | 108.4 | S66 | E64-S66 PolarHBondContact O-N 3.31Å; E64-S66 VanDerWaalsContact O-N 3.15Å | ||
| 65 | S | 26.5 | Very low | 24.2 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 52% | 0.524 | 77% | 0.766 | S | S | . | * | trans | -70.1 | 109.6 | 176.2 | 84.9 | 0 | 0 | 0 | 0 | 108.7 | M63 S67 K122 | M63-S65 PolarHBondContact O-N 3.27Å; S65-S67 PolarHBondContact O-N 3.1Å; S65-K122 PolarHBondContact OG-NZ 3.46Å | ||
| 66 | S | 23.4 | Very low | 24.4 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -71.6 | 97.1 | 165.1 | 50.1 | 0 | 0 | 0 | 0 | 108.7 | E64 | E64-S66 PolarHBondContact O-N 3.31Å; E64-S66 VanDerWaalsContact O-N 3.15Å | ||
| 67 | S | 24.6 | Very low | 24.6 | Very low | 77 Ų | 77 | 131 Ų | 131 | 54% | 0.538 | 76% | 0.76 | S | S | . | * | trans | -85.5 | 121.2 | 170.5 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | S65 | S65-S67 PolarHBondContact O-N 3.1Š| ||
| 68 | Y | 24.8 | Very low | 25 | Very low | 181 Ų | 181 | 129.6 Ų | 129.6 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | trans | -111.2 | 128.9 | 163.6 | -73.7 | -82.3 | 0 | 0 | 0 | 109.6 | ||||
| 69 | A | 24.2 | Very low | 25.1 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 65% | 0.653 | 76% | 0.759 | S | S | * | * | trans | -92.3 | 125 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 70 | I | 25.4 | Very low | 25.4 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | trans | -102.6 | 107.4 | 169.7 | -59.9 | 176.7 | 0 | 0 | 0 | 106.9 | T72 | I70-T72 PolarHBondContact O-N 3.43Š| ||
| 71 | A | 22.9 | Very low | 25.4 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 63% | 0.628 | 75% | 0.754 | S | S | * | * | trans | -73.1 | 116.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | K73 | A71-K73 PolarHBondContact O-N 3.02Š| ||
| 72 | T | 29 | Very low | 25.7 | Very low | 139 Ų | 139 | 129 Ų | 129 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | -70.9 | 94.5 | 168.7 | 44.1 | 0 | 0 | 0 | 0 | 109.3 | I70 G74 | I70-T72 PolarHBondContact O-N 3.43Å; T72-G74 PolarHBondContact O-N 3.35Å | ||
| 73 | K | 22.5 | Very low | 26 | Very low | 213 Ų | 213 | 122.4 Ų | 122.4 | 93% | 0.926 | 72% | 0.716 | S | S | * | * | trans | -80.8 | 101.4 | 160.9 | -82 | -171.5 | 177 | -179.1 | 0 | 108.5 | A71 | A71-K73 PolarHBondContact O-N 3.02Š| ||
| 74 | G | 25.3 | Very low | 26.2 | Very low | 58 Ų | 58 | 117 Ų | 117 | 60% | 0.598 | 70% | 0.699 | S | S | * | * | trans | 159.4 | 97 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T72 L76 | T72-G74 PolarHBondContact O-N 3.35Å; G74-L76 PolarHBondContact O-N 3.24Å; G74-L76 VanDerWaalsContact O-N 3.15Å | ||
| 75 | S | 25.3 | Very low | 26.5 | Very low | 127 Ų | 127 | 109.9 Ų | 109.9 | 89% | 0.888 | 67% | 0.668 | S | S | * | * | trans | -60 | 109.4 | 161.2 | 55.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 76 | L | 27.4 | Very low | 26.6 | Very low | 168 Ų | 168 | 110.6 Ų | 110.6 | 88% | 0.88 | 67% | 0.667 | S | S | * | * | trans | -125.8 | 130.6 | 165.7 | -89 | 159.3 | 0 | 0 | 0 | 108.1 | G74 | G74-L76 PolarHBondContact O-N 3.24Å; G74-L76 VanDerWaalsContact O-N 3.15Å | ||
| 77 | A | 26.1 | Very low | 26.9 | Very low | 92 Ų | 92 | 107.1 Ų | 107.1 | 76% | 0.76 | 64% | 0.641 | S | S | * | * | trans | -59 | 136.2 | -162.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E79 | A77-E79 PolarHBondContact O-N 2.89Š| ||
| 78 | L | 30.5 | Very low | 27 | Very low | 156 Ų | 156 | 106 Ų | 106 | 82% | 0.817 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -59.1 | 111.2 | 168.4 | -72.5 | 138.9 | 0 | 0 | 0 | 109.4 | ||
| 79 | E | 25.2 | Very low | 27.1 | Very low | 178 Ų | 178 | 102.6 Ų | 102.6 | 83% | 0.832 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 176.2 | 102.8 | 147.1 | -97.1 | 163 | -155.1 | 0 | 0 | 106.5 | A77 A81 | A77-E79 PolarHBondContact O-N 2.89Å; E79-A81 PolarHBondContact O-N 3.1Å |
| 80 | N | 29.6 | Very low | 27.3 | Very low | 159 Ų | 159 | 105.3 Ų | 105.3 | 85% | 0.85 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 71.9 | 20.1 | 171.9 | -53.1 | -27.4 | 0 | 0 | 0 | 118.9 | A82 | N80-A82 PolarHBondContact O-N 3.1Š|
| 81 | A | 27.5 | Very low | 27.3 | Very low | 58 Ų | 58 | 109.2 Ų | 109.2 | 48% | 0.479 | 63% | 0.634 | S | S | . | * | trans | -82.7 | 106.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E79 V83 | E79-A81 PolarHBondContact O-N 3.1Å; A81-V83 PolarHBondContact O-N 3.09Å | ||
| 82 | A | 29.6 | Very low | 27.4 | Very low | 65 Ų | 65 | 111 Ų | 111 | 54% | 0.537 | 63% | 0.629 | S | S | . | * | trans | -54.6 | 109.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | N80 A84 V107 | N80-A82 PolarHBondContact O-N 3.1Å; A82-A84 PolarHBondContact O-N 3.22Å; A82-V107 HydrophobicContact CB-CG1 3.97Å | ||
| 83 | V | 28.4 | Very low | 27.2 | Very low | 63 Ų | 63 | 109.8 Ų | 109.8 | 38% | 0.382 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.7 | 100.5 | 179.5 | -178 | 0 | 0 | 0 | 0 | 107.1 | A81 V85 | A81-V83 PolarHBondContact O-N 3.09Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V83-V85 HydrophobicContact CG1-CG2 3.83Å; V83-V85 PolarHBondContact O-N 3.43Å |
| 84 | A | 29.7 | Very low | 27.2 | Very low | 60 Ų | 60 | 106 Ų | 106 | 50% | 0.496 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.3 | 89.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | A82 N86 T105 | A82-A84 PolarHBondContact O-N 3.22Å; A84-N86 PolarHBondContact O-N 3.25Å; A84-N86 VanDerWaalsContact O-N 3.17Å; A84-T105 HydrophobicContact CB-CG2 3.41Å; A84-T105 VanDerWaalsContact CB-CG2 3.41Å |
| 85 | V | 29.1 | Very low | 27.1 | Very low | 43 Ų | 43 | 105.2 Ų | 105.2 | 26% | 0.261 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.7 | 104.4 | 172.1 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | V83 V87 A104 T105 C106 I108 | V83-V85 VanDerWaalsContact C-N 3.34Å; V83-V85 HydrophobicContact CG1-CG2 3.83Å; V83-V85 PolarHBondContact O-N 3.43Å; V85-V87 HydrophobicContact CG1-CG2 4.17Å; V85-V87 PolarHBondContact O-N 3.16Å; V85-V87 VanDerWaalsContact O-N 3.09Å; V85-A104 VanDerWaalsContact O-O 3.06Å; V85-T105 WeakPolarHBondContact O-CA 3.19Å; V85-C106 HydrophobicContact CB-CB 4.4Å; V85-C106 PolarHBondContact N-O 3.48Å; V85-C106 VanDerWaalsContact N-O 3.1Å; V85-C106 PolarHBondContact O-N 2.73Å; V85-C106 VanDerWaalsContact O-N 3.1Å; V85-I108 HydrophobicContact CG2-CD1 3.87Å; V85-I108 HydrophobicContact CG2-CG1 4.42Å |
| 86 | N | 28.8 | Very low | 27.1 | Very low | 91 Ų | 91 | 107.3 Ų | 107.3 | 49% | 0.487 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.9 | 95.9 | 172.6 | -80.6 | -27.7 | 0 | 0 | 0 | 109.4 | A84 A88 T103 T105 | A84-N86 PolarHBondContact O-N 3.25Å; A84-N86 VanDerWaalsContact O-N 3.17Å; N86-A88 PolarHBondContact O-N 3.32Å; N86-T103 HydrophobicContact CB-CG2 3.78Å; N86-T105 PolarHBondContact OD1-OG1 3.19Å |
| 87 | V | 28.6 | Very low | 26.8 | Very low | 29 Ų | 29 | 105.2 Ų | 105.2 | 18% | 0.176 | 59% | 0.589 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.1 | 102 | 168.6 | -173.7 | 0 | 0 | 0 | 0 | 107.3 | V85 F89 T103 A104 | V85-V87 HydrophobicContact CG1-CG2 4.17Å; V85-V87 PolarHBondContact O-N 3.16Å; V85-V87 VanDerWaalsContact O-N 3.09Å; V87-F89 HydrophobicContact CG1-CE1 4.35Å; V87-F89 HydrophobicContact CG1-CZ 4.34Å; V87-T103 WeakPolarHBondContact O-CA 3.49Å; V87-A104 PolarHBondContact N-O 3.28Å; V87-A104 PolarHBondContact O-N 2.99Å; V87-A104 VanDerWaalsContact O-N 3.1Å |
| 88 | A | 27 | Very low | 26.8 | Very low | 53 Ų | 53 | 105.8 Ų | 105.8 | 44% | 0.438 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.9 | 117 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | N86 D90 C101 | N86-A88 PolarHBondContact O-N 3.32Å; A88-D90 PolarHBondContact O-N 3.15Å; A88-C101 HydrophobicContact CB-CB 4.38Å |
| 89 | F | 28.3 | Very low | 26.5 | Very low | 110 Ų | 110 | 103.9 Ų | 103.9 | 48% | 0.482 | 59% | 0.587 | S | S | . | * | trans | -77.2 | 107 | 170.4 | -62.1 | -81.4 | 0 | 0 | 0 | 109 | V87 R91 A104 | V87-F89 HydrophobicContact CG1-CE1 4.35Å; V87-F89 HydrophobicContact CG1-CZ 4.34Å; F89-R91 VanDerWaalsContact C-N 3.33Å; F89-R91 PolarHBondContact O-N 3.44Å; F89-R91 VanDerWaalsContact O-N 3.16Å; F89-A104 HydrophobicContact CE2-CB 3.6Å; F89-A104 HydrophobicContact CZ-CB 4Å | ||
| 90 | D | 26.6 | Very low | 26.6 | Very low | 136 Ų | 136 | 104.1 Ų | 104.1 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | trans | -81.8 | 87.2 | 163.8 | -152.6 | -0.7 | 0 | 0 | 0 | 107.9 | A88 H92 | A88-D90 PolarHBondContact O-N 3.15Å; D90-H92 PolarHBondContact O-N 3.37Å | ||
| 91 | R | 25.8 | Very low | 26.4 | Very low | 219 Ų | 219 | 100.7 Ų | 100.7 | 83% | 0.826 | 58% | 0.576 | S | S | * | * | trans | -77.3 | 99.9 | 159.1 | -88.2 | -169.2 | 174.6 | -177.1 | -0.1 | 106.1 | F89 | F89-R91 VanDerWaalsContact C-N 3.33Å; F89-R91 PolarHBondContact O-N 3.44Å; F89-R91 VanDerWaalsContact O-N 3.16Å | ||
| 92 | H | 25 | Very low | 26.5 | Very low | 113 Ų | 113 | 106.7 Ų | 106.7 | 52% | 0.523 | 59% | 0.591 | S | S | . | * | trans | -166.8 | 119.9 | 141 | -97.5 | -55.9 | 0 | 0 | 0 | 112.4 | D90 H94 | D90-H92 PolarHBondContact O-N 3.37Å; H92-H94 VanDerWaalsContact C-N 3.34Å; H92-H94 PolarHBondContact ND1-O 3.48Å; H92-H94 PolarHBondContact O-N 2.81Å | ||
| 93 | P | 25.6 | Very low | 26.4 | Very low | 115 Ų | 115 | 106.9 Ų | 106.9 | 75% | 0.747 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -70.8 | 105.7 | 132.5 | 30.1 | -19.8 | 0 | 0 | 0 | 105.6 | ||
| 94 | H | 22.5 | Very low | 26.5 | Very low | 134 Ų | 134 | 104.7 Ų | 104.7 | 62% | 0.62 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 73.4 | 109.2 | 170.8 | -55.5 | -68.2 | 0 | 0 | 0 | 118.8 | H92 P358 | H92-H94 VanDerWaalsContact C-N 3.34Å; H92-H94 PolarHBondContact ND1-O 3.48Å; H92-H94 PolarHBondContact O-N 2.81Å; H94-P358 HydrophobicContact CB-CB 3.91Å; H94-P358 HydrophobicContact CB-CG 3.63Å; H94-P358 WeakPolarHBondContact O-CB 3.42Å; H94-P358 WeakPolarHBondContact O-CG 3.46Å |
| 95 | G | 23.4 | Very low | 26.5 | Very low | 40 Ų | 40 | 104.6 Ų | 104.6 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | trans | 86.4 | 70 | 130 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 96 | K | 23.6 | Very low | 26.5 | Very low | 171 Ų | 171 | 104.2 Ų | 104.2 | 74% | 0.743 | 57% | 0.566 | S | S | * | * | -171.6 | 138.1 | 123.2 | -101.7 | 167.6 | -171.2 | -177.3 | 0 | 111.8 | |||||
| 97 | T | 22 | Very low | 26.6 | Very low | 125 Ų | 125 | 105 Ų | 105 | 77% | 0.767 | 57% | 0.574 | S | S | * | * | trans | -59.9 | 135.3 | 177.8 | 35.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 98 | S | 26.1 | Very low | 26.7 | Very low | 104 Ų | 104 | 105.5 Ų | 105.5 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 33.3 | 107.3 | 141.7 | 67.4 | 0 | 0 | 0 | 0 | 118.1 | ||
| 99 | S | 24 | Very low | 26.8 | Very low | 116 Ų | 116 | 109.2 Ų | 109.2 | 81% | 0.811 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -177.4 | -1.5 | 139.9 | 39.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 100 | Q | 28 | Very low | 27 | Very low | 183 Ų | 183 | 107.7 Ų | 107.7 | 86% | 0.855 | 58% | 0.583 | S | S | * | * | trans | -141.5 | 63 | 177 | -64.5 | -172.9 | -7.3 | 0 | 0 | 111.6 | K102 | Q100-K102 PolarHBondContact O-N 3.33Å; Q100-K102 VanDerWaalsContact O-N 3.09Å | ||
| 101 | C | 25.9 | Very low | 27.4 | Very low | 87 Ų | 87 | 105.4 Ų | 105.4 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | trans | -67 | 106.6 | 165.4 | -65.2 | 0 | 0 | 0 | 0 | 107.9 | A88 T103 | A88-C101 HydrophobicContact CB-CB 4.38Å; C101-T103 PolarHBondContact O-N 3.16Å | ||
| 102 | K | 27.9 | Very low | 27.8 | Very low | 184 Ų | 184 | 98.7 Ų | 98.7 | 80% | 0.8 | 56% | 0.558 | S | S | * | * | trans | -76 | 101.6 | 159.2 | -73.9 | -172.5 | 177.9 | -175 | 0 | 106.4 | Q100 | Q100-K102 PolarHBondContact O-N 3.33Å; Q100-K102 VanDerWaalsContact O-N 3.09Å | ||
| 103 | T | 28.2 | Very low | 28.1 | Very low | 68 Ų | 68 | 96 Ų | 96 | 42% | 0.417 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 122.4 | 174.5 | 40.7 | 0 | 0 | 0 | 0 | 109 | N86 V87 C101 | N86-T103 HydrophobicContact CB-CG2 3.78Å; V87-T103 WeakPolarHBondContact O-CA 3.49Å; C101-T103 PolarHBondContact O-N 3.16Å |
| 104 | A | 29.5 | Very low | 28.4 | Very low | 18 Ų | 18 | 95.3 Ų | 95.3 | 15% | 0.149 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.3 | 124.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 107 | V85 V87 F89 | V85-A104 VanDerWaalsContact O-O 3.06Å; V87-A104 PolarHBondContact N-O 3.28Å; V87-A104 PolarHBondContact O-N 2.99Å; V87-A104 VanDerWaalsContact O-N 3.1Å; F89-A104 HydrophobicContact CE2-CB 3.6Å; F89-A104 HydrophobicContact CZ-CB 4Å |
| 105 | T | 30.2 | Very low | 28.9 | Very low | 57 Ų | 57 | 96.3 Ų | 96.3 | 35% | 0.35 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 107.8 | 175.7 | -53.6 | 0 | 0 | 0 | 0 | 108.1 | A84 V85 N86 | A84-T105 HydrophobicContact CB-CG2 3.41Å; A84-T105 VanDerWaalsContact CB-CG2 3.41Å; V85-T105 WeakPolarHBondContact O-CA 3.19Å; N86-T105 PolarHBondContact OD1-OG1 3.19Å |
| 106 | C | 30.5 | Very low | 29.3 | Very low | 36 Ų | 36 | 97.1 Ų | 97.1 | 24% | 0.243 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 129.7 | 168.2 | -75.7 | 0 | 0 | 0 | 0 | 108.7 | V85 | V85-C106 HydrophobicContact CB-CB 4.4Å; V85-C106 PolarHBondContact N-O 3.48Å; V85-C106 VanDerWaalsContact N-O 3.1Å; V85-C106 PolarHBondContact O-N 2.73Å; V85-C106 VanDerWaalsContact O-N 3.1Å |
| 107 | V | 30 | Very low | 29.4 | Very low | 107 Ų | 107 | 93.8 Ų | 93.8 | 65% | 0.648 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 110 | 171.6 | 177.6 | 0 | 0 | 0 | 0 | 107.6 | A82 | A82-V107 HydrophobicContact CB-CG1 3.97Å |
| 108 | I | 30.2 | Very low | 29.8 | Very low | 40 Ų | 40 | 93.5 Ų | 93.5 | 21% | 0.205 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 129.1 | 172.5 | -56.7 | 175.2 | 0 | 0 | 0 | 107.9 | V85 | V85-I108 HydrophobicContact CG2-CD1 3.87Å; V85-I108 HydrophobicContact CG2-CG1 4.42Å |
| 109 | H | 30.6 | Very low | 30 | Very low | 131 Ų | 131 | 91.5 Ų | 91.5 | 61% | 0.606 | 53% | 0.532 | S | S | * | . | trans | -70.9 | 136.5 | 178.8 | -152.3 | -94 | 0 | 0 | 0 | 110.1 | S111 D112 | H109-S111 PolarHBondContact ND1-OG 3Å; H109-S111 PolarHBondContact O-N 3.15Å; H109-D112 PolarHBondContact O-N 3.29Å; H109-D112 VanDerWaalsContact O-N 3.16Å | ||
| 110 | T | 30.9 | Very low | 30.3 | Very low | 78 Ų | 78 | 87.9 Ų | 87.9 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -63.3 | -14.6 | -171.3 | 41.8 | 0 | 0 | 0 | 0 | 114.9 | D112 V113 | T110-D112 PolarHBondContact O-N 2.69Å; T110-V113 PolarHBondContact O-N 2.93Å |
| 111 | S | 35.5 | Very low | 30.3 | Very low | 88 Ų | 88 | 81.2 Ų | 81.2 | 62% | 0.615 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -66.1 | -22.2 | 174.9 | 52.1 | 0 | 0 | 0 | 0 | 113.8 | H109 | H109-S111 PolarHBondContact ND1-OG 3Å; H109-S111 PolarHBondContact O-N 3.15Å |
| 112 | D | 34.4 | Very low | 30.5 | Very low | 78 Ų | 78 | 79.3 Ų | 79.3 | 42% | 0.417 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -102.1 | 0.6 | -176.8 | -60 | -24.2 | 0 | 0 | 0 | 112 | H109 T110 A114 D115 V116 | H109-D112 PolarHBondContact O-N 3.29Å; H109-D112 VanDerWaalsContact O-N 3.16Å; T110-D112 PolarHBondContact O-N 2.69Å; D112-A114 VanDerWaalsContact C-N 3.34Å; D112-A114 PolarHBondContact O-N 3.16Å; D112-D115 PolarHBondContact O-N 3.12Å; D112-V116 WeakPolarHBondContact O-CG2 3.37Å |
| 113 | V | 31.6 | Very low | 30.5 | Very low | 56 Ų | 56 | 73 Ų | 73 | 34% | 0.339 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -75.1 | -20.5 | -169.6 | 175.4 | 0 | 0 | 0 | 0 | 113.4 | T110 D115 | T110-V113 PolarHBondContact O-N 2.93Å; V113-D115 VanDerWaalsContact C-N 3.29Å; V113-D115 PolarHBondContact O-N 3.07Å |
| 114 | A | 32.1 | Very low | 30.5 | Very low | 100 Ų | 100 | 74.3 Ų | 74.3 | 83% | 0.826 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -71.7 | -22.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D112 | D112-A114 VanDerWaalsContact C-N 3.34Å; D112-A114 PolarHBondContact O-N 3.16Å |
| 115 | D | 33.2 | Very low | 30.4 | Very low | 155 Ų | 155 | 80.5 Ų | 80.5 | 83% | 0.829 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -111 | 8.5 | -178.4 | -77.9 | -31.2 | 0 | 0 | 0 | 113.6 | D112 V113 S117 | D112-D115 PolarHBondContact O-N 3.12Å; V113-D115 VanDerWaalsContact C-N 3.29Å; V113-D115 PolarHBondContact O-N 3.07Å; D115-S117 PolarHBondContact O-N 2.83Å |
| 116 | V | 29.9 | Very low | 30.2 | Very low | 57 Ų | 57 | 79.8 Ų | 79.8 | 35% | 0.345 | 47% | 0.474 | S | S | . | . | trans | -103.7 | 66.9 | -176.7 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | D112 T119 | D112-V116 WeakPolarHBondContact O-CG2 3.37Å; V116-T119 HydrophobicContact CG1-CG2 3.75Å; V116-T119 WeakPolarHBondContact CG1-OG1 3.43Å | ||
| 117 | S | 27.6 | Very low | 30 | Very low | 101 Ų | 101 | 82.7 Ų | 82.7 | 71% | 0.706 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -82.7 | 117.2 | 160 | 58.4 | 0 | 0 | 0 | 0 | 108.1 | D115 | D115-S117 PolarHBondContact O-N 2.83Š|
| 118 | E | 29.9 | Very low | 29.8 | Very low | 120 Ų | 120 | 84.5 Ų | 84.5 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 53.8 | 69.8 | 179.9 | -63.8 | -175.6 | 151.9 | 0 | 0 | 115.2 | V120 N155 | E118-V120 PolarHBondContact O-N 3.37Å; E118-N155 PolarHBondContact OE2-ND2 3.26Å |
| 119 | T | 30.7 | Very low | 29.5 | Very low | 62 Ų | 62 | 87 Ų | 87 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | trans | -69 | 100 | 162.4 | 8.9 | 0 | 0 | 0 | 0 | 109.7 | V116 C121 | V116-T119 HydrophobicContact CG1-CG2 3.75Å; V116-T119 WeakPolarHBondContact CG1-OG1 3.43Å; T119-C121 PolarHBondContact O-N 3.04Å | ||
| 120 | V | 28.8 | Very low | 29.1 | Very low | 39 Ų | 39 | 87.3 Ų | 87.3 | 24% | 0.236 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 96 | 159.2 | -177.4 | 0 | 0 | 0 | 0 | 106.9 | E118 K122 | E118-V120 PolarHBondContact O-N 3.37Å; V120-K122 VanDerWaalsContact C-N 3.33Å; V120-K122 HydrophobicContact CG1-CG 4.06Å; V120-K122 PolarHBondContact O-N 3.5Å |
| 121 | C | 28.4 | Very low | 28.7 | Very low | 44 Ų | 44 | 93.7 Ų | 93.7 | 30% | 0.297 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.8 | 92.2 | 168.1 | -68.6 | 0 | 0 | 0 | 0 | 108.9 | T119 T123 | T119-C121 PolarHBondContact O-N 3.04Å; C121-T123 PolarHBondContact O-N 2.88Å |
| 122 | K | 29.5 | Very low | 28.3 | Very low | 47 Ų | 47 | 97.6 Ų | 97.6 | 20% | 0.204 | 57% | 0.569 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.1 | 107.6 | 161.7 | -75.5 | -164.9 | 177.7 | -169 | 0 | 107.3 | S65 V120 D124 I151 | S65-K122 PolarHBondContact OG-NZ 3.46Å; V120-K122 VanDerWaalsContact C-N 3.33Å; V120-K122 HydrophobicContact CG1-CG 4.06Å; V120-K122 PolarHBondContact O-N 3.5Å; K122-D124 PolarHBondContact O-N 3.16Å; K122-I151 PolarHBondContact O-N 3.38Å; K122-I151 VanDerWaalsContact O-N 3.14Å |
| 123 | T | 28.5 | Very low | 27.7 | Very low | 52 Ų | 52 | 97 Ų | 97 | 32% | 0.319 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.6 | 92.9 | 168.3 | -38.4 | 0 | 0 | 0 | 0 | 106.5 | C121 I125 V148 | C121-T123 PolarHBondContact O-N 2.88Å; T123-I125 PolarHBondContact O-N 3.42Å; T123-V148 HydrophobicContact CG2-CG1 4.08Å |
| 124 | D | 27.6 | Very low | 27.3 | Very low | 94 Ų | 94 | 98.8 Ų | 98.8 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | trans | -75.7 | 111.3 | 165.9 | -96.5 | -31.8 | 0 | 0 | 0 | 107.3 | K122 G126 I151 | K122-D124 PolarHBondContact O-N 3.16Å; D124-G126 PolarHBondContact O-N 3.2Å; D124-I151 HydrophobicContact CB-CD1 3.93Å; D124-I151 WeakPolarHBondContact OD2-CD1 3.47Å | ||
| 125 | I | 28.3 | Very low | 26.9 | Very low | 148 Ų | 148 | 101.8 Ų | 101.8 | 76% | 0.759 | 59% | 0.592 | S | S | * | * | trans | -76 | 72.5 | 164.4 | -55.1 | 175.9 | 0 | 0 | 0 | 106.2 | T123 A127 | T123-I125 PolarHBondContact O-N 3.42Å; I125-A127 PolarHBondContact O-N 3.36Å; I125-A127 VanDerWaalsContact O-N 3.16Å | ||
| 126 | G | 26.5 | Very low | 26.4 | Very low | 43 Ų | 43 | 97.9 Ų | 97.9 | 44% | 0.443 | 58% | 0.581 | S | S | . | * | trans | -69.9 | 103.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | D124 N128 | D124-G126 PolarHBondContact O-N 3.2Å; G126-N128 PolarHBondContact O-N 2.98Å | ||
| 127 | A | 26.1 | Very low | 26.1 | Very low | 96 Ų | 96 | 107.1 Ų | 107.1 | 79% | 0.793 | 61% | 0.609 | S | S | * | * | trans | -71.9 | 67.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | I125 S129 | I125-A127 PolarHBondContact O-N 3.36Å; I125-A127 VanDerWaalsContact O-N 3.16Å; A127-S129 PolarHBondContact O-N 3.42Å | ||
| 128 | N | 24.5 | Very low | 26 | Very low | 145 Ų | 145 | 105.7 Ų | 105.7 | 78% | 0.775 | 61% | 0.611 | S | S | * | * | trans | -90.6 | 87.8 | 170.7 | -77 | -8.9 | 0 | 0 | 0 | 108.3 | G126 V130 | G126-N128 PolarHBondContact O-N 2.98Å; N128-V130 PolarHBondContact O-N 3.26Å | ||
| 129 | S | 24.6 | Very low | 25.7 | Very low | 93 Ų | 93 | 105.5 Ų | 105.5 | 65% | 0.65 | 62% | 0.618 | S | S | * | * | trans | -92.5 | 94.9 | 165.6 | 54.7 | 0 | 0 | 0 | 0 | 109.6 | A127 | A127-S129 PolarHBondContact O-N 3.42Š| ||
| 130 | V | 23.2 | Very low | 25.5 | Very low | 138 Ų | 138 | 109.9 Ų | 109.9 | 84% | 0.836 | 63% | 0.633 | S | S | * | * | trans | -75.2 | 126.2 | 156.7 | 178.2 | 0 | 0 | 0 | 0 | 107.1 | N128 | N128-V130 PolarHBondContact O-N 3.26Š| ||
| 131 | Y | 22.5 | Very low | 25.2 | Very low | 211 Ų | 211 | 113.5 Ų | 113.5 | 83% | 0.827 | 66% | 0.656 | S | S | * | * | trans | -97.7 | 133.5 | 173.3 | -84.3 | -93.9 | 0 | 0 | 0 | 109.8 | ||||
| 132 | D | 25.8 | Very low | 25.1 | Very low | 170 Ų | 170 | 120.2 Ų | 120.2 | 91% | 0.909 | 68% | 0.675 | S | S | * | * | trans | -141.1 | 144 | 157 | -157.3 | -3.3 | 0 | 0 | 0 | 111.5 | ||||
| 133 | G | 22.8 | Very low | 24.9 | Very low | 66 Ų | 66 | 122.1 Ų | 122.1 | 68% | 0.68 | 68% | 0.684 | S | S | * | * | trans | -80 | -163.7 | -159.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 134 | S | 22.5 | Very low | 24.8 | Very low | 93 Ų | 93 | 128.8 Ų | 128.8 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | cis | -166 | 174 | 3.3 | 53.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 135 | F | 24.9 | Very low | 24.7 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 72% | 0.719 | 73% | 0.725 | S | S | * | * | trans | 167 | 160.2 | 133.9 | -107.4 | -95.6 | 0 | 0 | 0 | 115.9 | ||||
| 136 | A | 22.7 | Very low | 24.5 | Very low | 72 Ų | 72 | 134.6 Ų | 134.6 | 60% | 0.595 | 73% | 0.728 | S | S | * | * | trans | -64.6 | 164.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | G138 | A136-G138 PolarHBondContact O-N 3.14Š| ||
| 137 | R | 23.7 | Very low | 24.5 | Very low | 252 Ų | 252 | 140.7 Ų | 140.7 | 95% | 0.951 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -18.5 | 113.7 | 167.5 | -66 | 175.2 | 172.4 | -173.2 | -2.8 | 114.7 | ||
| 138 | G | 24.8 | Very low | 24.6 | Very low | 71 Ų | 71 | 139.2 Ų | 139.2 | 73% | 0.732 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.8 | -53.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A136 | A136-G138 PolarHBondContact O-N 3.14Š|
| 139 | T | 23 | Very low | 24.7 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -176 | 121.8 | -173.5 | 32.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 140 | H | 25.9 | Very low | 24.9 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | trans | -164.6 | 136.1 | 146 | -86.2 | -58 | 0 | 0 | 0 | 112.5 | ||||
| 141 | T | 23.3 | Very low | 25.1 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | trans | -65.7 | 145.5 | 175 | 42 | 0 | 0 | 0 | 0 | 113 | ||||
| 142 | W | 25.9 | Very low | 25.3 | Very low | 186 Ų | 186 | 120.4 Ų | 120.4 | 71% | 0.705 | 63% | 0.631 | S | S | * | * | trans | -112.9 | 123.2 | 176.7 | -60.1 | 64.3 | 0 | 0 | 0 | 109.2 | K270 | W142-K270 VanDerWaalsContact CH2-NZ 3.35Å; W142-K270 HydrophobicContact CZ2-CD 4.06Å | ||
| 143 | Q | 25.7 | Very low | 25.5 | Very low | 86 Ų | 86 | 118.5 Ų | 118.5 | 40% | 0.402 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -100.3 | 127.7 | 173.2 | -75.3 | -178.6 | -19.6 | 0 | 0 | 109.1 | M188 S190 | Q143-M188 HydrophobicContact CG-CE 3.68Å; Q143-M188 HydrophobicContact CG-SD 3.98Å; Q143-M188 PolarHBondContact NE2-SD 3.32Å; Q143-M188 VanDerWaalsContact NE2-SD 3.44Å; Q143-S190 PolarHBondContact NE2-OG 3.14Å |
| 144 | H | 26.1 | Very low | 25.6 | Very low | 192 Ų | 192 | 119.1 Ų | 119.1 | 89% | 0.889 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 119.8 | 163.2 | -74.7 | -81.6 | 0 | 0 | 0 | 108.2 | ||
| 145 | R | 25.5 | Very low | 25.7 | Very low | 208 Ų | 208 | 120.7 Ų | 120.7 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 120.6 | 165 | -72.9 | -177.3 | 173.8 | 171.8 | -3.8 | 108.4 | ||
| 146 | L | 25.5 | Very low | 25.7 | Very low | 156 Ų | 156 | 117.1 Ų | 117.1 | 82% | 0.817 | 60% | 0.601 | S | S | * | * | trans | -90.9 | 112.9 | 168.5 | -131.4 | 136.7 | 0 | 0 | 0 | 106.1 | V148 | L146-V148 HydrophobicContact CD2-CG2 4.12Å; L146-V148 PolarHBondContact O-N 3.34Å | ||
| 147 | Y | 25.6 | Very low | 25.8 | Very low | 172 Ų | 172 | 119.2 Ų | 119.2 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | trans | -85.7 | 104.5 | 173.7 | -147.7 | -93.3 | 0 | 0 | 0 | 107.8 | G149 A168 | Y147-G149 PolarHBondContact O-N 3.47Å; Y147-A168 WeakPolarHBondContact OH-CB 3.42Å | ||
| 148 | V | 27.4 | Very low | 25.9 | Very low | 64 Ų | 64 | 110.2 Ų | 110.2 | 39% | 0.388 | 59% | 0.594 | S | S | . | * | trans | -91.8 | 94.5 | 165.1 | -178 | 0 | 0 | 0 | 0 | 105.6 | T123 L146 T150 | T123-V148 HydrophobicContact CG2-CG1 4.08Å; L146-V148 HydrophobicContact CD2-CG2 4.12Å; L146-V148 PolarHBondContact O-N 3.34Å; V148-T150 PolarHBondContact O-N 2.99Å | ||
| 149 | G | 26.7 | Very low | 25.8 | Very low | 22 Ų | 22 | 115.5 Ų | 115.5 | 23% | 0.227 | 61% | 0.605 | C | S | . | * | trans | -75.6 | 111.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y147 I151 | Y147-G149 PolarHBondContact O-N 3.47Å; G149-I151 PolarHBondContact O-N 3.23Å | ||
| 150 | T | 28.5 | Very low | 25.8 | Very low | 26 Ų | 26 | 116.7 Ų | 116.7 | 16% | 0.16 | 61% | 0.607 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 113.2 | 167 | -31.9 | 0 | 0 | 0 | 0 | 106.8 | V148 C152 | V148-T150 PolarHBondContact O-N 2.99Å; T150-C152 PolarHBondContact O-N 3.29Å |
| 151 | I | 27.5 | Very low | 25.7 | Very low | 84 Ų | 84 | 115.6 Ų | 115.6 | 43% | 0.431 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 100.6 | 171.6 | -57.9 | 178.5 | 0 | 0 | 0 | 106.7 | K122 D124 G149 K153 | K122-I151 PolarHBondContact O-N 3.38Å; K122-I151 VanDerWaalsContact O-N 3.14Å; D124-I151 HydrophobicContact CB-CD1 3.93Å; D124-I151 WeakPolarHBondContact OD2-CD1 3.47Å; G149-I151 PolarHBondContact O-N 3.23Å; I151-K153 PolarHBondContact O-N 3.25Å |
| 152 | C | 28.5 | Very low | 25.9 | Very low | 60 Ų | 60 | 113.9 Ų | 113.9 | 41% | 0.405 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.3 | 108.6 | 167.9 | -67.4 | 0 | 0 | 0 | 0 | 107.9 | T150 | T150-C152 PolarHBondContact O-N 3.29Å |
| 153 | K | 28.2 | Very low | 26 | Very low | 131 Ų | 131 | 111.4 Ų | 111.4 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 108.7 | 170.8 | -151.8 | -179.6 | -173.8 | -170.6 | 0 | 107.2 | I151 | I151-K153 PolarHBondContact O-N 3.25Å |
| 154 | S | 24.8 | Very low | 26.1 | Very low | 78 Ų | 78 | 114.1 Ų | 114.1 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | trans | -71 | 133.6 | 168.2 | 60.1 | 0 | 0 | 0 | 0 | 108.8 | T156 | S154-T156 VanDerWaalsContact C-N 3.26Å; S154-T156 PolarHBondContact O-N 3.36Å | ||
| 155 | N | 24.8 | Very low | 26.1 | Very low | 127 Ų | 127 | 109.5 Ų | 109.5 | 68% | 0.679 | 61% | 0.611 | S | S | * | * | trans | -82.1 | 76.8 | 178 | -154.1 | 6.3 | 0 | 0 | 0 | 108.8 | E118 | E118-N155 PolarHBondContact OE2-ND2 3.26Š| ||
| 156 | T | 24.6 | Very low | 26.1 | Very low | 88 Ų | 88 | 105.9 Ų | 105.9 | 54% | 0.54 | 61% | 0.607 | S | S | . | * | trans | -109.3 | 129.5 | 162.3 | 47.2 | 0 | 0 | 0 | 0 | 108.3 | S154 S158 | S154-T156 VanDerWaalsContact C-N 3.26Å; S154-T156 PolarHBondContact O-N 3.36Å; T156-S158 PolarHBondContact O-N 3.29Å | ||
| 157 | A | 26 | Very low | 26.2 | Very low | 117 Ų | 117 | 100.5 Ų | 100.5 | 97% | 0.967 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -65.1 | 46.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 158 | S | 24.7 | Very low | 26.3 | Very low | 63 Ų | 63 | 94.9 Ų | 94.9 | 44% | 0.441 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -136.4 | 134.6 | 176.1 | 58.4 | 0 | 0 | 0 | 0 | 109 | T156 L160 | T156-S158 PolarHBondContact O-N 3.29Å; S158-L160 PolarHBondContact O-N 3.2Å |
| 159 | N | 23.4 | Very low | 26.4 | Very low | 181 Ų | 181 | 98.7 Ų | 98.7 | 97% | 0.968 | 58% | 0.582 | S | S | * | * | trans | -67.7 | 37.9 | -179 | -78.7 | -29.7 | 0 | 0 | 0 | 113.9 | ||||
| 160 | L | 23.6 | Very low | 26.4 | Very low | 141 Ų | 141 | 105.2 Ų | 105.2 | 74% | 0.738 | 61% | 0.607 | S | S | * | * | trans | -108.6 | 102 | -178.7 | -82.7 | 151.6 | 0 | 0 | 0 | 109.2 | S158 S162 | S158-L160 PolarHBondContact O-N 3.2Å; L160-S162 PolarHBondContact O-N 2.99Å; L160-S162 VanDerWaalsContact O-N 3.1Å | ||
| 161 | V | 24.6 | Very low | 26.4 | Very low | 130 Ų | 130 | 106.7 Ų | 106.7 | 79% | 0.788 | 62% | 0.618 | S | S | * | * | trans | -69.1 | 98.7 | 162.7 | 178.5 | 0 | 0 | 0 | 0 | 106.7 | V163 | V161-V163 HydrophobicContact CG1-CG2 4.49Š| ||
| 162 | S | 26.4 | Very low | 26.3 | Very low | 79 Ų | 79 | 109.5 Ų | 109.5 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | trans | -86.3 | 113.9 | 165.7 | 58.3 | 0 | 0 | 0 | 0 | 108.5 | L160 Q164 | L160-S162 PolarHBondContact O-N 2.99Å; L160-S162 VanDerWaalsContact O-N 3.1Å; S162-Q164 PolarHBondContact O-N 2.99Å; S162-Q164 VanDerWaalsContact O-N 3.09Å | ||
| 163 | V | 27.8 | Very low | 26.3 | Very low | 134 Ų | 134 | 111.5 Ų | 111.5 | 81% | 0.812 | 64% | 0.637 | S | S | * | * | trans | -74.9 | 93.5 | 167.2 | -179.3 | 0 | 0 | 0 | 0 | 106.4 | V161 S165 | V161-V163 HydrophobicContact CG1-CG2 4.49Å; V163-S165 PolarHBondContact O-N 3.14Å | ||
| 164 | Q | 28.3 | Very low | 26.2 | Very low | 143 Ų | 143 | 110.4 Ų | 110.4 | 67% | 0.668 | 64% | 0.643 | S | S | * | * | trans | -75.9 | 115.1 | 168 | -81 | -172.2 | -21.9 | 0 | 0 | 108.7 | S162 D166 | S162-Q164 PolarHBondContact O-N 2.99Å; S162-Q164 VanDerWaalsContact O-N 3.09Å; Q164-D166 PolarHBondContact O-N 2.87Å; Q164-D166 VanDerWaalsContact O-N 3.15Å | ||
| 165 | S | 26.4 | Very low | 26.3 | Very low | 96 Ų | 96 | 113.1 Ų | 113.1 | 67% | 0.671 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -60.5 | -16.9 | 176 | 48.6 | 0 | 0 | 0 | 0 | 113.8 | V163 | V163-S165 PolarHBondContact O-N 3.14Š|
| 166 | D | 25.3 | Very low | 26.3 | Very low | 132 Ų | 132 | 113 Ų | 113 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -96.9 | 4.8 | -165.1 | -59.6 | -8.6 | 0 | 0 | 0 | 113.6 | Q164 A168 | Q164-D166 PolarHBondContact O-N 2.87Å; Q164-D166 VanDerWaalsContact O-N 3.15Å; D166-A168 PolarHBondContact O-N 3.3Å |
| 167 | C | 27.3 | Very low | 26.4 | Very low | 43 Ų | 43 | 111 Ų | 111 | 29% | 0.291 | 66% | 0.662 | S | S | . | * | G | 310 helix | trans | -84.7 | 10.8 | 173.4 | -106.6 | 0 | 0 | 0 | 0 | 114.3 | K169 | C167-K169 PolarHBondContact O-N 2.95Š|
| 168 | A | 28.2 | Very low | 26.3 | Very low | 54 Ų | 54 | 111.1 Ų | 111.1 | 45% | 0.446 | 65% | 0.654 | S | S | . | * | trans | -78.9 | 58.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y147 D166 | Y147-A168 WeakPolarHBondContact OH-CB 3.42Å; D166-A168 PolarHBondContact O-N 3.3Å | ||
| 169 | K | 29.4 | Very low | 26.4 | Very low | 143 Ų | 143 | 112.5 Ų | 112.5 | 62% | 0.622 | 67% | 0.668 | S | S | * | * | trans | -93.1 | 117.8 | 165 | -73.1 | -174 | -177.7 | 172.8 | 0 | 108.1 | C167 C171 | C167-K169 PolarHBondContact O-N 2.95Å; K169-C171 PolarHBondContact O-N 3.46Å; K169-C171 VanDerWaalsContact O-N 3.16Å | ||
| 170 | E | 27.1 | Very low | 26.5 | Very low | 159 Ų | 159 | 109.6 Ų | 109.6 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | trans | -53.3 | 115 | -179.4 | -66 | -179.8 | 156 | 0 | 0 | 110.7 | F172 | E170-F172 HydrophobicContact CB-CE2 4.36Å; E170-F172 PolarHBondContact O-N 2.85Å | ||
| 171 | C | 27.5 | Very low | 26.5 | Very low | 58 Ų | 58 | 107 Ų | 107 | 39% | 0.392 | 65% | 0.649 | S | S | . | * | trans | -75.4 | 109.2 | 170.3 | -74.3 | 0 | 0 | 0 | 0 | 109.2 | K169 | K169-C171 PolarHBondContact O-N 3.46Å; K169-C171 VanDerWaalsContact O-N 3.16Å | ||
| 172 | F | 26.5 | Very low | 26.4 | Very low | 143 Ų | 143 | 106.4 Ų | 106.4 | 63% | 0.627 | 64% | 0.642 | S | S | * | * | trans | -78.3 | 124.9 | 167.5 | -84.8 | -95.6 | 0 | 0 | 0 | 109.7 | E170 P174 V189 | E170-F172 HydrophobicContact CB-CE2 4.36Å; E170-F172 PolarHBondContact O-N 2.85Å; F172-P174 WeakPolarHBondContact O-CD 3.14Å; F172-V189 HydrophobicContact CE1-CG2 4.38Å | ||
| 173 | V | 27.8 | Very low | 26.3 | Very low | 101 Ų | 101 | 110.6 Ų | 110.6 | 61% | 0.612 | 65% | 0.65 | S | S | * | * | trans | -100.5 | 98.8 | 170.7 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | V175 | V173-V175 HydrophobicContact CG1-CG2 4.32Å; V173-V175 PolarHBondContact O-N 2.78Å | ||
| 174 | P | 25.9 | Very low | 25.9 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | trans | -70.7 | 117.8 | 166.6 | 27.6 | -30.6 | 0 | 0 | 0 | 108.9 | F172 | F172-P174 WeakPolarHBondContact O-CD 3.14Š| ||
| 175 | V | 27.2 | Very low | 25.6 | Very low | 135 Ų | 135 | 114.3 Ų | 114.3 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | -89.4 | 102.8 | 171.7 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | V173 | V173-V175 HydrophobicContact CG1-CG2 4.32Å; V173-V175 PolarHBondContact O-N 2.78Å | ||
| 176 | S | 24.5 | Very low | 25.5 | Very low | 124 Ų | 124 | 116.6 Ų | 116.6 | 87% | 0.867 | 66% | 0.657 | S | S | * | * | trans | -91.4 | 111.7 | 170 | 56.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 177 | G | 27.5 | Very low | 25.3 | Very low | 46 Ų | 46 | 116.3 Ų | 116.3 | 47% | 0.474 | 66% | 0.66 | S | S | . | * | trans | -137 | 158.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 178 | P | 23.7 | Very low | 25.1 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | trans | -68.2 | 136.3 | -173.3 | 25.1 | -32.7 | 0 | 0 | 0 | 113.4 | S180 | P178-S180 VanDerWaalsContact C-N 3.31Å; P178-S180 PolarHBondContact O-N 2.99Å | ||
| 179 | A | 26.1 | Very low | 24.8 | Very low | 91 Ų | 91 | 121.6 Ų | 121.6 | 75% | 0.752 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -59.7 | 80.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D181 | A179-D181 VanDerWaalsContact C-N 3.35Å; A179-D181 WeakPolarHBondContact CA-OD2 3.34Å; A179-D181 WeakPolarHBondContact CB-OD2 3.47Å |
| 180 | S | 24.9 | Very low | 24.4 | Very low | 121 Ų | 121 | 117.7 Ų | 117.7 | 85% | 0.846 | 67% | 0.669 | S | S | * | * | trans | -116.3 | 44.4 | 133.2 | 47.7 | 0 | 0 | 0 | 0 | 108.1 | P178 N182 | P178-S180 VanDerWaalsContact C-N 3.31Å; P178-S180 PolarHBondContact O-N 2.99Å; S180-N182 PolarHBondContact O-N 3.08Å | ||
| 181 | D | 23.6 | Very low | 24.1 | Very low | 86 Ų | 86 | 113.4 Ų | 113.4 | 46% | 0.46 | 67% | 0.668 | S | S | . | * | trans | -63.9 | 100.6 | -177.9 | -74.3 | -33.8 | 0 | 0 | 0 | 111.1 | A179 F183 | A179-D181 VanDerWaalsContact C-N 3.35Å; A179-D181 WeakPolarHBondContact CA-OD2 3.34Å; A179-D181 WeakPolarHBondContact CB-OD2 3.47Å; D181-F183 HydrophobicContact CB-CB 4.36Å; D181-F183 HydrophobicContact CB-CD2 3.95Å; D181-F183 PolarHBondContact O-N 3.28Å; D181-F183 VanDerWaalsContact O-N 3.1Å | ||
| 182 | N | 23.6 | Very low | 23.8 | Very low | 118 Ų | 118 | 115.2 Ų | 115.2 | 63% | 0.631 | 69% | 0.687 | S | S | * | * | trans | -77 | 84 | 148.4 | -93.6 | 7.7 | 0 | 0 | 0 | 107.8 | S180 Y184 E229 | S180-N182 PolarHBondContact O-N 3.08Å; N182-Y184 PolarHBondContact O-N 3.26Å; N182-E229 WeakPolarHBondContact CB-OE1 2.83Å; N182-E229 PolarHBondContact ND2-OE1 3.01Å | ||
| 183 | F | 23.1 | Very low | 23.6 | Very low | 166 Ų | 166 | 115.1 Ų | 115.1 | 73% | 0.728 | 70% | 0.697 | S | S | * | * | trans | -82.7 | 74.2 | 174.8 | -134.8 | -88.9 | 0 | 0 | 0 | 108.8 | D181 | D181-F183 HydrophobicContact CB-CB 4.36Å; D181-F183 HydrophobicContact CB-CD2 3.95Å; D181-F183 PolarHBondContact O-N 3.28Å; D181-F183 VanDerWaalsContact O-N 3.1Å | ||
| 184 | Y | 20.5 | Very low | 23.3 | Very low | 191 Ų | 191 | 114.6 Ų | 114.6 | 75% | 0.749 | 70% | 0.704 | S | S | * | * | trans | -143.1 | 125.5 | 171.4 | -74.3 | -76.1 | 0 | 0 | 0 | 112.8 | N182 | N182-Y184 PolarHBondContact O-N 3.26Š| ||
| 185 | E | 21.5 | Very low | 23.1 | Very low | 165 Ų | 165 | 121.5 Ų | 121.5 | 77% | 0.771 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 78 | 79.2 | 153 | -64.8 | -178.1 | 163.5 | 0 | 0 | 119.3 | ||
| 186 | N | 24.3 | Very low | 22.8 | Very low | 144 Ų | 144 | 119.7 Ų | 119.7 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | 151.2 | 73.4 | 111 | -76.7 | -47.8 | 0 | 0 | 0 | 111.3 | M188 | N186-M188 PolarHBondContact O-N 3.16Š| |||
| 187 | V | 21.6 | Very low | 22.7 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | trans | -66.9 | 101.3 | 147.5 | 175.7 | 0 | 0 | 0 | 0 | 106.6 | V189 | V187-V189 HydrophobicContact CG1-CB 4.05Å; V187-V189 HydrophobicContact CG1-CG2 3.37Å | ||
| 188 | M | 22.3 | Very low | 22.5 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 54% | 0.537 | 72% | 0.724 | S | S | . | * | trans | -93 | 84.8 | 155 | -96.2 | -157.3 | -69.1 | 0 | 0 | 108 | Q143 N186 | Q143-M188 HydrophobicContact CG-CE 3.68Å; Q143-M188 HydrophobicContact CG-SD 3.98Å; Q143-M188 PolarHBondContact NE2-SD 3.32Å; Q143-M188 VanDerWaalsContact NE2-SD 3.44Å; N186-M188 PolarHBondContact O-N 3.16Å | ||
| 189 | V | 21.8 | Very low | 22.4 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | trans | -79.3 | 119.7 | 153.7 | 168.2 | 0 | 0 | 0 | 0 | 106.4 | F172 V187 | F172-V189 HydrophobicContact CE1-CG2 4.38Å; V187-V189 HydrophobicContact CG1-CB 4.05Å; V187-V189 HydrophobicContact CG1-CG2 3.37Å | ||
| 190 | S | 22.5 | Very low | 22.2 | Very low | 62 Ų | 62 | 129 Ų | 129 | 43% | 0.434 | 73% | 0.729 | S | S | . | * | trans | -150.7 | 117.1 | 162.5 | 67 | 0 | 0 | 0 | 0 | 107.3 | Q143 | Q143-S190 PolarHBondContact NE2-OG 3.14Š| ||
| 191 | G | 20.7 | Very low | 22 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | cis | 163.9 | 124.2 | 3.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 192 | A | 20.7 | Very low | 21.8 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 79% | 0.793 | 74% | 0.742 | S | S | * | * | trans | 149 | 106.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 193 | V | 22.3 | Very low | 21.6 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | S | Bend | -167.8 | 144 | 67.6 | 169.6 | 0 | 0 | 0 | 0 | 110 | |||
| 194 | A | 21.9 | Very low | 21.5 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 56.5 | 116 | 161.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 195 | R | 20.9 | Very low | 21.6 | Very low | 252 Ų | 252 | 128.3 Ų | 128.3 | 95% | 0.951 | 76% | 0.758 | S | S | * | * | trans | -87.6 | 106.5 | 157.9 | -80.3 | 179.3 | 171.4 | 177.8 | -2.6 | 109.9 | ||||
| 196 | S | 21.2 | Very low | 21.5 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | 176.5 | 96.7 | 153.3 | 53.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 197 | E | 23.1 | Very low | 21.3 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | 176.7 | 124.2 | 91.6 | -84.9 | 164.6 | 178.3 | 0 | 0 | 104.6 | |||||
| 198 | A | 21.7 | Very low | 21.2 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | 29 | 114 | 112.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 199 | S | 21.8 | Very low | 21.2 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | -172.1 | 130.5 | 87.5 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 200 | Q | 21.6 | Very low | 21.1 | Very low | 190 Ų | 190 | 142.3 Ų | 142.3 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -8.4 | 131.1 | 146.6 | -66 | 167.3 | -25.6 | 0 | 0 | 118.1 | ||||
| 201 | V | 20.8 | Very low | 21.1 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 92% | 0.915 | 82% | 0.815 | S | S | * | * | trans | -144.6 | 135.1 | 139.2 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 202 | S | 19.9 | Very low | 21.1 | Very low | 95 Ų | 95 | 151.9 Ų | 151.9 | 66% | 0.664 | 82% | 0.821 | S | S | * | * | trans | -123.8 | 156.8 | -169.9 | 56 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 203 | V | 20.4 | Very low | 21.1 | Very low | 136 Ų | 136 | 152.2 Ų | 152.2 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | 78.4 | 138.3 | 156 | -147.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 204 | S | 20.9 | Very low | 21.1 | Very low | 112 Ų | 112 | 151.2 Ų | 151.2 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | -166 | 152.3 | 52.8 | 58.5 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 205 | E | 21 | Very low | 21 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -70 | 135.8 | 171 | -64.3 | 173 | 134 | 0 | 0 | 112.1 | ||||
| 206 | H | 19.8 | Very low | 21.1 | Very low | 185 Ų | 185 | 149.8 Ų | 149.8 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | 163.5 | 111 | 148.7 | -83.5 | -2.5 | 0 | 0 | 0 | 106.7 | ||||
| 207 | S | 21.1 | Very low | 21 | Very low | 111 Ų | 111 | 157.1 Ų | 157.1 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | 168.9 | 142.6 | 69.8 | 48.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 208 | R | 19.6 | Very low | 21.1 | Very low | 247 Ų | 247 | 154.3 Ų | 154.3 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | trans | 61.8 | 107 | 152.5 | -65.9 | -174.3 | 178.9 | -171.1 | 0.3 | 121.4 | ||||
| 209 | K | 20.7 | Very low | 21.3 | Very low | 189 Ų | 189 | 154.2 Ų | 154.2 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -37.2 | 133 | 158.4 | -71.5 | 173.5 | 169.5 | -177.5 | 0 | 115.5 | ||||
| 210 | F | 20.4 | Very low | 21.6 | Very low | 203 Ų | 203 | 156.6 Ų | 156.6 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -130.8 | 111.5 | 143.9 | -101.3 | -89.2 | 0 | 0 | 0 | 108 | ||||
| 211 | E | 21.7 | Very low | 21.9 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -89 | 129.7 | 166.9 | -79.4 | 178 | 166.4 | 0 | 0 | 108.9 | ||||
| 212 | L | 20.8 | Very low | 22.6 | Very low | 161 Ų | 161 | 148.2 Ų | 148.2 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -141.7 | 150.8 | 160.9 | -86.7 | 171.7 | 0 | 0 | 0 | 109.6 | ||||
| 213 | P | 21.3 | Very low | 23.3 | Very low | 103 Ų | 103 | 153.8 Ų | 153.8 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | -97 | 155 | -131.8 | 35.8 | -36 | 0 | 0 | 0 | 114.8 | V215 | P213-V215 PolarHBondContact O-N 3.39Š| ||
| 214 | S | 22.4 | Very low | 24.2 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -56.9 | 91.8 | 169.1 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 215 | V | 20.5 | Very low | 24.8 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | trans | -149.3 | 81.7 | 162.4 | -167 | 0 | 0 | 0 | 0 | 112 | P213 | P213-V215 PolarHBondContact O-N 3.39Š| ||
| 216 | F | 22 | Very low | 25.5 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -142 | 93.9 | 148.8 | -86.7 | -79.5 | 0 | 0 | 0 | 108.9 | ||||
| 217 | R | 20.2 | Very low | 26.3 | Very low | 251 Ų | 251 | 139.7 Ų | 139.7 | 95% | 0.947 | 71% | 0.708 | S | S | * | * | trans | -86 | 106.3 | 161.6 | -75.4 | -176.2 | 176.6 | -176.7 | -0 | 107.4 | ||||
| 218 | T | 25.2 | Very low | 27 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | trans | -87.6 | 134.2 | 160 | 38.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 219 | P | 25.6 | Very low | 27.9 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 62% | 0.623 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -74.4 | 144.8 | 175.4 | 33.7 | -31.2 | 0 | 0 | 0 | 107.7 | ||
| 220 | F | 26.7 | Very low | 28.7 | Very low | 159 Ų | 159 | 123.2 Ų | 123.2 | 70% | 0.697 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 86.7 | 84.1 | 176.6 | -41.8 | -70.6 | 0 | 0 | 0 | 116.9 | L222 K415 | F220-L222 PolarHBondContact O-N 2.94Å; F220-L222 VanDerWaalsContact O-N 3.15Å; F220-K415 VanDerWaalsContact CZ-NZ 3.32Å |
| 221 | G | 28.2 | Very low | 29.4 | Very low | 62 Ų | 62 | 117.1 Ų | 117.1 | 64% | 0.639 | 65% | 0.647 | S | S | * | * | 83.7 | -3.5 | 122.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | K223 | G221-K223 PolarHBondContact O-N 3.35Š| |||
| 222 | L | 36.4 | Very low | 30.1 | Very low | 102 Ų | 102 | 112.3 Ų | 112.3 | 53% | 0.534 | 63% | 0.629 | S | S | . | * | trans | -94.2 | 69.7 | 175 | -65.6 | 174.5 | 0 | 0 | 0 | 111 | F220 F227 | F220-L222 PolarHBondContact O-N 2.94Å; F220-L222 VanDerWaalsContact O-N 3.15Å; L222-F227 HydrophobicContact CD1-CD1 4.23Å; L222-F227 HydrophobicContact CD1-CG 4.49Å; L222-F227 HydrophobicContact CD2-CB 4.4Å; L222-F227 HydrophobicContact CD2-CD1 4.1Å; L222-F227 HydrophobicContact CD2-CD2 3.6Å; L222-F227 HydrophobicContact CD2-CE1 4.23Å; L222-F227 HydrophobicContact CD2-CE2 3.78Å; L222-F227 HydrophobicContact CD2-CG 3.75Å; L222-F227 HydrophobicContact CD2-CZ 4.05Å | ||
| 223 | K | 33.1 | Very low | 30.7 | Very low | 212 Ų | 212 | 109.1 Ų | 109.1 | 92% | 0.922 | 62% | 0.618 | S | S | * | * | trans | -100.3 | 17.5 | 172.3 | -77.4 | -166.1 | 178.2 | -174.7 | 0 | 113.4 | G221 | G221-K223 PolarHBondContact O-N 3.35Š| ||
| 224 | S | 39.9 | Very low | 31.2 | Very low | 47 Ų | 47 | 108.5 Ų | 108.5 | 33% | 0.329 | 62% | 0.615 | S | S | . | * | trans | -101.8 | 124.7 | 174.3 | 66 | 0 | 0 | 0 | 0 | 110.2 | R226 F227 | S224-R226 PolarHBondContact O-N 2.88Å; S224-F227 PolarHBondContact O-N 2.91Å | ||
| 225 | G | 34.6 | Very low | 31.8 | Very low | 41 Ų | 41 | 105.4 Ų | 105.4 | 42% | 0.423 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -49.6 | -24.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | F227 A228 E229 | G225-F227 PolarHBondContact O-N 3.06Å; G225-F227 VanDerWaalsContact O-N 3.12Å; G225-A228 WeakPolarHBondContact O-CB 3.05Å; G225-A228 PolarHBondContact O-N 3.15Å; G225-E229 PolarHBondContact O-N 2.9Å; G225-E229 VanDerWaalsContact O-N 3.16Å |
| 226 | R | 35.4 | Very low | 32.4 | Very low | 190 Ų | 190 | 101.6 Ų | 101.6 | 72% | 0.717 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -56 | -25.4 | 174.7 | -67.1 | -169.3 | 174.8 | -171.7 | -2.5 | 116.1 | S224 L239 | S224-R226 PolarHBondContact O-N 2.88Å; R226-L239 WeakPolarHBondContact O-CD1 3.41Å |
| 227 | F | 36.7 | Very low | 33.2 | Very low | 34 Ų | 34 | 96.9 Ų | 96.9 | 15% | 0.149 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -86.4 | -26.3 | 175.8 | -105.7 | -92.9 | 0 | 0 | 0 | 112.9 | L222 S224 G225 E229 L239 Q243 | L222-F227 HydrophobicContact CD1-CD1 4.23Å; L222-F227 HydrophobicContact CD1-CG 4.49Å; L222-F227 HydrophobicContact CD2-CB 4.4Å; L222-F227 HydrophobicContact CD2-CD1 4.1Å; L222-F227 HydrophobicContact CD2-CD2 3.6Å; L222-F227 HydrophobicContact CD2-CE1 4.23Å; L222-F227 HydrophobicContact CD2-CE2 3.78Å; L222-F227 HydrophobicContact CD2-CG 3.75Å; L222-F227 HydrophobicContact CD2-CZ 4.05Å; S224-F227 PolarHBondContact O-N 2.91Å; G225-F227 PolarHBondContact O-N 3.06Å; G225-F227 VanDerWaalsContact O-N 3.12Å; F227-E229 VanDerWaalsContact C-N 3.29Å; F227-L239 HydrophobicContact CD2-CB 4.31Å; F227-L239 HydrophobicContact CE1-CB 4.05Å; F227-L239 HydrophobicContact CE2-CB 3.63Å; F227-L239 HydrophobicContact CZ-CB 3.53Å; F227-Q243 HydrophobicContact CE2-CG 4.22Å; F227-Q243 VanDerWaalsContact CE2-NE2 3.27Å |
| 228 | A | 36 | Very low | 34.2 | Very low | 95 Ų | 95 | 90.5 Ų | 90.5 | 79% | 0.785 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.4 | -25.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G225 G230 | G225-A228 WeakPolarHBondContact O-CB 3.05Å; G225-A228 PolarHBondContact O-N 3.15Å; A228-G230 VanDerWaalsContact C-N 3.35Å |
| 229 | E | 38.1 | Very low | 34.8 | Very low | 91 Ų | 91 | 87.2 Ų | 87.2 | 43% | 0.425 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -82.4 | -7.7 | 175.9 | -71.1 | 160.9 | -169.3 | 0 | 0 | 113.6 | N182 G225 F227 G231 | N182-E229 WeakPolarHBondContact CB-OE1 2.83Å; N182-E229 PolarHBondContact ND2-OE1 3.01Å; G225-E229 PolarHBondContact O-N 2.9Å; G225-E229 VanDerWaalsContact O-N 3.16Å; F227-E229 VanDerWaalsContact C-N 3.29Å; E229-G231 VanDerWaalsContact C-N 3.26Å; E229-G231 PolarHBondContact O-N 3.16Å |
| 230 | G | 36.4 | Very low | 35.7 | Very low | 15 Ų | 15 | 89 Ų | 89 | 16% | 0.155 | 51% | 0.511 | C | S | . | . | trans | -70.9 | 77 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A228 T232 S236 | A228-G230 VanDerWaalsContact C-N 3.35Å; G230-T232 PolarHBondContact O-N 3.15Å; G230-S236 PolarHBondContact O-OG 2.95Å | ||
| 231 | G | 37 | Very low | 36.3 | Very low | 76 Ų | 76 | 86.5 Ų | 86.5 | 78% | 0.784 | 50% | 0.504 | S | S | * | . | trans | -62.8 | 0.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | E229 | E229-G231 VanDerWaalsContact C-N 3.26Å; E229-G231 PolarHBondContact O-N 3.16Å | ||
| 232 | T | 36 | Very low | 36.9 | Very low | 69 Ų | 69 | 86.2 Ų | 86.2 | 42% | 0.423 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -141.7 | 154.9 | 176.9 | 61.8 | 0 | 0 | 0 | 0 | 112.9 | G230 C234 T235 S236 | G230-T232 PolarHBondContact O-N 3.15Å; T232-C234 PolarHBondContact O-N 3.04Å; T232-T235 PolarHBondContact N-OG1 3.29Å; T232-T235 PolarHBondContact O-N 3.33Å; T232-T235 VanDerWaalsContact O-N 3.08Å; T232-T235 PolarHBondContact O-OG1 3Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.47Å; T232-T235 PolarHBondContact OG1-N 3.09Å; T232-T235 PolarHBondContact OG1-OG1 3.33Å; T232-S236 PolarHBondContact O-N 3.24Å; T232-S236 PolarHBondContact O-OG 3.43Å |
| 233 | P | 33.6 | Very low | 37.2 | Very low | 95 Ų | 95 | 84 Ų | 84 | 62% | 0.617 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -54.3 | -38.8 | 172.9 | -25.7 | 34.1 | 0 | 0 | 0 | 112.9 | T235 S236 D237 | P233-T235 PolarHBondContact O-N 3.15Å; P233-S236 WeakPolarHBondContact O-CB 3.32Å; P233-S236 PolarHBondContact O-N 2.78Å; P233-D237 WeakPolarHBondContact O-CB 3.47Å; P233-D237 VanDerWaalsContact O-CG 3.28Å; P233-D237 PolarHBondContact O-N 3.37Å |
| 234 | C | 31.6 | Very low | 37.4 | Very low | 89 Ų | 89 | 77.4 Ų | 77.4 | 60% | 0.601 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.2 | -37.7 | 176.9 | -62.2 | 0 | 0 | 0 | 0 | 113 | T232 L238 | T232-C234 PolarHBondContact O-N 3.04Å; C234-L238 WeakPolarHBondContact O-CB 3.32Å; C234-L238 VanDerWaalsContact O-CG 3.25Å; C234-L238 WeakPolarHBondContact O-CG 3.39Å; C234-L238 PolarHBondContact O-N 2.98Å |
| 235 | T | 34.7 | Very low | 37.4 | Very low | 54 Ų | 54 | 78 Ų | 78 | 33% | 0.331 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.1 | -35.8 | 176.5 | 47.7 | 0 | 0 | 0 | 0 | 111.3 | T232 P233 L238 L239 | T232-T235 PolarHBondContact N-OG1 3.29Å; T232-T235 PolarHBondContact O-N 3.33Å; T232-T235 VanDerWaalsContact O-N 3.08Å; T232-T235 PolarHBondContact O-OG1 3Å; T232-T235 WeakPolarHBondContact OG1-CG2 3.47Å; T232-T235 PolarHBondContact OG1-N 3.09Å; T232-T235 PolarHBondContact OG1-OG1 3.33Å; P233-T235 PolarHBondContact O-N 3.15Å; T235-L238 PolarHBondContact O-N 3.03Å; T235-L239 VanDerWaalsContact O-CB 3.31Å; T235-L239 WeakPolarHBondContact O-CB 3.48Å; T235-L239 WeakPolarHBondContact O-CD1 3.33Å; T235-L239 WeakPolarHBondContact O-CG 3.46Å; T235-L239 PolarHBondContact O-N 3.44Å |
| 236 | S | 33.7 | Very low | 37.5 | Very low | 38 Ų | 38 | 80.5 Ų | 80.5 | 27% | 0.266 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 171.9 | -60 | 0 | 0 | 0 | 0 | 112 | G230 T232 P233 L239 Y240 | G230-S236 PolarHBondContact O-OG 2.95Å; T232-S236 PolarHBondContact O-N 3.24Å; T232-S236 PolarHBondContact O-OG 3.43Å; P233-S236 WeakPolarHBondContact O-CB 3.32Å; P233-S236 PolarHBondContact O-N 2.78Å; S236-L239 PolarHBondContact O-N 2.93Å; S236-Y240 VanDerWaalsContact O-CB 3.26Å; S236-Y240 WeakPolarHBondContact O-CB 3.4Å; S236-Y240 PolarHBondContact O-N 3.38Å |
| 237 | D | 38.5 | Very low | 37.6 | Very low | 97 Ų | 97 | 80.5 Ų | 80.5 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.5 | -39 | 177.4 | -74.5 | -18.4 | 0 | 0 | 0 | 112.3 | P233 Y240 L241 | P233-D237 WeakPolarHBondContact O-CB 3.47Å; P233-D237 VanDerWaalsContact O-CG 3.28Å; P233-D237 PolarHBondContact O-N 3.37Å; D237-Y240 PolarHBondContact O-N 3Å; D237-L241 WeakPolarHBondContact O-CB 3.2Å; D237-L241 VanDerWaalsContact O-CG 3.25Å; D237-L241 WeakPolarHBondContact O-CG 3.31Å; D237-L241 PolarHBondContact O-N 2.96Å |
| 238 | L | 40.3 | Very low | 37.4 | Very low | 117 Ų | 117 | 82.4 Ų | 82.4 | 61% | 0.613 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.1 | -39.3 | 174.1 | -76.4 | 168.5 | 0 | 0 | 0 | 112.2 | C234 T235 Y240 S242 | C234-L238 WeakPolarHBondContact O-CB 3.32Å; C234-L238 VanDerWaalsContact O-CG 3.25Å; C234-L238 WeakPolarHBondContact O-CG 3.39Å; C234-L238 PolarHBondContact O-N 2.98Å; T235-L238 PolarHBondContact O-N 3.03Å; L238-Y240 VanDerWaalsContact C-N 3.31Å; L238-S242 VanDerWaalsContact O-CB 3.28Å; L238-S242 WeakPolarHBondContact O-CB 3.45Å; L238-S242 PolarHBondContact O-N 3.32Å; L238-S242 PolarHBondContact O-OG 3.46Å |
| 239 | L | 39.4 | Very low | 37.4 | Very low | 52 Ų | 52 | 81.1 Ų | 81.1 | 27% | 0.272 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 173.6 | -74.2 | 168.3 | 0 | 0 | 0 | 111.2 | R226 F227 T235 S236 S242 Q243 | R226-L239 WeakPolarHBondContact O-CD1 3.41Å; F227-L239 HydrophobicContact CD2-CB 4.31Å; F227-L239 HydrophobicContact CE1-CB 4.05Å; F227-L239 HydrophobicContact CE2-CB 3.63Å; F227-L239 HydrophobicContact CZ-CB 3.53Å; T235-L239 VanDerWaalsContact O-CB 3.31Å; T235-L239 WeakPolarHBondContact O-CB 3.48Å; T235-L239 WeakPolarHBondContact O-CD1 3.33Å; T235-L239 WeakPolarHBondContact O-CG 3.46Å; T235-L239 PolarHBondContact O-N 3.44Å; S236-L239 PolarHBondContact O-N 2.93Å; L239-S242 VanDerWaalsContact CA-OG 3.32Å; L239-S242 WeakPolarHBondContact CA-OG 3.26Å; L239-S242 PolarHBondContact O-OG 3.34Å; L239-Q243 WeakPolarHBondContact O-CB 3.28Å; L239-Q243 WeakPolarHBondContact O-CG 3.38Å; L239-Q243 PolarHBondContact O-N 3.49Å |
| 240 | Y | 43 | Very low | 37.1 | Very low | 135 Ų | 135 | 80.9 Ų | 80.9 | 53% | 0.529 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.4 | -48.1 | 175.5 | -178.7 | -107.4 | 0 | 0 | 0 | 111.9 | S236 D237 L238 S242 Q243 L244 | S236-Y240 VanDerWaalsContact O-CB 3.26Å; S236-Y240 WeakPolarHBondContact O-CB 3.4Å; S236-Y240 PolarHBondContact O-N 3.38Å; D237-Y240 PolarHBondContact O-N 3Å; L238-Y240 VanDerWaalsContact C-N 3.31Å; Y240-S242 PolarHBondContact O-N 2.85Å; Y240-Q243 PolarHBondContact O-N 2.9Å; Y240-L244 HydrophobicContact CD1-CD1 3.78Å; Y240-L244 HydrophobicContact CE1-CD1 3.34Å; Y240-L244 HydrophobicContact CE1-CG 4.39Å; Y240-L244 HydrophobicContact CE2-CD1 4.31Å; Y240-L244 HydrophobicContact CG-CD1 4.42Å; Y240-L244 WeakPolarHBondContact O-CG 3.41Å; Y240-L244 PolarHBondContact O-N 3.46Å |
| 241 | L | 40.2 | Very low | 37 | Very low | 105 Ų | 105 | 86.3 Ų | 86.3 | 55% | 0.55 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 177.6 | -71.5 | 169.4 | 0 | 0 | 0 | 112.6 | D237 S245 | D237-L241 WeakPolarHBondContact O-CB 3.2Å; D237-L241 VanDerWaalsContact O-CG 3.25Å; D237-L241 WeakPolarHBondContact O-CG 3.31Å; D237-L241 PolarHBondContact O-N 2.96Å; L241-S245 PolarHBondContact O-N 2.92Å |
| 242 | S | 41 | Very low | 36.6 | Very low | 56 Ų | 56 | 84.8 Ų | 84.8 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.1 | -35.1 | 175.2 | 58.6 | 0 | 0 | 0 | 0 | 112.9 | L238 L239 Y240 S245 S246 | L238-S242 VanDerWaalsContact O-CB 3.28Å; L238-S242 WeakPolarHBondContact O-CB 3.45Å; L238-S242 PolarHBondContact O-N 3.32Å; L238-S242 PolarHBondContact O-OG 3.46Å; L239-S242 VanDerWaalsContact CA-OG 3.32Å; L239-S242 WeakPolarHBondContact CA-OG 3.26Å; L239-S242 PolarHBondContact O-OG 3.34Å; Y240-S242 PolarHBondContact O-N 2.85Å; S242-S245 PolarHBondContact O-N 2.84Å; S242-S245 PolarHBondContact O-OG 3.11Å; S242-S245 VanDerWaalsContact O-OG 3.11Å; S242-S246 WeakPolarHBondContact O-CB 3.25Å; S242-S246 PolarHBondContact O-N 3.32Å; S242-S246 PolarHBondContact O-OG 3.46Å |
| 243 | Q | 42.3 | Very low | 36.5 | Very low | 56 Ų | 56 | 88.6 Ų | 88.6 | 26% | 0.262 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 172.4 | -78.2 | -170.5 | -5.7 | 0 | 0 | 112 | F227 L239 Y240 S246 R247 | F227-Q243 HydrophobicContact CE2-CG 4.22Å; F227-Q243 VanDerWaalsContact CE2-NE2 3.27Å; L239-Q243 WeakPolarHBondContact O-CB 3.28Å; L239-Q243 WeakPolarHBondContact O-CG 3.38Å; L239-Q243 PolarHBondContact O-N 3.49Å; Y240-Q243 PolarHBondContact O-N 2.9Å; Q243-S246 WeakPolarHBondContact CA-OG 3.25Å; Q243-S246 PolarHBondContact O-N 2.95Å; Q243-S246 PolarHBondContact O-OG 3.38Å; Q243-R247 WeakPolarHBondContact O-CG 3.37Å; Q243-R247 PolarHBondContact O-N 2.99Å |
| 244 | L | 37.5 | Very low | 36.4 | Very low | 74 Ų | 74 | 92.6 Ų | 92.6 | 39% | 0.387 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 173.8 | -76.8 | 169.9 | 0 | 0 | 0 | 111.7 | Y240 S246 R247 D248 | Y240-L244 HydrophobicContact CD1-CD1 3.78Å; Y240-L244 HydrophobicContact CE1-CD1 3.34Å; Y240-L244 HydrophobicContact CE1-CG 4.39Å; Y240-L244 HydrophobicContact CE2-CD1 4.31Å; Y240-L244 HydrophobicContact CG-CD1 4.42Å; Y240-L244 WeakPolarHBondContact O-CG 3.41Å; Y240-L244 PolarHBondContact O-N 3.46Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-S246 PolarHBondContact O-N 2.83Å; L244-R247 PolarHBondContact O-N 3.41Å; L244-D248 PolarHBondContact O-N 3.49Å |
| 245 | S | 38.7 | Very low | 36.4 | Very low | 59 Ų | 59 | 91 Ų | 91 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.5 | -27.7 | 178.4 | 75.8 | 0 | 0 | 0 | 0 | 114 | L241 S242 | L241-S245 PolarHBondContact O-N 2.92Å; S242-S245 PolarHBondContact O-N 2.84Å; S242-S245 PolarHBondContact O-OG 3.11Å; S242-S245 VanDerWaalsContact O-OG 3.11Å |
| 246 | S | 37.6 | Very low | 36.3 | Very low | 93 Ų | 93 | 92 Ų | 92 | 65% | 0.65 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -74.9 | -22.8 | 176.5 | 73.3 | 0 | 0 | 0 | 0 | 114 | S242 Q243 L244 | S242-S246 WeakPolarHBondContact O-CB 3.25Å; S242-S246 PolarHBondContact O-N 3.32Å; S242-S246 PolarHBondContact O-OG 3.46Å; Q243-S246 WeakPolarHBondContact CA-OG 3.25Å; Q243-S246 PolarHBondContact O-N 2.95Å; Q243-S246 PolarHBondContact O-OG 3.38Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-S246 PolarHBondContact O-N 2.83Å |
| 247 | R | 37.8 | Very low | 36.1 | Very low | 190 Ų | 190 | 95 Ų | 95 | 72% | 0.717 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -88.1 | -39.9 | -178.4 | -76.8 | -178 | 177 | 176.7 | 3.9 | 112.7 | Q243 L244 | Q243-R247 WeakPolarHBondContact O-CG 3.37Å; Q243-R247 PolarHBondContact O-N 2.99Å; L244-R247 PolarHBondContact O-N 3.41Å |
| 248 | D | 32.9 | Very low | 35.5 | Very low | 74 Ų | 74 | 97.3 Ų | 97.3 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | trans | -146.4 | 113.1 | 173.5 | -167.1 | -29.5 | 0 | 0 | 0 | 108.3 | L244 E250 E251 P252 | L244-D248 PolarHBondContact O-N 3.49Å; D248-E250 PolarHBondContact O-N 3.37Å; D248-E250 PolarHBondContact OD1-N 3.36Å; D248-E251 HydrophobicContact CB-CB 4Å; D248-E251 PolarHBondContact OD1-N 2.93Å; D248-P252 WeakPolarHBondContact O-CD 3.39Å | ||
| 249 | A | 35.8 | Very low | 35 | Very low | 69 Ų | 69 | 94.3 Ų | 94.3 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -71.9 | -19.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 250 | E | 31.5 | Very low | 34.4 | Very low | 86 Ų | 86 | 96.6 Ų | 96.6 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -93.6 | -26.2 | -175.9 | -80 | -65.4 | 128.6 | 0 | 0 | 113 | D248 R253 R254 | D248-E250 PolarHBondContact O-N 3.37Å; D248-E250 PolarHBondContact OD1-N 3.36Å; E250-R253 WeakPolarHBondContact O-CB 3.21Å; E250-R253 PolarHBondContact O-N 3.49Å; E250-R253 IonicContact OE1-CZ 3.96Å; E250-R253 IonicContact OE1-NH1 2.92Å; E250-R253 PolarHBondContact OE1-NH1 2.86Å; E250-R254 WeakPolarHBondContact O-CG 3.48Å; E250-R254 PolarHBondContact O-N 3.16Å |
| 251 | E | 33.3 | Very low | 33.7 | Very low | 129 Ų | 129 | 98.6 Ų | 98.6 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.9 | -41.4 | -177.5 | -157.1 | 158.1 | -155.7 | 0 | 0 | 114 | D248 R253 R254 A255 | D248-E251 HydrophobicContact CB-CB 4Å; D248-E251 PolarHBondContact OD1-N 2.93Å; E251-R253 VanDerWaalsContact C-N 3.31Å; E251-R253 PolarHBondContact O-N 2.72Å; E251-R254 PolarHBondContact O-N 3.39Å; E251-A255 PolarHBondContact O-N 2.76Å |
| 252 | P | 29.3 | Very low | 33.4 | Very low | 43 Ų | 43 | 101.2 Ų | 101.2 | 28% | 0.279 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.4 | -33.7 | 171.2 | -17.3 | 28.1 | 0 | 0 | 0 | 112.7 | D248 A255 Q256 | D248-P252 WeakPolarHBondContact O-CD 3.39Å; P252-A255 PolarHBondContact O-N 2.81Å; P252-Q256 WeakPolarHBondContact O-CG 3.23Å; P252-Q256 PolarHBondContact O-N 3.48Å |
| 253 | R | 33.9 | Very low | 32.9 | Very low | 150 Ų | 150 | 105.4 Ų | 105.4 | 57% | 0.566 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.7 | -38 | 175.6 | -77.6 | -179.7 | 170.5 | 165.2 | -1.3 | 111.6 | E250 E251 Q256 | E250-R253 WeakPolarHBondContact O-CB 3.21Å; E250-R253 PolarHBondContact O-N 3.49Å; E250-R253 IonicContact OE1-CZ 3.96Å; E250-R253 IonicContact OE1-NH1 2.92Å; E250-R253 PolarHBondContact OE1-NH1 2.86Å; E251-R253 VanDerWaalsContact C-N 3.31Å; E251-R253 PolarHBondContact O-N 2.72Å; R253-Q256 WeakPolarHBondContact O-CB 2.97Å; R253-Q256 PolarHBondContact O-N 2.98Å |
| 254 | R | 32.4 | Very low | 32.4 | Very low | 179 Ų | 179 | 105.8 Ų | 105.8 | 68% | 0.675 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.7 | -36.6 | 173.6 | -71.4 | 178.6 | -178.5 | -179.2 | 1.1 | 112 | E250 E251 Q256 S257 | E250-R254 WeakPolarHBondContact O-CG 3.48Å; E250-R254 PolarHBondContact O-N 3.16Å; E251-R254 PolarHBondContact O-N 3.39Å; R254-Q256 PolarHBondContact O-N 2.95Å; R254-S257 WeakPolarHBondContact O-CB 3.28Å; R254-S257 PolarHBondContact O-N 2.62Å; R254-S257 VanDerWaalsContact O-N 3.09Å; R254-S257 PolarHBondContact O-OG 2.88Å |
| 255 | A | 31.8 | Very low | 32.4 | Very low | 54 Ų | 54 | 110 Ų | 110 | 45% | 0.446 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.6 | -24.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E251 P252 S257 L258 | E251-A255 PolarHBondContact O-N 2.76Å; P252-A255 PolarHBondContact O-N 2.81Å; A255-S257 PolarHBondContact O-N 2.86Å; A255-L258 PolarHBondContact O-N 3.21Å |
| 256 | Q | 32.6 | Very low | 32.3 | Very low | 75 Ų | 75 | 109.3 Ų | 109.3 | 35% | 0.35 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -62.2 | -22.1 | 172.1 | -68.1 | 176.3 | 16 | 0 | 0 | 113.3 | P252 R253 R254 L258 A266 | P252-Q256 WeakPolarHBondContact O-CG 3.23Å; P252-Q256 PolarHBondContact O-N 3.48Å; R253-Q256 WeakPolarHBondContact O-CB 2.97Å; R253-Q256 PolarHBondContact O-N 2.98Å; R254-Q256 PolarHBondContact O-N 2.95Å; Q256-L258 PolarHBondContact O-N 2.98Å; Q256-A266 HydrophobicContact CG-CB 3.97Å; Q256-A266 PolarHBondContact NE2-O 3.38Å |
| 257 | S | 28.7 | Very low | 32.6 | Very low | 101 Ų | 101 | 106.4 Ų | 106.4 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -72.5 | -11.7 | 177.9 | 70.9 | 0 | 0 | 0 | 0 | 114.1 | R254 A255 | R254-S257 WeakPolarHBondContact O-CB 3.28Å; R254-S257 PolarHBondContact O-N 2.62Å; R254-S257 VanDerWaalsContact O-N 3.09Å; R254-S257 PolarHBondContact O-OG 2.88Å; A255-S257 PolarHBondContact O-N 2.86Å |
| 258 | L | 26.1 | Very low | 32.5 | Very low | 146 Ų | 146 | 102.6 Ų | 102.6 | 76% | 0.764 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -100.1 | 10.3 | -175.6 | -74.5 | 163.4 | 0 | 0 | 0 | 114 | A255 Q256 | A255-L258 PolarHBondContact O-N 3.21Å; Q256-L258 PolarHBondContact O-N 2.98Å |
| 259 | V | 29.5 | Very low | 32.8 | Very low | 54 Ų | 54 | 101.1 Ų | 101.1 | 33% | 0.327 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -104.4 | 135.7 | -174.9 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | M261 R263 Y265 | V259-M261 PolarHBondContact O-N 3.26Å; V259-M261 VanDerWaalsContact O-N 3.11Å; V259-R263 WeakPolarHBondContact CG1-O 3.5Å; V259-Y265 HydrophobicContact CG1-CD2 3.59Å; V259-Y265 HydrophobicContact CG1-CE2 4.04Å |
| 260 | P | 27.1 | Very low | 33 | Very low | 101 Ų | 101 | 102.3 Ų | 102.3 | 66% | 0.656 | 52% | 0.521 | S | S | * | . | trans | -54.3 | 123.2 | 175.4 | 21.3 | -31.1 | 0 | 0 | 0 | 110 | K262 R263 | P260-K262 PolarHBondContact O-N 3.15Å; P260-R263 PolarHBondContact O-N 3.48Å | ||
| 261 | M | 27.1 | Very low | 33.3 | Very low | 176 Ų | 176 | 105.4 Ų | 105.4 | 87% | 0.867 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -0.3 | -172.1 | -108.6 | -176.6 | 175.2 | 0 | 0 | 117.3 | V259 R276 | V259-M261 PolarHBondContact O-N 3.26Å; V259-M261 VanDerWaalsContact O-N 3.11Å; M261-R276 PolarHBondContact O-NH1 3.27Å; M261-R276 VanDerWaalsContact O-NH1 3.09Å |
| 262 | K | 34.2 | Very low | 33.6 | Very low | 160 Ų | 160 | 104.2 Ų | 104.2 | 70% | 0.696 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -17.6 | -178.4 | -72 | -173.3 | 174.8 | -178.1 | 0 | 114.6 | P260 | P260-K262 PolarHBondContact O-N 3.15Š|
| 263 | R | 32 | Very low | 34 | Very low | 145 Ų | 145 | 105.9 Ų | 105.9 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | trans | -139.5 | 117.3 | 170.4 | -80.2 | -177 | 175.5 | 179.5 | -2.3 | 110.5 | V259 P260 Y265 | V259-R263 WeakPolarHBondContact CG1-O 3.5Å; P260-R263 PolarHBondContact O-N 3.48Å; R263-Y265 HydrophobicContact CB-CD2 4Å; R263-Y265 HydrophobicContact CB-CE2 3.52Å; R263-Y265 WeakPolarHBondContact O-CD2 3.45Å; R263-Y265 PolarHBondContact O-N 3.39Å | ||
| 264 | V | 30.9 | Very low | 34.2 | Very low | 63 Ų | 63 | 102.7 Ų | 102.7 | 38% | 0.382 | 53% | 0.53 | S | S | . | . | trans | -79.5 | 101.5 | 170.4 | -178.5 | 0 | 0 | 0 | 0 | 106.8 | A266 P267 | V264-A266 VanDerWaalsContact C-N 3.26Å; V264-A266 PolarHBondContact O-N 3.09Å; V264-P267 HydrophobicContact CG1-CB 4.1Å | ||
| 265 | Y | 36.5 | Very low | 34.5 | Very low | 163 Ų | 163 | 96.8 Ų | 96.8 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -78.1 | -8.3 | -177.5 | -76.9 | -86.2 | 0 | 0 | 0 | 114 | V259 R263 | V259-Y265 HydrophobicContact CG1-CD2 3.59Å; V259-Y265 HydrophobicContact CG1-CE2 4.04Å; R263-Y265 HydrophobicContact CB-CD2 4Å; R263-Y265 HydrophobicContact CB-CE2 3.52Å; R263-Y265 WeakPolarHBondContact O-CD2 3.45Å; R263-Y265 PolarHBondContact O-N 3.39Å |
| 266 | A | 38.4 | Very low | 34.8 | Very low | 44 Ų | 44 | 101 Ų | 101 | 36% | 0.364 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -136.5 | 68.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q256 V264 | Q256-A266 HydrophobicContact CG-CB 3.97Å; Q256-A266 PolarHBondContact NE2-O 3.38Å; V264-A266 VanDerWaalsContact C-N 3.26Å; V264-A266 PolarHBondContact O-N 3.09Å |
| 267 | P | 41.9 | Very low | 35 | Very low | 32 Ų | 32 | 103.5 Ų | 103.5 | 21% | 0.208 | 54% | 0.535 | C | S | . | . | trans | -71.6 | 140 | 179.9 | 26.6 | -25.4 | 0 | 0 | 0 | 110 | V264 S269 Q272 L273 | V264-P267 HydrophobicContact CG1-CB 4.1Å; P267-S269 WeakPolarHBondContact CB-O 3.36Å; P267-S269 PolarHBondContact O-N 2.82Å; P267-S269 VanDerWaalsContact O-N 3.08Å; P267-Q272 HydrophobicContact CB-CB 3.81Å; P267-L273 HydrophobicContact CB-CB 4.38Å; P267-L273 HydrophobicContact CG-CB 3.57Å; P267-L273 HydrophobicContact CG-CD1 3.58Å; P267-L273 HydrophobicContact CG-CG 4.07Å | ||
| 268 | C | 37.1 | Very low | 35 | Very low | 110 Ų | 110 | 103.2 Ų | 103.2 | 74% | 0.743 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -65.6 | -11.1 | 177.5 | -61.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 269 | S | 38.6 | Very low | 35.1 | Very low | 44 Ų | 44 | 102.4 Ų | 102.4 | 31% | 0.308 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -147.4 | 148.4 | 172.8 | 74.4 | 0 | 0 | 0 | 0 | 112.1 | P267 Q271 Q272 L273 | P267-S269 WeakPolarHBondContact CB-O 3.36Å; P267-S269 PolarHBondContact O-N 2.82Å; P267-S269 VanDerWaalsContact O-N 3.08Å; S269-Q271 PolarHBondContact O-N 3.1Å; S269-Q272 PolarHBondContact O-N 3.4Å; S269-Q272 PolarHBondContact OG-N 3.39Å; S269-L273 PolarHBondContact O-N 3.02Å |
| 270 | K | 40.1 | Very low | 35.1 | Very low | 93 Ų | 93 | 106.8 Ų | 106.8 | 40% | 0.404 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -53.9 | -33.6 | 171.6 | -176.4 | 179 | 172.6 | -177.6 | 0 | 111.9 | W142 L273 L274 | W142-K270 VanDerWaalsContact CH2-NZ 3.35Å; W142-K270 HydrophobicContact CZ2-CD 4.06Å; K270-L273 WeakPolarHBondContact O-CB 3.46Å; K270-L273 PolarHBondContact O-N 3.44Å; K270-L274 HydrophobicContact CG-CD1 3.89Å; K270-L274 VanDerWaalsContact O-CG 3.29Å; K270-L274 WeakPolarHBondContact O-CG 3.32Å; K270-L274 PolarHBondContact O-N 2.75Å; K270-L274 VanDerWaalsContact O-N 3.13Å |
| 271 | Q | 38.9 | Very low | 35.2 | Very low | 151 Ų | 151 | 108.2 Ų | 108.2 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.9 | -36.1 | 176.5 | -77.7 | 172.6 | -31 | 0 | 0 | 113 | S269 L273 L274 A275 | S269-Q271 PolarHBondContact O-N 3.1Å; Q271-L273 VanDerWaalsContact C-N 3.35Å; Q271-L274 PolarHBondContact O-N 2.88Å; Q271-A275 WeakPolarHBondContact O-CB 3.42Å; Q271-A275 PolarHBondContact O-N 2.81Å |
| 272 | Q | 39.2 | Very low | 35.2 | Very low | 105 Ų | 105 | 108.1 Ų | 108.1 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.6 | -32 | 175.8 | -80.1 | 177.2 | -22 | 0 | 0 | 112.8 | P267 S269 | P267-Q272 HydrophobicContact CB-CB 3.81Å; S269-Q272 PolarHBondContact O-N 3.4Å; S269-Q272 PolarHBondContact OG-N 3.39Å |
| 273 | L | 38 | Very low | 34.8 | Very low | 77 Ų | 77 | 103.8 Ų | 103.8 | 40% | 0.403 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 172.2 | -162.8 | 72.6 | 0 | 0 | 0 | 110.9 | P267 S269 K270 Q271 | P267-L273 HydrophobicContact CB-CB 4.38Å; P267-L273 HydrophobicContact CG-CB 3.57Å; P267-L273 HydrophobicContact CG-CD1 3.58Å; P267-L273 HydrophobicContact CG-CG 4.07Å; S269-L273 PolarHBondContact O-N 3.02Å; K270-L273 WeakPolarHBondContact O-CB 3.46Å; K270-L273 PolarHBondContact O-N 3.44Å; Q271-L273 VanDerWaalsContact C-N 3.35Å |
| 274 | L | 36.9 | Very low | 34.5 | Very low | 84 Ų | 84 | 101.5 Ų | 101.5 | 44% | 0.44 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -80.4 | -37.4 | -173.8 | -65.6 | 171.3 | 0 | 0 | 0 | 112.8 | K270 Q271 R276 Q277 S278 | K270-L274 HydrophobicContact CG-CD1 3.89Å; K270-L274 VanDerWaalsContact O-CG 3.29Å; K270-L274 WeakPolarHBondContact O-CG 3.32Å; K270-L274 PolarHBondContact O-N 2.75Å; K270-L274 VanDerWaalsContact O-N 3.13Å; Q271-L274 PolarHBondContact O-N 2.88Å; L274-R276 PolarHBondContact O-N 3Å; L274-Q277 WeakPolarHBondContact O-CB 3.33Å; L274-Q277 PolarHBondContact O-N 2.86Å; L274-S278 PolarHBondContact O-N 2.92Å |
| 275 | A | 38.2 | Very low | 34.2 | Very low | 55 Ų | 55 | 106.9 Ų | 106.9 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.7 | -19.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q271 S278 | Q271-A275 WeakPolarHBondContact O-CB 3.42Å; Q271-A275 PolarHBondContact O-N 2.81Å; A275-S278 PolarHBondContact O-OG 3.41Å; A275-S278 VanDerWaalsContact O-OG 3.09Å |
| 276 | R | 39.2 | Very low | 33.7 | Very low | 143 Ų | 143 | 105.9 Ų | 105.9 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -5.3 | 170.7 | -80.2 | -166.7 | 172.7 | -162 | 0.5 | 114 | M261 L274 L279 | M261-R276 PolarHBondContact O-NH1 3.27Å; M261-R276 VanDerWaalsContact O-NH1 3.09Å; L274-R276 PolarHBondContact O-N 3Å; R276-L279 HydrophobicContact CG-CD1 4.43Å |
| 277 | Q | 35.5 | Very low | 33 | Very low | 126 Ų | 126 | 105.7 Ų | 105.7 | 59% | 0.589 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -24.4 | 165.9 | -71.4 | -177.7 | -13.3 | 0 | 0 | 111.8 | L274 | L274-Q277 WeakPolarHBondContact O-CB 3.33Å; L274-Q277 PolarHBondContact O-N 2.86Å |
| 278 | S | 29 | Very low | 32.3 | Very low | 96 Ų | 96 | 109.1 Ų | 109.1 | 67% | 0.671 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -85.3 | -6.5 | 176.2 | 59.8 | 0 | 0 | 0 | 0 | 114.9 | L274 A275 E280 | L274-S278 PolarHBondContact O-N 2.92Å; A275-S278 PolarHBondContact O-OG 3.41Å; A275-S278 VanDerWaalsContact O-OG 3.09Å; S278-E280 PolarHBondContact O-N 2.62Å; S278-E280 VanDerWaalsContact O-N 3.15Å |
| 279 | L | 28.3 | Very low | 31.7 | Very low | 128 Ų | 128 | 112.4 Ų | 112.4 | 67% | 0.67 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -79.5 | 91.7 | 167.1 | -84.7 | 160.5 | 0 | 0 | 0 | 108.5 | R276 M281 | R276-L279 HydrophobicContact CG-CD1 4.43Å; L279-M281 PolarHBondContact O-N 3.35Å |
| 280 | E | 30.1 | Very low | 31 | Very low | 146 Ų | 146 | 116.9 Ų | 116.9 | 68% | 0.682 | 58% | 0.577 | S | S | * | * | trans | 27 | 84.1 | 163.8 | -68.1 | -174.5 | 163.2 | 0 | 0 | 115.7 | S278 H282 | S278-E280 PolarHBondContact O-N 2.62Å; S278-E280 VanDerWaalsContact O-N 3.15Å; E280-H282 PolarHBondContact O-N 3.09Å | ||
| 281 | M | 29.4 | Very low | 30.3 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 65% | 0.645 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 21.7 | 157.8 | -114.8 | -165.5 | 172.8 | 0 | 0 | 112.9 | L279 | L279-M281 PolarHBondContact O-N 3.35Š|
| 282 | H | 27.1 | Very low | 29.6 | Very low | 174 Ų | 174 | 120.4 Ų | 120.4 | 81% | 0.806 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | -5.6 | -171.5 | -80.8 | -32.4 | 0 | 0 | 0 | 116.7 | E280 | E280-H282 PolarHBondContact O-N 3.09Š|
| 283 | S | 25.5 | Very low | 28.8 | Very low | 70 Ų | 70 | 122.4 Ų | 122.4 | 49% | 0.49 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -109.7 | -19.8 | 178.6 | 64.3 | 0 | 0 | 0 | 0 | 115.7 | ||
| 284 | L | 25.3 | Very low | 28.1 | Very low | 96 Ų | 96 | 127 Ų | 127 | 50% | 0.503 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -101.8 | -23.2 | -177.5 | -85.7 | 159.3 | 0 | 0 | 0 | 115.2 | K286 A287 V288 | L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 3.3Å; L284-A287 PolarHBondContact O-N 3.41Å; L284-V288 WeakPolarHBondContact O-CG2 3.16Å; L284-V288 PolarHBondContact O-N 3.07Å |
| 285 | Y | 25.8 | Very low | 27.6 | Very low | 176 Ų | 176 | 129.5 Ų | 129.5 | 69% | 0.69 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.1 | -26.4 | 175 | -119 | -92.3 | 0 | 0 | 0 | 112.2 | ||
| 286 | K | 25.7 | Very low | 26.9 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 62% | 0.617 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -78.9 | -33.9 | 174.4 | -144.7 | 174 | -176.4 | 176.7 | 0 | 112.4 | L284 Y289 Q290 | L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 3.3Å; K286-Y289 PolarHBondContact O-N 3.2Å; K286-Q290 VanDerWaalsContact O-CB 3.29Å; K286-Q290 WeakPolarHBondContact O-CB 3.18Å; K286-Q290 WeakPolarHBondContact O-CG 3.32Å; K286-Q290 PolarHBondContact O-N 3.44Å |
| 287 | A | 24.2 | Very low | 26.2 | Very low | 41 Ų | 41 | 131.4 Ų | 131.4 | 34% | 0.339 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -73.7 | -28.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | L284 N291 | L284-A287 PolarHBondContact O-N 3.41Å; A287-N291 PolarHBondContact O-N 3.21Å |
| 288 | V | 25.4 | Very low | 25.6 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 62% | 0.624 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -79.9 | -20.8 | 177.4 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | L284 | L284-V288 WeakPolarHBondContact O-CG2 3.16Å; L284-V288 PolarHBondContact O-N 3.07Å |
| 289 | Y | 25 | Very low | 25.4 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -96.4 | -20.7 | 172 | -88.9 | -88.7 | 0 | 0 | 0 | 114.4 | K286 | K286-Y289 PolarHBondContact O-N 3.2Å |
| 290 | Q | 24.9 | Very low | 25.1 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 65% | 0.645 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -87.5 | -11.1 | 175.4 | -77.4 | 179.8 | -41.5 | 0 | 0 | 114.7 | K286 K292 | K286-Q290 VanDerWaalsContact O-CB 3.29Å; K286-Q290 WeakPolarHBondContact O-CB 3.18Å; K286-Q290 WeakPolarHBondContact O-CG 3.32Å; K286-Q290 PolarHBondContact O-N 3.44Å; Q290-K292 VanDerWaalsContact C-N 3.33Å; Q290-K292 PolarHBondContact O-N 3.2Å |
| 291 | N | 24.6 | Very low | 24.9 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 21.6 | 173 | -101.3 | -34.5 | 0 | 0 | 0 | 114.6 | A287 | A287-N291 PolarHBondContact O-N 3.21Š|
| 292 | K | 24.7 | Very low | 24.6 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 74% | 0.739 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 15.4 | 174.7 | -82.9 | -164.7 | -177.9 | -176.8 | 0 | 115.5 | Q290 | Q290-K292 VanDerWaalsContact C-N 3.33Å; Q290-K292 PolarHBondContact O-N 3.2Å |
| 293 | I | 22.8 | Very low | 24.4 | Very low | 147 Ų | 147 | 133 Ų | 133 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -130 | 59.2 | 169.9 | -47.9 | 176.7 | 0 | 0 | 0 | 109.4 | ||
| 294 | H | 22.9 | Very low | 24.4 | Very low | 173 Ų | 173 | 135 Ų | 135 | 80% | 0.801 | 71% | 0.708 | S | S | * | * | trans | -148.5 | 57.3 | 152.8 | -116.4 | 49.9 | 0 | 0 | 0 | 108.1 | Q296 | H294-Q296 PolarHBondContact O-N 3.42Š| ||
| 295 | V | 25.5 | Very low | 24.3 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | trans | -80.5 | 90.1 | 148 | -178 | 0 | 0 | 0 | 0 | 103.8 | A297 | V295-A297 PolarHBondContact O-N 3.47Š| ||
| 296 | Q | 24.3 | Very low | 24.3 | Very low | 161 Ų | 161 | 141 Ų | 141 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -46.6 | 128.1 | 156.9 | -110 | 173.6 | -23.5 | 0 | 0 | 106.8 | H294 D298 | H294-Q296 PolarHBondContact O-N 3.42Å; Q296-D298 PolarHBondContact O-N 3.11Å | ||
| 297 | A | 24.3 | Very low | 24.1 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | trans | -50.4 | 101.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.7 | V295 T299 | V295-A297 PolarHBondContact O-N 3.47Å; A297-T299 HydrophobicContact CB-CG2 4.21Å; A297-T299 PolarHBondContact O-N 3.35Å | ||
| 298 | D | 23.3 | Very low | 24 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -83.9 | 78.5 | 144 | -98.9 | -23.2 | 0 | 0 | 0 | 106.7 | Q296 T300 | Q296-D298 PolarHBondContact O-N 3.11Å; D298-T300 VanDerWaalsContact C-N 3.32Å; D298-T300 PolarHBondContact O-N 2.92Å | ||
| 299 | T | 23.4 | Very low | 24.1 | Very low | 117 Ų | 117 | 151.2 Ų | 151.2 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | trans | -48.7 | 96.1 | 149.9 | 39.3 | 0 | 0 | 0 | 0 | 108.7 | A297 | A297-T299 HydrophobicContact CB-CG2 4.21Å; A297-T299 PolarHBondContact O-N 3.35Å | ||
| 300 | T | 22.9 | Very low | 23.9 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | -176.8 | 71.6 | 155.2 | 30.1 | 0 | 0 | 0 | 0 | 110.5 | D298 | D298-T300 VanDerWaalsContact C-N 3.32Å; D298-T300 PolarHBondContact O-N 2.92Å | ||
| 301 | N | 26.1 | Very low | 23.8 | Very low | 146 Ų | 146 | 153.8 Ų | 153.8 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | 160.9 | 80.1 | 136.4 | -86.2 | -29.4 | 0 | 0 | 0 | 110.3 | S303 | N301-S303 PolarHBondContact O-N 3.15Š| ||
| 302 | E | 23.7 | Very low | 23.7 | Very low | 206 Ų | 206 | 154 Ų | 154 | 96% | 0.963 | 79% | 0.788 | S | S | * | * | trans | -62.1 | 82.9 | 153.7 | -66.1 | -178.6 | 143.3 | 0 | 0 | 109.4 | ||||
| 303 | S | 22.9 | Very low | 23.5 | Very low | 97 Ų | 97 | 152.9 Ų | 152.9 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | -170.7 | 58.1 | 166.7 | 42.8 | 0 | 0 | 0 | 0 | 112.8 | N301 | N301-S303 PolarHBondContact O-N 3.15Š| ||
| 304 | S | 24.2 | Very low | 23.6 | Very low | 110 Ų | 110 | 151.1 Ų | 151.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -148.8 | 62.3 | 151.2 | 57.6 | 0 | 0 | 0 | 0 | 111.7 | I306 | S304-I306 PolarHBondContact O-N 3.1Š| ||
| 305 | R | 24 | Very low | 23.6 | Very low | 253 Ų | 253 | 146.8 Ų | 146.8 | 96% | 0.955 | 79% | 0.786 | S | S | * | * | trans | -72.9 | 94.3 | 148 | -85.9 | -177 | 172.5 | -178.7 | -1 | 107.9 | ||||
| 306 | I | 24.7 | Very low | 23.6 | Very low | 147 Ų | 147 | 145 Ų | 145 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | -136.9 | 101.2 | 157.9 | -59 | 179.8 | 0 | 0 | 0 | 104.1 | S304 | S304-I306 PolarHBondContact O-N 3.1Š| ||
| 307 | G | 22.5 | Very low | 23.6 | Very low | 60 Ų | 60 | 141.5 Ų | 141.5 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | 69.5 | 110.6 | 99.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 308 | W | 22.5 | Very low | 23.6 | Very low | 250 Ų | 250 | 148.1 Ų | 148.1 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | -155.1 | 131.9 | 59.3 | -76.5 | 77.9 | 0 | 0 | 0 | 110.8 | |||||
| 309 | Q | 26 | Very low | 23.7 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | trans | -111.5 | 115.6 | 162.4 | -167.2 | -176.1 | 16.3 | 0 | 0 | 105.9 | ||||
| 310 | R | 21.7 | Very low | 23.8 | Very low | 227 Ų | 227 | 143.4 Ų | 143.4 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | 169 | 120.4 | 149.5 | -101 | 175.4 | 176.9 | -174.9 | -0.7 | 110.9 | ||||
| 311 | N | 22.3 | Very low | 23.9 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 62.6 | 128.8 | 161 | -56.8 | -7.3 | 0 | 0 | 0 | 116.9 | ||
| 312 | D | 22.6 | Very low | 24 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 75.9 | 103.8 | 175.5 | -52 | -27.7 | 0 | 0 | 0 | 115.9 | V314 | D312-V314 PolarHBondContact O-N 3.47Š|
| 313 | T | 21.1 | Very low | 24.2 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | trans | -51.1 | 99.3 | 177.9 | 18.1 | 0 | 0 | 0 | 0 | 112.5 | A315 | T313-A315 PolarHBondContact O-N 3.41Å; T313-A315 VanDerWaalsContact O-N 3.15Å | ||
| 314 | V | 23.9 | Very low | 24.6 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 67% | 0.667 | 70% | 0.701 | S | S | * | * | trans | -71.2 | 100.6 | 158.6 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | D312 V316 | D312-V314 PolarHBondContact O-N 3.47Å; V314-V316 HydrophobicContact CG1-CG2 3.86Å; V314-V316 PolarHBondContact O-N 2.92Å | ||
| 315 | A | 23.5 | Very low | 24.9 | Very low | 81 Ų | 81 | 134.3 Ų | 134.3 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | trans | -66.3 | 89.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | T313 V317 | T313-A315 PolarHBondContact O-N 3.41Å; T313-A315 VanDerWaalsContact O-N 3.15Å; A315-V317 PolarHBondContact O-N 2.77Å | ||
| 316 | V | 25 | Very low | 25.1 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 60% | 0.6 | 66% | 0.657 | S | S | * | * | trans | -68.2 | 89.8 | 164.4 | -178.8 | 0 | 0 | 0 | 0 | 105.9 | V314 R318 | V314-V316 HydrophobicContact CG1-CG2 3.86Å; V314-V316 PolarHBondContact O-N 2.92Å; V316-R318 HydrophobicContact CG1-CG 4.07Å; V316-R318 PolarHBondContact O-N 2.75Å | ||
| 317 | V | 25.4 | Very low | 25.6 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 53% | 0.527 | 66% | 0.664 | S | S | . | * | trans | -67.4 | 85.1 | 161.4 | -176 | 0 | 0 | 0 | 0 | 105.4 | A315 A319 | A315-V317 PolarHBondContact O-N 2.77Å; V317-A319 HydrophobicContact CG1-CB 4.21Å; V317-A319 PolarHBondContact O-N 2.78Å | ||
| 318 | R | 24.1 | Very low | 25.8 | Very low | 217 Ų | 217 | 125.4 Ų | 125.4 | 82% | 0.819 | 66% | 0.661 | S | S | * | * | trans | -64.6 | 79.2 | 152.8 | -90.7 | -175.2 | 175.2 | 177.6 | -1.4 | 105.4 | V316 N320 | V316-R318 HydrophobicContact CG1-CG 4.07Å; V316-R318 PolarHBondContact O-N 2.75Å; R318-N320 PolarHBondContact O-N 3.34Å | ||
| 319 | A | 25.7 | Very low | 26 | Very low | 38 Ų | 38 | 124.1 Ų | 124.1 | 31% | 0.314 | 66% | 0.657 | S | S | . | * | trans | -61.4 | 96.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 104 | V317 F321 | V317-A319 HydrophobicContact CG1-CB 4.21Å; V317-A319 PolarHBondContact O-N 2.78Å; A319-F321 HydrophobicContact CB-CD2 3.54Å; A319-F321 HydrophobicContact CB-CE2 3.51Å; A319-F321 HydrophobicContact CB-CG 4.41Å; A319-F321 HydrophobicContact CB-CZ 4.37Å; A319-F321 PolarHBondContact O-N 3.07Å | ||
| 320 | N | 24.4 | Very low | 26.1 | Very low | 134 Ų | 134 | 120 Ų | 120 | 72% | 0.717 | 65% | 0.648 | S | S | * | * | trans | -55.9 | 86.7 | 147.4 | -75.8 | -24.9 | 0 | 0 | 0 | 104 | R318 E322 | R318-N320 PolarHBondContact O-N 3.34Å; N320-E322 PolarHBondContact O-N 3.44Å | ||
| 321 | F | 26.3 | Very low | 26.4 | Very low | 76 Ų | 76 | 111.1 Ų | 111.1 | 33% | 0.333 | 62% | 0.622 | S | S | . | * | trans | -63.2 | 92.9 | 163 | -86.5 | -85.2 | 0 | 0 | 0 | 104 | A319 S323 I406 | A319-F321 HydrophobicContact CB-CD2 3.54Å; A319-F321 HydrophobicContact CB-CE2 3.51Å; A319-F321 HydrophobicContact CB-CG 4.41Å; A319-F321 HydrophobicContact CB-CZ 4.37Å; A319-F321 PolarHBondContact O-N 3.07Å; F321-S323 PolarHBondContact O-N 3.27Å; F321-I406 HydrophobicContact CE1-CG2 4.22Å; F321-I406 HydrophobicContact CZ-CG2 4.47Å | ||
| 322 | E | 28.1 | Very low | 26.7 | Very low | 159 Ų | 159 | 106 Ų | 106 | 74% | 0.743 | 60% | 0.595 | S | S | * | * | trans | -50.7 | 76.4 | 135.1 | -67.7 | -178.4 | 169.6 | 0 | 0 | 106.1 | N320 P324 Y408 | N320-E322 PolarHBondContact O-N 3.44Å; E322-P324 VanDerWaalsContact O-CD 3.28Å; E322-P324 WeakPolarHBondContact O-CD 3.48Å; E322-Y408 PolarHBondContact O-OH 3.34Å | ||
| 323 | S | 28 | Very low | 27 | Very low | 66 Ų | 66 | 107.8 Ų | 107.8 | 46% | 0.462 | 59% | 0.59 | S | S | . | * | trans | -58.2 | 112.5 | 148.1 | 172.5 | 0 | 0 | 0 | 0 | 102.9 | F321 V325 | F321-S323 PolarHBondContact O-N 3.27Å; S323-V325 PolarHBondContact O-N 3.26Å | ||
| 324 | P | 30.4 | Very low | 27.5 | Very low | 90 Ų | 90 | 107.9 Ų | 107.9 | 58% | 0.584 | 58% | 0.578 | S | S | * | * | trans | -68.4 | 97.9 | 178.3 | 28.7 | -28.9 | 0 | 0 | 0 | 104.6 | E322 P326 | E322-P324 VanDerWaalsContact O-CD 3.28Å; E322-P324 WeakPolarHBondContact O-CD 3.48Å; P324-P326 WeakPolarHBondContact O-CD 3.43Å | ||
| 325 | V | 30.8 | Very low | 27.9 | Very low | 92 Ų | 92 | 109.8 Ų | 109.8 | 56% | 0.558 | 57% | 0.573 | S | S | * | * | trans | -51.3 | 114.8 | 154.7 | 176.5 | 0 | 0 | 0 | 0 | 103.4 | S323 S327 I332 | S323-V325 PolarHBondContact O-N 3.26Å; V325-S327 PolarHBondContact O-N 2.95Å; V325-I332 HydrophobicContact CG1-CD1 3.8Å; V325-I332 HydrophobicContact CG1-CG1 3.82Å | ||
| 326 | P | 28.6 | Very low | 28.1 | Very low | 39 Ų | 39 | 113.5 Ų | 113.5 | 25% | 0.253 | 57% | 0.57 | S | S | . | * | trans | -55.4 | 132.2 | -177.7 | -23.8 | 33.4 | 0 | 0 | 0 | 107.6 | P324 D328 A331 I332 | P324-P326 WeakPolarHBondContact O-CD 3.43Å; P326-D328 PolarHBondContact O-N 3.36Å; P326-A331 HydrophobicContact CB-CB 3.37Å; P326-A331 HydrophobicContact CG-CB 3.87Å; P326-I332 VanDerWaalsContact O-CD1 3.29Å; P326-I332 WeakPolarHBondContact O-CD1 3.45Å; P326-I332 WeakPolarHBondContact O-CG1 3.29Å | ||
| 327 | S | 34 | Very low | 28.6 | Very low | 127 Ų | 127 | 114.8 Ų | 114.8 | 89% | 0.888 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -64.1 | -12.1 | -178.7 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | V325 | V325-S327 PolarHBondContact O-N 2.95Š|
| 328 | D | 28.1 | Very low | 29.1 | Very low | 107 Ų | 107 | 116.4 Ų | 116.4 | 57% | 0.572 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -94.5 | 125.8 | -174.4 | -131.6 | -20.4 | 0 | 0 | 0 | 112.4 | P326 C330 A331 I332 | P326-D328 PolarHBondContact O-N 3.36Å; D328-C330 PolarHBondContact O-N 3.39Å; D328-C330 VanDerWaalsContact O-N 3.09Å; D328-A331 HydrophobicContact CB-CB 4.18Å; D328-A331 PolarHBondContact O-N 3.13Å; D328-I332 PolarHBondContact O-N 3.03Å |
| 329 | R | 27.1 | Very low | 29.6 | Very low | 224 Ų | 224 | 108.8 Ų | 108.8 | 85% | 0.845 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -56.6 | -31.8 | -175.9 | -75.1 | -177.1 | 176 | -176 | -0.8 | 112.9 | R333 | R329-R333 PolarHBondContact O-N 3.34Å |
| 330 | C | 27 | Very low | 29.8 | Very low | 103 Ų | 103 | 112.5 Ų | 112.5 | 70% | 0.696 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.6 | -35.8 | 177.3 | -69.5 | 0 | 0 | 0 | 0 | 113 | D328 R333 K334 | D328-C330 PolarHBondContact O-N 3.39Å; D328-C330 VanDerWaalsContact O-N 3.09Å; C330-R333 PolarHBondContact O-N 3.18Å; C330-K334 PolarHBondContact O-N 3.08Å; C330-K334 VanDerWaalsContact O-N 3.07Å |
| 331 | A | 29.2 | Very low | 30.4 | Very low | 39 Ų | 39 | 117 Ų | 117 | 32% | 0.322 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.9 | -33 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P326 D328 K334 W335 | P326-A331 HydrophobicContact CB-CB 3.37Å; P326-A331 HydrophobicContact CG-CB 3.87Å; D328-A331 HydrophobicContact CB-CB 4.18Å; D328-A331 PolarHBondContact O-N 3.13Å; A331-K334 PolarHBondContact O-N 3.35Å; A331-W335 VanDerWaalsContact O-CB 3.32Å; A331-W335 WeakPolarHBondContact O-CB 3.1Å; A331-W335 PolarHBondContact O-N 3.07Å |
| 332 | I | 28.3 | Very low | 30.9 | Very low | 38 Ų | 38 | 119.5 Ų | 119.5 | 20% | 0.195 | 60% | 0.598 | C | S | . | * | H | α-helix | trans | -62.1 | -43.3 | 168.3 | -62.4 | 173.8 | 0 | 0 | 0 | 110.7 | V325 P326 D328 K334 W335 R336 | V325-I332 HydrophobicContact CG1-CD1 3.8Å; V325-I332 HydrophobicContact CG1-CG1 3.82Å; P326-I332 VanDerWaalsContact O-CD1 3.29Å; P326-I332 WeakPolarHBondContact O-CD1 3.45Å; P326-I332 WeakPolarHBondContact O-CG1 3.29Å; D328-I332 PolarHBondContact O-N 3.03Å; I332-K334 VanDerWaalsContact C-N 3.34Å; I332-K334 PolarHBondContact O-N 3.11Å; I332-W335 PolarHBondContact O-N 3.09Å; I332-R336 HydrophobicContact CG2-CG 4.36Å; I332-R336 WeakPolarHBondContact O-CB 3.29Å; I332-R336 WeakPolarHBondContact O-CG 3.11Å; I332-R336 PolarHBondContact O-N 3.35Å |
| 333 | R | 28.6 | Very low | 31.1 | Very low | 190 Ų | 190 | 120.1 Ų | 120.1 | 72% | 0.717 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.5 | -39 | 178.5 | -122.3 | 180 | -176.1 | -178.7 | 1.4 | 112.2 | R329 C330 N337 | R329-R333 PolarHBondContact O-N 3.34Å; C330-R333 PolarHBondContact O-N 3.18Å; R333-N337 PolarHBondContact O-N 3.27Å; R333-N337 VanDerWaalsContact O-N 3.11Å |
| 334 | K | 31.5 | Very low | 31.5 | Very low | 149 Ų | 149 | 121.2 Ų | 121.2 | 65% | 0.648 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.9 | -44.2 | 177.5 | -156.2 | 174.5 | -176.6 | -179.7 | 0 | 112 | C330 A331 I332 R336 N337 D338 | C330-K334 PolarHBondContact O-N 3.08Å; C330-K334 VanDerWaalsContact O-N 3.07Å; A331-K334 PolarHBondContact O-N 3.35Å; I332-K334 VanDerWaalsContact C-N 3.34Å; I332-K334 PolarHBondContact O-N 3.11Å; K334-R336 VanDerWaalsContact C-N 3.27Å; K334-R336 PolarHBondContact O-N 2.68Å; K334-N337 PolarHBondContact O-N 2.98Å; K334-N337 VanDerWaalsContact O-N 3.15Å; K334-D338 PolarHBondContact O-N 3.36Å; K334-D338 VanDerWaalsContact O-N 3.1Å |
| 335 | W | 31.3 | Very low | 31.5 | Very low | 151 Ų | 151 | 122 Ų | 122 | 57% | 0.572 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.7 | -37.2 | 173.4 | -169.5 | 82.3 | 0 | 0 | 0 | 112.5 | A331 I332 | A331-W335 VanDerWaalsContact O-CB 3.32Å; A331-W335 WeakPolarHBondContact O-CB 3.1Å; A331-W335 PolarHBondContact O-N 3.07Å; I332-W335 PolarHBondContact O-N 3.09Å |
| 336 | R | 28.9 | Very low | 31.5 | Very low | 159 Ų | 159 | 124.4 Ų | 124.4 | 60% | 0.6 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68 | -35.9 | 174.3 | -76.5 | 175 | -178.5 | -170 | 1.9 | 113.8 | I332 K334 | I332-R336 HydrophobicContact CG2-CG 4.36Å; I332-R336 WeakPolarHBondContact O-CB 3.29Å; I332-R336 WeakPolarHBondContact O-CG 3.11Å; I332-R336 PolarHBondContact O-N 3.35Å; K334-R336 VanDerWaalsContact C-N 3.27Å; K334-R336 PolarHBondContact O-N 2.68Å |
| 337 | N | 34.4 | Very low | 31.6 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 67% | 0.674 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -77.2 | -28.6 | 179.7 | -81.2 | -5.3 | 0 | 0 | 0 | 113 | R333 K334 S339 | R333-N337 PolarHBondContact O-N 3.27Å; R333-N337 VanDerWaalsContact O-N 3.11Å; K334-N337 PolarHBondContact O-N 2.98Å; K334-N337 VanDerWaalsContact O-N 3.15Å; N337-S339 VanDerWaalsContact C-N 3.29Å; N337-S339 PolarHBondContact O-N 3.05Å |
| 338 | D | 35.6 | Very low | 31.5 | Very low | 121 Ų | 121 | 129 Ų | 129 | 65% | 0.647 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -81.2 | -5.8 | -177.4 | -69.3 | -19.8 | 0 | 0 | 0 | 113.5 | K334 P340 | K334-D338 PolarHBondContact O-N 3.36Å; K334-D338 VanDerWaalsContact O-N 3.1Å; D338-P340 VanDerWaalsContact C-CD 3.48Å |
| 339 | S | 34.9 | Very low | 31.5 | Very low | 57 Ų | 57 | 127.3 Ų | 127.3 | 40% | 0.399 | 62% | 0.618 | S | S | . | * | trans | -127.7 | 70.9 | 175.4 | -84.1 | 0 | 0 | 0 | 0 | 112.2 | N337 R341 F342 | N337-S339 VanDerWaalsContact C-N 3.29Å; N337-S339 PolarHBondContact O-N 3.05Å; S339-R341 PolarHBondContact O-N 3.01Å; S339-F342 PolarHBondContact O-N 3.21Å | ||
| 340 | P | 30.8 | Very low | 31.7 | Very low | 115 Ų | 115 | 120.2 Ų | 120.2 | 75% | 0.747 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 8 | -176.6 | 27 | -34.2 | 0 | 0 | 0 | 115 | D338 | D338-P340 VanDerWaalsContact C-CD 3.48Š|
| 341 | R | 35.8 | Very low | 31.7 | Very low | 228 Ų | 228 | 121 Ų | 121 | 86% | 0.86 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -0.6 | -179.5 | -72.1 | -170.3 | 177.4 | -169.4 | -1 | 115.1 | S339 | S339-R341 PolarHBondContact O-N 3.01Š|
| 342 | F | 36.9 | Very low | 31.7 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 57% | 0.566 | 60% | 0.6 | S | S | * | * | trans | -125 | 89.2 | -176.5 | -61.9 | -74.1 | 0 | 0 | 0 | 111.4 | S339 N344 I349 | S339-F342 PolarHBondContact O-N 3.21Å; F342-N344 VanDerWaalsContact C-N 3.27Å; F342-N344 PolarHBondContact O-N 3.2Å; F342-I349 HydrophobicContact CE1-CD1 4.18Å; F342-I349 HydrophobicContact CZ-CD1 4.4Å | ||
| 343 | N | 33 | Very low | 31.8 | Very low | 173 Ų | 173 | 127 Ų | 127 | 93% | 0.925 | 62% | 0.619 | S | S | * | * | trans | -82.6 | 11.3 | -177.6 | -101.9 | -5.7 | 0 | 0 | 0 | 114.6 | ||||
| 344 | N | 35.9 | Very low | 31.7 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 48% | 0.476 | 63% | 0.625 | S | S | . | * | trans | -118.5 | 110.7 | -179.3 | -160 | -16 | 0 | 0 | 0 | 111.6 | F342 N346 Q347 | F342-N344 VanDerWaalsContact C-N 3.27Å; F342-N344 PolarHBondContact O-N 3.2Å; N344-N346 PolarHBondContact O-N 3.23Å; N344-Q347 HydrophobicContact CB-CB 4.32Å; N344-Q347 PolarHBondContact O-N 2.78Å | ||
| 345 | P | 30.5 | Very low | 31.5 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 68% | 0.682 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -7.4 | -175 | 25.4 | -33.6 | 0 | 0 | 0 | 115.1 | ||
| 346 | N | 30.6 | Very low | 31.5 | Very low | 143 Ų | 143 | 125.1 Ų | 125.1 | 77% | 0.765 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 6.4 | -175.5 | -69.6 | -19.9 | 0 | 0 | 0 | 114.5 | N344 I348 | N344-N346 PolarHBondContact O-N 3.23Å; N346-I348 PolarHBondContact O-N 3.35Å |
| 347 | Q | 30.5 | Very low | 31.4 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 62% | 0.617 | 62% | 0.617 | S | S | * | * | trans | -91.4 | 93.2 | -173.3 | -154.1 | 168.3 | 8.1 | 0 | 0 | 111.6 | N344 | N344-Q347 HydrophobicContact CB-CB 4.32Å; N344-Q347 PolarHBondContact O-N 2.78Å | ||
| 348 | I | 31.8 | Very low | 31.2 | Very low | 130 Ų | 130 | 119.4 Ų | 119.4 | 67% | 0.667 | 61% | 0.608 | S | S | * | * | trans | -76.4 | 119.9 | 166.3 | -59.8 | 172.6 | 0 | 0 | 0 | 107.3 | N346 P350 | N346-I348 PolarHBondContact O-N 3.35Å; I348-P350 VanDerWaalsContact O-CD 3.23Å; I348-P350 WeakPolarHBondContact O-CD 3.46Å | ||
| 349 | I | 29.4 | Very low | 30.8 | Very low | 72 Ų | 72 | 116.8 Ų | 116.8 | 37% | 0.369 | 61% | 0.609 | S | S | . | * | trans | -85.6 | 108.9 | 171.3 | -58.1 | 173.1 | 0 | 0 | 0 | 107.3 | F342 Y351 | F342-I349 HydrophobicContact CE1-CD1 4.18Å; F342-I349 HydrophobicContact CZ-CD1 4.4Å; I349-Y351 HydrophobicContact CG2-CE2 4.3Å | ||
| 350 | P | 30.5 | Very low | 30.7 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 49% | 0.487 | 62% | 0.621 | S | S | . | * | trans | -68.5 | 138.4 | 172 | 29 | -30.8 | 0 | 0 | 0 | 108.3 | I348 S371 | I348-P350 VanDerWaalsContact O-CD 3.23Å; I348-P350 WeakPolarHBondContact O-CD 3.46Å; P350-S371 PolarHBondContact O-OG 3.22Å | ||
| 351 | Y | 28.2 | Very low | 30.7 | Very low | 121 Ų | 121 | 118.7 Ų | 118.7 | 48% | 0.475 | 61% | 0.61 | S | S | . | * | trans | -107.8 | 126.4 | 162.1 | -70.8 | -85.9 | 0 | 0 | 0 | 107.6 | I349 | I349-Y351 HydrophobicContact CG2-CE2 4.3Š| ||
| 352 | V | 28.5 | Very low | 30.4 | Very low | 84 Ų | 84 | 113.7 Ų | 113.7 | 51% | 0.509 | 61% | 0.607 | S | S | . | * | trans | -92.8 | 102.7 | 171.9 | -178.2 | 0 | 0 | 0 | 0 | 108 | R354 | V352-R354 HydrophobicContact CG1-CG 4.35Å; V352-R354 PolarHBondContact O-N 2.96Å | ||
| 353 | I | 29.9 | Very low | 30 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 61% | 0.605 | 62% | 0.621 | S | S | * | * | trans | -81.5 | 103.8 | 167.2 | -58 | 175.2 | 0 | 0 | 0 | 106.7 | L355 | I353-L355 HydrophobicContact CG2-CD2 4.14Å; I353-L355 HydrophobicContact CG2-CG 4.35Å; I353-L355 PolarHBondContact O-N 3.29Å; I353-L355 VanDerWaalsContact O-N 3.09Å | ||
| 354 | R | 27.4 | Very low | 30 | Very low | 219 Ų | 219 | 117 Ų | 117 | 83% | 0.826 | 61% | 0.609 | S | S | * | * | trans | -72.4 | 98.7 | 167.5 | -80.1 | -173.7 | 174.8 | -176.8 | -1.4 | 108.7 | V352 | V352-R354 HydrophobicContact CG1-CG 4.35Å; V352-R354 PolarHBondContact O-N 2.96Å | ||
| 355 | L | 27.8 | Very low | 29.7 | Very low | 136 Ų | 136 | 119.4 Ų | 119.4 | 71% | 0.712 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 127.5 | 164.9 | -65.4 | 172 | 0 | 0 | 0 | 108 | I353 | I353-L355 HydrophobicContact CG2-CD2 4.14Å; I353-L355 HydrophobicContact CG2-CG 4.35Å; I353-L355 PolarHBondContact O-N 3.29Å; I353-L355 VanDerWaalsContact O-N 3.09Å |
| 356 | R | 31.3 | Very low | 29.7 | Very low | 96 Ų | 96 | 119.3 Ų | 119.3 | 36% | 0.362 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 145.5 | 179.5 | -65.6 | -176.8 | -169.2 | 174.2 | 3 | 110 | Q364 | R356-Q364 PolarHBondContact NH1-O 3.37Å; R356-Q364 PolarHBondContact NH2-O 3.28Å |
| 357 | P | 26.7 | Very low | 29.8 | Very low | 90 Ų | 90 | 117 Ų | 117 | 58% | 0.584 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 144.5 | 164.8 | 24.1 | -29.4 | 0 | 0 | 0 | 110.2 | G359 | P357-G359 PolarHBondContact O-N 3.28Š|
| 358 | P | 29 | Very low | 29.9 | Very low | 75 Ų | 75 | 115.4 Ų | 115.4 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.1 | 124.1 | -179.3 | -24 | 37 | 0 | 0 | 0 | 111.3 | H94 | H94-P358 HydrophobicContact CB-CB 3.91Å; H94-P358 HydrophobicContact CB-CG 3.63Å; H94-P358 WeakPolarHBondContact O-CB 3.42Å; H94-P358 WeakPolarHBondContact O-CG 3.46Å |
| 359 | G | 28.1 | Very low | 29.8 | Very low | 65 Ų | 65 | 113.5 Ų | 113.5 | 67% | 0.67 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133 | -9.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | P357 | P357-G359 PolarHBondContact O-N 3.28Š|
| 360 | Q | 31.9 | Very low | 30 | Very low | 138 Ų | 138 | 114.5 Ų | 114.5 | 65% | 0.645 | 61% | 0.608 | S | S | * | * | trans | -92 | 147 | 179.6 | -71.2 | -170.6 | -4.8 | 0 | 0 | 114.1 | ||||
| 361 | S | 31.2 | Very low | 30.1 | Very low | 74 Ų | 74 | 113.2 Ų | 113.2 | 52% | 0.517 | 60% | 0.6 | S | S | . | * | trans | -64.4 | 154.5 | -166.6 | 92.6 | 0 | 0 | 0 | 0 | 114.5 | R363 | S361-R363 PolarHBondContact O-N 3.09Å; S361-R363 VanDerWaalsContact O-N 3.16Å | ||
| 362 | P | 29.8 | Very low | 30 | Very low | 123 Ų | 123 | 109.9 Ų | 109.9 | 80% | 0.799 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -0.5 | -176.4 | -2.3 | 16.5 | 0 | 0 | 0 | 115.2 | ||
| 363 | R | 27.8 | Very low | 30 | Very low | 231 Ų | 231 | 113.5 Ų | 113.5 | 87% | 0.872 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 12.3 | -166 | -89.8 | -170.2 | 171.9 | -178.4 | -1.8 | 116.5 | S361 | S361-R363 PolarHBondContact O-N 3.09Å; S361-R363 VanDerWaalsContact O-N 3.16Å |
| 364 | Q | 32.6 | Very low | 29.8 | Very low | 142 Ų | 142 | 117.8 Ų | 117.8 | 66% | 0.664 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -118.3 | 128.2 | 172.1 | -74.6 | 179.4 | -20.7 | 0 | 0 | 109.7 | R356 | R356-Q364 PolarHBondContact NH1-O 3.37Å; R356-Q364 PolarHBondContact NH2-O 3.28Å |
| 365 | D | 31.1 | Very low | 29.6 | Very low | 138 Ų | 138 | 109.8 Ų | 109.8 | 74% | 0.738 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 153.3 | -172.4 | -70.4 | -50.6 | 0 | 0 | 0 | 113.4 | T367 | D365-T367 PolarHBondContact O-N 3.43Š|
| 366 | H | 30.2 | Very low | 29.5 | Very low | 104 Ų | 104 | 115.1 Ų | 115.1 | 48% | 0.481 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -79.5 | 117 | -179.9 | -68.4 | -99.6 | 0 | 0 | 0 | 110.4 | ||
| 367 | T | 31.9 | Very low | 29.1 | Very low | 95 Ų | 95 | 115.8 Ų | 115.8 | 58% | 0.583 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 118.3 | 171.4 | -31.1 | 0 | 0 | 0 | 0 | 109.7 | D365 V369 | D365-T367 PolarHBondContact O-N 3.43Å; T367-V369 HydrophobicContact CG2-CG2 4.14Å |
| 368 | V | 32.4 | Very low | 29 | Very low | 98 Ų | 98 | 116 Ų | 116 | 59% | 0.594 | 66% | 0.659 | S | S | * | * | trans | -96.3 | 114.2 | 167.9 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 369 | V | 30.9 | Very low | 28.8 | Very low | 89 Ų | 89 | 118.4 Ų | 118.4 | 54% | 0.539 | 67% | 0.671 | S | S | . | * | trans | -103.6 | 119.9 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 108.2 | T367 S371 | T367-V369 HydrophobicContact CG2-CG2 4.14Å; V369-S371 PolarHBondContact O-N 3.47Å | ||
| 370 | P | 33.2 | Very low | 28.8 | Very low | 94 Ų | 94 | 122.7 Ų | 122.7 | 61% | 0.61 | 68% | 0.678 | S | S | * | * | trans | -67.3 | 118.3 | 171.2 | -3.7 | 16.3 | 0 | 0 | 0 | 109.1 | G372 | P370-G372 VanDerWaalsContact C-N 3.26Å; P370-G372 PolarHBondContact O-N 3.29Å | ||
| 371 | S | 32.3 | Very low | 28.5 | Very low | 48 Ų | 48 | 119.8 Ų | 119.8 | 34% | 0.336 | 67% | 0.671 | S | S | . | * | trans | -79.4 | 82.9 | 166.1 | 39.9 | 0 | 0 | 0 | 0 | 109.1 | P350 V369 | P350-S371 PolarHBondContact O-OG 3.22Å; V369-S371 PolarHBondContact O-N 3.47Å | ||
| 372 | G | 26.7 | Very low | 28.2 | Very low | 51 Ų | 51 | 120.5 Ų | 120.5 | 53% | 0.526 | 67% | 0.674 | S | S | . | * | trans | -163.1 | 73.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | P370 | P370-G372 VanDerWaalsContact C-N 3.26Å; P370-G372 PolarHBondContact O-N 3.29Å | ||
| 373 | D | 27.1 | Very low | 28.2 | Very low | 160 Ų | 160 | 120.1 Ų | 120.1 | 86% | 0.856 | 67% | 0.669 | S | S | * | * | trans | -163.4 | 80.5 | 145.6 | -99.7 | -22.7 | 0 | 0 | 0 | 109.4 | G375 | D373-G375 PolarHBondContact O-N 3.03Š| ||
| 374 | M | 27 | Very low | 28.1 | Very low | 208 Ų | 208 | 116.8 Ų | 116.8 | 100% | 1.025 | 66% | 0.664 | S | S | * | * | trans | -81.6 | 76.9 | 155.9 | -73.7 | -137.7 | -78.6 | 0 | 0 | 107.4 | ||||
| 375 | G | 23.4 | Very low | 27.8 | Very low | 51 Ų | 51 | 116.7 Ų | 116.7 | 53% | 0.526 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -163.1 | 72 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D373 | D373-G375 PolarHBondContact O-N 3.03Š|
| 376 | R | 24 | Very low | 27.7 | Very low | 248 Ų | 248 | 115.7 Ų | 115.7 | 94% | 0.936 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 56.5 | 120.2 | 158 | -62.1 | -179.9 | 175.6 | -166.6 | -2.1 | 117.1 | ||
| 377 | S | 23.4 | Very low | 27.5 | Very low | 109 Ų | 109 | 117.4 Ų | 117.4 | 76% | 0.762 | 67% | 0.669 | S | S | * | * | trans | 81 | 110.9 | 158.2 | -163.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 378 | S | 25 | Very low | 27.1 | Very low | 95 Ų | 95 | 116.1 Ų | 116.1 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | trans | 66.4 | 117.9 | 136 | 68.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 379 | V | 25.1 | Very low | 27 | Very low | 125 Ų | 125 | 116 Ų | 116 | 76% | 0.758 | 67% | 0.673 | S | S | * | * | trans | 74.1 | 97.7 | 155 | -168 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 380 | L | 27.4 | Very low | 26.8 | Very low | 155 Ų | 155 | 121.1 Ų | 121.1 | 81% | 0.812 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 123.9 | 152.4 | -74.4 | 161.2 | 0 | 0 | 0 | 107.1 | ||
| 381 | P | 26.6 | Very low | 26.7 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 50% | 0.5 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 137.8 | 174.1 | 25.2 | -29.8 | 0 | 0 | 0 | 108.1 | E385 | P381-E385 WeakPolarHBondContact CB-OE2 3.42Š|
| 382 | P | 24.9 | Very low | 26.5 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 58% | 0.578 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 149.4 | 176.6 | 22.7 | -30.5 | 0 | 0 | 0 | 109.8 | E384 E385 | P382-E384 PolarHBondContact O-N 3.09Å; P382-E385 PolarHBondContact O-N 3.35Å |
| 383 | V | 28.8 | Very low | 26.8 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 70% | 0.697 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.3 | -5.1 | -172 | 171.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 384 | E | 26.1 | Very low | 27.1 | Very low | 161 Ų | 161 | 134 Ų | 134 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -18.4 | -174.1 | -65.4 | 177.5 | 161.9 | 0 | 0 | 114.2 | P382 L386 | P382-E384 PolarHBondContact O-N 3.09Å; E384-L386 PolarHBondContact O-N 3.15Å |
| 385 | E | 27.1 | Very low | 27.4 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 66% | 0.659 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -10.5 | -177.1 | -79.5 | -172.8 | 157.9 | 0 | 0 | 115.4 | P381 P382 | P381-E385 WeakPolarHBondContact CB-OE2 3.42Å; P382-E385 PolarHBondContact O-N 3.35Å |
| 386 | L | 28.6 | Very low | 27.8 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 61% | 0.607 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -6.4 | 174.7 | -80.1 | 163.9 | 0 | 0 | 0 | 113.8 | E384 G388 | E384-L386 PolarHBondContact O-N 3.15Å; L386-G388 VanDerWaalsContact C-N 3.28Å |
| 387 | I | 26 | Very low | 28.1 | Very low | 141 Ų | 141 | 124.8 Ų | 124.8 | 72% | 0.723 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -7.8 | 179.4 | -63.3 | 173 | 0 | 0 | 0 | 111.5 | ||
| 388 | G | 23.7 | Very low | 28.4 | Very low | 67 Ų | 67 | 124.1 Ų | 124.1 | 69% | 0.691 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 0.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | L386 | L386-G388 VanDerWaalsContact C-N 3.28Š|
| 389 | T | 29.7 | Very low | 28.7 | Very low | 95 Ų | 95 | 127.2 Ų | 127.2 | 58% | 0.583 | 65% | 0.648 | S | S | * | * | trans | -109.1 | 113.3 | 178.5 | 56 | 0 | 0 | 0 | 0 | 111.2 | R391 | T389-R391 PolarHBondContact O-N 2.92Š| ||
| 390 | E | 27.3 | Very low | 28.9 | Very low | 197 Ų | 197 | 123 Ų | 123 | 92% | 0.921 | 63% | 0.627 | S | S | * | * | trans | -63.5 | 43.2 | 177.9 | -61.5 | -177 | 135.5 | 0 | 0 | 114.4 | R392 | E390-R392 VanDerWaalsContact C-N 3.29Å; E390-R392 PolarHBondContact O-N 3.3Å | ||
| 391 | R | 30.3 | Very low | 29.2 | Very low | 228 Ų | 228 | 119.9 Ų | 119.9 | 86% | 0.86 | 62% | 0.623 | S | S | * | * | trans | -91 | 74 | 168.4 | -72.9 | -170.3 | 175.3 | -164.9 | 0.5 | 108.8 | T389 L393 | T389-R391 PolarHBondContact O-N 2.92Å; R391-L393 PolarHBondContact O-N 2.92Å | ||
| 392 | R | 28.6 | Very low | 29.4 | Very low | 236 Ų | 236 | 124 Ų | 124 | 89% | 0.891 | 63% | 0.629 | S | S | * | * | trans | -47.1 | 111.5 | 165.6 | -73.4 | -178.3 | 176.1 | -175 | -0.4 | 108.2 | E390 S394 | E390-R392 VanDerWaalsContact C-N 3.29Å; E390-R392 PolarHBondContact O-N 3.3Å; R392-S394 PolarHBondContact O-N 3.47Å; R392-S394 VanDerWaalsContact O-N 3.16Å | ||
| 393 | L | 32.5 | Very low | 29.5 | Very low | 94 Ų | 94 | 122 Ų | 122 | 49% | 0.492 | 62% | 0.617 | S | S | . | * | trans | -52 | 125.1 | 155.1 | -80.9 | 165.7 | 0 | 0 | 0 | 105.7 | R391 E395 M397 | R391-L393 PolarHBondContact O-N 2.92Å; L393-E395 PolarHBondContact O-N 3.28Å; L393-M397 HydrophobicContact CB-CB 4.43Å; L393-M397 HydrophobicContact CD2-CB 4.1Å; L393-M397 HydrophobicContact CD2-CE 3.77Å; L393-M397 HydrophobicContact CD2-SD 3.81Å | ||
| 394 | S | 34.6 | Very low | 29.5 | Very low | 65 Ų | 65 | 122.5 Ų | 122.5 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | trans | -52 | 138 | 175.6 | 65.6 | 0 | 0 | 0 | 0 | 108.3 | R392 P396 M397 Y398 | R392-S394 PolarHBondContact O-N 3.47Å; R392-S394 VanDerWaalsContact O-N 3.16Å; S394-P396 WeakPolarHBondContact O-CD 3.29Å; S394-M397 PolarHBondContact O-N 3.4Å; S394-Y398 PolarHBondContact O-N 3.45Å | ||
| 395 | E | 32.6 | Very low | 29.5 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 60% | 0.603 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -45.4 | -34 | -179 | -161 | -177.6 | 158.5 | 0 | 0 | 114.3 | L393 Y398 R399 | L393-E395 PolarHBondContact O-N 3.28Å; E395-Y398 PolarHBondContact O-N 2.89Å; E395-R399 WeakPolarHBondContact O-CG 3.3Å; E395-R399 PolarHBondContact O-N 3.28Å; E395-R399 VanDerWaalsContact O-N 3.15Å; E395-R399 IonicContact OE1-CZ 3.59Å; E395-R399 IonicContact OE1-NE 3.71Å; E395-R399 IonicContact OE1-NH2 2.72Å; E395-R399 PolarHBondContact OE1-NH2 3.09Å |
| 396 | P | 30.7 | Very low | 29.5 | Very low | 95 Ų | 95 | 122 Ų | 122 | 62% | 0.617 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.7 | -39 | 171.9 | -24 | 35.3 | 0 | 0 | 0 | 115 | S394 R399 A400 | S394-P396 WeakPolarHBondContact O-CD 3.29Å; P396-R399 PolarHBondContact O-N 3.33Å; P396-A400 PolarHBondContact O-N 2.84Å |
| 397 | M | 30.2 | Very low | 29.3 | Very low | 90 Ų | 90 | 120.5 Ų | 120.5 | 44% | 0.443 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.4 | -35.7 | 178.9 | -72.4 | -174.8 | 77 | 0 | 0 | 111.9 | L393 S394 R399 A400 A401 | L393-M397 HydrophobicContact CB-CB 4.43Å; L393-M397 HydrophobicContact CD2-CB 4.1Å; L393-M397 HydrophobicContact CD2-CE 3.77Å; L393-M397 HydrophobicContact CD2-SD 3.81Å; S394-M397 PolarHBondContact O-N 3.4Å; M397-R399 VanDerWaalsContact C-N 3.3Å; M397-R399 PolarHBondContact O-N 3.46Å; M397-A400 PolarHBondContact O-N 3.49Å; M397-A401 PolarHBondContact O-N 3.06Å; M397-A401 VanDerWaalsContact O-N 3.14Å |
| 398 | Y | 31.1 | Very low | 29.4 | Very low | 95 Ų | 95 | 121.3 Ų | 121.3 | 37% | 0.373 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.8 | -33.3 | 174.6 | -163.6 | -91.6 | 0 | 0 | 0 | 111.8 | S394 E395 | S394-Y398 PolarHBondContact O-N 3.45Å; E395-Y398 PolarHBondContact O-N 2.89Å |
| 399 | R | 30.3 | Very low | 29.5 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.8 | -38.9 | 172.8 | -70.5 | -178.7 | -168.5 | -166.9 | 4.5 | 112.6 | E395 P396 M397 A401 R402 | E395-R399 WeakPolarHBondContact O-CG 3.3Å; E395-R399 PolarHBondContact O-N 3.28Å; E395-R399 VanDerWaalsContact O-N 3.15Å; E395-R399 IonicContact OE1-CZ 3.59Å; E395-R399 IonicContact OE1-NE 3.71Å; E395-R399 IonicContact OE1-NH2 2.72Å; E395-R399 PolarHBondContact OE1-NH2 3.09Å; P396-R399 PolarHBondContact O-N 3.33Å; M397-R399 VanDerWaalsContact C-N 3.3Å; M397-R399 PolarHBondContact O-N 3.46Å; R399-A401 VanDerWaalsContact C-N 3.35Å; R399-A401 PolarHBondContact O-N 3.06Å; R399-R402 PolarHBondContact O-N 3.46Å |
| 400 | A | 29.6 | Very low | 29.4 | Very low | 38 Ų | 38 | 123.1 Ų | 123.1 | 31% | 0.314 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.4 | -37.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P396 M397 R402 S403 | P396-A400 PolarHBondContact O-N 2.84Å; M397-A400 PolarHBondContact O-N 3.49Å; A400-R402 PolarHBondContact O-N 3.23Å; A400-S403 WeakPolarHBondContact O-CB 3.49Å; A400-S403 PolarHBondContact O-N 3.44Å |
| 401 | A | 33 | Very low | 29.6 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -12.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | M397 R399 | M397-A401 PolarHBondContact O-N 3.06Å; M397-A401 VanDerWaalsContact O-N 3.14Å; R399-A401 VanDerWaalsContact C-N 3.35Å; R399-A401 PolarHBondContact O-N 3.06Å |
| 402 | R | 32.1 | Very low | 29.7 | Very low | 165 Ų | 165 | 116 Ų | 116 | 62% | 0.623 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -2.6 | 174.1 | -76.6 | -170.4 | 171.3 | -167.9 | 0.2 | 113.6 | R399 A400 | R399-R402 PolarHBondContact O-N 3.46Å; A400-R402 PolarHBondContact O-N 3.23Å |
| 403 | S | 27.2 | Very low | 29.7 | Very low | 46 Ų | 46 | 108.7 Ų | 108.7 | 32% | 0.322 | 58% | 0.582 | S | S | . | * | trans | -83.9 | 129.5 | 174.5 | 176.2 | 0 | 0 | 0 | 0 | 110.1 | A400 Y405 | A400-S403 WeakPolarHBondContact O-CB 3.49Å; A400-S403 PolarHBondContact O-N 3.44Å; S403-Y405 PolarHBondContact O-N 3.49Å; S403-Y405 VanDerWaalsContact O-N 3.16Å; S403-Y405 PolarHBondContact OG-N 3.17Å; S403-Y405 VanDerWaalsContact OG-N 3.15Å; S403-Y405 PolarHBondContact OG-O 3.5Å; S403-Y405 VanDerWaalsContact OG-O 3.06Å | ||
| 404 | P | 28.6 | Very low | 29.3 | Very low | 125 Ų | 125 | 112.7 Ų | 112.7 | 81% | 0.812 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -67.8 | -6.1 | 170.7 | 28.1 | -32.3 | 0 | 0 | 0 | 112.8 | ||
| 405 | Y | 25.5 | Very low | 29 | Very low | 179 Ų | 179 | 117.6 Ų | 117.6 | 70% | 0.702 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -98.6 | 124.4 | 170.4 | -60.5 | -83.1 | 0 | 0 | 0 | 109.4 | S403 V407 | S403-Y405 PolarHBondContact O-N 3.49Å; S403-Y405 VanDerWaalsContact O-N 3.16Å; S403-Y405 PolarHBondContact OG-N 3.17Å; S403-Y405 VanDerWaalsContact OG-N 3.15Å; S403-Y405 PolarHBondContact OG-O 3.5Å; S403-Y405 VanDerWaalsContact OG-O 3.06Å; Y405-V407 PolarHBondContact O-N 2.92Å |
| 406 | I | 27.6 | Very low | 28.7 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 58% | 0.579 | 64% | 0.641 | S | S | * | * | trans | -56.8 | 101.7 | 168 | -62.7 | 169.7 | 0 | 0 | 0 | 107.3 | F321 Y408 | F321-I406 HydrophobicContact CE1-CG2 4.22Å; F321-I406 HydrophobicContact CZ-CG2 4.47Å; I406-Y408 PolarHBondContact O-N 3.44Å | ||
| 407 | V | 24.2 | Very low | 28.6 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 51% | 0.509 | 64% | 0.642 | S | S | . | * | trans | -80.2 | 111.2 | 172.3 | -178.7 | 0 | 0 | 0 | 0 | 107 | Y405 A409 | Y405-V407 PolarHBondContact O-N 2.92Å; V407-A409 VanDerWaalsContact C-N 3.29Å; V407-A409 PolarHBondContact O-N 3.35Å | ||
| 408 | Y | 27.4 | Very low | 28.6 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 62% | 0.624 | 65% | 0.653 | S | S | * | * | trans | -65.8 | 92.4 | 163.3 | -79.6 | -89.1 | 0 | 0 | 0 | 108.5 | E322 I406 | E322-Y408 PolarHBondContact O-OH 3.34Å; I406-Y408 PolarHBondContact O-N 3.44Å | ||
| 409 | A | 26 | Very low | 28.4 | Very low | 76 Ų | 76 | 125.1 Ų | 125.1 | 63% | 0.628 | 67% | 0.668 | S | S | * | * | trans | -88.9 | 116.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | V407 | V407-A409 VanDerWaalsContact C-N 3.29Å; V407-A409 PolarHBondContact O-N 3.35Å | ||
| 410 | N | 28 | Very low | 28.3 | Very low | 124 Ų | 124 | 123 Ų | 123 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | trans | -67.6 | 135.3 | 166.2 | -170.1 | -4.7 | 0 | 0 | 0 | 108.6 | S412 | N410-S412 PolarHBondContact O-N 2.91Š| ||
| 411 | Y | 31.6 | Very low | 28.2 | Very low | 207 Ų | 207 | 128.3 Ų | 128.3 | 81% | 0.812 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 3.4 | -174.7 | -106.4 | -89.9 | 0 | 0 | 0 | 115 | ||
| 412 | S | 32.6 | Very low | 27.9 | Very low | 69 Ų | 69 | 131 Ų | 131 | 48% | 0.483 | 69% | 0.692 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90 | -9.6 | -173.4 | 68.5 | 0 | 0 | 0 | 0 | 115.5 | N410 K414 | N410-S412 PolarHBondContact O-N 2.91Å; S412-K414 PolarHBondContact O-N 3.32Å |
| 413 | G | 28.2 | Very low | 27.6 | Very low | 81 Ų | 81 | 128.6 Ų | 128.6 | 84% | 0.835 | 70% | 0.697 | S | S | * | * | trans | 58.8 | 10 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 414 | K | 25 | Very low | 27.6 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -108 | 130 | 174.7 | -70.7 | -175.1 | 179.1 | -179.1 | 0 | 108.3 | S412 | S412-K414 PolarHBondContact O-N 3.32Š|
| 415 | K | 27.1 | Very low | 27.6 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | trans | -53 | 133.1 | -176.8 | -66.9 | 175.1 | 179.7 | 168.6 | 0 | 111.3 | F220 | F220-K415 VanDerWaalsContact CZ-NZ 3.32Š| ||
| 416 | C | 27.6 | Very low | 27.8 | Very low | 191 Ų | 191 | 131.8 Ų | 131.8 | 100% | 1.291 | 72% | 0.721 | S | S | * | * | trans | -77.5 | 0 | 148.9 | -76 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 416 of 416 residues in 111.5 ms
(Link to these results)