| 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 | 34.7 | Very low | 39.3 | Very low | 239 Ų | 239 | 138.5 Ų | 138.5 | 100% | 1.177 | 81% | 0.811 | S | S | * | * | 0 | 131.8 | 0 | -72.5 | 178.2 | 179.6 | 0 | 0 | 107.2 | |||||
| 2 | S | 34.4 | Very low | 38.5 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | cis | -156.8 | 141 | -1.5 | -78.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3 | K | 35.7 | Very low | 38.1 | Very low | 207 Ų | 207 | 142.2 Ų | 142.2 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | trans | 38.3 | 137.7 | 142.1 | -60.7 | -177.1 | 175.7 | -179.1 | 0 | 122.4 | ||||
| 4 | S | 38 | Very low | 37.2 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | trans | -78 | 179.6 | 161.1 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 5 | P | 60.2 | Low | 36.9 | Very low | 103 Ų | 103 | 147 Ų | 147 | 67% | 0.669 | 82% | 0.823 | S | S | * | * | -160.7 | 145.2 | 91.6 | 40.8 | -20 | 0 | 0 | 0 | 120.5 | |||||
| 6 | T | 40 | Very low | 37.5 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 57.7 | -178.7 | 136.3 | 69.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 7 | P | 55 | Low | 36.9 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | cis | -144.6 | -179.3 | 4.3 | 46 | -26.6 | 0 | 0 | 0 | 120.7 | ||||
| 8 | K | 33.6 | Very low | 36.5 | Very low | 208 Ų | 208 | 144.8 Ų | 144.8 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | trans | 76.1 | 151.3 | 165.6 | -56.1 | 169.4 | -175.5 | 176.8 | 0 | 117.1 | ||||
| 9 | G | 30.6 | Very low | 36 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | cis | -178.7 | 153.2 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 10 | T | 28.1 | Very low | 35.6 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | trans | -81.1 | 173 | -174.2 | 13.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 11 | P | 42.3 | Very low | 35.9 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | -158.6 | 159.8 | 45.4 | 44.1 | -21 | 0 | 0 | 0 | 123.5 | ||||
| 12 | V | 29.7 | Very low | 35.6 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | 70.6 | 145.4 | 134.4 | 173.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 13 | Q | 32.6 | Very low | 35.2 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -99.2 | 173.5 | 179.8 | -54.9 | 170.7 | -50.3 | 0 | 0 | 114.7 | ||||
| 14 | R | 26.6 | Very low | 34.9 | Very low | 246 Ų | 246 | 135.3 Ų | 135.3 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | trans | -159.5 | 150.2 | 144.6 | -109.4 | 175.2 | -164.1 | -162.3 | 3.2 | 114.2 | ||||
| 15 | S | 31.5 | Very low | 34.4 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -129.4 | -171.8 | 165.6 | -48.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 16 | P | 46.7 | Very low | 32.8 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | cis | -136.5 | -171.1 | -0.6 | 44.4 | -26.6 | 0 | 0 | 0 | 114.7 | ||||
| 17 | S | 27.8 | Very low | 32.4 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 176.2 | 157 | 137.5 | 42.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 18 | D | 29.8 | Very low | 31.2 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | trans | -84.3 | 155.9 | -159.3 | -44.7 | -73.5 | 0 | 0 | 0 | 118.1 | ||||
| 19 | G | 27.4 | Very low | 31 | Very low | 66 Ų | 66 | 142.9 Ų | 142.9 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | 102.6 | 80.4 | 112.2 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 20 | V | 27.4 | Very low | 30.9 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | 67 | 157.2 | 133.8 | 176.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 21 | P | 41.3 | Very low | 31.1 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | cis | -121.9 | 153.3 | -5.2 | 21.6 | 1.9 | 0 | 0 | 0 | 118 | ||||
| 22 | E | 28.7 | Very low | 30.9 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | 28 | 129.9 | 125.2 | -164.8 | 168.7 | -126.1 | 0 | 0 | 123.2 | |||||
| 23 | S | 26.7 | Very low | 31.5 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -158.6 | 135.9 | 134.4 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 24 | L | 28.6 | Very low | 32.1 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | 46.3 | 106.7 | 155.3 | -63.2 | 170.8 | 0 | 0 | 0 | 120 | ||||
| 25 | Q | 28.7 | Very low | 32.9 | Very low | 191 Ų | 191 | 127.2 Ų | 127.2 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -111.1 | 153.6 | 159.2 | -155.6 | 174.3 | 41.2 | 0 | 0 | 109.7 | ||||
| 26 | S | 25.4 | Very low | 33.6 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -144.2 | 143.3 | 171.5 | -72.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 27 | P | 32.9 | Very low | 33.9 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 152.9 | -154.5 | 36 | -36.5 | 0 | 0 | 0 | 114.7 | ||
| 28 | Q | 28 | Very low | 35 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 138.3 | 161.6 | -69 | -164.8 | -7.5 | 0 | 0 | 111.1 | ||
| 29 | H | 30.1 | Very low | 36.5 | Very low | 194 Ų | 194 | 132.6 Ų | 132.6 | 90% | 0.898 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 136.7 | 176.4 | -92.9 | -97.7 | 0 | 0 | 0 | 112 | ||
| 30 | S | 28.6 | Very low | 37.6 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | -117.8 | 141.2 | 166.1 | 57.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 31 | T | 32.6 | Very low | 39.1 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 77% | 0.767 | 71% | 0.706 | S | S | * | * | trans | -91.3 | 126.8 | -172 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | V33 | T31-V33 PolarHBondContact O-N 3.11Š| ||
| 32 | P | 37.8 | Very low | 40.2 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 70% | 0.699 | S | S | * | * | trans | -91 | 57.9 | -161.9 | 36.4 | -39 | 0 | 0 | 0 | 115.5 | S34 G35 | P32-S34 PolarHBondContact O-N 3.41Å; P32-G35 PolarHBondContact O-N 3.25Å | ||
| 33 | V | 42.1 | Very low | 41.9 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 68% | 0.679 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -64 | -25.6 | -178.3 | -176.3 | 0 | 0 | 0 | 0 | 113.4 | T31 G35 | T31-V33 PolarHBondContact O-N 3.11Å; V33-G35 VanDerWaalsContact C-N 3.3Å; V33-G35 PolarHBondContact O-N 3.38Å |
| 34 | S | 45.8 | Very low | 43.5 | Very low | 77 Ų | 77 | 121.6 Ų | 121.6 | 54% | 0.538 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -66.4 | -27.7 | 178.3 | -166.1 | 0 | 0 | 0 | 0 | 113.6 | P32 K38 | P32-S34 PolarHBondContact O-N 3.41Å; S34-K38 PolarHBondContact O-N 3.47Å |
| 35 | G | 43.8 | Very low | 45.1 | Very low | 38 Ų | 38 | 118.4 Ų | 118.4 | 39% | 0.392 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.9 | -42.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P32 V33 K38 R39 | P32-G35 PolarHBondContact O-N 3.25Å; V33-G35 VanDerWaalsContact C-N 3.3Å; V33-G35 PolarHBondContact O-N 3.38Å; G35-K38 PolarHBondContact O-N 3Å; G35-R39 WeakPolarHBondContact O-CB 3.49Å; G35-R39 PolarHBondContact O-N 3.2Å |
| 36 | H | 46.2 | Very low | 47.4 | Very low | 125 Ų | 125 | 110.5 Ų | 110.5 | 58% | 0.579 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.5 | -45.2 | -177.3 | -88.1 | -121.1 | 0 | 0 | 0 | 112.5 | K38 R39 I40 | H36-K38 VanDerWaalsContact C-N 3.32Å; H36-K38 PolarHBondContact O-N 2.88Å; H36-R39 PolarHBondContact O-N 2.92Å; H36-I40 WeakPolarHBondContact O-CB 3.4Å; H36-I40 WeakPolarHBondContact O-CD1 3.25Å; H36-I40 VanDerWaalsContact O-CG1 3.29Å; H36-I40 WeakPolarHBondContact O-CG1 3.29Å; H36-I40 PolarHBondContact O-N 2.93Å |
| 37 | K | 51.5 | Low | 49.3 | Very low | 166 Ų | 166 | 109.7 Ų | 109.7 | 72% | 0.722 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.8 | -39.5 | 179.1 | -66 | -172.4 | 178.4 | -175.8 | 0 | 111.8 | S41 | K37-S41 WeakPolarHBondContact O-CB 3.33Å; K37-S41 PolarHBondContact O-N 3.33Å |
| 38 | K | 51.9 | Low | 51.2 | Low | 148 Ų | 148 | 107.2 Ų | 107.2 | 64% | 0.643 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.1 | -43.3 | 174.9 | -68.5 | -178 | 179.2 | -178.2 | 0 | 112.4 | S34 G35 H36 S41 S42 | S34-K38 PolarHBondContact O-N 3.47Å; G35-K38 PolarHBondContact O-N 3Å; H36-K38 VanDerWaalsContact C-N 3.32Å; H36-K38 PolarHBondContact O-N 2.88Å; K38-S41 PolarHBondContact O-N 3.38Å; K38-S42 WeakPolarHBondContact O-CB 3.31Å; K38-S42 PolarHBondContact O-N 3.46Å |
| 39 | R | 60.2 | Low | 53.5 | Low | 184 Ų | 184 | 100.8 Ų | 100.8 | 69% | 0.694 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.4 | -44 | 177.7 | -173 | -179.6 | -72.6 | 173.6 | -4 | 112.1 | G35 H36 S42 L43 | G35-R39 WeakPolarHBondContact O-CB 3.49Å; G35-R39 PolarHBondContact O-N 3.2Å; H36-R39 PolarHBondContact O-N 2.92Å; R39-S42 PolarHBondContact O-N 3.41Å; R39-L43 PolarHBondContact O-N 3.02Å |
| 40 | I | 52 | Low | 55.5 | Low | 95 Ų | 95 | 94.4 Ų | 94.4 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 177.4 | -67.7 | 162.3 | 0 | 0 | 0 | 110.9 | H36 S42 L43 L44 | H36-I40 WeakPolarHBondContact O-CB 3.4Å; H36-I40 WeakPolarHBondContact O-CD1 3.25Å; H36-I40 VanDerWaalsContact O-CG1 3.29Å; H36-I40 WeakPolarHBondContact O-CG1 3.29Å; H36-I40 PolarHBondContact O-N 2.93Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.45Å; I40-L43 PolarHBondContact O-N 3.19Å; I40-L44 HydrophobicContact CG2-CD1 3.96Å; I40-L44 HydrophobicContact CG2-CG 4.45Å; I40-L44 WeakPolarHBondContact O-CG 3.19Å; I40-L44 PolarHBondContact O-N 2.73Å |
| 41 | S | 58 | Low | 57.6 | Low | 54 Ų | 54 | 95.7 Ų | 95.7 | 38% | 0.378 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 174.5 | -167.9 | 0 | 0 | 0 | 0 | 112.1 | K37 K38 L43 L44 Q45 | K37-S41 WeakPolarHBondContact O-CB 3.33Å; K37-S41 PolarHBondContact O-N 3.33Å; K38-S41 PolarHBondContact O-N 3.38Å; S41-L43 VanDerWaalsContact C-N 3.34Å; S41-L43 PolarHBondContact O-N 2.87Å; S41-L44 PolarHBondContact O-N 3.41Å; S41-Q45 WeakPolarHBondContact O-CB 3.06Å; S41-Q45 VanDerWaalsContact O-CG 3.31Å; S41-Q45 WeakPolarHBondContact O-CG 3.38Å; S41-Q45 PolarHBondContact O-N 3.29Å |
| 42 | S | 64.3 | Low | 59.8 | Low | 79 Ų | 79 | 95.6 Ų | 95.6 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -38.8 | 175.5 | -168.8 | 0 | 0 | 0 | 0 | 112.5 | K38 R39 I40 Q45 S46 | K38-S42 WeakPolarHBondContact O-CB 3.31Å; K38-S42 PolarHBondContact O-N 3.46Å; R39-S42 PolarHBondContact O-N 3.41Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.45Å; S42-Q45 PolarHBondContact O-N 3Å; S42-S46 PolarHBondContact O-N 2.87Å |
| 43 | L | 65.2 | Low | 61.6 | Low | 99 Ų | 99 | 90.7 Ų | 90.7 | 52% | 0.518 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 176.9 | -163.4 | 72.3 | 0 | 0 | 0 | 111.9 | R39 I40 S41 Q45 S46 | R39-L43 PolarHBondContact O-N 3.02Å; I40-L43 PolarHBondContact O-N 3.19Å; S41-L43 VanDerWaalsContact C-N 3.34Å; S41-L43 PolarHBondContact O-N 2.87Å; L43-Q45 PolarHBondContact O-N 3.46Å; L43-S46 WeakPolarHBondContact O-CB 3.2Å; L43-S46 PolarHBondContact O-N 3.42Å; L43-S46 VanDerWaalsContact O-N 3.09Å; L43-S46 PolarHBondContact O-OG 2.98Å |
| 44 | L | 59.4 | Low | 63.1 | Low | 55 Ų | 55 | 89.4 Ų | 89.4 | 29% | 0.288 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.4 | -19.5 | 176.5 | -67 | 170.8 | 0 | 0 | 0 | 113.4 | I40 S41 F49 R50 M80 | I40-L44 HydrophobicContact CG2-CD1 3.96Å; I40-L44 HydrophobicContact CG2-CG 4.45Å; I40-L44 WeakPolarHBondContact O-CG 3.19Å; I40-L44 PolarHBondContact O-N 2.73Å; S41-L44 PolarHBondContact O-N 3.41Å; L44-F49 HydrophobicContact CD2-CE1 4.03Å; L44-R50 PolarHBondContact O-NH2 3.05Å; L44-M80 HydrophobicContact CD2-CG 4.34Å; L44-M80 HydrophobicContact CD2-SD 4.09Å; L44-M80 VanDerWaalsContact O-CE 3.28Å; L44-M80 WeakPolarHBondContact O-CE 3.5Å |
| 45 | Q | 62.5 | Low | 64.8 | Low | 104 Ų | 104 | 90.2 Ų | 90.2 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -94.1 | -11.2 | 173.6 | -69.8 | 173.3 | -7 | 0 | 0 | 113.3 | S41 S42 L43 | S41-Q45 WeakPolarHBondContact O-CB 3.06Å; S41-Q45 VanDerWaalsContact O-CG 3.31Å; S41-Q45 WeakPolarHBondContact O-CG 3.38Å; S41-Q45 PolarHBondContact O-N 3.29Å; S42-Q45 PolarHBondContact O-N 3Å; L43-Q45 PolarHBondContact O-N 3.46Å |
| 46 | S | 77.1 | Confident | 66.3 | Low | 25 Ų | 25 | 91.9 Ų | 91.9 | 18% | 0.175 | 46% | 0.463 | C | S | . | . | trans | -69.5 | 137.5 | -179.4 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | S42 L43 F49 | S42-S46 PolarHBondContact O-N 2.87Å; L43-S46 WeakPolarHBondContact O-CB 3.2Å; L43-S46 PolarHBondContact O-N 3.42Å; L43-S46 VanDerWaalsContact O-N 3.09Å; L43-S46 PolarHBondContact O-OG 2.98Å; S46-F49 WeakPolarHBondContact OG-CB 3.38Å | ||
| 47 | P | 66.3 | Low | 67.9 | Low | 90 Ų | 90 | 86.4 Ų | 86.4 | 58% | 0.584 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | 175.4 | -24.5 | 35.3 | 0 | 0 | 0 | 113.2 | F49 R50 E51 | P47-F49 PolarHBondContact O-N 2.93Å; P47-R50 WeakPolarHBondContact O-CB 3.25Å; P47-R50 PolarHBondContact O-N 3.25Å; P47-E51 PolarHBondContact O-N 2.8Å; P47-E51 VanDerWaalsContact O-N 3.09Å |
| 48 | S | 71.4 | Confident | 69 | Low | 67 Ų | 67 | 83.8 Ų | 83.8 | 47% | 0.469 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | -177.9 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | R50 E51 E52 | S48-R50 PolarHBondContact O-N 3.17Å; S48-E51 PolarHBondContact O-N 2.85Å; S48-E51 VanDerWaalsContact O-N 3.15Å; S48-E52 WeakPolarHBondContact O-CG 3.42Å; S48-E52 PolarHBondContact O-N 3.01Å |
| 49 | F | 76.3 | Confident | 70.2 | Confident | 61 Ų | 61 | 80.6 Ų | 80.6 | 27% | 0.268 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.8 | -24.6 | 177.8 | -176.4 | -119.1 | 0 | 0 | 0 | 112.5 | L44 S46 P47 L53 M80 | L44-F49 HydrophobicContact CD2-CE1 4.03Å; S46-F49 WeakPolarHBondContact OG-CB 3.38Å; P47-F49 PolarHBondContact O-N 2.93Å; F49-L53 HydrophobicContact CE1-CD1 4.31Å; F49-L53 HydrophobicContact CZ-CD1 4.35Å; F49-L53 WeakPolarHBondContact O-CB 3.44Å; F49-L53 PolarHBondContact O-N 3.27Å; F49-M80 HydrophobicContact CD1-CE 3.38Å; F49-M80 HydrophobicContact CD1-SD 4.18Å; F49-M80 HydrophobicContact CE1-CE 3.81Å; F49-M80 HydrophobicContact CE1-SD 3.97Å; F49-M80 HydrophobicContact CG-CE 4.39Å |
| 50 | R | 72 | Confident | 70.7 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 23% | 0.226 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -73.3 | -42.9 | 172 | -66.4 | 170.5 | -172.7 | -165.9 | -3.2 | 111.6 | L44 P47 S48 L53 D54 M80 | L44-R50 PolarHBondContact O-NH2 3.05Å; P47-R50 WeakPolarHBondContact O-CB 3.25Å; P47-R50 PolarHBondContact O-N 3.25Å; S48-R50 PolarHBondContact O-N 3.17Å; R50-L53 PolarHBondContact O-N 3.03Å; R50-D54 PolarHBondContact O-N 2.97Å; R50-M80 HydrophobicContact CB-CE 4.5Å; R50-M80 HydrophobicContact CG-CE 3.38Å; R50-M80 VanDerWaalsContact CZ-O 3.3Å; R50-M80 PolarHBondContact NH2-O 2.62Å |
| 51 | E | 73.8 | Confident | 71.6 | Confident | 135 Ų | 135 | 75.1 Ų | 75.1 | 63% | 0.631 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.4 | -42.1 | 178.6 | -68.6 | 171.8 | -173.1 | 0 | 0 | 111.2 | P47 S48 L53 V55 | P47-E51 PolarHBondContact O-N 2.8Å; P47-E51 VanDerWaalsContact O-N 3.09Å; S48-E51 PolarHBondContact O-N 2.85Å; S48-E51 VanDerWaalsContact O-N 3.15Å; E51-L53 PolarHBondContact O-N 3.14Å; E51-V55 VanDerWaalsContact O-CG2 3.3Å; E51-V55 WeakPolarHBondContact O-CG2 3.49Å; E51-V55 PolarHBondContact O-N 2.69Å |
| 52 | E | 77.6 | Confident | 72.3 | Confident | 123 Ų | 123 | 80.8 Ų | 80.8 | 58% | 0.575 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.1 | -43.7 | 171.3 | -72.9 | 169.6 | -170.2 | 0 | 0 | 112.4 | S48 V55 L56 | S48-E52 WeakPolarHBondContact O-CG 3.42Å; S48-E52 PolarHBondContact O-N 3.01Å; E52-V55 PolarHBondContact O-N 3.24Å; E52-L56 WeakPolarHBondContact O-CB 3.34Å; E52-L56 PolarHBondContact O-N 3.15Å |
| 53 | L | 76.4 | Confident | 72.7 | Confident | 8 Ų | 8 | 83.5 Ų | 83.5 | 4% | 0.042 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70 | -41.2 | -178.4 | -156.3 | 174 | 0 | 0 | 0 | 111.5 | F49 R50 E51 V55 L56 I57 L73 L76 A77 M80 | F49-L53 HydrophobicContact CE1-CD1 4.31Å; F49-L53 HydrophobicContact CZ-CD1 4.35Å; F49-L53 WeakPolarHBondContact O-CB 3.44Å; F49-L53 PolarHBondContact O-N 3.27Å; R50-L53 PolarHBondContact O-N 3.03Å; E51-L53 PolarHBondContact O-N 3.14Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-V55 PolarHBondContact O-N 3.19Å; L53-L56 PolarHBondContact O-N 3.38Å; L53-I57 HydrophobicContact CD2-CD1 3.54Å; L53-I57 HydrophobicContact CD2-CG1 3.98Å; L53-I57 WeakPolarHBondContact O-CG1 3.42Å; L53-I57 PolarHBondContact O-N 3.38Å; L53-L73 HydrophobicContact CD2-CB 4.06Å; L53-L73 HydrophobicContact CD2-CD2 4.13Å; L53-L73 WeakPolarHBondContact CD2-O 3.4Å; L53-L73 HydrophobicContact CG-CD2 4.36Å; L53-L76 HydrophobicContact CD1-CB 3.93Å; L53-A77 HydrophobicContact CD2-CB 4.17Å; L53-M80 HydrophobicContact CD1-SD 3.81Å |
| 54 | D | 74.3 | Confident | 72.4 | Confident | 84 Ų | 84 | 82 Ų | 82 | 45% | 0.449 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 172.7 | -95.2 | -19.8 | 0 | 0 | 0 | 112.5 | R50 Q58 | R50-D54 PolarHBondContact O-N 2.97Å; D54-Q58 VanDerWaalsContact O-CG 3.32Å; D54-Q58 WeakPolarHBondContact O-CG 3.37Å; D54-Q58 PolarHBondContact O-N 3.18Å; D54-Q58 VanDerWaalsContact O-N 3.08Å; D54-Q58 PolarHBondContact O-NE2 3.24Å |
| 55 | V | 80.2 | Confident | 72.1 | Confident | 94 Ų | 94 | 80.4 Ų | 80.4 | 57% | 0.57 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.2 | -45.3 | 171.7 | 167 | 0 | 0 | 0 | 0 | 110.6 | E51 E52 L53 I57 Q58 E59 | E51-V55 VanDerWaalsContact O-CG2 3.3Å; E51-V55 WeakPolarHBondContact O-CG2 3.49Å; E51-V55 PolarHBondContact O-N 2.69Å; E52-V55 PolarHBondContact O-N 3.24Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-V55 PolarHBondContact O-N 3.19Å; V55-I57 PolarHBondContact O-N 3.34Å; V55-Q58 PolarHBondContact O-N 2.91Å; V55-Q58 VanDerWaalsContact O-N 3.16Å; V55-E59 PolarHBondContact O-N 3.4Å |
| 56 | L | 76.6 | Confident | 72 | Confident | 73 Ų | 73 | 81.6 Ų | 81.6 | 38% | 0.382 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 179.6 | -164.6 | 68.7 | 0 | 0 | 0 | 112.1 | E52 L53 E59 Q60 L73 | E52-L56 WeakPolarHBondContact O-CB 3.34Å; E52-L56 PolarHBondContact O-N 3.15Å; L53-L56 PolarHBondContact O-N 3.38Å; L56-E59 PolarHBondContact O-N 3.17Å; L56-Q60 VanDerWaalsContact O-CG 3.32Å; L56-Q60 WeakPolarHBondContact O-CG 3.38Å; L56-Q60 PolarHBondContact O-N 2.86Å; L56-L73 HydrophobicContact CD2-CD1 3.83Å; L56-L73 HydrophobicContact CD2-CD2 3.89Å; L56-L73 HydrophobicContact CG-CD1 3.95Å |
| 57 | I | 78 | Confident | 71.3 | Confident | 10 Ų | 10 | 82.8 Ų | 82.8 | 5% | 0.051 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 171.4 | -70.3 | 166.7 | 0 | 0 | 0 | 110.5 | L53 V55 E59 Q60 M61 L73 R74 A77 | L53-I57 HydrophobicContact CD2-CD1 3.54Å; L53-I57 HydrophobicContact CD2-CG1 3.98Å; L53-I57 WeakPolarHBondContact O-CG1 3.42Å; L53-I57 PolarHBondContact O-N 3.38Å; V55-I57 PolarHBondContact O-N 3.34Å; I57-E59 VanDerWaalsContact C-N 3.31Å; I57-E59 PolarHBondContact O-N 3.25Å; I57-Q60 PolarHBondContact O-N 3.4Å; I57-M61 HydrophobicContact CG2-CG 4.4Å; I57-M61 HydrophobicContact CG2-SD 4.03Å; I57-M61 WeakPolarHBondContact O-CB 3.42Å; I57-M61 WeakPolarHBondContact O-CG 3.48Å; I57-M61 PolarHBondContact O-N 2.91Å; I57-L73 HydrophobicContact CD1-CB 4.22Å; I57-L73 HydrophobicContact CG1-CB 3.66Å; I57-R74 HydrophobicContact CD1-CB 4.44Å; I57-A77 HydrophobicContact CD1-CB 3.97Å |
| 58 | Q | 74.9 | Confident | 71 | Confident | 112 Ų | 112 | 83 Ų | 83 | 52% | 0.523 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64 | -35.3 | -179.9 | -74.5 | 175.4 | 61.6 | 0 | 0 | 112.6 | D54 V55 K62 | D54-Q58 VanDerWaalsContact O-CG 3.32Å; D54-Q58 WeakPolarHBondContact O-CG 3.37Å; D54-Q58 PolarHBondContact O-N 3.18Å; D54-Q58 VanDerWaalsContact O-N 3.08Å; D54-Q58 PolarHBondContact O-NE2 3.24Å; V55-Q58 PolarHBondContact O-N 2.91Å; V55-Q58 VanDerWaalsContact O-N 3.16Å; Q58-K62 WeakPolarHBondContact O-CG 3.4Å; Q58-K62 PolarHBondContact O-N 3.1Å |
| 59 | E | 77.4 | Confident | 70.7 | Confident | 80 Ų | 80 | 84.7 Ų | 84.7 | 37% | 0.374 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 175.7 | -160.6 | -168.3 | 168.4 | 0 | 0 | 111.8 | V55 L56 I57 M61 K62 K63 | V55-E59 PolarHBondContact O-N 3.4Å; L56-E59 PolarHBondContact O-N 3.17Å; I57-E59 VanDerWaalsContact C-N 3.31Å; I57-E59 PolarHBondContact O-N 3.25Å; E59-M61 VanDerWaalsContact C-N 3.34Å; E59-M61 PolarHBondContact O-N 3.2Å; E59-K62 PolarHBondContact O-N 3.32Å; E59-K63 HydrophobicContact CG-CD 4.31Å; E59-K63 WeakPolarHBondContact O-CG 3.3Å; E59-K63 PolarHBondContact O-N 3.48Å; E59-K63 VanDerWaalsContact OE1-CE 3.28Å; E59-K63 WeakPolarHBondContact OE1-CE 3.33Å; E59-K63 IonicContact OE1-NZ 3.32Å; E59-K63 PolarHBondContact OE1-NZ 3.23Å |
| 60 | Q | 71.5 | Confident | 70.6 | Confident | 54 Ų | 54 | 83.3 Ų | 83.3 | 25% | 0.252 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 175 | -67.8 | -64 | -40.9 | 0 | 0 | 112 | L56 I57 K63 G65 L70 L73 | L56-Q60 VanDerWaalsContact O-CG 3.32Å; L56-Q60 WeakPolarHBondContact O-CG 3.38Å; L56-Q60 PolarHBondContact O-N 2.86Å; I57-Q60 PolarHBondContact O-N 3.4Å; Q60-K63 PolarHBondContact O-N 3.34Å; Q60-G65 PolarHBondContact O-N 2.9Å; Q60-L70 HydrophobicContact CB-CB 4.44Å; Q60-L70 HydrophobicContact CB-CD1 3.96Å; Q60-L70 HydrophobicContact CB-CG 4.25Å; Q60-L73 HydrophobicContact CG-CD1 4.43Å |
| 61 | M | 70.2 | Confident | 70.2 | Confident | 110 Ų | 110 | 88 Ų | 88 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 172.4 | -74.1 | -177.1 | 71.7 | 0 | 0 | 112.1 | I57 E59 G64 L70 | I57-M61 HydrophobicContact CG2-CG 4.4Å; I57-M61 HydrophobicContact CG2-SD 4.03Å; I57-M61 WeakPolarHBondContact O-CB 3.42Å; I57-M61 WeakPolarHBondContact O-CG 3.48Å; I57-M61 PolarHBondContact O-N 2.91Å; E59-M61 VanDerWaalsContact C-N 3.34Å; E59-M61 PolarHBondContact O-N 3.2Å; M61-G64 PolarHBondContact O-N 2.6Å; M61-L70 HydrophobicContact CG-CD1 3.83Å; M61-L70 HydrophobicContact CG-CD2 4.41Å; M61-L70 HydrophobicContact CG-CG 4.4Å |
| 62 | K | 73.4 | Confident | 70 | Confident | 174 Ų | 174 | 83.8 Ų | 83.8 | 76% | 0.757 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.4 | -33.3 | 176.2 | -78.6 | 179.2 | 177.3 | -178.8 | 0 | 113.1 | Q58 E59 G64 | Q58-K62 WeakPolarHBondContact O-CG 3.4Å; Q58-K62 PolarHBondContact O-N 3.1Å; E59-K62 PolarHBondContact O-N 3.32Å; K62-G64 PolarHBondContact O-N 3.35Å |
| 63 | K | 72.8 | Confident | 69.8 | Low | 136 Ų | 136 | 79.5 Ų | 79.5 | 59% | 0.591 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 3.6 | 178 | -73.9 | 173 | 171.7 | 174.7 | 0 | 114 | E59 Q60 G65 | E59-K63 HydrophobicContact CG-CD 4.31Å; E59-K63 WeakPolarHBondContact O-CG 3.3Å; E59-K63 PolarHBondContact O-N 3.48Å; E59-K63 VanDerWaalsContact OE1-CE 3.28Å; E59-K63 WeakPolarHBondContact OE1-CE 3.33Å; E59-K63 IonicContact OE1-NZ 3.32Å; E59-K63 PolarHBondContact OE1-NZ 3.23Å; Q60-K63 PolarHBondContact O-N 3.34Å; K63-G65 PolarHBondContact O-N 2.83Å |
| 64 | G | 57.8 | Low | 69.5 | Low | 66 Ų | 66 | 85 Ų | 85 | 68% | 0.68 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 12.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | M61 K62 S66 | M61-G64 PolarHBondContact O-N 2.6Å; K62-G64 PolarHBondContact O-N 3.35Å; G64-S66 PolarHBondContact O-N 2.73Å |
| 65 | G | 53.1 | Low | 69 | Low | 23 Ų | 23 | 86.6 Ų | 86.6 | 24% | 0.237 | 47% | 0.465 | C | S | . | . | trans | -76.1 | 81.4 | -170 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q60 K63 S67 | Q60-G65 PolarHBondContact O-N 2.9Å; K63-G65 PolarHBondContact O-N 2.83Å; G65-S67 PolarHBondContact O-N 3.39Å | ||
| 66 | S | 62 | Low | 68.3 | Low | 129 Ų | 129 | 86 Ų | 86 | 90% | 0.902 | 46% | 0.458 | S | S | * | . | trans | -68.9 | 80.1 | 169.2 | -174 | 0 | 0 | 0 | 0 | 110.7 | G64 | G64-S66 PolarHBondContact O-N 2.73Š| ||
| 67 | S | 61.6 | Low | 67.7 | Low | 49 Ų | 49 | 83.7 Ų | 83.7 | 34% | 0.343 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -138.4 | 156.6 | -178.5 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | G65 N69 L70 | G65-S67 PolarHBondContact O-N 3.39Å; S67-N69 PolarHBondContact O-N 3.39Å; S67-N69 VanDerWaalsContact O-N 3.13Å; S67-L70 PolarHBondContact O-N 3.27Å |
| 68 | S | 60.2 | Low | 66.9 | Low | 94 Ų | 94 | 88.2 Ų | 88.2 | 66% | 0.657 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -51.6 | -33.1 | 177.2 | 44.7 | 0 | 0 | 0 | 0 | 113.4 | L70 W71 A72 | S68-L70 PolarHBondContact O-N 3.42Å; S68-W71 CarbonylContact O-C 3.59Å; S68-W71 PolarHBondContact O-N 2.89Å; S68-W71 VanDerWaalsContact O-N 3.13Å; S68-A72 WeakPolarHBondContact O-CB 3.25Å; S68-A72 PolarHBondContact O-N 2.65Å |
| 69 | N | 65.5 | Low | 66.3 | Low | 104 Ų | 104 | 88.3 Ų | 88.3 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -58.8 | -41.9 | -179.7 | -61.7 | -19.9 | 0 | 0 | 0 | 112.8 | S67 W71 A72 L73 | S67-N69 PolarHBondContact O-N 3.39Å; S67-N69 VanDerWaalsContact O-N 3.13Å; N69-W71 VanDerWaalsContact C-N 3.3Å; N69-W71 PolarHBondContact O-N 3.41Å; N69-A72 PolarHBondContact O-N 3.34Å; N69-L73 WeakPolarHBondContact O-CG 3.43Å; N69-L73 PolarHBondContact O-N 2.89Å |
| 70 | L | 73 | Confident | 65.4 | Low | 32 Ų | 32 | 84.7 Ų | 84.7 | 17% | 0.168 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.9 | -37.4 | 177.6 | -173.2 | 159.5 | 0 | 0 | 0 | 111.1 | Q60 M61 S67 S68 R74 | Q60-L70 HydrophobicContact CB-CB 4.44Å; Q60-L70 HydrophobicContact CB-CD1 3.96Å; Q60-L70 HydrophobicContact CB-CG 4.25Å; M61-L70 HydrophobicContact CG-CD1 3.83Å; M61-L70 HydrophobicContact CG-CD2 4.41Å; M61-L70 HydrophobicContact CG-CG 4.4Å; S67-L70 PolarHBondContact O-N 3.27Å; S68-L70 PolarHBondContact O-N 3.42Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 PolarHBondContact O-N 3.31Å; L70-R74 VanDerWaalsContact O-N 3.09Å |
| 71 | W | 63.6 | Low | 64.9 | Low | 159 Ų | 159 | 85.3 Ų | 85.3 | 60% | 0.602 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -74 | -35.4 | 176.7 | -127.6 | 95.4 | 0 | 0 | 0 | 112.6 | S68 N69 R74 Q75 | S68-W71 CarbonylContact O-C 3.59Å; S68-W71 PolarHBondContact O-N 2.89Å; S68-W71 VanDerWaalsContact O-N 3.13Å; N69-W71 VanDerWaalsContact C-N 3.3Å; N69-W71 PolarHBondContact O-N 3.41Å; W71-R74 PolarHBondContact O-N 3.49Å; W71-Q75 HydrophobicContact CE3-CG 3.68Å; W71-Q75 HydrophobicContact CZ3-CG 3.6Å; W71-Q75 PolarHBondContact O-N 3.16Å |
| 72 | A | 70.3 | Confident | 64.1 | Low | 46 Ų | 46 | 84.1 Ų | 84.1 | 38% | 0.38 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S68 N69 R74 Q75 L76 | S68-A72 WeakPolarHBondContact O-CB 3.25Å; S68-A72 PolarHBondContact O-N 2.65Å; N69-A72 PolarHBondContact O-N 3.34Å; A72-R74 VanDerWaalsContact C-N 3.33Å; A72-R74 PolarHBondContact O-N 3.46Å; A72-Q75 PolarHBondContact O-N 3.06Å; A72-L76 WeakPolarHBondContact O-CG 3.38Å; A72-L76 PolarHBondContact O-N 2.86Å |
| 73 | L | 73.6 | Confident | 62.9 | Low | 33 Ų | 33 | 80.9 Ų | 80.9 | 17% | 0.173 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 172 | -71.2 | 172.2 | 0 | 0 | 0 | 111.1 | L53 L56 I57 Q60 N69 Q75 L76 A77 | L53-L73 HydrophobicContact CD2-CB 4.06Å; L53-L73 HydrophobicContact CD2-CD2 4.13Å; L53-L73 WeakPolarHBondContact CD2-O 3.4Å; L53-L73 HydrophobicContact CG-CD2 4.36Å; L56-L73 HydrophobicContact CD2-CD1 3.83Å; L56-L73 HydrophobicContact CD2-CD2 3.89Å; L56-L73 HydrophobicContact CG-CD1 3.95Å; I57-L73 HydrophobicContact CD1-CB 4.22Å; I57-L73 HydrophobicContact CG1-CB 3.66Å; Q60-L73 HydrophobicContact CG-CD1 4.43Å; N69-L73 WeakPolarHBondContact O-CG 3.43Å; N69-L73 PolarHBondContact O-N 2.89Å; L73-Q75 VanDerWaalsContact C-N 3.35Å; L73-Q75 PolarHBondContact O-N 3.23Å; L73-L76 WeakPolarHBondContact O-CB 3.48Å; L73-L76 PolarHBondContact O-N 2.88Å; L73-L76 VanDerWaalsContact O-N 3.09Å; L73-A77 PolarHBondContact O-N 2.98Å |
| 74 | R | 69.3 | Low | 61.6 | Low | 124 Ų | 124 | 75.9 Ų | 75.9 | 47% | 0.468 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 178.6 | -166.2 | 168.2 | -172 | 127.2 | 6.5 | 113.2 | I57 L70 W71 A72 L76 A77 D78 | I57-R74 HydrophobicContact CD1-CB 4.44Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 PolarHBondContact O-N 3.31Å; L70-R74 VanDerWaalsContact O-N 3.09Å; W71-R74 PolarHBondContact O-N 3.49Å; A72-R74 VanDerWaalsContact C-N 3.33Å; A72-R74 PolarHBondContact O-N 3.46Å; R74-L76 VanDerWaalsContact C-N 3.33Å; R74-L76 PolarHBondContact O-N 3.43Å; R74-A77 PolarHBondContact O-N 3.28Å; R74-D78 PolarHBondContact O-N 3.47Å |
| 75 | Q | 65 | Low | 60.7 | Low | 117 Ų | 117 | 77.3 Ų | 77.3 | 55% | 0.547 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 172.8 | -76.5 | -174.4 | 102.8 | 0 | 0 | 113 | W71 A72 L73 F79 | W71-Q75 HydrophobicContact CE3-CG 3.68Å; W71-Q75 HydrophobicContact CZ3-CG 3.6Å; W71-Q75 PolarHBondContact O-N 3.16Å; A72-Q75 PolarHBondContact O-N 3.06Å; L73-Q75 VanDerWaalsContact C-N 3.35Å; L73-Q75 PolarHBondContact O-N 3.23Å; Q75-F79 WeakPolarHBondContact O-CB 3.46Å; Q75-F79 PolarHBondContact O-N 3.11Å |
| 76 | L | 64.6 | Low | 60.1 | Low | 82 Ų | 82 | 82.6 Ų | 82.6 | 43% | 0.429 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 174.2 | -69.1 | 167.8 | 0 | 0 | 0 | 111.3 | L53 A72 L73 R74 F79 M80 | L53-L76 HydrophobicContact CD1-CB 3.93Å; A72-L76 WeakPolarHBondContact O-CG 3.38Å; A72-L76 PolarHBondContact O-N 2.86Å; L73-L76 WeakPolarHBondContact O-CB 3.48Å; L73-L76 PolarHBondContact O-N 2.88Å; L73-L76 VanDerWaalsContact O-N 3.09Å; R74-L76 VanDerWaalsContact C-N 3.33Å; R74-L76 PolarHBondContact O-N 3.43Å; L76-F79 PolarHBondContact O-N 3.11Å; L76-M80 WeakPolarHBondContact O-CB 3.34Å; L76-M80 WeakPolarHBondContact O-CG 3.37Å; L76-M80 PolarHBondContact O-N 3.37Å |
| 77 | A | 64.7 | Low | 59 | Low | 23 Ų | 23 | 80.4 Ų | 80.4 | 19% | 0.19 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L53 I57 L73 R74 F79 M80 A81 | L53-A77 HydrophobicContact CD2-CB 4.17Å; I57-A77 HydrophobicContact CD1-CB 3.97Å; L73-A77 PolarHBondContact O-N 2.98Å; R74-A77 PolarHBondContact O-N 3.28Å; A77-F79 VanDerWaalsContact C-N 3.33Å; A77-F79 PolarHBondContact O-N 2.9Å; A77-M80 PolarHBondContact O-N 2.89Å; A77-A81 PolarHBondContact O-N 2.68Å |
| 78 | D | 60.3 | Low | 57.7 | Low | 106 Ų | 106 | 82.5 Ų | 82.5 | 57% | 0.567 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.5 | -35.3 | 179 | -75.3 | -39.9 | 0 | 0 | 0 | 112.1 | R74 | R74-D78 PolarHBondContact O-N 3.47Å |
| 79 | F | 61.6 | Low | 56.3 | Low | 114 Ų | 114 | 85.4 Ų | 85.4 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.2 | -37.3 | 172.9 | 179.3 | -96.3 | 0 | 0 | 0 | 112.7 | Q75 L76 A77 A81 S82 H83 | Q75-F79 WeakPolarHBondContact O-CB 3.46Å; Q75-F79 PolarHBondContact O-N 3.11Å; L76-F79 PolarHBondContact O-N 3.11Å; A77-F79 VanDerWaalsContact C-N 3.33Å; A77-F79 PolarHBondContact O-N 2.9Å; F79-A81 VanDerWaalsContact C-N 3.34Å; F79-S82 PolarHBondContact O-OG 3.42Å; F79-H83 AromaticContact CE1-CD2 3.99Å; F79-H83 AromaticContact CE2-NE2 3.92Å; F79-H83 AromaticContact CZ-NE2 3.56Å; F79-H83 PolarHBondContact O-CD2 3.03Å |
| 80 | M | 58.6 | Low | 54.7 | Low | 3 Ų | 3 | 86.8 Ų | 86.8 | 2% | 0.015 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -73.1 | -28.1 | 177.4 | -71.2 | 164.9 | 69.7 | 0 | 0 | 112.3 | L44 F49 R50 L53 L76 A77 S82 H83 | L44-M80 HydrophobicContact CD2-CG 4.34Å; L44-M80 HydrophobicContact CD2-SD 4.09Å; L44-M80 VanDerWaalsContact O-CE 3.28Å; L44-M80 WeakPolarHBondContact O-CE 3.5Å; F49-M80 HydrophobicContact CD1-CE 3.38Å; F49-M80 HydrophobicContact CD1-SD 4.18Å; F49-M80 HydrophobicContact CE1-CE 3.81Å; F49-M80 HydrophobicContact CE1-SD 3.97Å; F49-M80 HydrophobicContact CG-CE 4.39Å; R50-M80 HydrophobicContact CB-CE 4.5Å; R50-M80 HydrophobicContact CG-CE 3.38Å; R50-M80 VanDerWaalsContact CZ-O 3.3Å; R50-M80 PolarHBondContact NH2-O 2.62Å; L53-M80 HydrophobicContact CD1-SD 3.81Å; L76-M80 WeakPolarHBondContact O-CB 3.34Å; L76-M80 WeakPolarHBondContact O-CG 3.37Å; L76-M80 PolarHBondContact O-N 3.37Å; A77-M80 PolarHBondContact O-N 2.89Å; M80-S82 VanDerWaalsContact C-N 3.33Å; M80-S82 PolarHBondContact O-N 3.3Å; M80-H83 PolarHBondContact O-N 3.32Å |
| 81 | A | 60.9 | Low | 52.7 | Low | 68 Ų | 68 | 91.4 Ų | 91.4 | 56% | 0.562 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64 | -32.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A77 F79 | A77-A81 PolarHBondContact O-N 2.68Å; F79-A81 VanDerWaalsContact C-N 3.34Å |
| 82 | S | 54.8 | Low | 51.1 | Low | 84 Ų | 84 | 87.8 Ų | 87.8 | 59% | 0.587 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.9 | -29.7 | 178.6 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | F79 M80 G84 | F79-S82 PolarHBondContact O-OG 3.42Å; M80-S82 VanDerWaalsContact C-N 3.33Å; M80-S82 PolarHBondContact O-N 3.3Å; S82-G84 VanDerWaalsContact C-N 3.29Å; S82-G84 PolarHBondContact O-N 2.78Å |
| 83 | H | 47.4 | Very low | 49.5 | Very low | 106 Ų | 106 | 92 Ų | 92 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | 16.9 | 179.3 | -65.2 | -65.1 | 0 | 0 | 0 | 113.7 | F79 M80 | F79-H83 AromaticContact CE1-CD2 3.99Å; F79-H83 AromaticContact CE2-NE2 3.92Å; F79-H83 AromaticContact CZ-NE2 3.56Å; F79-H83 PolarHBondContact O-CD2 3.03Å; M80-H83 PolarHBondContact O-N 3.32Å |
| 84 | G | 45.1 | Very low | 47.8 | Very low | 31 Ų | 31 | 95 Ų | 95 | 32% | 0.32 | 58% | 0.584 | S | S | . | * | trans | -112.9 | 6.3 | -161.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | S82 P86 | S82-G84 VanDerWaalsContact C-N 3.29Å; S82-G84 PolarHBondContact O-N 2.78Å; G84-P86 WeakPolarHBondContact O-CD 3.41Å | ||
| 85 | S | 39.8 | Very low | 46.3 | Very low | 96 Ų | 96 | 95.2 Ų | 95.2 | 67% | 0.671 | 59% | 0.594 | S | S | * | * | trans | -108.2 | 105.3 | -171.9 | -169.6 | 0 | 0 | 0 | 0 | 113.4 | A87 | S85-A87 PolarHBondContact O-N 3.31Š| ||
| 86 | P | 39.6 | Very low | 45.2 | Very low | 134 Ų | 134 | 98.6 Ų | 98.6 | 87% | 0.87 | 61% | 0.612 | S | S | * | * | trans | -87.7 | 36.4 | 179.3 | 37.9 | -37.6 | 0 | 0 | 0 | 112.7 | G84 | G84-P86 WeakPolarHBondContact O-CD 3.41Š| ||
| 87 | A | 40.2 | Very low | 44.3 | Very low | 83 Ų | 83 | 101.9 Ų | 101.9 | 69% | 0.686 | 63% | 0.627 | S | S | * | * | trans | -146.8 | 63.9 | -174 | 0 | 0 | 0 | 0 | 0 | 112.2 | S85 | S85-A87 PolarHBondContact O-N 3.31Š| ||
| 88 | A | 34.2 | Very low | 44.1 | Very low | 94 Ų | 94 | 109.6 Ų | 109.6 | 78% | 0.777 | 66% | 0.662 | S | S | * | * | trans | -123.5 | 146.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 89 | L | 31.1 | Very low | 44.9 | Very low | 154 Ų | 154 | 107 Ų | 107 | 81% | 0.806 | 65% | 0.649 | S | S | * | * | trans | -63.1 | 156.1 | 172.6 | -66.3 | 174.3 | 0 | 0 | 0 | 110.3 | V91 | L89-V91 PolarHBondContact O-N 3.47Š| ||
| 90 | P | 31.1 | Very low | 46.1 | Very low | 134 Ų | 134 | 105 Ų | 105 | 87% | 0.87 | 65% | 0.647 | S | S | * | * | trans | -74 | 69.7 | -172.4 | 31.5 | -37.6 | 0 | 0 | 0 | 113.1 | ||||
| 91 | V | 31 | Very low | 47.7 | Very low | 129 Ų | 129 | 107.5 Ų | 107.5 | 78% | 0.782 | 66% | 0.663 | S | S | * | * | trans | -77.2 | 130.9 | 158.2 | -174.3 | 0 | 0 | 0 | 0 | 106.9 | L89 | L89-V91 PolarHBondContact O-N 3.47Š| ||
| 92 | S | 29.3 | Very low | 49.2 | Very low | 82 Ų | 82 | 104.2 Ų | 104.2 | 57% | 0.573 | 64% | 0.636 | S | S | * | * | trans | -53.3 | 136.1 | -176.7 | -170.9 | 0 | 0 | 0 | 0 | 111.5 | S94 | S92-S94 PolarHBondContact O-N 3.31Å; S92-S94 PolarHBondContact OG-OG 3.02Å | ||
| 93 | P | 38.1 | Very low | 51 | Low | 134 Ų | 134 | 101.4 Ų | 101.4 | 87% | 0.87 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 24.9 | -170.5 | 31.8 | -38.4 | 0 | 0 | 0 | 114.7 | ||
| 94 | S | 38.2 | Very low | 52.9 | Low | 97 Ų | 97 | 98.3 Ų | 98.3 | 68% | 0.678 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -4.8 | -170.4 | -51.7 | 0 | 0 | 0 | 0 | 114.8 | S92 | S92-S94 PolarHBondContact O-N 3.31Å; S92-S94 PolarHBondContact OG-OG 3.02Å |
| 95 | N | 36.9 | Very low | 54.8 | Low | 129 Ų | 129 | 97.2 Ų | 97.2 | 69% | 0.69 | 59% | 0.588 | S | S | * | * | trans | -154.5 | 46.4 | -173.7 | -127.5 | -5.4 | 0 | 0 | 0 | 116.6 | M97 | N95-M97 VanDerWaalsContact C-N 3.32Å; N95-M97 PolarHBondContact O-N 2.89Å; N95-M97 VanDerWaalsContact O-N 3.14Å | ||
| 96 | M | 42.7 | Very low | 56.1 | Low | 187 Ų | 187 | 98.3 Ų | 98.3 | 92% | 0.921 | 58% | 0.583 | S | S | * | * | trans | -76.5 | 90.3 | 154.2 | -72.8 | -151.7 | 79.4 | 0 | 0 | 108.5 | M98 | M96-M98 PolarHBondContact O-N 3.49Š| ||
| 97 | M | 45.3 | Very low | 57.1 | Low | 151 Ų | 151 | 95.9 Ų | 95.9 | 74% | 0.744 | 58% | 0.582 | S | S | * | * | trans | -56 | 123.1 | 174 | -76 | -178.7 | 160.5 | 0 | 0 | 110.2 | N95 V99 | N95-M97 VanDerWaalsContact C-N 3.32Å; N95-M97 PolarHBondContact O-N 2.89Å; N95-M97 VanDerWaalsContact O-N 3.14Å; M97-V99 PolarHBondContact O-N 3.4Å | ||
| 98 | M | 59 | Low | 58 | Low | 185 Ų | 185 | 95.5 Ų | 95.5 | 91% | 0.911 | 56% | 0.563 | S | S | * | * | trans | -75.1 | 93.9 | 171.5 | -64.4 | -149.9 | -53.7 | 0 | 0 | 109 | M96 T100 | M96-M98 PolarHBondContact O-N 3.49Å; M98-T100 PolarHBondContact O-N 3.31Å | ||
| 99 | V | 79.1 | Confident | 58.9 | Low | 51 Ų | 51 | 97.7 Ų | 97.7 | 31% | 0.309 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -61 | 118.5 | 178.1 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | M97 Y364 | M97-V99 PolarHBondContact O-N 3.4Å; V99-Y364 HydrophobicContact CG1-CD1 3.24Å; V99-Y364 HydrophobicContact CG1-CD2 4.16Å; V99-Y364 HydrophobicContact CG1-CE1 3.39Å; V99-Y364 HydrophobicContact CG1-CE2 4.29Å; V99-Y364 HydrophobicContact CG1-CG 3.65Å |
| 100 | T | 86.4 | Confident | 59.8 | Low | 73 Ų | 73 | 96 Ų | 96 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 127.4 | 177.9 | -46.2 | 0 | 0 | 0 | 0 | 110.6 | M98 T168 | M98-T100 PolarHBondContact O-N 3.31Å; T100-T168 HydrophobicContact CG2-CG2 3.76Å |
| 101 | P | 91.2 | Very high | 61 | Low | 55 Ų | 55 | 93.5 Ų | 93.5 | 36% | 0.357 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -68 | 135.7 | 179.3 | 28.2 | -34.7 | 0 | 0 | 0 | 111.3 | Y364 R365 | P101-Y364 CarbonylContact C-O 3.6Å; P101-Y364 WeakPolarHBondContact CA-O 3.37Å; P101-R365 HydrophobicContact CB-CB 4Å; P101-R365 HydrophobicContact CB-CG 4.44Å |
| 102 | I | 93.3 | Very high | 62.7 | Low | 0 Ų | 0 | 90.4 Ų | 90.4 | 0% | 0 | 54% | 0.538 | C | S | . | . | S | Bend | trans | -68.7 | -43.8 | 175.9 | -65.8 | 162 | 0 | 0 | 0 | 110.3 | D104 A125 R129 G169 L359 Y364 T366 | I102-D104 VanDerWaalsContact C-N 3.29Å; I102-D104 PolarHBondContact O-N 3.02Å; I102-A125 HydrophobicContact CG2-CB 3.7Å; I102-R129 HydrophobicContact CD1-CG 4.02Å; I102-R129 HydrophobicContact CG1-CG 4.14Å; I102-G169 PolarHBondContact O-N 2.98Å; I102-L359 HydrophobicContact CD1-CD1 4.28Å; I102-Y364 HydrophobicContact CD1-CD1 4.4Å; I102-Y364 HydrophobicContact CD1-CG 4.32Å; I102-Y364 PolarHBondContact N-O 3.39Å; I102-T366 HydrophobicContact CD1-CG2 4.08Å |
| 103 | N | 91.4 | Very high | 65 | Low | 25 Ų | 25 | 87.9 Ų | 87.9 | 13% | 0.134 | 52% | 0.518 | C | S | . | . | trans | -80 | 80.5 | 171.2 | 172.7 | 83.8 | 0 | 0 | 0 | 109.3 | H106 R118 R365 | N103-H106 PolarHBondContact ND2-NE2 2.9Å; N103-H106 PolarHBondContact O-CE1 3.41Å; N103-R118 PolarHBondContact OD1-NH1 3.41Å; N103-R118 PolarHBondContact OD1-NH2 2.89Å; N103-R365 VanDerWaalsContact CB-O 3.28Å; N103-R365 WeakPolarHBondContact CB-O 3.22Å; N103-R365 PolarHBondContact N-O 3.47Å | ||
| 104 | D | 88.7 | Confident | 67.1 | Low | 40 Ų | 40 | 84.1 Ų | 84.1 | 21% | 0.214 | 49% | 0.492 | C | S | . | . | trans | -104.2 | -6.6 | 177.1 | 67 | -26.1 | 0 | 0 | 0 | 113.4 | I102 H106 T168 G169 S170 | I102-D104 VanDerWaalsContact C-N 3.29Å; I102-D104 PolarHBondContact O-N 3.02Å; D104-H106 PolarHBondContact O-N 3.04Å; D104-H106 PolarHBondContact O-ND1 2.93Å; D104-T168 VanDerWaalsContact CG-OG1 3.25Å; D104-T168 WeakPolarHBondContact OD1-CB 3.49Å; D104-T168 PolarHBondContact OD1-OG1 3.43Å; D104-T168 WeakPolarHBondContact OD2-CB 3.17Å; D104-T168 PolarHBondContact OD2-OG1 2.82Å; D104-G169 PolarHBondContact OD1-N 3.27Å; D104-S170 WeakPolarHBondContact OD1-CB 3.41Å; D104-S170 PolarHBondContact OD1-N 3.03Å; D104-S170 VanDerWaalsContact OD2-CB 3.27Å; D104-S170 WeakPolarHBondContact OD2-CB 3.35Å; D104-S170 PolarHBondContact OD2-OG 2.84Å | ||
| 105 | L | 83.6 | Confident | 69.2 | Low | 8 Ų | 8 | 89.4 Ų | 89.4 | 4% | 0.042 | 50% | 0.503 | C | S | . | . | trans | -63.9 | 65.8 | 177.8 | -68 | 165.3 | 0 | 0 | 0 | 113 | W108 R118 R121 | L105-W108 HydrophobicContact CD2-CD2 4.4Å; L105-W108 HydrophobicContact CD2-CE3 4.06Å; L105-R118 HydrophobicContact CB-CG 4.31Å; L105-R118 HydrophobicContact CD1-CB 4.45Å; L105-R118 HydrophobicContact CD1-CG 3.81Å; L105-R118 PolarHBondContact O-NE 3.21Å; L105-R118 PolarHBondContact O-NH2 3.38Å; L105-R118 VanDerWaalsContact O-NH2 3.09Å; L105-R121 HydrophobicContact CD1-CB 3.96Å | ||
| 106 | H | 66.7 | Low | 71.6 | Confident | 119 Ų | 119 | 85 Ų | 85 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | trans | -111.8 | 142.9 | 174.5 | -55.6 | 102.7 | 0 | 0 | 0 | 109.3 | N103 D104 W108 | N103-H106 PolarHBondContact ND2-NE2 2.9Å; N103-H106 PolarHBondContact O-CE1 3.41Å; D104-H106 PolarHBondContact O-N 3.04Å; D104-H106 PolarHBondContact O-ND1 2.93Å; H106-W108 PolarHBondContact O-N 2.85Å | ||
| 107 | G | 60.7 | Low | 73.9 | Confident | 84 Ų | 84 | 76.1 Ų | 76.1 | 87% | 0.866 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 72.7 | -3.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114.8 | E109 | G107-E109 PolarHBondContact O-N 3.21Š|
| 108 | W | 60.4 | Low | 76 | Confident | 75 Ų | 75 | 73.7 Ų | 73.7 | 28% | 0.284 | 43% | 0.427 | S | S | . | . | trans | -75.3 | 118.5 | 172.2 | -159.8 | -63.9 | 0 | 0 | 0 | 109.9 | L105 H106 S112 L113 E183 | L105-W108 HydrophobicContact CD2-CD2 4.4Å; L105-W108 HydrophobicContact CD2-CE3 4.06Å; H106-W108 PolarHBondContact O-N 2.85Å; W108-S112 PolarHBondContact NE1-OG 3.04Å; W108-L113 HydrophobicContact CG-CD1 4.07Å; W108-L113 HydrophobicContact CG-CG 4.37Å; W108-L113 HydrophobicContact CZ2-CD2 4.48Å; W108-E183 HydrophobicContact CH2-CG 4.35Å; W108-E183 VanDerWaalsContact CH2-OE1 3.3Å; W108-E183 WeakPolarHBondContact CH2-OE1 3.46Å; W108-E183 HydrophobicContact CZ2-CG 4.16Å; W108-E183 VanDerWaalsContact CZ2-OE1 3.29Å; W108-E183 WeakPolarHBondContact CZ2-OE1 3.42Å | ||
| 109 | E | 53.1 | Low | 77.6 | Confident | 140 Ų | 140 | 67.8 Ų | 67.8 | 65% | 0.654 | 40% | 0.399 | S | S | * | . | trans | -56.8 | 123.6 | -169.5 | -86.8 | -58.4 | 140.6 | 0 | 0 | 113.1 | G107 G111 S112 | G107-E109 PolarHBondContact O-N 3.21Å; E109-G111 PolarHBondContact O-N 2.88Å; E109-S112 PolarHBondContact O-N 3.46Å; E109-S112 PolarHBondContact O-OG 2.78Å | ||
| 110 | P | 50.4 | Low | 78.3 | Confident | 119 Ų | 119 | 67.1 Ų | 67.1 | 77% | 0.773 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -19.6 | -171 | -28.6 | 36.1 | 0 | 0 | 0 | 116.3 | ||
| 111 | G | 56.4 | Low | 78.7 | Confident | 81 Ų | 81 | 63.6 Ų | 63.6 | 84% | 0.835 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -8.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E109 | E109-G111 PolarHBondContact O-N 2.88Š|
| 112 | S | 65.9 | Low | 78.9 | Confident | 63 Ų | 63 | 61.1 Ų | 61.1 | 44% | 0.441 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -20 | -170.9 | 64.8 | 0 | 0 | 0 | 0 | 115.1 | W108 E109 | W108-S112 PolarHBondContact NE1-OG 3.04Å; E109-S112 PolarHBondContact O-N 3.46Å; E109-S112 PolarHBondContact O-OG 2.78Å |
| 113 | L | 77.5 | Confident | 79 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 16% | 0.157 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -96.3 | 141.2 | 177.1 | -68.1 | 172.2 | 0 | 0 | 0 | 111 | W108 E117 R118 | W108-L113 HydrophobicContact CG-CD1 4.07Å; W108-L113 HydrophobicContact CG-CG 4.37Å; W108-L113 HydrophobicContact CZ2-CD2 4.48Å; L113-E117 HydrophobicContact CB-CB 4.36Å; L113-E117 HydrophobicContact CD2-CG 4.27Å; L113-E117 WeakPolarHBondContact CD2-OE1 3.48Å; L113-R118 HydrophobicContact CD1-CB 4.28Å |
| 114 | V | 81.6 | Confident | 79.2 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 33% | 0.327 | 36% | 0.356 | S | S | . | . | trans | -63.7 | 147.1 | 176.2 | 180 | 0 | 0 | 0 | 0 | 109.9 | G116 E117 V148 | V114-G116 PolarHBondContact O-N 3.39Å; V114-E117 HydrophobicContact CB-CB 4.21Å; V114-E117 PolarHBondContact N-OE2 3.06Å; V114-E117 VanDerWaalsContact N-OE2 3.1Å; V114-E117 WeakPolarHBondContact O-CB 3.46Å; V114-E117 PolarHBondContact O-N 2.74Å; V114-V148 HydrophobicContact CB-CG1 4.17Å | ||
| 115 | K | 83.3 | Confident | 79.6 | Confident | 209 Ų | 209 | 59.7 Ų | 59.7 | 91% | 0.909 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 107.7 | -177.3 | -175.6 | 179.2 | -179.9 | 177.5 | 0 | 111.8 | ||
| 116 | G | 86.4 | Confident | 80.2 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -7.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V114 R118 L119 M120 | V114-G116 PolarHBondContact O-N 3.39Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.94Å; G116-L119 PolarHBondContact O-N 3.18Å; G116-L119 VanDerWaalsContact O-N 3.07Å; G116-M120 WeakPolarHBondContact O-CG 3.41Å; G116-M120 PolarHBondContact O-N 2.92Å; G116-M120 VanDerWaalsContact O-N 3.09Å |
| 117 | E | 91.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.8 | -41.2 | 179.3 | -176 | -179.3 | 156.1 | 0 | 0 | 112.1 | L113 V114 L119 M120 R121 V148 K174 | L113-E117 HydrophobicContact CB-CB 4.36Å; L113-E117 HydrophobicContact CD2-CG 4.27Å; L113-E117 WeakPolarHBondContact CD2-OE1 3.48Å; V114-E117 HydrophobicContact CB-CB 4.21Å; V114-E117 PolarHBondContact N-OE2 3.06Å; V114-E117 VanDerWaalsContact N-OE2 3.1Å; V114-E117 WeakPolarHBondContact O-CB 3.46Å; V114-E117 PolarHBondContact O-N 2.74Å; E117-L119 VanDerWaalsContact C-N 3.27Å; E117-L119 PolarHBondContact O-N 3.2Å; E117-M120 WeakPolarHBondContact O-CA 3.18Å; E117-M120 WeakPolarHBondContact O-CB 3.45Å; E117-M120 PolarHBondContact O-N 2.94Å; E117-R121 HydrophobicContact CG-CG 4.4Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 2.81Å; E117-R121 IonicContact OE1-CZ 2.75Å; E117-R121 IonicContact OE1-NE 3.22Å; E117-R121 PolarHBondContact OE1-NE 3.18Å; E117-R121 IonicContact OE1-NH2 3.27Å; E117-R121 PolarHBondContact OE1-NH2 2.79Å; E117-V148 HydrophobicContact CB-CG1 3.85Å; E117-V148 HydrophobicContact CG-CG1 3.66Å; E117-V148 HydrophobicContact CG-CG2 4.32Å; E117-K174 VanDerWaalsContact CD-NZ 3.29Å; E117-K174 WeakPolarHBondContact OE1-CD 3.48Å; E117-K174 IonicContact OE1-NZ 3.79Å; E117-K174 PolarHBondContact OE1-NZ 3.16Å; E117-K174 IonicContact OE2-NZ 2.67Å; E117-K174 PolarHBondContact OE2-NZ 2.83Å |
| 118 | R | 90.8 | Very high | 83.2 | Confident | 99 Ų | 99 | 49.7 Ų | 49.7 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -52.2 | -43.8 | 174.1 | -172.3 | 177.8 | -167.4 | -85.1 | 2.8 | 112.4 | N103 L105 L113 G116 C122 | N103-R118 PolarHBondContact OD1-NH1 3.41Å; N103-R118 PolarHBondContact OD1-NH2 2.89Å; L105-R118 HydrophobicContact CB-CG 4.31Å; L105-R118 HydrophobicContact CD1-CB 4.45Å; L105-R118 HydrophobicContact CD1-CG 3.81Å; L105-R118 PolarHBondContact O-NE 3.21Å; L105-R118 PolarHBondContact O-NH2 3.38Å; L105-R118 VanDerWaalsContact O-NH2 3.09Å; L113-R118 HydrophobicContact CD1-CB 4.28Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.94Å; R118-C122 PolarHBondContact O-N 2.86Å; R118-C122 VanDerWaalsContact O-N 3.1Å; R118-C122 PolarHBondContact O-SG 2.67Å; R118-C122 VanDerWaalsContact O-SG 3.36Å |
| 119 | L | 91.7 | Very high | 84.8 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 32% | 0.319 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73.3 | -33.4 | 177.9 | 179.6 | 61.7 | 0 | 0 | 0 | 111.8 | G116 E117 C122 K123 | G116-L119 PolarHBondContact O-N 3.18Å; G116-L119 VanDerWaalsContact O-N 3.07Å; E117-L119 VanDerWaalsContact C-N 3.27Å; E117-L119 PolarHBondContact O-N 3.2Å; L119-C122 PolarHBondContact O-N 3.42Å; L119-K123 HydrophobicContact CD1-CG 4.39Å; L119-K123 HydrophobicContact CG-CD 4.45Å; L119-K123 VanDerWaalsContact O-CG 3.3Å; L119-K123 WeakPolarHBondContact O-CG 3.45Å; L119-K123 PolarHBondContact O-N 2.88Å |
| 120 | M | 93.7 | Very high | 86.8 | Confident | 37 Ų | 37 | 40 Ų | 40 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.4 | -43.6 | 175.3 | -65.9 | 172 | -158.6 | 0 | 0 | 111.5 | G116 E117 K123 L124 L146 V148 L156 R210 | G116-M120 WeakPolarHBondContact O-CG 3.41Å; G116-M120 PolarHBondContact O-N 2.92Å; G116-M120 VanDerWaalsContact O-N 3.09Å; E117-M120 WeakPolarHBondContact O-CA 3.18Å; E117-M120 WeakPolarHBondContact O-CB 3.45Å; E117-M120 PolarHBondContact O-N 2.94Å; M120-K123 PolarHBondContact O-N 2.87Å; M120-L124 PolarHBondContact O-N 2.85Å; M120-L146 HydrophobicContact CB-CD2 3.69Å; M120-L146 HydrophobicContact CG-CD2 4.28Å; M120-L146 WeakPolarHBondContact O-CD2 3.34Å; M120-V148 HydrophobicContact SD-CG1 4.39Å; M120-L156 HydrophobicContact CB-CD1 4.19Å; M120-R210 VanDerWaalsContact CE-NH2 3.29Å; M120-R210 PolarHBondContact SD-NH2 3.46Å |
| 121 | R | 94.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.6 | -51.8 | 171.3 | -73.3 | 171.1 | 175.4 | -92.1 | 0.6 | 111.5 | L105 E117 K123 L124 A125 L156 G169 L172 E183 | L105-R121 HydrophobicContact CD1-CB 3.96Å; E117-R121 HydrophobicContact CG-CG 4.4Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 2.81Å; E117-R121 IonicContact OE1-CZ 2.75Å; E117-R121 IonicContact OE1-NE 3.22Å; E117-R121 PolarHBondContact OE1-NE 3.18Å; E117-R121 IonicContact OE1-NH2 3.27Å; E117-R121 PolarHBondContact OE1-NH2 2.79Å; R121-K123 VanDerWaalsContact C-N 3.34Å; R121-K123 PolarHBondContact O-N 3.44Å; R121-L124 PolarHBondContact O-N 2.89Å; R121-A125 WeakPolarHBondContact O-CB 3.43Å; R121-A125 PolarHBondContact O-N 2.75Å; R121-L156 HydrophobicContact CB-CD1 4.39Å; R121-L156 HydrophobicContact CG-CD1 3.57Å; R121-L156 HydrophobicContact CG-CD2 3.83Å; R121-L156 HydrophobicContact CG-CG 4.36Å; R121-G169 WeakPolarHBondContact CB-O 3.47Å; R121-G169 WeakPolarHBondContact CD-O 3.32Å; R121-G169 PolarHBondContact NH1-O 2.87Å; R121-L172 HydrophobicContact CB-CD1 4.25Å; R121-L172 HydrophobicContact CG-CD1 4.48Å; R121-L172 PolarHBondContact NH1-O 3.17Å; R121-L172 WeakPolarHBondContact O-CD1 3.21Å; R121-E183 IonicContact CZ-OE1 3.95Å; R121-E183 IonicContact NH1-OE1 3.44Å; R121-E183 VanDerWaalsContact NH2-CD 3.31Å; R121-E183 IonicContact NH2-OE1 2.6Å; R121-E183 PolarHBondContact NH2-OE1 3.36Å; R121-E183 IonicContact NH2-OE2 3.83Å; R121-E183 PolarHBondContact NH2-OE2 2.84Å |
| 122 | C | 94.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.3 | -45.3 | 174.1 | -76 | 0 | 0 | 0 | 0 | 113 | R118 L119 S126 T366 | R118-C122 PolarHBondContact O-N 2.86Å; R118-C122 VanDerWaalsContact O-N 3.1Å; R118-C122 PolarHBondContact O-SG 2.67Å; R118-C122 VanDerWaalsContact O-SG 3.36Å; L119-C122 PolarHBondContact O-N 3.42Å; C122-S126 VanDerWaalsContact O-CB 3.26Å; C122-S126 WeakPolarHBondContact O-CB 3.46Å; C122-S126 PolarHBondContact O-N 2.8Å; C122-S126 PolarHBondContact O-OG 3.24Å; C122-T366 VanDerWaalsContact CB-O 3.28Å; C122-T366 WeakPolarHBondContact CB-O 3.37Å; C122-T366 PolarHBondContact SG-O 2.74Å |
| 123 | K | 95.8 | Very high | 91.8 | Very high | 35 Ų | 35 | 34 Ų | 34 | 15% | 0.152 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.8 | -42 | -179.6 | -73.1 | -177.1 | -172.9 | -155.1 | 0 | 113.1 | L119 M120 R121 T127 M286 E287 F352 Y368 | L119-K123 HydrophobicContact CD1-CG 4.39Å; L119-K123 HydrophobicContact CG-CD 4.45Å; L119-K123 VanDerWaalsContact O-CG 3.3Å; L119-K123 WeakPolarHBondContact O-CG 3.45Å; L119-K123 PolarHBondContact O-N 2.88Å; M120-K123 PolarHBondContact O-N 2.87Å; R121-K123 VanDerWaalsContact C-N 3.34Å; R121-K123 PolarHBondContact O-N 3.44Å; K123-T127 PolarHBondContact O-N 2.8Å; K123-T127 VanDerWaalsContact O-N 3.1Å; K123-T127 PolarHBondContact O-OG1 3.01Å; K123-M286 HydrophobicContact CB-CB 4.49Å; K123-M286 HydrophobicContact CB-CG 4.22Å; K123-E287 WeakPolarHBondContact CD-OE1 3.26Å; K123-E287 WeakPolarHBondContact CE-OE1 3.33Å; K123-E287 IonicContact NZ-OE1 2.74Å; K123-E287 PolarHBondContact NZ-OE1 2.89Å; K123-F352 HydrophobicContact CB-CZ 4.45Å; K123-F352 HydrophobicContact CG-CE1 4.21Å; K123-Y368 HydrophobicContact CD-CE2 4.12Å; K123-Y368 HydrophobicContact CG-CD2 4.11Å; K123-Y368 HydrophobicContact CG-CE2 4.15Å |
| 124 | L | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -50.4 | 177.1 | -178.7 | 58.6 | 0 | 0 | 0 | 110.9 | M120 R121 S126 T127 H128 L144 L146 L156 L172 M286 | M120-L124 PolarHBondContact O-N 2.85Å; R121-L124 PolarHBondContact O-N 2.89Å; L124-S126 VanDerWaalsContact C-N 3.32Å; L124-S126 PolarHBondContact O-N 2.86Å; L124-T127 WeakPolarHBondContact O-CA 3.46Å; L124-T127 WeakPolarHBondContact O-CB 3.08Å; L124-T127 PolarHBondContact O-N 3.29Å; L124-H128 PolarHBondContact O-CD2 2.83Å; L124-H128 VanDerWaalsContact O-CD2 3.25Å; L124-H128 PolarHBondContact O-N 3.29Å; L124-L144 HydrophobicContact CD1-CB 3.75Å; L124-L146 HydrophobicContact CB-CD2 4.24Å; L124-L146 HydrophobicContact CD2-CB 4.07Å; L124-L156 HydrophobicContact CD2-CB 3.59Å; L124-L172 HydrophobicContact CB-CD1 3.96Å; L124-L172 HydrophobicContact CD2-CD1 4.02Å; L124-L172 HydrophobicContact CD2-CD2 3.93Å; L124-L172 HydrophobicContact CG-CD1 4.09Å; L124-L172 HydrophobicContact CG-CD2 4.22Å; L124-M286 HydrophobicContact CD1-CE 3.62Å; L124-M286 HydrophobicContact CD1-SD 4.34Å |
| 125 | A | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.4 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I102 R121 T127 H128 R129 V167 T168 L172 | I102-A125 HydrophobicContact CG2-CB 3.7Å; R121-A125 WeakPolarHBondContact O-CB 3.43Å; R121-A125 PolarHBondContact O-N 2.75Å; A125-T127 PolarHBondContact O-N 3.27Å; A125-H128 PolarHBondContact O-N 2.89Å; A125-R129 WeakPolarHBondContact O-CG 3.01Å; A125-R129 PolarHBondContact O-N 3.22Å; A125-R129 VanDerWaalsContact O-N 3.12Å; A125-V167 HydrophobicContact CB-CG1 3.91Å; A125-T168 WeakPolarHBondContact CB-O 3.39Å; A125-L172 HydrophobicContact CB-CD1 4.11Å |
| 126 | S | 96.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.7 | -33.1 | 172.5 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | C122 L124 R129 L130 | C122-S126 VanDerWaalsContact O-CB 3.26Å; C122-S126 WeakPolarHBondContact O-CB 3.46Å; C122-S126 PolarHBondContact O-N 2.8Å; C122-S126 PolarHBondContact O-OG 3.24Å; L124-S126 VanDerWaalsContact C-N 3.32Å; L124-S126 PolarHBondContact O-N 2.86Å; S126-R129 PolarHBondContact O-N 2.93Å; S126-L130 WeakPolarHBondContact O-CG 3.5Å; S126-L130 PolarHBondContact O-N 3.14Å |
| 127 | T | 96 | Very high | 93 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -75.5 | -35.8 | 177.5 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | K123 L124 A125 R129 L130 F131 L144 L213 M286 F290 | K123-T127 PolarHBondContact O-N 2.8Å; K123-T127 VanDerWaalsContact O-N 3.1Å; K123-T127 PolarHBondContact O-OG1 3.01Å; L124-T127 WeakPolarHBondContact O-CA 3.46Å; L124-T127 WeakPolarHBondContact O-CB 3.08Å; L124-T127 PolarHBondContact O-N 3.29Å; A125-T127 PolarHBondContact O-N 3.27Å; T127-R129 VanDerWaalsContact C-N 3.32Å; T127-R129 PolarHBondContact O-N 3.05Å; T127-L130 PolarHBondContact O-N 3.18Å; T127-L130 VanDerWaalsContact O-N 3.16Å; T127-F131 HydrophobicContact CG2-CD2 3.83Å; T127-F131 HydrophobicContact CG2-CE2 3.71Å; T127-F131 WeakPolarHBondContact O-CD2 3.39Å; T127-F131 PolarHBondContact O-N 3.07Å; T127-L144 HydrophobicContact CG2-CD1 3.93Å; T127-L213 HydrophobicContact CG2-CD2 4.34Å; T127-M286 VanDerWaalsContact CB-CE 3.48Å; T127-M286 HydrophobicContact CG2-CE 3.75Å; T127-M286 VanDerWaalsContact OG1-CE 3.23Å; T127-M286 WeakPolarHBondContact OG1-CE 3.28Å; T127-F290 HydrophobicContact CG2-CD2 3.54Å; T127-F290 HydrophobicContact CG2-CE2 3.85Å |
| 128 | H | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.5 | -46.2 | 169 | -73.4 | -79.9 | 0 | 0 | 0 | 111.1 | L124 A125 L130 F131 D132 Y164 V167 | L124-H128 PolarHBondContact O-CD2 2.83Å; L124-H128 VanDerWaalsContact O-CD2 3.25Å; L124-H128 PolarHBondContact O-N 3.29Å; A125-H128 PolarHBondContact O-N 2.89Å; H128-L130 VanDerWaalsContact C-N 3.31Å; H128-L130 PolarHBondContact O-N 2.83Å; H128-F131 PolarHBondContact O-N 3.02Å; H128-D132 PolarHBondContact O-N 2.6Å; H128-Y164 HydrophobicContact CB-CD2 3.96Å; H128-Y164 HydrophobicContact CB-CG 4.14Å; H128-Y164 AromaticContact CE1-CE1 3.92Å; H128-Y164 AromaticContact CE1-CZ 3.69Å; H128-Y164 AromaticContact ND1-CD1 3.64Å; H128-Y164 AromaticContact ND1-CD2 3.46Å; H128-Y164 WeakPolarHBondContact ND1-CD2 3.35Å; H128-Y164 AromaticContact ND1-CE1 3.42Å; H128-Y164 WeakPolarHBondContact ND1-CE1 3.46Å; H128-Y164 AromaticContact ND1-CE2 3.25Å; H128-Y164 WeakPolarHBondContact ND1-CE2 3.21Å; H128-Y164 AromaticContact ND1-CG 3.67Å; H128-Y164 AromaticContact ND1-CZ 3.23Å; H128-Y164 WeakPolarHBondContact O-CD2 3.49Å; H128-V167 HydrophobicContact CB-CB 3.99Å; H128-V167 HydrophobicContact CB-CG1 4.32Å; H128-V167 HydrophobicContact CB-CG2 3.64Å |
| 129 | R | 93.7 | Very high | 90.1 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -34.1 | 175 | -59.4 | -66.2 | -177.4 | 124.5 | 13.4 | 112.9 | I102 A125 S126 T127 L133 Y164 S165 E166 V167 L359 Y364 | I102-R129 HydrophobicContact CD1-CG 4.02Å; I102-R129 HydrophobicContact CG1-CG 4.14Å; A125-R129 WeakPolarHBondContact O-CG 3.01Å; A125-R129 PolarHBondContact O-N 3.22Å; A125-R129 VanDerWaalsContact O-N 3.12Å; S126-R129 PolarHBondContact O-N 2.93Å; T127-R129 VanDerWaalsContact C-N 3.32Å; T127-R129 PolarHBondContact O-N 3.05Å; R129-L133 WeakPolarHBondContact O-CB 3.42Å; R129-L133 VanDerWaalsContact O-CG 3.23Å; R129-L133 WeakPolarHBondContact O-CG 3.35Å; R129-L133 PolarHBondContact O-N 3.25Å; R129-Y164 WeakPolarHBondContact CD-O 3.44Å; R129-S165 PolarHBondContact NE-O 3.31Å; R129-S165 PolarHBondContact NH1-O 3.39Å; R129-E166 VanDerWaalsContact NH2-C 3.28Å; R129-E166 PolarHBondContact NH2-O 3.01Å; R129-V167 VanDerWaalsContact CZ-O 3.26Å; R129-V167 PolarHBondContact NE-O 3.2Å; R129-V167 PolarHBondContact NH2-O 2.77Å; R129-L359 HydrophobicContact CB-CD2 4.37Å; R129-Y364 HydrophobicContact CB-CD1 4.47Å; R129-Y364 HydrophobicContact CB-CE1 4.37Å; R129-Y364 HydrophobicContact CG-CD1 4.12Å; R129-Y364 HydrophobicContact CG-CE1 4.21Å |
| 130 | L | 95.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.3 | -39.1 | 173.9 | -72.4 | 166.7 | 0 | 0 | 0 | 112.7 | S126 T127 H128 D132 L133 Y134 F290 L355 M356 L359 | S126-L130 WeakPolarHBondContact O-CG 3.5Å; S126-L130 PolarHBondContact O-N 3.14Å; T127-L130 PolarHBondContact O-N 3.18Å; T127-L130 VanDerWaalsContact O-N 3.16Å; H128-L130 VanDerWaalsContact C-N 3.31Å; H128-L130 PolarHBondContact O-N 2.83Å; L130-D132 VanDerWaalsContact C-N 3.31Å; L130-D132 PolarHBondContact O-N 3.12Å; L130-L133 PolarHBondContact O-N 3.26Å; L130-Y134 WeakPolarHBondContact O-CB 3.34Å; L130-Y134 WeakPolarHBondContact O-CD2 3.37Å; L130-Y134 PolarHBondContact O-N 3.1Å; L130-F290 HydrophobicContact CB-CE2 4.03Å; L130-F290 HydrophobicContact CB-CZ 4.11Å; L130-F290 HydrophobicContact CD1-CE2 3.99Å; L130-F290 HydrophobicContact CD1-CZ 3.85Å; L130-L355 HydrophobicContact CD1-CB 4.07Å; L130-L355 HydrophobicContact CD1-CD1 4.24Å; L130-L355 HydrophobicContact CD2-CB 4.2Å; L130-L355 HydrophobicContact CD2-CD2 4.44Å; L130-M356 HydrophobicContact CD1-CE 3.73Å; L130-L359 HydrophobicContact CD1-CD1 4.39Å; L130-L359 HydrophobicContact CD2-CD1 4.37Å; L130-L359 HydrophobicContact CD2-CD2 4.12Å; L130-L359 HydrophobicContact CD2-CG 4.2Å; L130-L359 HydrophobicContact CG-CD1 4.1Å; L130-L359 HydrophobicContact CG-CD2 4.41Å; L130-L359 HydrophobicContact CG-CG 4.45Å |
| 131 | F | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.4 | -35.3 | 175.6 | -89.1 | -131 | 0 | 0 | 0 | 111.8 | T127 H128 G135 W136 A137 L144 Y164 L213 L215 F290 I293 | T127-F131 HydrophobicContact CG2-CD2 3.83Å; T127-F131 HydrophobicContact CG2-CE2 3.71Å; T127-F131 WeakPolarHBondContact O-CD2 3.39Å; T127-F131 PolarHBondContact O-N 3.07Å; H128-F131 PolarHBondContact O-N 3.02Å; F131-G135 PolarHBondContact O-N 3.12Å; F131-W136 HydrophobicContact CD1-CB 4.24Å; F131-W136 HydrophobicContact CD1-CE3 4.23Å; F131-W136 AromaticContact CD2-CE3 3.94Å; F131-W136 HydrophobicContact CD2-CE3 3.94Å; F131-W136 HydrophobicContact CD2-CZ3 4.31Å; F131-W136 HydrophobicContact CE1-CE3 4.24Å; F131-W136 AromaticContact CE2-CE3 3.94Å; F131-W136 HydrophobicContact CE2-CE3 3.94Å; F131-W136 HydrophobicContact CE2-CZ3 4.05Å; F131-W136 HydrophobicContact CG-CB 4.49Å; F131-W136 HydrophobicContact CG-CE3 4.08Å; F131-W136 HydrophobicContact CZ-CE3 4.1Å; F131-W136 HydrophobicContact CZ-CZ3 4.4Å; F131-W136 PolarHBondContact O-N 3.13Å; F131-A137 PolarHBondContact O-N 3.26Å; F131-L144 HydrophobicContact CD1-CD1 4.23Å; F131-L144 HydrophobicContact CD1-CD2 3.96Å; F131-L144 HydrophobicContact CD2-CD1 4.31Å; F131-L144 HydrophobicContact CE1-CD1 4.33Å; F131-L144 HydrophobicContact CE1-CD2 3.42Å; F131-L144 VanDerWaalsContact CE1-CD2 3.42Å; F131-L144 HydrophobicContact CE1-CG 4.49Å; F131-L144 HydrophobicContact CE2-CD1 4.41Å; F131-L144 HydrophobicContact CE2-CD2 4.5Å; F131-L144 HydrophobicContact CG-CD1 4.23Å; F131-L144 HydrophobicContact CZ-CD1 4.41Å; F131-L144 HydrophobicContact CZ-CD2 3.74Å; F131-Y164 HydrophobicContact CB-CD2 3.68Å; F131-Y164 HydrophobicContact CB-CE2 3.86Å; F131-Y164 HydrophobicContact CD1-CE2 4.06Å; F131-Y164 HydrophobicContact CG-CE2 4.26Å; F131-L213 HydrophobicContact CZ-CB 4.26Å; F131-L213 HydrophobicContact CZ-CD1 4.39Å; F131-L215 HydrophobicContact CD1-CD1 3.97Å; F131-L215 HydrophobicContact CE1-CD1 3.37Å; F131-L215 HydrophobicContact CZ-CD1 3.96Å; F131-F290 HydrophobicContact CD2-CE2 4.16Å; F131-F290 HydrophobicContact CE2-CD2 4.11Å; F131-F290 AromaticContact CE2-CE2 3.91Å; F131-F290 HydrophobicContact CE2-CE2 3.91Å; F131-I293 HydrophobicContact CE2-CG2 4.2Å; F131-I293 HydrophobicContact CZ-CG2 3.94Å |
| 132 | D | 91.9 | Very high | 86.8 | Confident | 58 Ų | 58 | 40.6 Ų | 40.6 | 31% | 0.31 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.1 | -53.4 | 170.5 | -175.6 | 64.5 | 0 | 0 | 0 | 111.6 | H128 L130 Y134 G135 S165 | H128-D132 PolarHBondContact O-N 2.6Å; L130-D132 VanDerWaalsContact C-N 3.31Å; L130-D132 PolarHBondContact O-N 3.12Å; D132-Y134 PolarHBondContact O-N 2.69Å; D132-G135 PolarHBondContact O-N 2.75Å; D132-S165 VanDerWaalsContact OD2-CB 3.25Å; D132-S165 WeakPolarHBondContact OD2-CB 3.35Å |
| 133 | L | 92.2 | Very high | 86.6 | Confident | 79 Ų | 79 | 41.2 Ų | 41.2 | 41% | 0.414 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.6 | -24.8 | 179.2 | -74.1 | 169.5 | 0 | 0 | 0 | 114.3 | R129 L130 L359 L362 Y364 | R129-L133 WeakPolarHBondContact O-CB 3.42Å; R129-L133 VanDerWaalsContact O-CG 3.23Å; R129-L133 WeakPolarHBondContact O-CG 3.35Å; R129-L133 PolarHBondContact O-N 3.25Å; L130-L133 PolarHBondContact O-N 3.26Å; L133-L359 HydrophobicContact CD1-CD2 3.62Å; L133-L362 HydrophobicContact CD1-CD1 4.21Å; L133-Y364 HydrophobicContact CD1-CE2 4.02Å |
| 134 | Y | 92.2 | Very high | 86.6 | Confident | 79 Ų | 79 | 39.5 Ų | 39.5 | 31% | 0.31 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 0.3 | 173 | -64.6 | -24.4 | 0 | 0 | 0 | 114 | L130 D132 W136 F290 Y294 L355 | L130-Y134 WeakPolarHBondContact O-CB 3.34Å; L130-Y134 WeakPolarHBondContact O-CD2 3.37Å; L130-Y134 PolarHBondContact O-N 3.1Å; D132-Y134 PolarHBondContact O-N 2.69Å; Y134-W136 VanDerWaalsContact C-N 3.29Å; Y134-W136 HydrophobicContact CD2-CD2 4.35Å; Y134-W136 AromaticContact CD2-CE2 3.98Å; Y134-W136 HydrophobicContact CD2-CE3 4.29Å; Y134-W136 AromaticContact CD2-CH2 3.56Å; Y134-W136 HydrophobicContact CD2-CH2 3.56Å; Y134-W136 AromaticContact CD2-CZ2 3.58Å; Y134-W136 HydrophobicContact CD2-CZ2 3.58Å; Y134-W136 AromaticContact CD2-CZ3 3.92Å; Y134-W136 HydrophobicContact CD2-CZ3 3.92Å; Y134-W136 HydrophobicContact CE2-CH2 4.08Å; Y134-W136 HydrophobicContact CE2-CZ2 4.35Å; Y134-W136 HydrophobicContact CG-CZ2 4.11Å; Y134-W136 PolarHBondContact O-N 3.06Å; Y134-W136 PolarHBondContact O-NE1 3.32Å; Y134-F290 AromaticContact CE2-CZ 3.91Å; Y134-F290 HydrophobicContact CE2-CZ 3.91Å; Y134-Y294 AromaticContact CE2-CD2 3.89Å; Y134-Y294 HydrophobicContact CE2-CD2 3.89Å; Y134-Y294 AromaticContact CE2-CE2 3.8Å; Y134-Y294 HydrophobicContact CE2-CE2 3.8Å; Y134-Y294 AromaticContact CZ-CE2 3.97Å; Y134-L355 VanDerWaalsContact OH-CD2 3.26Å; Y134-L355 WeakPolarHBondContact OH-CD2 3.45Å |
| 135 | G | 90.7 | Very high | 86.6 | Confident | 35 Ų | 35 | 39.5 Ų | 39.5 | 36% | 0.361 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 17.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F131 D132 | F131-G135 PolarHBondContact O-N 3.12Å; D132-G135 PolarHBondContact O-N 2.75Å |
| 136 | W | 90.8 | Very high | 86.6 | Confident | 23 Ų | 23 | 39.7 Ų | 39.7 | 9% | 0.087 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -18.3 | -177.5 | -58.2 | -9.2 | 0 | 0 | 0 | 113.1 | F131 Y134 S140 L215 T217 I293 Y294 Q297 | F131-W136 HydrophobicContact CD1-CB 4.24Å; F131-W136 HydrophobicContact CD1-CE3 4.23Å; F131-W136 AromaticContact CD2-CE3 3.94Å; F131-W136 HydrophobicContact CD2-CE3 3.94Å; F131-W136 HydrophobicContact CD2-CZ3 4.31Å; F131-W136 HydrophobicContact CE1-CE3 4.24Å; F131-W136 AromaticContact CE2-CE3 3.94Å; F131-W136 HydrophobicContact CE2-CE3 3.94Å; F131-W136 HydrophobicContact CE2-CZ3 4.05Å; F131-W136 HydrophobicContact CG-CB 4.49Å; F131-W136 HydrophobicContact CG-CE3 4.08Å; F131-W136 HydrophobicContact CZ-CE3 4.1Å; F131-W136 HydrophobicContact CZ-CZ3 4.4Å; F131-W136 PolarHBondContact O-N 3.13Å; Y134-W136 VanDerWaalsContact C-N 3.29Å; Y134-W136 HydrophobicContact CD2-CD2 4.35Å; Y134-W136 AromaticContact CD2-CE2 3.98Å; Y134-W136 HydrophobicContact CD2-CE3 4.29Å; Y134-W136 AromaticContact CD2-CH2 3.56Å; Y134-W136 HydrophobicContact CD2-CH2 3.56Å; Y134-W136 AromaticContact CD2-CZ2 3.58Å; Y134-W136 HydrophobicContact CD2-CZ2 3.58Å; Y134-W136 AromaticContact CD2-CZ3 3.92Å; Y134-W136 HydrophobicContact CD2-CZ3 3.92Å; Y134-W136 HydrophobicContact CE2-CH2 4.08Å; Y134-W136 HydrophobicContact CE2-CZ2 4.35Å; Y134-W136 HydrophobicContact CG-CZ2 4.11Å; Y134-W136 PolarHBondContact O-N 3.06Å; Y134-W136 PolarHBondContact O-NE1 3.32Å; W136-S140 PolarHBondContact O-OG 2.96Å; W136-L215 HydrophobicContact CB-CD1 3.89Å; W136-L215 HydrophobicContact CD2-CD1 4.03Å; W136-L215 HydrophobicContact CE3-CD1 3.69Å; W136-L215 HydrophobicContact CG-CD1 4.14Å; W136-T217 HydrophobicContact CB-CG2 4.04Å; W136-T217 HydrophobicContact CG-CG2 4Å; W136-I293 HydrophobicContact CZ3-CG2 4.41Å; W136-Y294 AromaticContact CH2-CD2 3.81Å; W136-Y294 HydrophobicContact CH2-CD2 3.81Å; W136-Y294 HydrophobicContact CH2-CG 4.4Å; W136-Y294 HydrophobicContact CZ2-CD2 4.45Å; W136-Q297 HydrophobicContact CH2-CB 4.35Å; W136-Q297 HydrophobicContact CH2-CG 4.43Å; W136-Q297 HydrophobicContact CZ2-CB 4.09Å; W136-Q297 HydrophobicContact CZ2-CG 3.69Å |
| 137 | A | 80.3 | Confident | 86.6 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 12.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F131 I139 Y164 | F131-A137 PolarHBondContact O-N 3.26Å; A137-I139 PolarHBondContact O-N 2.85Å; A137-Y164 HydrophobicContact CB-CD1 4.33Å; A137-Y164 HydrophobicContact CB-CD2 3.46Å; A137-Y164 VanDerWaalsContact CB-CD2 3.46Å; A137-Y164 HydrophobicContact CB-CE2 4.08Å; A137-Y164 HydrophobicContact CB-CG 3.59Å |
| 138 | Q | 62.6 | Low | 86.4 | Confident | 163 Ų | 163 | 40.1 Ų | 40.1 | 76% | 0.762 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 97.6 | -175.2 | -75 | -169.2 | -33.4 | 0 | 0 | 112.7 | S140 | Q138-S140 PolarHBondContact O-N 2.99Š|
| 139 | I | 58.5 | Low | 86 | Confident | 178 Ų | 178 | 40.7 Ų | 40.7 | 91% | 0.913 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 31.3 | 175 | -33.8 | -178.4 | 0 | 0 | 0 | 112.3 | A137 | A137-I139 PolarHBondContact O-N 2.85Š|
| 140 | S | 56 | Low | 85.5 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 21% | 0.21 | 23% | 0.234 | C | C | . | . | trans | -107.2 | 138.4 | -172.7 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | W136 Q138 T142 | W136-S140 PolarHBondContact O-OG 2.96Å; Q138-S140 PolarHBondContact O-N 2.99Å; S140-T142 PolarHBondContact O-N 3.07Å | ||
| 141 | H | 69.2 | Low | 85 | Confident | 126 Ų | 126 | 54.2 Ų | 54.2 | 58% | 0.583 | 28% | 0.275 | S | S | * | . | trans | -75.6 | 37.3 | 176.3 | -59.2 | -50.3 | 0 | 0 | 0 | 112.4 | H216 | H141-H216 PolarHBondContact O-CE1 3.2Å; H141-H216 VanDerWaalsContact O-CE1 3.31Å | ||
| 142 | T | 84.8 | Confident | 84.6 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | trans | -62 | 142.1 | 172.2 | 54.6 | 0 | 0 | 0 | 0 | 110.2 | S140 Y164 H214 H216 | S140-T142 PolarHBondContact O-N 3.07Å; T142-Y164 VanDerWaalsContact C-OH 3.32Å; T142-Y164 PolarHBondContact O-OH 3.25Å; T142-Y164 PolarHBondContact OG1-OH 3.09Å; T142-Y164 VanDerWaalsContact OG1-OH 3.05Å; T142-H214 VanDerWaalsContact CB-O 3.26Å; T142-H214 WeakPolarHBondContact CB-O 3.27Å; T142-H214 WeakPolarHBondContact CG2-O 3.39Å; T142-H216 HydrophobicContact CG2-CB 4.13Å | ||
| 143 | L | 91 | Very high | 84.6 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | trans | -132.6 | 125.9 | -177.3 | -175.2 | 62 | 0 | 0 | 0 | 109.4 | T145 V157 K195 H199 H214 | L143-T145 HydrophobicContact CD1-CG2 4.26Å; L143-T145 HydrophobicContact CD2-CG2 4.3Å; L143-T145 HydrophobicContact CG-CG2 3.98Å; L143-V157 HydrophobicContact CD1-CG1 3.91Å; L143-K195 HydrophobicContact CD2-CB 4.42Å; L143-K195 WeakPolarHBondContact CD2-O 3.23Å; L143-H199 HydrophobicContact CD2-CB 4.38Å; L143-H199 PolarHBondContact O-CE1 3.25Å; L143-H199 VanDerWaalsContact O-CE1 3.25Å; L143-H214 HydrophobicContact CB-CB 4.47Å; L143-H214 WeakPolarHBondContact O-CB 3.41Å; L143-H214 PolarHBondContact O-N 2.99Å | ||
| 144 | L | 95.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.3 | 175.9 | -41.9 | -174.2 | 0 | 0 | 0 | 108.2 | L124 T127 F131 Y164 L212 L213 | L124-L144 HydrophobicContact CD1-CB 3.75Å; T127-L144 HydrophobicContact CG2-CD1 3.93Å; F131-L144 HydrophobicContact CD1-CD1 4.23Å; F131-L144 HydrophobicContact CD1-CD2 3.96Å; F131-L144 HydrophobicContact CD2-CD1 4.31Å; F131-L144 HydrophobicContact CE1-CD1 4.33Å; F131-L144 HydrophobicContact CE1-CD2 3.42Å; F131-L144 VanDerWaalsContact CE1-CD2 3.42Å; F131-L144 HydrophobicContact CE1-CG 4.49Å; F131-L144 HydrophobicContact CE2-CD1 4.41Å; F131-L144 HydrophobicContact CE2-CD2 4.5Å; F131-L144 HydrophobicContact CG-CD1 4.23Å; F131-L144 HydrophobicContact CZ-CD1 4.41Å; F131-L144 HydrophobicContact CZ-CD2 3.74Å; L144-Y164 HydrophobicContact CD1-CE2 3.91Å; L144-Y164 HydrophobicContact CG-CE2 4.13Å; L144-L212 WeakPolarHBondContact CA-O 2.96Å; L144-L213 HydrophobicContact CB-CD2 3.82Å; L144-L213 HydrophobicContact CD1-CD2 4.22Å; L144-L213 HydrophobicContact CD2-CB 4.08Å; L144-L213 HydrophobicContact CD2-CD2 3.77Å; L144-L213 HydrophobicContact CG-CD2 4.12Å |
| 145 | T | 96.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 151 | -178.8 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | L143 L156 V157 F196 H199 Y203 C211 L212 | L143-T145 HydrophobicContact CD1-CG2 4.26Å; L143-T145 HydrophobicContact CD2-CG2 4.3Å; L143-T145 HydrophobicContact CG-CG2 3.98Å; T145-L156 VanDerWaalsContact CA-O 3.32Å; T145-L156 WeakPolarHBondContact CA-O 3.42Å; T145-V157 HydrophobicContact CG2-CG1 4.33Å; T145-V157 HydrophobicContact CG2-CG2 4.02Å; T145-F196 HydrophobicContact CG2-CD2 4.13Å; T145-F196 HydrophobicContact CG2-CE2 4.09Å; T145-H199 HydrophobicContact CG2-CB 4.43Å; T145-H199 WeakPolarHBondContact CG2-ND1 3.14Å; T145-H199 PolarHBondContact OG1-ND1 2.85Å; T145-Y203 PolarHBondContact O-OH 3Å; T145-Y203 VanDerWaalsContact OG1-CE2 3.26Å; T145-Y203 WeakPolarHBondContact OG1-CE2 3.27Å; T145-Y203 PolarHBondContact OG1-OH 3.15Å; T145-C211 WeakPolarHBondContact O-CA 3.36Å; T145-L212 PolarHBondContact N-O 2.97Å; T145-L212 PolarHBondContact O-N 3.25Å; T145-L212 VanDerWaalsContact O-N 3.11Å |
| 146 | L | 97 | Very high | 85.2 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 116.4 | -177.7 | -173.5 | 61.7 | 0 | 0 | 0 | 112.6 | M120 L124 V148 L156 Y203 R210 C211 M286 | M120-L146 HydrophobicContact CB-CD2 3.69Å; M120-L146 HydrophobicContact CG-CD2 4.28Å; M120-L146 WeakPolarHBondContact O-CD2 3.34Å; L124-L146 HydrophobicContact CB-CD2 4.24Å; L124-L146 HydrophobicContact CD2-CB 4.07Å; L146-V148 PolarHBondContact O-N 3.48Å; L146-L156 PolarHBondContact N-O 2.91Å; L146-L156 VanDerWaalsContact N-O 3.16Å; L146-L156 PolarHBondContact O-N 3.03Å; L146-Y203 PolarHBondContact N-OH 2.97Å; L146-R210 HydrophobicContact CD1-CG 4.14Å; L146-C211 HydrophobicContact CD1-CB 3.9Å; L146-M286 HydrophobicContact CD1-SD 4.05Å; L146-M286 HydrophobicContact CD2-SD 3.96Å; L146-M286 HydrophobicContact CG-SD 4.44Å |
| 147 | R | 95.8 | Very high | 85.4 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 118.2 | 176.4 | -164.1 | 179.9 | -130.1 | 145.1 | -1 | 110.2 | E153 H154 F155 Y203 R206 V209 R210 | R147-E153 IonicContact CZ-OE1 2.65Å; R147-E153 IonicContact NE-OE1 3.82Å; R147-E153 PolarHBondContact NE-OE1 2.88Å; R147-E153 IonicContact NH2-OE1 3.54Å; R147-E153 PolarHBondContact NH2-OE1 2.97Å; R147-H154 CarbonylContact C-O 3.59Å; R147-F155 HydrophobicContact CB-CD1 3.7Å; R147-F155 HydrophobicContact CB-CE1 3.67Å; R147-F155 HydrophobicContact CG-CD1 3.87Å; R147-F155 HydrophobicContact CG-CE1 3.43Å; R147-F155 VanDerWaalsContact CG-CE1 3.43Å; R147-F155 HydrophobicContact CG-CZ 4.16Å; R147-Y203 HydrophobicContact CB-CE1 4.29Å; R147-Y203 PolarHBondContact NH1-O 3.4Å; R147-Y203 PolarHBondContact NH2-O 2.93Å; R147-R206 PolarHBondContact NH1-O 3.35Å; R147-V209 PolarHBondContact NH1-O 2.89Å; R147-R210 HydrophobicContact CB-CG 4.02Å; R147-R210 WeakPolarHBondContact CB-O 3.37Å; R147-R210 PolarHBondContact N-O 2.85Å; R147-R210 WeakPolarHBondContact O-CG 3.35Å; R147-R210 VanDerWaalsContact O-CZ 3.26Å; R147-R210 PolarHBondContact O-NE 3.37Å; R147-R210 PolarHBondContact O-NH2 3.39Å |
| 148 | V | 93 | Very high | 86 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -50.1 | -179.3 | -178.1 | 0 | 0 | 0 | 0 | 111 | V114 E117 M120 L146 H154 L156 K174 R210 | V114-V148 HydrophobicContact CB-CG1 4.17Å; E117-V148 HydrophobicContact CB-CG1 3.85Å; E117-V148 HydrophobicContact CG-CG1 3.66Å; E117-V148 HydrophobicContact CG-CG2 4.32Å; M120-V148 HydrophobicContact SD-CG1 4.39Å; L146-V148 PolarHBondContact O-N 3.48Å; V148-H154 PolarHBondContact N-O 3.11Å; V148-L156 HydrophobicContact CG2-CD1 3.78Å; V148-L156 HydrophobicContact CG2-CD2 4.24Å; V148-L156 HydrophobicContact CG2-CG 3.53Å; V148-K174 HydrophobicContact CG2-CD 4.43Å; V148-R210 PolarHBondContact O-NH2 2.87Å |
| 149 | S | 85.8 | Confident | 87.4 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 137 | 179.1 | -179.1 | 0 | 0 | 0 | 0 | 110 | E151 Q152 E153 | S149-E151 PolarHBondContact OG-N 2.82Å; S149-E151 VanDerWaalsContact OG-N 3.16Å; S149-Q152 PolarHBondContact OG-N 2.92Å; S149-E153 PolarHBondContact O-N 2.88Å |
| 150 | K | 83.2 | Confident | 88.9 | Confident | 108 Ų | 108 | 39.5 Ų | 39.5 | 47% | 0.47 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -14.2 | 169.6 | -65.5 | -151.6 | 173.7 | -155 | 0 | 112.8 | P207 D208 | K150-P207 PolarHBondContact NZ-O 3.01Å; K150-D208 PolarHBondContact NZ-O 2.93Å |
| 151 | E | 84.4 | Confident | 90.4 | Very high | 186 Ų | 186 | 41.5 Ų | 41.5 | 87% | 0.869 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -28.2 | -176.9 | -65.6 | 166.7 | -172.3 | 0 | 0 | 112.1 | S149 | S149-E151 PolarHBondContact OG-N 2.82Å; S149-E151 VanDerWaalsContact OG-N 3.16Å |
| 152 | Q | 85.1 | Confident | 91.3 | Very high | 104 Ų | 104 | 37.1 Ų | 37.1 | 49% | 0.486 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -4.3 | -179.2 | -59.6 | 173.5 | -34.2 | 0 | 0 | 113.2 | S149 H154 | S149-Q152 PolarHBondContact OG-N 2.92Å; Q152-H154 WeakPolarHBondContact CB-ND1 3.39Å; Q152-H154 PolarHBondContact O-CD2 2.89Å; Q152-H154 PolarHBondContact O-N 3.46Å; Q152-H154 PolarHBondContact OE1-CE1 3.02Å; Q152-H154 PolarHBondContact OE1-ND1 2.91Å |
| 153 | E | 92.6 | Very high | 91.6 | Very high | 63 Ų | 63 | 38.5 Ų | 38.5 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 44.3 | -177.6 | -55.4 | -119.8 | 75 | 0 | 0 | 112.9 | R147 S149 F155 L177 | R147-E153 IonicContact CZ-OE1 2.65Å; R147-E153 IonicContact NE-OE1 3.82Å; R147-E153 PolarHBondContact NE-OE1 2.88Å; R147-E153 IonicContact NH2-OE1 3.54Å; R147-E153 PolarHBondContact NH2-OE1 2.97Å; S149-E153 PolarHBondContact O-N 2.88Å; E153-F155 HydrophobicContact CB-CE2 4.25Å; E153-F155 HydrophobicContact CB-CZ 4.49Å; E153-F155 VanDerWaalsContact O-CD2 3.23Å; E153-F155 WeakPolarHBondContact O-CD2 3.35Å; E153-F155 WeakPolarHBondContact O-CE2 3.41Å; E153-L177 HydrophobicContact CB-CB 4.36Å; E153-L177 PolarHBondContact O-N 3.41Å |
| 154 | H | 94.6 | Very high | 91.6 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 14% | 0.144 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 134 | 176.8 | -68.4 | 157.3 | 0 | 0 | 0 | 111 | R147 V148 Q152 K174 V175 | R147-H154 CarbonylContact C-O 3.59Å; V148-H154 PolarHBondContact N-O 3.11Å; Q152-H154 WeakPolarHBondContact CB-ND1 3.39Å; Q152-H154 PolarHBondContact O-CD2 2.89Å; Q152-H154 PolarHBondContact O-N 3.46Å; Q152-H154 PolarHBondContact OE1-CE1 3.02Å; Q152-H154 PolarHBondContact OE1-ND1 2.91Å; H154-K174 HydrophobicContact CB-CD 4.28Å; H154-K174 HydrophobicContact CB-CG 4.12Å; H154-V175 CarbonylContact C-O 3.55Å; H154-V175 WeakPolarHBondContact CA-O 3.43Å |
| 155 | F | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.2 | -176.9 | -54.2 | -84.9 | 0 | 0 | 0 | 110.9 | R147 E153 K174 V175 L177 F196 Y203 | R147-F155 HydrophobicContact CB-CD1 3.7Å; R147-F155 HydrophobicContact CB-CE1 3.67Å; R147-F155 HydrophobicContact CG-CD1 3.87Å; R147-F155 HydrophobicContact CG-CE1 3.43Å; R147-F155 VanDerWaalsContact CG-CE1 3.43Å; R147-F155 HydrophobicContact CG-CZ 4.16Å; E153-F155 HydrophobicContact CB-CE2 4.25Å; E153-F155 HydrophobicContact CB-CZ 4.49Å; E153-F155 VanDerWaalsContact O-CD2 3.23Å; E153-F155 WeakPolarHBondContact O-CD2 3.35Å; E153-F155 WeakPolarHBondContact O-CE2 3.41Å; F155-K174 CarbonylContact O-C 3.46Å; F155-K174 WeakPolarHBondContact O-CA 3.26Å; F155-V175 HydrophobicContact CB-CG2 4.13Å; F155-V175 PolarHBondContact N-O 3.4Å; F155-V175 PolarHBondContact O-N 2.81Å; F155-L177 HydrophobicContact CE2-CB 4.13Å; F155-L177 HydrophobicContact CE2-CD1 3.73Å; F155-L177 HydrophobicContact CZ-CD1 3.9Å; F155-F196 HydrophobicContact CB-CE2 4.27Å; F155-F196 HydrophobicContact CB-CZ 4.12Å; F155-F196 AromaticContact CD2-CZ 3.86Å; F155-F196 HydrophobicContact CD2-CZ 3.86Å; F155-F196 HydrophobicContact CG-CZ 4.06Å; F155-Y203 HydrophobicContact CD1-CD1 4.37Å; F155-Y203 AromaticContact CD1-CD2 3.48Å; F155-Y203 HydrophobicContact CD1-CD2 3.48Å; F155-Y203 VanDerWaalsContact CD1-CD2 3.48Å; F155-Y203 HydrophobicContact CD1-CE1 4.18Å; F155-Y203 AromaticContact CD1-CE2 3.25Å; F155-Y203 HydrophobicContact CD1-CE2 3.25Å; F155-Y203 HydrophobicContact CD1-CG 4.04Å; F155-Y203 AromaticContact CD1-CZ 3.63Å; F155-Y203 AromaticContact CE1-CD1 3.64Å; F155-Y203 HydrophobicContact CE1-CD1 3.64Å; F155-Y203 AromaticContact CE1-CD2 3.17Å; F155-Y203 HydrophobicContact CE1-CD2 3.17Å; F155-Y203 AromaticContact CE1-CE1 3.87Å; F155-Y203 HydrophobicContact CE1-CE1 3.87Å; F155-Y203 AromaticContact CE1-CE2 3.44Å; F155-Y203 HydrophobicContact CE1-CE2 3.44Å; F155-Y203 VanDerWaalsContact CE1-CE2 3.44Å; F155-Y203 AromaticContact CE1-CG 3.28Å; F155-Y203 HydrophobicContact CE1-CG 3.28Å; F155-Y203 AromaticContact CE1-CZ 3.76Å; F155-Y203 HydrophobicContact CG-CD2 4.27Å; F155-Y203 HydrophobicContact CG-CE2 4.11Å; F155-Y203 HydrophobicContact CZ-CD1 4.45Å; F155-Y203 AromaticContact CZ-CD2 3.77Å; F155-Y203 HydrophobicContact CZ-CD2 3.77Å; F155-Y203 HydrophobicContact CZ-CE2 4.41Å; F155-Y203 AromaticContact CZ-CG 3.78Å; F155-Y203 HydrophobicContact CZ-CG 3.78Å |
| 156 | L | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 135 | 167 | -66 | 164.1 | 0 | 0 | 0 | 109.7 | M120 R121 L124 T145 L146 V148 L172 V173 K174 | M120-L156 HydrophobicContact CB-CD1 4.19Å; R121-L156 HydrophobicContact CB-CD1 4.39Å; R121-L156 HydrophobicContact CG-CD1 3.57Å; R121-L156 HydrophobicContact CG-CD2 3.83Å; R121-L156 HydrophobicContact CG-CG 4.36Å; L124-L156 HydrophobicContact CD2-CB 3.59Å; T145-L156 VanDerWaalsContact CA-O 3.32Å; T145-L156 WeakPolarHBondContact CA-O 3.42Å; L146-L156 PolarHBondContact N-O 2.91Å; L146-L156 VanDerWaalsContact N-O 3.16Å; L146-L156 PolarHBondContact O-N 3.03Å; V148-L156 HydrophobicContact CG2-CD1 3.78Å; V148-L156 HydrophobicContact CG2-CD2 4.24Å; V148-L156 HydrophobicContact CG2-CG 3.53Å; L156-L172 HydrophobicContact CD2-CB 4.35Å; L156-V173 WeakPolarHBondContact CA-O 3.47Å; L156-K174 HydrophobicContact CD2-CB 4.36Å |
| 157 | V | 95.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 148.8 | -178.3 | -168.3 | 0 | 0 | 0 | 0 | 108.9 | L143 T145 V173 V175 V191 F196 | L143-V157 HydrophobicContact CD1-CG1 3.91Å; T145-V157 HydrophobicContact CG2-CG1 4.33Å; T145-V157 HydrophobicContact CG2-CG2 4.02Å; V157-V173 PolarHBondContact N-O 3.35Å; V157-V173 PolarHBondContact O-N 3.15Å; V157-V175 HydrophobicContact CG2-CG2 3.58Å; V157-V191 HydrophobicContact CB-CG1 4.36Å; V157-V191 HydrophobicContact CG1-CG1 3.92Å; V157-F196 HydrophobicContact CG2-CD2 3.82Å; V157-F196 HydrophobicContact CG2-CE2 3.74Å |
| 158 | L | 93.6 | Very high | 90.8 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 12% | 0.115 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 127.6 | 169.1 | -172.8 | 73.7 | 0 | 0 | 0 | 109.6 | L162 Y164 V167 L172 | L158-L162 HydrophobicContact CD1-CB 4.5Å; L158-L162 HydrophobicContact CD1-CD2 4.03Å; L158-Y164 HydrophobicContact CD2-CD1 3.6Å; L158-Y164 HydrophobicContact CD2-CE1 3.45Å; L158-Y164 VanDerWaalsContact CD2-CE1 3.45Å; L158-V167 HydrophobicContact CD1-CB 4.13Å; L158-V167 HydrophobicContact CD1-CG1 3.6Å; L158-V167 HydrophobicContact CD1-CG2 3.41Å; L158-V167 VanDerWaalsContact CD1-CG2 3.41Å; L158-V167 HydrophobicContact CD2-CG2 4.4Å; L158-L172 HydrophobicContact CD1-CD2 4.35Å |
| 159 | P | 92.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 153 | 172.7 | 30.8 | -34.7 | 0 | 0 | 0 | 111.4 | V173 L189 Q190 | P159-V173 HydrophobicContact CB-CG2 3.83Å; P159-V173 HydrophobicContact CG-CG2 3.99Å; P159-L189 HydrophobicContact CB-CB 3.69Å; P159-L189 HydrophobicContact CG-CB 4.17Å; P159-L189 HydrophobicContact CG-CD1 4.33Å; P159-Q190 CarbonylContact C-O 3.36Å; P159-Q190 WeakPolarHBondContact CA-O 3.45Å; P159-Q190 WeakPolarHBondContact CB-O 3.37Å |
| 160 | E | 89.5 | Confident | 91.1 | Very high | 102 Ų | 102 | 46 Ų | 46 | 48% | 0.477 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 142.8 | -179.4 | -175.3 | 157 | -116 | 0 | 0 | 112 | Q190 K195 | E160-Q190 PolarHBondContact N-O 2.66Å; E160-K195 IonicContact OE1-NZ 2.62Å; E160-K195 PolarHBondContact OE1-NZ 2.94Å |
| 161 | G | 86.6 | Confident | 91.6 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 75% | 0.753 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | -7.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 162 | L | 89.5 | Confident | 92.1 | Very high | 34 Ų | 34 | 32.2 Ų | 32.2 | 18% | 0.178 | 19% | 0.187 | C | C | . | . | trans | -92.9 | 130.6 | 174.2 | -168.9 | 66.1 | 0 | 0 | 0 | 111 | L158 E166 S171 L189 | L158-L162 HydrophobicContact CD1-CB 4.5Å; L158-L162 HydrophobicContact CD1-CD2 4.03Å; L162-E166 HydrophobicContact CD1-CB 3.77Å; L162-E166 HydrophobicContact CG-CB 4.22Å; L162-S171 WeakPolarHBondContact CD2-OG 3.28Å; L162-L189 HydrophobicContact CB-CD1 3.95Å | ||
| 163 | A | 89.1 | Confident | 92.5 | Very high | 41 Ų | 41 | 27.4 Ų | 27.4 | 34% | 0.339 | 16% | 0.164 | S | C | . | . | trans | -74.8 | 150.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | S165 E166 V167 | A163-S165 WeakPolarHBondContact CB-OG 3.23Å; A163-S165 PolarHBondContact O-N 2.95Å; A163-S165 VanDerWaalsContact O-N 3.17Å; A163-E166 HydrophobicContact CB-CG 4.05Å; A163-E166 VanDerWaalsContact CB-OE2 3.31Å; A163-E166 WeakPolarHBondContact CB-OE2 3.26Å; A163-E166 PolarHBondContact N-OE2 3.33Å; A163-E166 WeakPolarHBondContact O-CB 3.32Å; A163-E166 PolarHBondContact O-N 2.97Å; A163-V167 VanDerWaalsContact O-CG2 3.27Å; A163-V167 WeakPolarHBondContact O-CG2 3.19Å; A163-V167 PolarHBondContact O-N 3.44Å | ||
| 164 | Y | 91.3 | Very high | 92.6 | Very high | 22 Ų | 22 | 25 Ų | 25 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26 | 175.1 | -87.3 | 45.1 | 0 | 0 | 0 | 112.5 | H128 R129 F131 A137 T142 L144 L158 E166 | H128-Y164 HydrophobicContact CB-CD2 3.96Å; H128-Y164 HydrophobicContact CB-CG 4.14Å; H128-Y164 AromaticContact CE1-CE1 3.92Å; H128-Y164 AromaticContact CE1-CZ 3.69Å; H128-Y164 AromaticContact ND1-CD1 3.64Å; H128-Y164 AromaticContact ND1-CD2 3.46Å; H128-Y164 WeakPolarHBondContact ND1-CD2 3.35Å; H128-Y164 AromaticContact ND1-CE1 3.42Å; H128-Y164 WeakPolarHBondContact ND1-CE1 3.46Å; H128-Y164 AromaticContact ND1-CE2 3.25Å; H128-Y164 WeakPolarHBondContact ND1-CE2 3.21Å; H128-Y164 AromaticContact ND1-CG 3.67Å; H128-Y164 AromaticContact ND1-CZ 3.23Å; H128-Y164 WeakPolarHBondContact O-CD2 3.49Å; R129-Y164 WeakPolarHBondContact CD-O 3.44Å; F131-Y164 HydrophobicContact CB-CD2 3.68Å; F131-Y164 HydrophobicContact CB-CE2 3.86Å; F131-Y164 HydrophobicContact CD1-CE2 4.06Å; F131-Y164 HydrophobicContact CG-CE2 4.26Å; A137-Y164 HydrophobicContact CB-CD1 4.33Å; A137-Y164 HydrophobicContact CB-CD2 3.46Å; A137-Y164 VanDerWaalsContact CB-CD2 3.46Å; A137-Y164 HydrophobicContact CB-CE2 4.08Å; A137-Y164 HydrophobicContact CB-CG 3.59Å; T142-Y164 VanDerWaalsContact C-OH 3.32Å; T142-Y164 PolarHBondContact O-OH 3.25Å; T142-Y164 PolarHBondContact OG1-OH 3.09Å; T142-Y164 VanDerWaalsContact OG1-OH 3.05Å; L144-Y164 HydrophobicContact CD1-CE2 3.91Å; L144-Y164 HydrophobicContact CG-CE2 4.13Å; L158-Y164 HydrophobicContact CD2-CD1 3.6Å; L158-Y164 HydrophobicContact CD2-CE1 3.45Å; L158-Y164 VanDerWaalsContact CD2-CE1 3.45Å; Y164-E166 VanDerWaalsContact C-N 3.28Å; Y164-E166 PolarHBondContact O-N 3.39Å |
| 165 | S | 90.3 | Very high | 92.6 | Very high | 51 Ų | 51 | 23.5 Ų | 23.5 | 36% | 0.357 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.4 | 172.7 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | R129 D132 A163 | R129-S165 PolarHBondContact NE-O 3.31Å; R129-S165 PolarHBondContact NH1-O 3.39Å; D132-S165 VanDerWaalsContact OD2-CB 3.25Å; D132-S165 WeakPolarHBondContact OD2-CB 3.35Å; A163-S165 WeakPolarHBondContact CB-OG 3.23Å; A163-S165 PolarHBondContact O-N 2.95Å; A163-S165 VanDerWaalsContact O-N 3.17Å |
| 166 | E | 90.7 | Very high | 92.6 | Very high | 102 Ų | 102 | 25.1 Ų | 25.1 | 48% | 0.477 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -21.7 | -174.5 | -65 | 174.3 | 132.1 | 0 | 0 | 113.6 | R129 L162 A163 Y164 | R129-E166 VanDerWaalsContact NH2-C 3.28Å; R129-E166 PolarHBondContact NH2-O 3.01Å; L162-E166 HydrophobicContact CD1-CB 3.77Å; L162-E166 HydrophobicContact CG-CB 4.22Å; A163-E166 HydrophobicContact CB-CG 4.05Å; A163-E166 VanDerWaalsContact CB-OE2 3.31Å; A163-E166 WeakPolarHBondContact CB-OE2 3.26Å; A163-E166 PolarHBondContact N-OE2 3.33Å; A163-E166 WeakPolarHBondContact O-CB 3.32Å; A163-E166 PolarHBondContact O-N 2.97Å; Y164-E166 VanDerWaalsContact C-N 3.28Å; Y164-E166 PolarHBondContact O-N 3.39Å |
| 167 | V | 92.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -53.9 | 136.1 | -170.9 | -163.9 | 0 | 0 | 0 | 0 | 113.8 | A125 H128 R129 L158 A163 L172 | A125-V167 HydrophobicContact CB-CG1 3.91Å; H128-V167 HydrophobicContact CB-CB 3.99Å; H128-V167 HydrophobicContact CB-CG1 4.32Å; H128-V167 HydrophobicContact CB-CG2 3.64Å; R129-V167 VanDerWaalsContact CZ-O 3.26Å; R129-V167 PolarHBondContact NE-O 3.2Å; R129-V167 PolarHBondContact NH2-O 2.77Å; L158-V167 HydrophobicContact CD1-CB 4.13Å; L158-V167 HydrophobicContact CD1-CG1 3.6Å; L158-V167 HydrophobicContact CD1-CG2 3.41Å; L158-V167 VanDerWaalsContact CD1-CG2 3.41Å; L158-V167 HydrophobicContact CD2-CG2 4.4Å; A163-V167 VanDerWaalsContact O-CG2 3.27Å; A163-V167 WeakPolarHBondContact O-CG2 3.19Å; A163-V167 PolarHBondContact O-N 3.44Å; V167-L172 HydrophobicContact CG1-CD2 3.98Å; V167-L172 HydrophobicContact CG1-CG 4.23Å | ||
| 168 | T | 93.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | trans | -128.5 | 175.8 | 173.8 | 69.3 | 0 | 0 | 0 | 0 | 111.4 | T100 D104 A125 S170 S171 | T100-T168 HydrophobicContact CG2-CG2 3.76Å; D104-T168 VanDerWaalsContact CG-OG1 3.25Å; D104-T168 WeakPolarHBondContact OD1-CB 3.49Å; D104-T168 PolarHBondContact OD1-OG1 3.43Å; D104-T168 WeakPolarHBondContact OD2-CB 3.17Å; D104-T168 PolarHBondContact OD2-OG1 2.82Å; A125-T168 WeakPolarHBondContact CB-O 3.39Å; T168-S170 VanDerWaalsContact C-N 3.32Å; T168-S170 PolarHBondContact OG1-OG 3.16Å; T168-S171 PolarHBondContact N-OG 3.18Å; T168-S171 PolarHBondContact O-N 3.34Å; T168-S171 PolarHBondContact O-OG 3.14Å; T168-S171 PolarHBondContact OG1-N 2.99Å | ||
| 169 | G | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -33.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | I102 D104 R121 | I102-G169 PolarHBondContact O-N 2.98Å; D104-G169 PolarHBondContact OD1-N 3.27Å; R121-G169 WeakPolarHBondContact CB-O 3.47Å; R121-G169 WeakPolarHBondContact CD-O 3.32Å; R121-G169 PolarHBondContact NH1-O 2.87Å |
| 170 | S | 92.8 | Very high | 92.1 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -30.1 | 175.9 | 82.8 | 0 | 0 | 0 | 0 | 113.2 | D104 T168 L172 G185 S186 | D104-S170 WeakPolarHBondContact OD1-CB 3.41Å; D104-S170 PolarHBondContact OD1-N 3.03Å; D104-S170 VanDerWaalsContact OD2-CB 3.27Å; D104-S170 WeakPolarHBondContact OD2-CB 3.35Å; D104-S170 PolarHBondContact OD2-OG 2.84Å; T168-S170 VanDerWaalsContact C-N 3.32Å; T168-S170 PolarHBondContact OG1-OG 3.16Å; S170-L172 VanDerWaalsContact C-N 3.25Å; S170-L172 PolarHBondContact O-N 3.3Å; S170-G185 CarbonylContact O-C 3.54Å; S170-G185 WeakPolarHBondContact O-CA 3.25Å; S170-S186 VanDerWaalsContact C-OG 3.23Å; S170-S186 PolarHBondContact O-N 2.93Å; S170-S186 PolarHBondContact O-OG 2.99Å; S170-S186 VanDerWaalsContact OG-CB 3.26Å; S170-S186 WeakPolarHBondContact OG-CB 3.5Å; S170-S186 PolarHBondContact OG-OG 3.2Å |
| 171 | S | 93.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.2 | -174.3 | 78.6 | 0 | 0 | 0 | 0 | 114.5 | L162 T168 S186 | L162-S171 WeakPolarHBondContact CD2-OG 3.28Å; T168-S171 PolarHBondContact N-OG 3.18Å; T168-S171 PolarHBondContact O-N 3.34Å; T168-S171 PolarHBondContact O-OG 3.14Å; T168-S171 PolarHBondContact OG1-N 2.99Å; S171-S186 WeakPolarHBondContact CA-OG 3.46Å; S171-S186 PolarHBondContact N-OG 3.46Å |
| 172 | L | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 134.4 | 178.8 | -69 | 166.8 | 0 | 0 | 0 | 111.7 | R121 L124 A125 L156 L158 V167 S170 | R121-L172 HydrophobicContact CB-CD1 4.25Å; R121-L172 HydrophobicContact CG-CD1 4.48Å; R121-L172 PolarHBondContact NH1-O 3.17Å; R121-L172 WeakPolarHBondContact O-CD1 3.21Å; L124-L172 HydrophobicContact CB-CD1 3.96Å; L124-L172 HydrophobicContact CD2-CD1 4.02Å; L124-L172 HydrophobicContact CD2-CD2 3.93Å; L124-L172 HydrophobicContact CG-CD1 4.09Å; L124-L172 HydrophobicContact CG-CD2 4.22Å; A125-L172 HydrophobicContact CB-CD1 4.11Å; L156-L172 HydrophobicContact CD2-CB 4.35Å; L158-L172 HydrophobicContact CD1-CD2 4.35Å; V167-L172 HydrophobicContact CG1-CD2 3.98Å; V167-L172 HydrophobicContact CG1-CG 4.23Å; S170-L172 VanDerWaalsContact C-N 3.25Å; S170-L172 PolarHBondContact O-N 3.3Å |
| 173 | V | 94.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 143.9 | 177.6 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | L156 V157 P159 V175 V181 E183 V191 | L156-V173 WeakPolarHBondContact CA-O 3.47Å; V157-V173 PolarHBondContact N-O 3.35Å; V157-V173 PolarHBondContact O-N 3.15Å; P159-V173 HydrophobicContact CB-CG2 3.83Å; P159-V173 HydrophobicContact CG-CG2 3.99Å; V173-V175 HydrophobicContact CG1-CG1 4.11Å; V173-V181 HydrophobicContact CG1-CB 4.28Å; V173-V181 HydrophobicContact CG1-CG1 3.5Å; V173-V181 HydrophobicContact CG1-CG2 3.88Å; V173-E183 WeakPolarHBondContact CG1-O 3.27Å; V173-V191 HydrophobicContact CB-CG2 3.75Å; V173-V191 HydrophobicContact CG1-CG2 3.58Å; V173-V191 HydrophobicContact CG2-CG2 4.1Å |
| 174 | K | 94.5 | Very high | 92.5 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 122.3 | 172.5 | -164.5 | 161.2 | 66.3 | -153.6 | 0 | 109.8 | E117 V148 H154 F155 L156 V182 E183 | E117-K174 VanDerWaalsContact CD-NZ 3.29Å; E117-K174 WeakPolarHBondContact OE1-CD 3.48Å; E117-K174 IonicContact OE1-NZ 3.79Å; E117-K174 PolarHBondContact OE1-NZ 3.16Å; E117-K174 IonicContact OE2-NZ 2.67Å; E117-K174 PolarHBondContact OE2-NZ 2.83Å; V148-K174 HydrophobicContact CG2-CD 4.43Å; H154-K174 HydrophobicContact CB-CD 4.28Å; H154-K174 HydrophobicContact CB-CG 4.12Å; F155-K174 CarbonylContact O-C 3.46Å; F155-K174 WeakPolarHBondContact O-CA 3.26Å; L156-K174 HydrophobicContact CD2-CB 4.36Å; K174-V182 PolarHBondContact O-N 2.95Å; K174-E183 HydrophobicContact CB-CB 3.94Å; K174-E183 WeakPolarHBondContact CE-OE2 3.49Å; K174-E183 PolarHBondContact N-O 2.84Å; K174-E183 IonicContact NZ-OE2 3.44Å; K174-E183 PolarHBondContact NZ-OE2 2.77Å; K174-E183 PolarHBondContact O-N 3.22Å |
| 175 | V | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 161.6 | 178.9 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | H154 F155 V157 V173 E180 V181 V191 F196 | H154-V175 CarbonylContact C-O 3.55Å; H154-V175 WeakPolarHBondContact CA-O 3.43Å; F155-V175 HydrophobicContact CB-CG2 4.13Å; F155-V175 PolarHBondContact N-O 3.4Å; F155-V175 PolarHBondContact O-N 2.81Å; V157-V175 HydrophobicContact CG2-CG2 3.58Å; V173-V175 HydrophobicContact CG1-CG1 4.11Å; V175-E180 CarbonylContact C-O 3.54Å; V175-E180 WeakPolarHBondContact CA-O 3.5Å; V175-E180 WeakPolarHBondContact CB-O 3.44Å; V175-V181 HydrophobicContact CG1-CG2 4.23Å; V175-V191 HydrophobicContact CG1-CB 4.42Å; V175-V191 HydrophobicContact CG1-CG1 4.28Å; V175-V191 HydrophobicContact CG1-CG2 4.09Å; V175-F196 HydrophobicContact CG2-CD1 4.48Å; V175-F196 HydrophobicContact CG2-CE1 3.93Å; V175-F196 HydrophobicContact CG2-CE2 4.13Å; V175-F196 HydrophobicContact CG2-CZ 3.74Å |
| 176 | N | 94.6 | Very high | 92.2 | Very high | 34 Ų | 34 | 40.5 Ų | 40.5 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | trans | -85.8 | -177.6 | 166.4 | 72.7 | 10.3 | 0 | 0 | 0 | 111.5 | L178 G179 E180 V182 | N176-L178 PolarHBondContact O-N 3.25Å; N176-L178 WeakPolarHBondContact OD1-CA 3.29Å; N176-L178 WeakPolarHBondContact OD1-CB 3.47Å; N176-L178 PolarHBondContact OD1-N 2.61Å; N176-G179 PolarHBondContact O-N 2.89Å; N176-G179 PolarHBondContact OD1-N 3.5Å; N176-E180 PolarHBondContact N-O 3.21Å; N176-E180 PolarHBondContact ND2-OE2 3.31Å; N176-E180 PolarHBondContact OD1-N 3.16Å; N176-V182 HydrophobicContact CB-CG2 4.02Å | ||
| 177 | L | 92.9 | Very high | 91.9 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 19% | 0.194 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.4 | 179.3 | -171.6 | 64.5 | 0 | 0 | 0 | 114.1 | E153 F155 G179 S200 | E153-L177 HydrophobicContact CB-CB 4.36Å; E153-L177 PolarHBondContact O-N 3.41Å; F155-L177 HydrophobicContact CE2-CB 4.13Å; F155-L177 HydrophobicContact CE2-CD1 3.73Å; F155-L177 HydrophobicContact CZ-CD1 3.9Å; L177-G179 VanDerWaalsContact C-N 3.34Å; L177-S200 VanDerWaalsContact O-CB 3.3Å; L177-S200 WeakPolarHBondContact O-CB 3.05Å; L177-S200 PolarHBondContact O-OG 3.36Å |
| 178 | L | 91.1 | Very high | 91.6 | Very high | 130 Ų | 130 | 43.9 Ų | 43.9 | 68% | 0.681 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -4.4 | 176.7 | -56.3 | 178.9 | 0 | 0 | 0 | 112.9 | N176 E180 | N176-L178 PolarHBondContact O-N 3.25Å; N176-L178 WeakPolarHBondContact OD1-CA 3.29Å; N176-L178 WeakPolarHBondContact OD1-CB 3.47Å; N176-L178 PolarHBondContact OD1-N 2.61Å; L178-E180 VanDerWaalsContact C-N 3.34Å; L178-E180 HydrophobicContact CB-CG 4.25Å |
| 179 | G | 91 | Very high | 91.4 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | trans | 86.2 | -1.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N176 L177 | N176-G179 PolarHBondContact O-N 2.89Å; N176-G179 PolarHBondContact OD1-N 3.5Å; L177-G179 VanDerWaalsContact C-N 3.34Å | ||
| 180 | E | 93.1 | Very high | 91.3 | Very high | 118 Ų | 118 | 54.6 Ų | 54.6 | 55% | 0.551 | 29% | 0.292 | S | S | * | . | trans | -67.9 | 136.6 | 177.7 | -55.8 | 175.1 | 120.3 | 0 | 0 | 110.7 | V175 N176 L178 V182 | V175-E180 CarbonylContact C-O 3.54Å; V175-E180 WeakPolarHBondContact CA-O 3.5Å; V175-E180 WeakPolarHBondContact CB-O 3.44Å; N176-E180 PolarHBondContact N-O 3.21Å; N176-E180 PolarHBondContact ND2-OE2 3.31Å; N176-E180 PolarHBondContact OD1-N 3.16Å; L178-E180 VanDerWaalsContact C-N 3.34Å; L178-E180 HydrophobicContact CB-CG 4.25Å; E180-V182 PolarHBondContact O-N 3.37Å | ||
| 181 | V | 94 | Very high | 91.2 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 112 | -175.4 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | V173 V175 K184 V191 | V173-V181 HydrophobicContact CG1-CB 4.28Å; V173-V181 HydrophobicContact CG1-CG1 3.5Å; V173-V181 HydrophobicContact CG1-CG2 3.88Å; V175-V181 HydrophobicContact CG1-CG2 4.23Å; V181-K184 HydrophobicContact CG1-CG 3.67Å; V181-V191 HydrophobicContact CG2-CG2 4.23Å |
| 182 | V | 92.2 | Very high | 91 | Very high | 72 Ų | 72 | 56.3 Ų | 56.3 | 44% | 0.436 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -33.9 | 174.6 | 179.8 | 0 | 0 | 0 | 0 | 111 | K174 N176 E180 | K174-V182 PolarHBondContact O-N 2.95Å; N176-V182 HydrophobicContact CB-CG2 4.02Å; E180-V182 PolarHBondContact O-N 3.37Å |
| 183 | E | 90.3 | Very high | 90.7 | Very high | 36 Ų | 36 | 59.6 Ų | 59.6 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 125.1 | 179.3 | -169.5 | -146.9 | 104 | 0 | 0 | 110.6 | W108 R121 V173 K174 G185 | W108-E183 HydrophobicContact CH2-CG 4.35Å; W108-E183 VanDerWaalsContact CH2-OE1 3.3Å; W108-E183 WeakPolarHBondContact CH2-OE1 3.46Å; W108-E183 HydrophobicContact CZ2-CG 4.16Å; W108-E183 VanDerWaalsContact CZ2-OE1 3.29Å; W108-E183 WeakPolarHBondContact CZ2-OE1 3.42Å; R121-E183 IonicContact CZ-OE1 3.95Å; R121-E183 IonicContact NH1-OE1 3.44Å; R121-E183 VanDerWaalsContact NH2-CD 3.31Å; R121-E183 IonicContact NH2-OE1 2.6Å; R121-E183 PolarHBondContact NH2-OE1 3.36Å; R121-E183 IonicContact NH2-OE2 3.83Å; R121-E183 PolarHBondContact NH2-OE2 2.84Å; V173-E183 WeakPolarHBondContact CG1-O 3.27Å; K174-E183 HydrophobicContact CB-CB 3.94Å; K174-E183 WeakPolarHBondContact CE-OE2 3.49Å; K174-E183 PolarHBondContact N-O 2.84Å; K174-E183 IonicContact NZ-OE2 3.44Å; K174-E183 PolarHBondContact NZ-OE2 2.77Å; K174-E183 PolarHBondContact O-N 3.22Å; E183-G185 VanDerWaalsContact C-N 3.31Å; E183-G185 PolarHBondContact O-N 3.42Å |
| 184 | K | 86.3 | Confident | 90.4 | Very high | 122 Ų | 122 | 65.3 Ų | 65.3 | 53% | 0.53 | 35% | 0.351 | S | S | . | . | trans | -78.3 | -5.4 | -172.9 | -70.3 | -176.8 | 175.6 | -171.2 | 0 | 115.5 | V181 | V181-K184 HydrophobicContact CG1-CG 3.67Š| ||
| 185 | G | 86.6 | Confident | 90 | Very high | 18 Ų | 18 | 67.7 Ų | 67.7 | 19% | 0.186 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | -138.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S170 E183 | S170-G185 CarbonylContact O-C 3.54Å; S170-G185 WeakPolarHBondContact O-CA 3.25Å; E183-G185 VanDerWaalsContact C-N 3.31Å; E183-G185 PolarHBondContact O-N 3.42Å |
| 186 | S | 87.6 | Confident | 89.9 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -2 | 177.2 | 60.6 | 0 | 0 | 0 | 0 | 115 | S170 S171 | S170-S186 VanDerWaalsContact C-OG 3.23Å; S170-S186 PolarHBondContact O-N 2.93Å; S170-S186 PolarHBondContact O-OG 2.99Å; S170-S186 VanDerWaalsContact OG-CB 3.26Å; S170-S186 WeakPolarHBondContact OG-CB 3.5Å; S170-S186 PolarHBondContact OG-OG 3.2Å; S171-S186 WeakPolarHBondContact CA-OG 3.46Å; S171-S186 PolarHBondContact N-OG 3.46Å |
| 187 | T | 85.3 | Confident | 89.7 | Confident | 21 Ų | 21 | 67.4 Ų | 67.4 | 13% | 0.129 | 36% | 0.362 | C | S | . | . | trans | -103.3 | 154.7 | -176.5 | 71.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 188 | N | 86.8 | Confident | 89.7 | Confident | 153 Ų | 153 | 65.9 Ų | 65.9 | 82% | 0.818 | 35% | 0.354 | S | S | * | . | trans | -100.5 | 9.9 | 169.5 | -69.7 | -54.7 | 0 | 0 | 0 | 112.6 | ||||
| 189 | L | 89.6 | Confident | 89.9 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | trans | -73.4 | 158.6 | 177.6 | -64 | 172.5 | 0 | 0 | 0 | 110.3 | P159 L162 | P159-L189 HydrophobicContact CB-CB 3.69Å; P159-L189 HydrophobicContact CG-CB 4.17Å; P159-L189 HydrophobicContact CG-CD1 4.33Å; L162-L189 HydrophobicContact CB-CD1 3.95Å | ||
| 190 | Q | 90.1 | Very high | 90 | Very high | 163 Ų | 163 | 59.8 Ų | 59.8 | 76% | 0.762 | 32% | 0.321 | S | S | * | . | trans | -97.3 | 166 | 178.9 | -58.2 | -158.3 | 23.9 | 0 | 0 | 111.3 | P159 E160 | P159-Q190 CarbonylContact C-O 3.36Å; P159-Q190 WeakPolarHBondContact CA-O 3.45Å; P159-Q190 WeakPolarHBondContact CB-O 3.37Å; E160-Q190 PolarHBondContact N-O 2.66Å | ||
| 191 | V | 90.7 | Very high | 90.1 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 11% | 0.109 | 30% | 0.297 | C | S | . | . | trans | -104.6 | 132.2 | 173.1 | 178 | 0 | 0 | 0 | 0 | 107.8 | V157 V173 V175 V181 T193 | V157-V191 HydrophobicContact CB-CG1 4.36Å; V157-V191 HydrophobicContact CG1-CG1 3.92Å; V173-V191 HydrophobicContact CB-CG2 3.75Å; V173-V191 HydrophobicContact CG1-CG2 3.58Å; V173-V191 HydrophobicContact CG2-CG2 4.1Å; V175-V191 HydrophobicContact CG1-CB 4.42Å; V175-V191 HydrophobicContact CG1-CG1 4.28Å; V175-V191 HydrophobicContact CG1-CG2 4.09Å; V181-V191 HydrophobicContact CG2-CG2 4.23Å; V191-T193 PolarHBondContact O-N 2.96Å | ||
| 192 | D | 89.2 | Confident | 90.1 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 20% | 0.198 | 28% | 0.278 | C | S | . | . | trans | -71.8 | 112.8 | 170.3 | -176.1 | -43.3 | 0 | 0 | 0 | 109.4 | D194 K195 F196 | D192-D194 VanDerWaalsContact C-N 3.31Å; D192-D194 WeakPolarHBondContact OD1-CA 3.36Å; D192-D194 WeakPolarHBondContact OD1-CB 3.43Å; D192-D194 PolarHBondContact OD1-N 3.46Å; D192-K195 HydrophobicContact CB-CB 4.13Å; D192-K195 HydrophobicContact CB-CD 3.97Å; D192-K195 HydrophobicContact CB-CG 4.18Å; D192-K195 VanDerWaalsContact CG-CG 3.48Å; D192-K195 WeakPolarHBondContact OD1-CB 3.49Å; D192-K195 PolarHBondContact OD1-N 3.42Å; D192-K195 WeakPolarHBondContact OD2-CD 3.49Å; D192-K195 WeakPolarHBondContact OD2-CE 3.26Å; D192-K195 WeakPolarHBondContact OD2-CG 3.38Å; D192-K195 IonicContact OD2-NZ 3.58Å; D192-K195 PolarHBondContact OD2-NZ 3.16Å; D192-F196 WeakPolarHBondContact O-CB 3.34Å; D192-F196 PolarHBondContact O-N 2.87Å | ||
| 193 | T | 89.4 | Confident | 90.2 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 42% | 0.423 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.8 | -29.2 | 179.5 | 42.4 | 0 | 0 | 0 | 0 | 113.1 | V191 F196 S197 | V191-T193 PolarHBondContact O-N 2.96Å; T193-F196 CarbonylContact O-C 3.52Å; T193-F196 PolarHBondContact O-N 2.86Å; T193-S197 PolarHBondContact O-N 3.35Å |
| 194 | D | 87.1 | Confident | 90.4 | Very high | 122 Ų | 122 | 48.7 Ų | 48.7 | 65% | 0.652 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -86.7 | -43.7 | -165.5 | -54 | -4.3 | 0 | 0 | 0 | 108.6 | D192 F196 S197 | D192-D194 VanDerWaalsContact C-N 3.31Å; D192-D194 WeakPolarHBondContact OD1-CA 3.36Å; D192-D194 WeakPolarHBondContact OD1-CB 3.43Å; D192-D194 PolarHBondContact OD1-N 3.46Å; D194-F196 PolarHBondContact O-N 3.43Å; D194-S197 WeakPolarHBondContact O-CB 3.1Å; D194-S197 PolarHBondContact O-N 3.25Å |
| 195 | K | 87.1 | Confident | 90.7 | Very high | 62 Ų | 62 | 43.7 Ų | 43.7 | 27% | 0.27 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -54.8 | -40.5 | 162.5 | -68.6 | -179.9 | -177.2 | 92.8 | 0 | 111 | L143 E160 D192 | L143-K195 HydrophobicContact CD2-CB 4.42Å; L143-K195 WeakPolarHBondContact CD2-O 3.23Å; E160-K195 IonicContact OE1-NZ 2.62Å; E160-K195 PolarHBondContact OE1-NZ 2.94Å; D192-K195 HydrophobicContact CB-CB 4.13Å; D192-K195 HydrophobicContact CB-CD 3.97Å; D192-K195 HydrophobicContact CB-CG 4.18Å; D192-K195 VanDerWaalsContact CG-CG 3.48Å; D192-K195 WeakPolarHBondContact OD1-CB 3.49Å; D192-K195 PolarHBondContact OD1-N 3.42Å; D192-K195 WeakPolarHBondContact OD2-CD 3.49Å; D192-K195 WeakPolarHBondContact OD2-CE 3.26Å; D192-K195 WeakPolarHBondContact OD2-CG 3.38Å; D192-K195 IonicContact OD2-NZ 3.58Å; D192-K195 PolarHBondContact OD2-NZ 3.16Å |
| 196 | F | 92.1 | Very high | 91 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.8 | -24.9 | 178.4 | -175.4 | -108.2 | 0 | 0 | 0 | 113.9 | T145 F155 V157 V175 D192 T193 D194 L198 H199 S200 | T145-F196 HydrophobicContact CG2-CD2 4.13Å; T145-F196 HydrophobicContact CG2-CE2 4.09Å; F155-F196 HydrophobicContact CB-CE2 4.27Å; F155-F196 HydrophobicContact CB-CZ 4.12Å; F155-F196 AromaticContact CD2-CZ 3.86Å; F155-F196 HydrophobicContact CD2-CZ 3.86Å; F155-F196 HydrophobicContact CG-CZ 4.06Å; V157-F196 HydrophobicContact CG2-CD2 3.82Å; V157-F196 HydrophobicContact CG2-CE2 3.74Å; V175-F196 HydrophobicContact CG2-CD1 4.48Å; V175-F196 HydrophobicContact CG2-CE1 3.93Å; V175-F196 HydrophobicContact CG2-CE2 4.13Å; V175-F196 HydrophobicContact CG2-CZ 3.74Å; D192-F196 WeakPolarHBondContact O-CB 3.34Å; D192-F196 PolarHBondContact O-N 2.87Å; T193-F196 CarbonylContact O-C 3.52Å; T193-F196 PolarHBondContact O-N 2.86Å; D194-F196 PolarHBondContact O-N 3.43Å; F196-L198 VanDerWaalsContact C-N 3.32Å; F196-L198 PolarHBondContact O-N 2.59Å; F196-H199 HydrophobicContact CD2-CB 4.14Å; F196-H199 HydrophobicContact CE2-CB 4.26Å; F196-H199 CarbonylContact O-C 3.59Å; F196-H199 WeakPolarHBondContact O-CA 3.27Å; F196-H199 WeakPolarHBondContact O-CB 3.33Å; F196-H199 PolarHBondContact O-N 3.44Å; F196-S200 PolarHBondContact O-N 2.98Å |
| 197 | S | 92 | Very high | 91.2 | Very high | 28 Ų | 28 | 44 Ų | 44 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.7 | -41.2 | -175.4 | -172 | 0 | 0 | 0 | 0 | 113.2 | T193 D194 H199 S200 A201 V252 | T193-S197 PolarHBondContact O-N 3.35Å; D194-S197 WeakPolarHBondContact O-CB 3.1Å; D194-S197 PolarHBondContact O-N 3.25Å; S197-H199 PolarHBondContact O-N 3.42Å; S197-S200 WeakPolarHBondContact O-CB 3.31Å; S197-S200 PolarHBondContact O-N 2.92Å; S197-A201 WeakPolarHBondContact O-CB 3.47Å; S197-A201 PolarHBondContact O-N 3.4Å; S197-V252 PolarHBondContact OG-O 3.3Å |
| 198 | L | 92.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 172.5 | 169 | 65.5 | 0 | 0 | 0 | 112 | F196 A201 I202 Y248 V252 L261 L274 | F196-L198 VanDerWaalsContact C-N 3.32Å; F196-L198 PolarHBondContact O-N 2.59Å; L198-A201 PolarHBondContact O-N 2.95Å; L198-I202 HydrophobicContact CD1-CD1 3.97Å; L198-I202 HydrophobicContact CD1-CG1 4.42Å; L198-I202 HydrophobicContact CG-CD1 4.22Å; L198-I202 WeakPolarHBondContact O-CG1 3.41Å; L198-I202 PolarHBondContact O-N 3.37Å; L198-Y248 HydrophobicContact CD1-CE2 4.1Å; L198-Y248 HydrophobicContact CD2-CE2 4.12Å; L198-V252 HydrophobicContact CB-CG2 4.45Å; L198-V252 HydrophobicContact CD1-CG2 4Å; L198-L261 HydrophobicContact CD1-CD2 4.42Å; L198-L274 HydrophobicContact CD1-CD1 4.49Å; L198-L274 HydrophobicContact CD2-CD1 3.66Å |
| 199 | H | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.2 | -39.4 | 179.3 | -80.2 | -137 | 0 | 0 | 0 | 111.4 | L143 T145 F196 S197 I202 Y203 L212 | L143-H199 HydrophobicContact CD2-CB 4.38Å; L143-H199 PolarHBondContact O-CE1 3.25Å; L143-H199 VanDerWaalsContact O-CE1 3.25Å; T145-H199 HydrophobicContact CG2-CB 4.43Å; T145-H199 WeakPolarHBondContact CG2-ND1 3.14Å; T145-H199 PolarHBondContact OG1-ND1 2.85Å; F196-H199 HydrophobicContact CD2-CB 4.14Å; F196-H199 HydrophobicContact CE2-CB 4.26Å; F196-H199 CarbonylContact O-C 3.59Å; F196-H199 WeakPolarHBondContact O-CA 3.27Å; F196-H199 WeakPolarHBondContact O-CB 3.33Å; F196-H199 PolarHBondContact O-N 3.44Å; S197-H199 PolarHBondContact O-N 3.42Å; H199-I202 PolarHBondContact O-N 3.38Å; H199-Y203 HydrophobicContact CB-CE2 4.47Å; H199-Y203 WeakPolarHBondContact O-CB 3.45Å; H199-Y203 WeakPolarHBondContact O-CD2 3.44Å; H199-Y203 PolarHBondContact O-N 3.35Å; H199-L212 HydrophobicContact CB-CD1 3.84Å; H199-L212 WeakPolarHBondContact ND1-CB 3.3Å |
| 200 | S | 94.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.9 | -52.4 | 170.1 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | L177 F196 S197 I202 Y203 S204 R258 | L177-S200 VanDerWaalsContact O-CB 3.3Å; L177-S200 WeakPolarHBondContact O-CB 3.05Å; L177-S200 PolarHBondContact O-OG 3.36Å; F196-S200 PolarHBondContact O-N 2.98Å; S197-S200 WeakPolarHBondContact O-CB 3.31Å; S197-S200 PolarHBondContact O-N 2.92Å; S200-I202 PolarHBondContact O-N 2.95Å; S200-Y203 PolarHBondContact O-N 3.5Å; S200-Y203 VanDerWaalsContact O-N 3.11Å; S200-S204 PolarHBondContact O-N 3.24Å; S200-S204 PolarHBondContact O-OG 2.76Å; S200-S204 VanDerWaalsContact O-OG 3.11Å; S200-R258 PolarHBondContact OG-NH2 2.83Å |
| 201 | A | 93.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S197 L198 S204 A205 V252 R258 L261 | S197-A201 WeakPolarHBondContact O-CB 3.47Å; S197-A201 PolarHBondContact O-N 3.4Å; L198-A201 PolarHBondContact O-N 2.95Å; A201-S204 PolarHBondContact O-N 2.91Å; A201-A205 WeakPolarHBondContact O-CB 3.47Å; A201-A205 PolarHBondContact O-N 2.96Å; A201-V252 HydrophobicContact CB-CG1 3.89Å; A201-R258 HydrophobicContact CB-CG 4.09Å; A201-L261 HydrophobicContact CB-CD2 3.74Å |
| 202 | I | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 175 | -65.8 | 169.7 | 0 | 0 | 0 | 111.2 | L198 H199 S200 A205 R206 L212 L261 L265 L272 V280 L282 | L198-I202 HydrophobicContact CD1-CD1 3.97Å; L198-I202 HydrophobicContact CD1-CG1 4.42Å; L198-I202 HydrophobicContact CG-CD1 4.22Å; L198-I202 WeakPolarHBondContact O-CG1 3.41Å; L198-I202 PolarHBondContact O-N 3.37Å; H199-I202 PolarHBondContact O-N 3.38Å; S200-I202 PolarHBondContact O-N 2.95Å; I202-A205 PolarHBondContact O-N 2.75Å; I202-R206 WeakPolarHBondContact O-CB 3.49Å; I202-R206 PolarHBondContact O-N 3.28Å; I202-L212 HydrophobicContact CB-CD1 3.96Å; I202-L212 HydrophobicContact CG2-CD1 3.87Å; I202-L212 HydrophobicContact CG2-CD2 3.61Å; I202-L212 HydrophobicContact CG2-CG 4.41Å; I202-L261 HydrophobicContact CG1-CD2 4.09Å; I202-L265 HydrophobicContact CG2-CD2 4.07Å; I202-L272 HydrophobicContact CD1-CD2 4.13Å; I202-V280 HydrophobicContact CD1-CG1 4.22Å; I202-L282 HydrophobicContact CG2-CD2 3.47Å; I202-L282 VanDerWaalsContact CG2-CD2 3.47Å; I202-L282 HydrophobicContact CG2-CG 4.4Å |
| 203 | Y | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.1 | -34.7 | 178.2 | -77.7 | -52.1 | 0 | 0 | 0 | 113.3 | T145 L146 R147 F155 H199 S200 R206 V209 R210 L212 | T145-Y203 PolarHBondContact O-OH 3Å; T145-Y203 VanDerWaalsContact OG1-CE2 3.26Å; T145-Y203 WeakPolarHBondContact OG1-CE2 3.27Å; T145-Y203 PolarHBondContact OG1-OH 3.15Å; L146-Y203 PolarHBondContact N-OH 2.97Å; R147-Y203 HydrophobicContact CB-CE1 4.29Å; R147-Y203 PolarHBondContact NH1-O 3.4Å; R147-Y203 PolarHBondContact NH2-O 2.93Å; F155-Y203 HydrophobicContact CD1-CD1 4.37Å; F155-Y203 AromaticContact CD1-CD2 3.48Å; F155-Y203 HydrophobicContact CD1-CD2 3.48Å; F155-Y203 VanDerWaalsContact CD1-CD2 3.48Å; F155-Y203 HydrophobicContact CD1-CE1 4.18Å; F155-Y203 AromaticContact CD1-CE2 3.25Å; F155-Y203 HydrophobicContact CD1-CE2 3.25Å; F155-Y203 HydrophobicContact CD1-CG 4.04Å; F155-Y203 AromaticContact CD1-CZ 3.63Å; F155-Y203 AromaticContact CE1-CD1 3.64Å; F155-Y203 HydrophobicContact CE1-CD1 3.64Å; F155-Y203 AromaticContact CE1-CD2 3.17Å; F155-Y203 HydrophobicContact CE1-CD2 3.17Å; F155-Y203 AromaticContact CE1-CE1 3.87Å; F155-Y203 HydrophobicContact CE1-CE1 3.87Å; F155-Y203 AromaticContact CE1-CE2 3.44Å; F155-Y203 HydrophobicContact CE1-CE2 3.44Å; F155-Y203 VanDerWaalsContact CE1-CE2 3.44Å; F155-Y203 AromaticContact CE1-CG 3.28Å; F155-Y203 HydrophobicContact CE1-CG 3.28Å; F155-Y203 AromaticContact CE1-CZ 3.76Å; F155-Y203 HydrophobicContact CG-CD2 4.27Å; F155-Y203 HydrophobicContact CG-CE2 4.11Å; F155-Y203 HydrophobicContact CZ-CD1 4.45Å; F155-Y203 AromaticContact CZ-CD2 3.77Å; F155-Y203 HydrophobicContact CZ-CD2 3.77Å; F155-Y203 HydrophobicContact CZ-CE2 4.41Å; F155-Y203 AromaticContact CZ-CG 3.78Å; F155-Y203 HydrophobicContact CZ-CG 3.78Å; H199-Y203 HydrophobicContact CB-CE2 4.47Å; H199-Y203 WeakPolarHBondContact O-CB 3.45Å; H199-Y203 WeakPolarHBondContact O-CD2 3.44Å; H199-Y203 PolarHBondContact O-N 3.35Å; S200-Y203 PolarHBondContact O-N 3.5Å; S200-Y203 VanDerWaalsContact O-N 3.11Å; Y203-R206 CarbonylContact O-C 3.59Å; Y203-V209 HydrophobicContact CE1-CG1 4.3Å; Y203-R210 WeakPolarHBondContact CE1-O 3.2Å; Y203-R210 PolarHBondContact OH-O 2.7Å; Y203-L212 HydrophobicContact CD1-CD1 4.08Å; Y203-L212 HydrophobicContact CD1-CG 4.36Å; Y203-L212 HydrophobicContact CD2-CD1 3.82Å; Y203-L212 HydrophobicContact CE1-CD1 3.91Å; Y203-L212 HydrophobicContact CE1-CG 3.81Å; Y203-L212 HydrophobicContact CE2-CD1 3.63Å; Y203-L212 HydrophobicContact CE2-CG 4.17Å; Y203-L212 HydrophobicContact CG-CD1 4.06Å |
| 204 | S | 92.8 | Very high | 93.4 | Very high | 54 Ų | 54 | 24.9 Ų | 24.9 | 38% | 0.378 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 170.1 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | S200 A201 R206 | S200-S204 PolarHBondContact O-N 3.24Å; S200-S204 PolarHBondContact O-OG 2.76Å; S200-S204 VanDerWaalsContact O-OG 3.11Å; A201-S204 PolarHBondContact O-N 2.91Å; S204-R206 VanDerWaalsContact C-N 3.3Å; S204-R206 PolarHBondContact O-N 3.35Å |
| 205 | A | 93.1 | Very high | 93.7 | Very high | 17 Ų | 17 | 19.1 Ų | 19.1 | 14% | 0.14 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.9 | -29.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | A201 I202 Q262 | A201-A205 WeakPolarHBondContact O-CB 3.47Å; A201-A205 PolarHBondContact O-N 2.96Å; I202-A205 PolarHBondContact O-N 2.75Å; A205-Q262 HydrophobicContact CB-CB 3.94Å; A205-Q262 HydrophobicContact CB-CG 3.94Å |
| 206 | R | 93 | Very high | 93.9 | Very high | 13 Ų | 13 | 17.9 Ų | 17.9 | 5% | 0.049 | 10% | 0.103 | C | C | . | . | trans | -131.8 | 84.5 | -175.1 | -66.3 | -66.5 | -67.7 | -81.1 | -15 | 112.9 | R147 I202 Y203 S204 D208 V209 L265 G266 C269 | R147-R206 PolarHBondContact NH1-O 3.35Å; I202-R206 WeakPolarHBondContact O-CB 3.49Å; I202-R206 PolarHBondContact O-N 3.28Å; Y203-R206 CarbonylContact O-C 3.59Å; S204-R206 VanDerWaalsContact C-N 3.3Å; S204-R206 PolarHBondContact O-N 3.35Å; R206-D208 WeakPolarHBondContact CA-OD1 3.39Å; R206-D208 WeakPolarHBondContact CB-OD1 3.41Å; R206-D208 IonicContact CZ-OD1 3.31Å; R206-D208 IonicContact CZ-OD2 3.7Å; R206-D208 IonicContact NE-OD1 2.74Å; R206-D208 PolarHBondContact NE-OD1 2.91Å; R206-D208 IonicContact NE-OD2 2.77Å; R206-D208 PolarHBondContact NE-OD2 3.46Å; R206-D208 IonicContact NH2-OD1 2.95Å; R206-D208 IonicContact NH2-OD2 3.34Å; R206-D208 PolarHBondContact NH2-OD2 3.17Å; R206-D208 PolarHBondContact O-N 3.39Å; R206-V209 HydrophobicContact CB-CB 4.06Å; R206-V209 HydrophobicContact CB-CG2 3.74Å; R206-V209 HydrophobicContact CG-CG2 4.42Å; R206-V209 PolarHBondContact O-N 3.24Å; R206-L265 HydrophobicContact CG-CD2 3.69Å; R206-L265 HydrophobicContact CG-CG 4.41Å; R206-G266 WeakPolarHBondContact CD-O 3.48Å; R206-G266 PolarHBondContact NH1-O 2.95Å; R206-C269 PolarHBondContact NH1-O 2.76Å | ||
| 207 | P | 92.8 | Very high | 93.9 | Very high | 82 Ų | 82 | 18.2 Ų | 18.2 | 53% | 0.532 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -66.4 | -16.3 | 173.4 | -23.2 | 35.5 | 0 | 0 | 0 | 114.6 | K150 | K150-P207 PolarHBondContact NZ-O 3.01Š|
| 208 | D | 92.4 | Very high | 93.9 | Very high | 62 Ų | 62 | 22.4 Ų | 22.4 | 33% | 0.332 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -69 | -43.7 | 172.4 | 59.4 | -55.6 | 0 | 0 | 0 | 111.6 | K150 R206 | K150-D208 PolarHBondContact NZ-O 2.93Å; R206-D208 WeakPolarHBondContact CA-OD1 3.39Å; R206-D208 WeakPolarHBondContact CB-OD1 3.41Å; R206-D208 IonicContact CZ-OD1 3.31Å; R206-D208 IonicContact CZ-OD2 3.7Å; R206-D208 IonicContact NE-OD1 2.74Å; R206-D208 PolarHBondContact NE-OD1 2.91Å; R206-D208 IonicContact NE-OD2 2.77Å; R206-D208 PolarHBondContact NE-OD2 3.46Å; R206-D208 IonicContact NH2-OD1 2.95Å; R206-D208 IonicContact NH2-OD2 3.34Å; R206-D208 PolarHBondContact NH2-OD2 3.17Å; R206-D208 PolarHBondContact O-N 3.39Å |
| 209 | V | 95.1 | Very high | 94 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | trans | -65 | 143.9 | -176.6 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | R147 Y203 R206 C211 L212 L282 | R147-V209 PolarHBondContact NH1-O 2.89Å; Y203-V209 HydrophobicContact CE1-CG1 4.3Å; R206-V209 HydrophobicContact CB-CB 4.06Å; R206-V209 HydrophobicContact CB-CG2 3.74Å; R206-V209 HydrophobicContact CG-CG2 4.42Å; R206-V209 PolarHBondContact O-N 3.24Å; V209-C211 WeakPolarHBondContact CG1-O 3.42Å; V209-L212 HydrophobicContact CG1-CD2 3.72Å; V209-L212 HydrophobicContact CG1-CG 4.37Å; V209-L282 HydrophobicContact CG1-CB 4.03Å; V209-L282 HydrophobicContact CG1-CD2 4.44Å; V209-L282 HydrophobicContact CG2-CB 4.03Å; V209-L282 HydrophobicContact CG2-CD2 4.09Å | ||
| 210 | R | 95.1 | Very high | 94 | Very high | 58 Ų | 58 | 22.9 Ų | 22.9 | 22% | 0.219 | 14% | 0.136 | C | C | . | . | trans | -121.8 | -42.7 | -178 | -159.9 | -176.2 | -176.4 | 109.6 | 21.9 | 112.7 | M120 L146 R147 V148 Y203 G283 E284 | M120-R210 VanDerWaalsContact CE-NH2 3.29Å; M120-R210 PolarHBondContact SD-NH2 3.46Å; L146-R210 HydrophobicContact CD1-CG 4.14Å; R147-R210 HydrophobicContact CB-CG 4.02Å; R147-R210 WeakPolarHBondContact CB-O 3.37Å; R147-R210 PolarHBondContact N-O 2.85Å; R147-R210 WeakPolarHBondContact O-CG 3.35Å; R147-R210 VanDerWaalsContact O-CZ 3.26Å; R147-R210 PolarHBondContact O-NE 3.37Å; R147-R210 PolarHBondContact O-NH2 3.39Å; V148-R210 PolarHBondContact O-NH2 2.87Å; Y203-R210 WeakPolarHBondContact CE1-O 3.2Å; Y203-R210 PolarHBondContact OH-O 2.7Å; R210-G283 PolarHBondContact N-O 3.42Å; R210-E284 WeakPolarHBondContact CB-O 3.37Å | ||
| 211 | C | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.8 | 179.2 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | T145 L146 V209 G283 M286 A289 | T145-C211 WeakPolarHBondContact O-CA 3.36Å; L146-C211 HydrophobicContact CD1-CB 3.9Å; V209-C211 WeakPolarHBondContact CG1-O 3.42Å; C211-G283 PolarHBondContact N-O 3.39Å; C211-G283 PolarHBondContact O-N 3Å; C211-M286 HydrophobicContact CB-SD 4.34Å; C211-M286 PolarHBondContact SG-SD 2.98Å; C211-A289 HydrophobicContact CB-CB 3.79Å |
| 212 | L | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.5 | 169.3 | -60.9 | 176.5 | 0 | 0 | 0 | 108.5 | L144 T145 H199 I202 Y203 V209 V280 A281 L282 | L144-L212 WeakPolarHBondContact CA-O 2.96Å; T145-L212 PolarHBondContact N-O 2.97Å; T145-L212 PolarHBondContact O-N 3.25Å; T145-L212 VanDerWaalsContact O-N 3.11Å; H199-L212 HydrophobicContact CB-CD1 3.84Å; H199-L212 WeakPolarHBondContact ND1-CB 3.3Å; I202-L212 HydrophobicContact CB-CD1 3.96Å; I202-L212 HydrophobicContact CG2-CD1 3.87Å; I202-L212 HydrophobicContact CG2-CD2 3.61Å; I202-L212 HydrophobicContact CG2-CG 4.41Å; Y203-L212 HydrophobicContact CD1-CD1 4.08Å; Y203-L212 HydrophobicContact CD1-CG 4.36Å; Y203-L212 HydrophobicContact CD2-CD1 3.82Å; Y203-L212 HydrophobicContact CE1-CD1 3.91Å; Y203-L212 HydrophobicContact CE1-CG 3.81Å; Y203-L212 HydrophobicContact CE2-CD1 3.63Å; Y203-L212 HydrophobicContact CE2-CG 4.17Å; Y203-L212 HydrophobicContact CG-CD1 4.06Å; V209-L212 HydrophobicContact CG1-CD2 3.72Å; V209-L212 HydrophobicContact CG1-CG 4.37Å; L212-V280 HydrophobicContact CB-CG1 4.4Å; L212-V280 HydrophobicContact CD2-CG1 4.29Å; L212-A281 WeakPolarHBondContact CA-O 3.23Å; L212-L282 HydrophobicContact CD2-CB 4.11Å; L212-L282 HydrophobicContact CD2-CD2 3.89Å; L212-L282 HydrophobicContact CD2-CG 3.6Å |
| 213 | L | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 112.4 | 176 | -53.9 | 178.5 | 0 | 0 | 0 | 109 | T127 F131 L144 V280 A281 M286 A289 F290 I293 | T127-L213 HydrophobicContact CG2-CD2 4.34Å; F131-L213 HydrophobicContact CZ-CB 4.26Å; F131-L213 HydrophobicContact CZ-CD1 4.39Å; L144-L213 HydrophobicContact CB-CD2 3.82Å; L144-L213 HydrophobicContact CD1-CD2 4.22Å; L144-L213 HydrophobicContact CD2-CB 4.08Å; L144-L213 HydrophobicContact CD2-CD2 3.77Å; L144-L213 HydrophobicContact CG-CD2 4.12Å; L213-V280 WeakPolarHBondContact O-CA 3.46Å; L213-A281 PolarHBondContact N-O 3.29Å; L213-A281 PolarHBondContact O-N 3.22Å; L213-M286 HydrophobicContact CD2-CE 3.71Å; L213-A289 HydrophobicContact CD1-CB 3.92Å; L213-A289 HydrophobicContact CG-CB 4.05Å; L213-F290 HydrophobicContact CD1-CB 4.18Å; L213-F290 HydrophobicContact CD1-CD2 4.41Å; L213-I293 HydrophobicContact CB-CB 4.49Å; L213-I293 HydrophobicContact CB-CG2 4.41Å; L213-I293 HydrophobicContact CD1-CB 4.48Å; L213-I293 HydrophobicContact CD1-CG2 3.77Å |
| 214 | H | 94.6 | Very high | 94 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129 | 179.6 | -165.6 | 173.3 | 0 | 0 | 0 | 110.4 | T142 L143 H216 H277 V280 | T142-H214 VanDerWaalsContact CB-O 3.26Å; T142-H214 WeakPolarHBondContact CB-O 3.27Å; T142-H214 WeakPolarHBondContact CG2-O 3.39Å; L143-H214 HydrophobicContact CB-CB 4.47Å; L143-H214 WeakPolarHBondContact O-CB 3.41Å; L143-H214 PolarHBondContact O-N 2.99Å; H214-H216 AromaticContact CD2-CD2 3.78Å; H214-H216 AromaticContact CD2-NE2 3.53Å; H214-H216 AromaticContact CE1-NE2 3.31Å; H214-H216 PolarHBondContact CE1-NE2 3.36Å; H214-H216 VanDerWaalsContact CE1-NE2 3.31Å; H214-H216 AromaticContact ND1-NE2 3.91Å; H214-H216 AromaticContact NE2-CD2 3.56Å; H214-H216 AromaticContact NE2-NE2 3.03Å; H214-H216 PolarHBondContact NE2-NE2 2.89Å; H214-H277 AromaticContact CE1-CD2 3.52Å; H214-H277 AromaticContact CE1-NE2 3.27Å; H214-H277 PolarHBondContact CE1-NE2 3.22Å; H214-H277 VanDerWaalsContact CE1-NE2 3.27Å; H214-H277 AromaticContact NE2-CD2 3.4Å; H214-H277 PolarHBondContact NE2-CD2 3.39Å; H214-H277 AromaticContact NE2-NE2 3.57Å; H214-V280 HydrophobicContact CB-CG2 4.09Å |
| 215 | L | 92.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.7 | -174.2 | -158.1 | 88.8 | 0 | 0 | 0 | 112.7 | F131 W136 T217 T220 I279 I293 Q297 | F131-L215 HydrophobicContact CD1-CD1 3.97Å; F131-L215 HydrophobicContact CE1-CD1 3.37Å; F131-L215 HydrophobicContact CZ-CD1 3.96Å; W136-L215 HydrophobicContact CB-CD1 3.89Å; W136-L215 HydrophobicContact CD2-CD1 4.03Å; W136-L215 HydrophobicContact CE3-CD1 3.69Å; W136-L215 HydrophobicContact CG-CD1 4.14Å; L215-T217 HydrophobicContact CD1-CG2 4.34Å; L215-T217 HydrophobicContact CD2-CG2 3.74Å; L215-T217 HydrophobicContact CG-CG2 3.91Å; L215-T220 HydrophobicContact CD2-CG2 3.69Å; L215-T220 PolarHBondContact O-OG1 3.5Å; L215-T220 VanDerWaalsContact O-OG1 3.09Å; L215-I279 PolarHBondContact N-O 3.43Å; L215-I279 PolarHBondContact O-N 3.23Å; L215-I293 HydrophobicContact CB-CD1 3.83Å; L215-I293 HydrophobicContact CB-CG1 3.98Å; L215-I293 HydrophobicContact CD1-CG1 4.3Å; L215-I293 HydrophobicContact CD2-CG1 4.3Å; L215-I293 HydrophobicContact CG-CG1 4.43Å; L215-Q297 HydrophobicContact CD2-CB 4.07Å; L215-Q297 HydrophobicContact CD2-CG 4.46Å; L215-Q297 VanDerWaalsContact CD2-OE1 3.28Å |
| 216 | H | 90.9 | Very high | 94.1 | Very high | 37 Ų | 37 | 26.9 Ų | 26.9 | 17% | 0.171 | 17% | 0.166 | C | C | . | . | trans | -116 | 38.2 | 178.9 | -58.4 | 159.3 | 0 | 0 | 0 | 112.5 | H141 T142 H214 H277 | H141-H216 PolarHBondContact O-CE1 3.2Å; H141-H216 VanDerWaalsContact O-CE1 3.31Å; T142-H216 HydrophobicContact CG2-CB 4.13Å; H214-H216 AromaticContact CD2-CD2 3.78Å; H214-H216 AromaticContact CD2-NE2 3.53Å; H214-H216 AromaticContact CE1-NE2 3.31Å; H214-H216 PolarHBondContact CE1-NE2 3.36Å; H214-H216 VanDerWaalsContact CE1-NE2 3.31Å; H214-H216 AromaticContact ND1-NE2 3.91Å; H214-H216 AromaticContact NE2-CD2 3.56Å; H214-H216 AromaticContact NE2-NE2 3.03Å; H214-H216 PolarHBondContact NE2-NE2 2.89Å; H216-H277 AromaticContact CE1-CE1 3.84Å; H216-H277 AromaticContact CE1-NE2 3.54Å; H216-H277 AromaticContact NE2-CD2 3.47Å; H216-H277 PolarHBondContact NE2-CD2 3.31Å; H216-H277 AromaticContact NE2-CE1 3.64Å; H216-H277 AromaticContact NE2-NE2 3.01Å; H216-H277 PolarHBondContact NE2-NE2 2.86Å | ||
| 217 | T | 92.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | trans | -67.9 | 155.6 | 175.4 | 63 | 0 | 0 | 0 | 0 | 110 | W136 L215 A219 T220 A221 Q297 | W136-T217 HydrophobicContact CB-CG2 4.04Å; W136-T217 HydrophobicContact CG-CG2 4Å; L215-T217 HydrophobicContact CD1-CG2 4.34Å; L215-T217 HydrophobicContact CD2-CG2 3.74Å; L215-T217 HydrophobicContact CG-CG2 3.91Å; T217-A219 PolarHBondContact O-N 3.29Å; T217-A219 VanDerWaalsContact O-N 3.07Å; T217-T220 PolarHBondContact N-OG1 3.18Å; T217-T220 PolarHBondContact O-N 2.96Å; T217-T220 VanDerWaalsContact O-N 3.1Å; T217-T220 PolarHBondContact O-OG1 3.39Å; T217-T220 PolarHBondContact OG1-N 2.99Å; T217-T220 PolarHBondContact OG1-OG1 3.31Å; T217-T220 VanDerWaalsContact OG1-OG1 3.12Å; T217-A221 WeakPolarHBondContact O-CB 3.38Å; T217-A221 PolarHBondContact O-N 3.4Å; T217-Q297 PolarHBondContact OG1-OE1 2.82Å | ||
| 218 | P | 92.1 | Very high | 94 | Very high | 116 Ų | 116 | 34 Ų | 34 | 75% | 0.753 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -53.7 | -32.8 | 176.7 | -29 | 36.1 | 0 | 0 | 0 | 113.5 | A222 | P218-A222 WeakPolarHBondContact O-CB 3.47Å; P218-A222 PolarHBondContact O-N 3.32Å |
| 219 | A | 94.1 | Very high | 94 | Very high | 13 Ų | 13 | 31 Ų | 31 | 11% | 0.107 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.8 | -45.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | T217 A222 V223 C300 Q301 | T217-A219 PolarHBondContact O-N 3.29Å; T217-A219 VanDerWaalsContact O-N 3.07Å; A219-A222 PolarHBondContact O-N 2.95Å; A219-V223 WeakPolarHBondContact O-CG2 3.34Å; A219-V223 PolarHBondContact O-N 2.9Å; A219-C300 HydrophobicContact CB-CB 4.08Å; A219-Q301 HydrophobicContact CB-CG 3.72Å |
| 220 | T | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.8 | -37.5 | 178.3 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | L215 T217 V223 S224 I279 I296 C300 | L215-T220 HydrophobicContact CD2-CG2 3.69Å; L215-T220 PolarHBondContact O-OG1 3.5Å; L215-T220 VanDerWaalsContact O-OG1 3.09Å; T217-T220 PolarHBondContact N-OG1 3.18Å; T217-T220 PolarHBondContact O-N 2.96Å; T217-T220 VanDerWaalsContact O-N 3.1Å; T217-T220 PolarHBondContact O-OG1 3.39Å; T217-T220 PolarHBondContact OG1-N 2.99Å; T217-T220 PolarHBondContact OG1-OG1 3.31Å; T217-T220 VanDerWaalsContact OG1-OG1 3.12Å; T220-V223 PolarHBondContact O-N 3.45Å; T220-S224 WeakPolarHBondContact O-CB 3.41Å; T220-S224 PolarHBondContact O-N 3.16Å; T220-I279 HydrophobicContact CG2-CD1 3.87Å; T220-I279 HydrophobicContact CG2-CG1 4.35Å; T220-I296 HydrophobicContact CG2-CG2 4.05Å; T220-C300 HydrophobicContact CG2-CB 4.13Å |
| 221 | A | 93.3 | Very high | 93.9 | Very high | 33 Ų | 33 | 29.6 Ų | 29.6 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.5 | -47.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T217 S224 A225 | T217-A221 WeakPolarHBondContact O-CB 3.38Å; T217-A221 PolarHBondContact O-N 3.4Å; A221-S224 PolarHBondContact O-N 3.25Å; A221-S224 PolarHBondContact O-OG 3.12Å; A221-A225 PolarHBondContact O-N 3.26Å |
| 222 | A | 94.4 | Very high | 93.7 | Very high | 38 Ų | 38 | 30.9 Ų | 30.9 | 31% | 0.314 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.4 | -49.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P218 A219 S224 A225 M226 V304 | P218-A222 WeakPolarHBondContact O-CB 3.47Å; P218-A222 PolarHBondContact O-N 3.32Å; A219-A222 PolarHBondContact O-N 2.95Å; A222-S224 VanDerWaalsContact C-N 3.29Å; A222-S224 PolarHBondContact O-N 3.36Å; A222-A225 PolarHBondContact O-N 3.04Å; A222-A225 VanDerWaalsContact O-N 3.15Å; A222-M226 WeakPolarHBondContact O-CG 3.47Å; A222-M226 PolarHBondContact O-N 2.95Å; A222-V304 HydrophobicContact CB-CG2 4.06Å |
| 223 | V | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.1 | -33.1 | 177.9 | 174.1 | 0 | 0 | 0 | 0 | 112 | A219 T220 A225 M226 L230 C300 Q303 V304 | A219-V223 WeakPolarHBondContact O-CG2 3.34Å; A219-V223 PolarHBondContact O-N 2.9Å; T220-V223 PolarHBondContact O-N 3.45Å; V223-A225 VanDerWaalsContact C-N 3.26Å; V223-A225 PolarHBondContact O-N 3.04Å; V223-M226 HydrophobicContact CG2-SD 4.18Å; V223-M226 PolarHBondContact O-N 3.47Å; V223-L230 HydrophobicContact CG1-CB 4.26Å; V223-L230 HydrophobicContact CG1-CD1 4.27Å; V223-C300 HydrophobicContact CB-CB 4.37Å; V223-C300 HydrophobicContact CG2-CB 3.84Å; V223-Q303 HydrophobicContact CG2-CB 4.43Å; V223-Q303 HydrophobicContact CG2-CG 4.24Å; V223-V304 HydrophobicContact CG2-CG2 3.98Å |
| 224 | S | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -31.5 | 175.2 | 82.6 | 0 | 0 | 0 | 0 | 113.3 | T220 A221 A222 L274 R275 N276 H277 | T220-S224 WeakPolarHBondContact O-CB 3.41Å; T220-S224 PolarHBondContact O-N 3.16Å; A221-S224 PolarHBondContact O-N 3.25Å; A221-S224 PolarHBondContact O-OG 3.12Å; A222-S224 VanDerWaalsContact C-N 3.29Å; A222-S224 PolarHBondContact O-N 3.36Å; S224-L274 WeakPolarHBondContact CB-O 3.25Å; S224-R275 VanDerWaalsContact O-CD 3.25Å; S224-R275 WeakPolarHBondContact O-CD 3.27Å; S224-R275 PolarHBondContact O-NH1 2.95Å; S224-N276 PolarHBondContact O-N 2.65Å; S224-N276 PolarHBondContact OG-N 3.02Å; S224-H277 PolarHBondContact OG-N 3.35Å |
| 225 | A | 94.8 | Very high | 93 | Very high | 50 Ų | 50 | 37.6 Ų | 37.6 | 41% | 0.413 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -85.8 | -15 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A221 A222 V223 | A221-A225 PolarHBondContact O-N 3.26Å; A222-A225 PolarHBondContact O-N 3.04Å; A222-A225 VanDerWaalsContact O-N 3.15Å; V223-A225 VanDerWaalsContact C-N 3.26Å; V223-A225 PolarHBondContact O-N 3.04Å |
| 226 | M | 93.8 | Very high | 92.9 | Very high | 45 Ų | 45 | 40 Ų | 40 | 22% | 0.222 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -71.4 | 128.5 | 175.9 | -70.5 | 175 | -174 | 0 | 0 | 110.8 | A222 V223 S228 G229 R275 Q303 V304 L307 | A222-M226 WeakPolarHBondContact O-CG 3.47Å; A222-M226 PolarHBondContact O-N 2.95Å; V223-M226 HydrophobicContact CG2-SD 4.18Å; V223-M226 PolarHBondContact O-N 3.47Å; M226-S228 PolarHBondContact O-N 3.48Å; M226-G229 PolarHBondContact O-N 3.1Å; M226-R275 PolarHBondContact O-NH1 3.25Å; M226-Q303 HydrophobicContact SD-CG 4.46Å; M226-Q303 PolarHBondContact SD-NE2 3.35Å; M226-V304 HydrophobicContact CE-CG2 3.94Å; M226-L307 HydrophobicContact CE-CD1 3.8Å; M226-L307 HydrophobicContact SD-CD1 3.54Å; M226-L307 VanDerWaalsContact SD-CD1 3.54Å |
| 227 | K | 92 | Very high | 93 | Very high | 198 Ų | 198 | 38.3 Ų | 38.3 | 86% | 0.861 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -44.1 | 178.4 | -69.1 | -175.3 | 178.2 | 180 | 0 | 112.2 | G229 R275 | K227-G229 PolarHBondContact O-N 2.66Å; K227-R275 PolarHBondContact O-NH2 3.14Å |
| 228 | S | 90.9 | Very high | 92.8 | Very high | 45 Ų | 45 | 38.4 Ų | 38.4 | 32% | 0.315 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.9 | 177.5 | 0.7 | 0 | 0 | 0 | 0 | 114.8 | M226 E313 | M226-S228 PolarHBondContact O-N 3.48Å; S228-E313 VanDerWaalsContact CB-OE2 3.25Å; S228-E313 WeakPolarHBondContact CB-OE2 3.34Å; S228-E313 PolarHBondContact OG-OE2 2.81Å |
| 229 | G | 92.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | 64.9 | -150.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | M226 K227 L231 Y245 Q303 | M226-G229 PolarHBondContact O-N 3.1Å; K227-G229 PolarHBondContact O-N 2.66Å; G229-L231 PolarHBondContact O-N 2.91Å; G229-Y245 WeakPolarHBondContact CA-OH 3.48Å; G229-Q303 PolarHBondContact O-NE2 3.15Å; G229-Q303 PolarHBondContact O-OE1 3.36Å | ||
| 230 | L | 94.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -77 | 117.2 | 175 | -174 | 69.8 | 0 | 0 | 0 | 110.7 | V223 V240 V243 Y245 A299 | V223-L230 HydrophobicContact CG1-CB 4.26Å; V223-L230 HydrophobicContact CG1-CD1 4.27Å; L230-V240 HydrophobicContact CD2-CG1 4.15Å; L230-V243 HydrophobicContact CD2-CG2 4.15Å; L230-Y245 PolarHBondContact N-OH 2.61Å; L230-A299 HydrophobicContact CD1-CB 4.05Å |
| 231 | L | 92.8 | Very high | 91.9 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | trans | -94.3 | 146.1 | -177.4 | -63.3 | 176.4 | 0 | 0 | 0 | 111.7 | G229 L233 A237 E313 M318 | G229-L231 PolarHBondContact O-N 2.91Å; L231-L233 HydrophobicContact CB-CD1 3.83Å; L231-L233 HydrophobicContact CB-CG 3.72Å; L231-L233 HydrophobicContact CD1-CD1 4.16Å; L231-L233 PolarHBondContact O-N 3.35Å; L231-A237 WeakPolarHBondContact O-CB 3.45Å; L231-E313 HydrophobicContact CD1-CB 4.44Å; L231-M318 HydrophobicContact CB-CE 4.33Å; L231-M318 HydrophobicContact CB-SD 4.3Å; L231-M318 HydrophobicContact CD1-CE 4.03Å; L231-M318 HydrophobicContact CD2-CE 3.76Å; L231-M318 HydrophobicContact CG-CE 4.25Å | ||
| 232 | P | 92.5 | Very high | 91.7 | Very high | 28 Ų | 28 | 39.1 Ų | 39.1 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -78.3 | 62 | 178 | 35.3 | -37 | 0 | 0 | 0 | 111.5 | L238 M318 L319 R321 | P232-L238 HydrophobicContact CB-CD2 4.08Å; P232-M318 HydrophobicContact CG-SD 4.18Å; P232-L319 WeakPolarHBondContact O-CB 3.48Å; P232-L319 PolarHBondContact O-N 2.85Å; P232-R321 HydrophobicContact CB-CG 4.34Å |
| 233 | L | 91.7 | Very high | 91.6 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | trans | -90.9 | -22.4 | -175.1 | -67.2 | 170.7 | 0 | 0 | 0 | 114 | L231 Q303 L316 M318 | L231-L233 HydrophobicContact CB-CD1 3.83Å; L231-L233 HydrophobicContact CB-CG 3.72Å; L231-L233 HydrophobicContact CD1-CD1 4.16Å; L231-L233 PolarHBondContact O-N 3.35Å; L233-Q303 HydrophobicContact CD1-CB 3.93Å; L233-Q303 HydrophobicContact CD1-CG 3.81Å; L233-L316 HydrophobicContact CD1-CD1 3.78Å; L233-L316 HydrophobicContact CD2-CB 3.67Å; L233-L316 HydrophobicContact CD2-CD1 3.76Å; L233-L316 HydrophobicContact CD2-CG 4.27Å; L233-L316 HydrophobicContact CG-CD1 4.45Å; L233-M318 HydrophobicContact CD2-SD 3.78Å; L233-M318 HydrophobicContact CG-SD 4.44Å | ||
| 234 | S | 91.4 | Very high | 91.6 | Very high | 13 Ų | 13 | 39 Ų | 39 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -139.3 | 166.6 | -173.3 | 86.8 | 0 | 0 | 0 | 0 | 111.9 | E236 A237 L238 | S234-E236 WeakPolarHBondContact CB-OE2 3.41Å; S234-E236 PolarHBondContact O-N 3.25Å; S234-E236 PolarHBondContact OG-N 2.93Å; S234-E236 PolarHBondContact OG-OE2 3.01Å; S234-A237 WeakPolarHBondContact O-CB 3.26Å; S234-A237 PolarHBondContact O-N 2.81Å; S234-A237 PolarHBondContact OG-N 2.97Å; S234-L238 WeakPolarHBondContact O-CG 3.29Å; S234-L238 PolarHBondContact O-N 2.92Å |
| 235 | H | 90.4 | Very high | 91.6 | Very high | 105 Ų | 105 | 42.4 Ų | 42.4 | 49% | 0.486 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.9 | -34.2 | 177.8 | 179.2 | -111.5 | 0 | 0 | 0 | 111.8 | L238 L239 | H235-L238 WeakPolarHBondContact O-CB 3.43Å; H235-L238 PolarHBondContact O-N 3.29Å; H235-L238 VanDerWaalsContact O-N 3.14Å; H235-L239 WeakPolarHBondContact O-CG 3.46Å; H235-L239 PolarHBondContact O-N 3.1Å |
| 236 | E | 91.6 | Very high | 91.6 | Very high | 49 Ų | 49 | 40.5 Ų | 40.5 | 23% | 0.229 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 175.4 | -56.1 | 63.9 | -133.9 | 0 | 0 | 110.2 | S234 L238 L239 V240 H295 A298 A299 I302 | S234-E236 WeakPolarHBondContact CB-OE2 3.41Å; S234-E236 PolarHBondContact O-N 3.25Å; S234-E236 PolarHBondContact OG-N 2.93Å; S234-E236 PolarHBondContact OG-OE2 3.01Å; E236-L238 PolarHBondContact O-N 3.09Å; E236-L239 PolarHBondContact O-N 3.26Å; E236-L239 VanDerWaalsContact O-N 3.15Å; E236-V240 VanDerWaalsContact O-CG2 3.29Å; E236-V240 WeakPolarHBondContact O-CG2 3.43Å; E236-V240 PolarHBondContact O-N 3.07Å; E236-V240 VanDerWaalsContact O-N 3.16Å; E236-H295 HydrophobicContact CB-CB 4.34Å; E236-A298 HydrophobicContact CB-CB 4.39Å; E236-A298 HydrophobicContact CG-CB 4Å; E236-A299 HydrophobicContact CB-CB 4.1Å; E236-I302 HydrophobicContact CG-CD1 4.49Å; E236-I302 WeakPolarHBondContact OE2-CD1 3.38Å |
| 237 | A | 91.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.1 | -19.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | L231 S234 A299 R321 | L231-A237 WeakPolarHBondContact O-CB 3.45Å; S234-A237 WeakPolarHBondContact O-CB 3.26Å; S234-A237 PolarHBondContact O-N 2.81Å; S234-A237 PolarHBondContact OG-N 2.97Å; A237-A299 HydrophobicContact CB-CB 3.92Å; A237-R321 PolarHBondContact O-NH2 2.89Å |
| 238 | L | 89.9 | Confident | 91.3 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -87.2 | -39.4 | 172.8 | -59.8 | 174.5 | 0 | 0 | 0 | 111.9 | P232 S234 H235 E236 V240 G241 L319 R321 H324 | P232-L238 HydrophobicContact CB-CD2 4.08Å; S234-L238 WeakPolarHBondContact O-CG 3.29Å; S234-L238 PolarHBondContact O-N 2.92Å; H235-L238 WeakPolarHBondContact O-CB 3.43Å; H235-L238 PolarHBondContact O-N 3.29Å; H235-L238 VanDerWaalsContact O-N 3.14Å; E236-L238 PolarHBondContact O-N 3.09Å; L238-V240 PolarHBondContact O-N 3.34Å; L238-G241 PolarHBondContact O-N 2.59Å; L238-L319 HydrophobicContact CD1-CB 4.01Å; L238-L319 HydrophobicContact CD1-CD1 3.76Å; L238-L319 HydrophobicContact CD2-CB 4.36Å; L238-L319 HydrophobicContact CG-CD1 4.4Å; L238-R321 HydrophobicContact CD2-CB 4.44Å; L238-R321 HydrophobicContact CD2-CG 3.56Å; L238-H324 HydrophobicContact CD1-CB 3.63Å |
| 239 | L | 88.8 | Confident | 90.8 | Very high | 34 Ų | 34 | 40.5 Ų | 40.5 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -31.4 | 175.7 | -74.9 | 170.1 | 0 | 0 | 0 | 113.2 | H235 E236 G241 P326 | H235-L239 WeakPolarHBondContact O-CG 3.46Å; H235-L239 PolarHBondContact O-N 3.1Å; E236-L239 PolarHBondContact O-N 3.26Å; E236-L239 VanDerWaalsContact O-N 3.15Å; L239-G241 VanDerWaalsContact C-N 3.29Å; L239-G241 PolarHBondContact O-N 3.47Å; L239-P326 HydrophobicContact CD2-CB 3.51Å; L239-P326 HydrophobicContact CD2-CG 4Å; L239-P326 HydrophobicContact CG-CB 4.28Å; L239-P326 HydrophobicContact CG-CG 4.5Å |
| 240 | V | 87.4 | Confident | 90 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -27.7 | 178.6 | 170.5 | 0 | 0 | 0 | 0 | 113.1 | L230 E236 L238 V243 V271 H295 I296 | L230-V240 HydrophobicContact CD2-CG1 4.15Å; E236-V240 VanDerWaalsContact O-CG2 3.29Å; E236-V240 WeakPolarHBondContact O-CG2 3.43Å; E236-V240 PolarHBondContact O-N 3.07Å; E236-V240 VanDerWaalsContact O-N 3.16Å; L238-V240 PolarHBondContact O-N 3.34Å; V240-V243 HydrophobicContact CG1-CG2 4.14Å; V240-V271 HydrophobicContact CG1-CG2 3.74Å; V240-H295 HydrophobicContact CG2-CB 3.76Å; V240-I296 HydrophobicContact CB-CG1 4.34Å; V240-I296 HydrophobicContact CG1-CD1 4.19Å; V240-I296 HydrophobicContact CG1-CG1 3.59Å; V240-I296 HydrophobicContact CG2-CB 4.45Å; V240-I296 HydrophobicContact CG2-CG1 3.66Å |
| 241 | G | 84.8 | Confident | 89.2 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 27% | 0.268 | 26% | 0.262 | S | S | . | . | trans | 72.1 | -144.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | L238 L239 R321 | L238-G241 PolarHBondContact O-N 2.59Å; L239-G241 VanDerWaalsContact C-N 3.29Å; L239-G241 PolarHBondContact O-N 3.47Å; G241-R321 VanDerWaalsContact O-CZ 3.23Å; G241-R321 PolarHBondContact O-NH1 2.87Å; G241-R321 PolarHBondContact O-NH2 3.39Å | ||
| 242 | D | 88.2 | Confident | 88.5 | Confident | 108 Ų | 108 | 47.5 Ų | 47.5 | 58% | 0.578 | 26% | 0.259 | S | S | * | . | trans | -85.4 | 131.6 | -169.7 | -62.8 | -36 | 0 | 0 | 0 | 113.2 | R321 | D242-R321 IonicContact OD1-NH1 3.09Å; D242-R321 PolarHBondContact OD1-NH1 3.43Å | ||
| 243 | V | 93.8 | Very high | 87.4 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.5 | -169.3 | 179 | 0 | 0 | 0 | 0 | 110 | L230 V240 Y245 V271 V273 | L230-V243 HydrophobicContact CD2-CG2 4.15Å; V240-V243 HydrophobicContact CG1-CG2 4.14Å; V243-Y245 HydrophobicContact CB-CE2 4.49Å; V243-Y245 HydrophobicContact CG1-CE2 4.04Å; V243-V271 HydrophobicContact CB-CB 4.45Å; V243-V271 HydrophobicContact CG1-CB 4.37Å; V243-V271 HydrophobicContact CG1-CG1 4.07Å; V243-V271 HydrophobicContact CG2-CB 4.07Å; V243-V271 HydrophobicContact CG2-CG1 4.15Å; V243-V271 HydrophobicContact CG2-CG2 4.49Å; V243-V273 HydrophobicContact CG1-CB 4.44Å; V243-V273 HydrophobicContact CG1-CG2 3.5Å |
| 244 | A | 95.4 | Very high | 86.9 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 154.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | S264 L265 C269 V271 L272 V273 | A244-S264 VanDerWaalsContact CB-O 3.25Å; A244-S264 WeakPolarHBondContact CB-O 3.42Å; A244-L265 HydrophobicContact CB-CD1 4.5Å; A244-C269 HydrophobicContact CB-CB 4.17Å; A244-V271 PolarHBondContact N-O 3.31Å; A244-L272 HydrophobicContact CB-CD1 3.74Å; A244-V273 PolarHBondContact O-N 3.28Å |
| 245 | Y | 95.4 | Very high | 86.6 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 28% | 0.282 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 141.6 | 173.1 | -64.9 | -91.8 | 0 | 0 | 0 | 109.1 | G229 L230 V243 V273 | G229-Y245 WeakPolarHBondContact CA-OH 3.48Å; L230-Y245 PolarHBondContact N-OH 2.61Å; V243-Y245 HydrophobicContact CB-CE2 4.49Å; V243-Y245 HydrophobicContact CG1-CE2 4.04Å; Y245-V273 WeakPolarHBondContact CA-O 3.27Å; Y245-V273 HydrophobicContact CD1-CB 3.61Å; Y245-V273 HydrophobicContact CD1-CG1 3.8Å; Y245-V273 HydrophobicContact CD1-CG2 4.25Å; Y245-V273 HydrophobicContact CE1-CB 3.73Å; Y245-V273 HydrophobicContact CE1-CG1 3.85Å; Y245-V273 HydrophobicContact CE1-CG2 3.88Å; Y245-V273 HydrophobicContact CG-CB 4.43Å |
| 246 | Y | 94.8 | Very high | 86.4 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 4% | 0.043 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.3 | 174.7 | 176.1 | -107.2 | 0 | 0 | 0 | 109.9 | Y248 D257 E260 L261 V273 L274 R275 | Y246-Y248 HydrophobicContact CD1-CD2 4.28Å; Y246-Y248 HydrophobicContact CE1-CD2 4.06Å; Y246-Y248 PolarHBondContact O-N 3.13Å; Y246-D257 PolarHBondContact OH-O 3.42Å; Y246-E260 HydrophobicContact CD2-CG 4.42Å; Y246-E260 HydrophobicContact CE2-CB 4.25Å; Y246-E260 HydrophobicContact CE2-CG 4.06Å; Y246-L261 HydrophobicContact CD1-CD1 4.11Å; Y246-L261 HydrophobicContact CD2-CB 4.43Å; Y246-L261 HydrophobicContact CD2-CD1 4.42Å; Y246-L261 HydrophobicContact CE1-CD1 4.38Å; Y246-L261 HydrophobicContact CE2-CB 4.07Å; Y246-L261 HydrophobicContact CG-CD1 4.12Å; Y246-V273 PolarHBondContact N-O 3.32Å; Y246-L274 HydrophobicContact CD1-CD2 3.8Å; Y246-R275 PolarHBondContact O-N 3.18Å |
| 247 | D | 92.3 | Very high | 86.2 | Confident | 111 Ų | 111 | 58.5 Ų | 58.5 | 59% | 0.594 | 32% | 0.315 | S | S | * | . | trans | -85.8 | 91.6 | -175.6 | -65.2 | -7.8 | 0 | 0 | 0 | 108.2 | R275 | D247-R275 WeakPolarHBondContact OD1-CG 3.26Š| ||
| 248 | Y | 85.9 | Confident | 86 | Confident | 34 Ų | 34 | 61.8 Ų | 61.8 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | trans | -86 | 113.6 | -165.7 | -177 | -100.6 | 0 | 0 | 0 | 112.5 | L198 Y246 G250 V252 L274 H277 | L198-Y248 HydrophobicContact CD1-CE2 4.1Å; L198-Y248 HydrophobicContact CD2-CE2 4.12Å; Y246-Y248 HydrophobicContact CD1-CD2 4.28Å; Y246-Y248 HydrophobicContact CE1-CD2 4.06Å; Y246-Y248 PolarHBondContact O-N 3.13Å; Y248-G250 PolarHBondContact O-N 3.3Å; Y248-G250 PolarHBondContact OH-O 3.03Å; Y248-V252 HydrophobicContact CD2-CG2 4.34Å; Y248-V252 HydrophobicContact CE2-CG2 3.81Å; Y248-L274 HydrophobicContact CD2-CD1 4.37Å; Y248-L274 HydrophobicContact CD2-CD2 3.98Å; Y248-L274 HydrophobicContact CG-CB 4.23Å; Y248-L274 HydrophobicContact CG-CD2 4.3Å; Y248-H277 HydrophobicContact CD1-CB 3.88Å; Y248-H277 AromaticContact CD1-CD2 3.95Å; Y248-H277 AromaticContact CD1-CG 3.68Å; Y248-H277 AromaticContact CD1-ND1 3.97Å; Y248-H277 AromaticContact CE1-CD2 3.88Å; Y248-H277 AromaticContact CE1-CE1 3.77Å; Y248-H277 AromaticContact CE1-CG 3.85Å; Y248-H277 AromaticContact CE1-ND1 3.78Å; Y248-H277 AromaticContact CE1-NE2 3.85Å | ||
| 249 | N | 82 | Confident | 86 | Confident | 142 Ų | 142 | 66.1 Ų | 66.1 | 76% | 0.759 | 35% | 0.349 | S | S | * | . | trans | -87.2 | 4.5 | -175.2 | -65.5 | -42.5 | 0 | 0 | 0 | 114.9 | ||||
| 250 | G | 76.1 | Confident | 86.2 | Confident | 48 Ų | 48 | 69 Ų | 69 | 50% | 0.495 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 106.3 | -29 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y248 | Y248-G250 PolarHBondContact O-N 3.3Å; Y248-G250 PolarHBondContact OH-O 3.03Å |
| 251 | E | 76.6 | Confident | 86.4 | Confident | 128 Ų | 128 | 68.7 Ų | 68.7 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | trans | -131 | 158.6 | -179.1 | -157.1 | -169 | 136 | 0 | 0 | 110.4 | ||||
| 252 | V | 77.9 | Confident | 86.8 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.012 | 37% | 0.369 | C | S | . | . | trans | -134 | 55.8 | 170.2 | -169.6 | 0 | 0 | 0 | 0 | 108.7 | S197 L198 A201 Y248 D257 R258 L261 | S197-V252 PolarHBondContact OG-O 3.3Å; L198-V252 HydrophobicContact CB-CG2 4.45Å; L198-V252 HydrophobicContact CD1-CG2 4Å; A201-V252 HydrophobicContact CB-CG1 3.89Å; Y248-V252 HydrophobicContact CD2-CG2 4.34Å; Y248-V252 HydrophobicContact CE2-CG2 3.81Å; V252-D257 HydrophobicContact CG1-CB 3.93Å; V252-R258 HydrophobicContact CG1-CG 3.98Å; V252-R258 PolarHBondContact O-NH1 2.77Å; V252-L261 HydrophobicContact CG1-CD2 4.06Å | ||
| 253 | G | 69.8 | Low | 87 | Confident | 31 Ų | 31 | 74.4 Ų | 74.4 | 32% | 0.32 | 37% | 0.373 | S | S | . | . | trans | -79 | -44.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 254 | Q | 81.5 | Confident | 86.9 | Confident | 113 Ų | 113 | 75.3 Ų | 75.3 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -82.3 | 159.8 | -166.5 | -47.6 | -53.9 | -39 | 0 | 0 | 112.9 | E256 D257 R258 | Q254-E256 VanDerWaalsContact C-N 3.31Å; Q254-D257 WeakPolarHBondContact CB-OD2 3.42Å; Q254-D257 WeakPolarHBondContact CG-OD2 3.47Å; Q254-D257 PolarHBondContact N-OD2 2.94Å; Q254-D257 VanDerWaalsContact N-OD2 3.11Å; Q254-D257 PolarHBondContact O-N 2.69Å; Q254-R258 VanDerWaalsContact O-CG 3.31Å; Q254-R258 WeakPolarHBondContact O-CG 3.15Å; Q254-R258 PolarHBondContact O-N 3.47Å |
| 255 | E | 83.8 | Confident | 86.8 | Confident | 144 Ų | 144 | 75 Ų | 75 | 67% | 0.673 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -71.1 | -31.8 | 179.1 | -159.3 | 172.1 | 171.3 | 0 | 0 | 111.2 | R258 M259 | E255-R258 PolarHBondContact O-N 2.89Å; E255-M259 HydrophobicContact CG-CE 4.31Å; E255-M259 WeakPolarHBondContact O-CG 3.47Å; E255-M259 PolarHBondContact O-N 3.19Å |
| 256 | E | 87.4 | Confident | 86.5 | Confident | 127 Ų | 127 | 72.6 Ų | 72.6 | 59% | 0.593 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59 | -48.9 | 170.7 | -68.2 | 72.6 | -164.1 | 0 | 0 | 112.1 | Q254 R258 M259 E260 | Q254-E256 VanDerWaalsContact C-N 3.31Å; E256-R258 VanDerWaalsContact C-N 3.29Å; E256-R258 PolarHBondContact O-N 2.52Å; E256-M259 PolarHBondContact O-N 3.46Å; E256-E260 PolarHBondContact O-N 2.6Å |
| 257 | D | 87.8 | Confident | 86.3 | Confident | 41 Ų | 41 | 77.3 Ų | 77.3 | 22% | 0.219 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 178.2 | -57.7 | -38.8 | 0 | 0 | 0 | 110.6 | Y246 V252 Q254 E260 L261 | Y246-D257 PolarHBondContact OH-O 3.42Å; V252-D257 HydrophobicContact CG1-CB 3.93Å; Q254-D257 WeakPolarHBondContact CB-OD2 3.42Å; Q254-D257 WeakPolarHBondContact CG-OD2 3.47Å; Q254-D257 PolarHBondContact N-OD2 2.94Å; Q254-D257 VanDerWaalsContact N-OD2 3.11Å; Q254-D257 PolarHBondContact O-N 2.69Å; D257-E260 PolarHBondContact O-N 3.19Å; D257-L261 WeakPolarHBondContact O-CB 3.48Å; D257-L261 PolarHBondContact O-N 2.79Å |
| 258 | R | 87.3 | Confident | 86.1 | Confident | 72 Ų | 72 | 77.2 Ų | 77.2 | 27% | 0.272 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 178.5 | -66.4 | 171 | 113.9 | 89.2 | 1.5 | 111.7 | S200 A201 V252 Q254 E255 E256 Q262 | S200-R258 PolarHBondContact OG-NH2 2.83Å; A201-R258 HydrophobicContact CB-CG 4.09Å; V252-R258 HydrophobicContact CG1-CG 3.98Å; V252-R258 PolarHBondContact O-NH1 2.77Å; Q254-R258 VanDerWaalsContact O-CG 3.31Å; Q254-R258 WeakPolarHBondContact O-CG 3.15Å; Q254-R258 PolarHBondContact O-N 3.47Å; E255-R258 PolarHBondContact O-N 2.89Å; E256-R258 VanDerWaalsContact C-N 3.29Å; E256-R258 PolarHBondContact O-N 2.52Å; R258-Q262 WeakPolarHBondContact O-CB 3.21Å; R258-Q262 PolarHBondContact O-N 2.96Å |
| 259 | M | 89.9 | Confident | 86.4 | Confident | 102 Ų | 102 | 76.6 Ų | 76.6 | 50% | 0.502 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 175.2 | -77.7 | -171.4 | -78.4 | 0 | 0 | 112.5 | E255 E256 Q262 K263 | E255-M259 HydrophobicContact CG-CE 4.31Å; E255-M259 WeakPolarHBondContact O-CG 3.47Å; E255-M259 PolarHBondContact O-N 3.19Å; E256-M259 PolarHBondContact O-N 3.46Å; M259-Q262 PolarHBondContact O-N 2.82Å; M259-K263 VanDerWaalsContact O-CB 3.29Å; M259-K263 WeakPolarHBondContact O-CB 3.28Å; M259-K263 PolarHBondContact O-N 3.05Å |
| 260 | E | 91.5 | Very high | 86.9 | Confident | 95 Ų | 95 | 73 Ų | 73 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.4 | -41.2 | 176.3 | -175.7 | 133.8 | -109.4 | 0 | 0 | 112 | Y246 E256 D257 Q262 K263 S264 | Y246-E260 HydrophobicContact CD2-CG 4.42Å; Y246-E260 HydrophobicContact CE2-CB 4.25Å; Y246-E260 HydrophobicContact CE2-CG 4.06Å; E256-E260 PolarHBondContact O-N 2.6Å; D257-E260 PolarHBondContact O-N 3.19Å; E260-Q262 VanDerWaalsContact C-N 3.34Å; E260-Q262 PolarHBondContact O-N 3.36Å; E260-K263 PolarHBondContact O-N 2.91Å; E260-K263 IonicContact OE1-NZ 2.88Å; E260-K263 PolarHBondContact OE1-NZ 3.1Å; E260-S264 WeakPolarHBondContact O-CB 3.44Å; E260-S264 PolarHBondContact O-N 3.49Å; E260-S264 PolarHBondContact O-OG 2.71Å |
| 261 | L | 92.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.3 | -46.4 | 172.5 | 176.5 | 62.9 | 0 | 0 | 0 | 111.6 | L198 A201 I202 Y246 V252 D257 S264 L265 L272 | L198-L261 HydrophobicContact CD1-CD2 4.42Å; A201-L261 HydrophobicContact CB-CD2 3.74Å; I202-L261 HydrophobicContact CG1-CD2 4.09Å; Y246-L261 HydrophobicContact CD1-CD1 4.11Å; Y246-L261 HydrophobicContact CD2-CB 4.43Å; Y246-L261 HydrophobicContact CD2-CD1 4.42Å; Y246-L261 HydrophobicContact CE1-CD1 4.38Å; Y246-L261 HydrophobicContact CE2-CB 4.07Å; Y246-L261 HydrophobicContact CG-CD1 4.12Å; V252-L261 HydrophobicContact CG1-CD2 4.06Å; D257-L261 WeakPolarHBondContact O-CB 3.48Å; D257-L261 PolarHBondContact O-N 2.79Å; L261-S264 PolarHBondContact O-N 2.65Å; L261-L265 WeakPolarHBondContact O-CB 3.16Å; L261-L265 PolarHBondContact O-N 2.9Å; L261-L272 HydrophobicContact CD1-CD2 3.5Å |
| 262 | Q | 92.1 | Very high | 88.7 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 176.9 | -178.6 | 175.5 | 46.7 | 0 | 0 | 112.3 | A205 R258 M259 E260 G266 | A205-Q262 HydrophobicContact CB-CB 3.94Å; A205-Q262 HydrophobicContact CB-CG 3.94Å; R258-Q262 WeakPolarHBondContact O-CB 3.21Å; R258-Q262 PolarHBondContact O-N 2.96Å; M259-Q262 PolarHBondContact O-N 2.82Å; E260-Q262 VanDerWaalsContact C-N 3.34Å; E260-Q262 PolarHBondContact O-N 3.36Å; Q262-G266 PolarHBondContact O-N 3.27Å |
| 263 | K | 92.6 | Very high | 89.6 | Confident | 154 Ų | 154 | 64.6 Ų | 64.6 | 67% | 0.67 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | 177.6 | 170.5 | -170.3 | 159.7 | -148.9 | 0 | 112.1 | M259 E260 | M259-K263 VanDerWaalsContact O-CB 3.29Å; M259-K263 WeakPolarHBondContact O-CB 3.28Å; M259-K263 PolarHBondContact O-N 3.05Å; E260-K263 PolarHBondContact O-N 2.91Å; E260-K263 IonicContact OE1-NZ 2.88Å; E260-K263 PolarHBondContact OE1-NZ 3.1Å |
| 264 | S | 92.6 | Very high | 90.8 | Very high | 45 Ų | 45 | 63.1 Ų | 63.1 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -77.1 | -36.9 | -178.6 | -65.6 | 0 | 0 | 0 | 0 | 113 | A244 E260 L261 | A244-S264 VanDerWaalsContact CB-O 3.25Å; A244-S264 WeakPolarHBondContact CB-O 3.42Å; E260-S264 WeakPolarHBondContact O-CB 3.44Å; E260-S264 PolarHBondContact O-N 3.49Å; E260-S264 PolarHBondContact O-OG 2.71Å; L261-S264 PolarHBondContact O-N 2.65Å |
| 265 | L | 92.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.3 | -39.7 | 175.5 | 179.2 | 61.6 | 0 | 0 | 0 | 112.6 | I202 R206 A244 L261 C269 L272 L282 | I202-L265 HydrophobicContact CG2-CD2 4.07Å; R206-L265 HydrophobicContact CG-CD2 3.69Å; R206-L265 HydrophobicContact CG-CG 4.41Å; A244-L265 HydrophobicContact CB-CD1 4.5Å; L261-L265 WeakPolarHBondContact O-CB 3.16Å; L261-L265 PolarHBondContact O-N 2.9Å; L265-C269 HydrophobicContact CD1-CB 4.5Å; L265-C269 WeakPolarHBondContact O-CB 3.41Å; L265-L272 HydrophobicContact CD1-CB 4.34Å; L265-L282 HydrophobicContact CD1-CD1 4.07Å; L265-L282 HydrophobicContact CD1-CD2 3.95Å; L265-L282 HydrophobicContact CD2-CD2 3.85Å; L265-L282 HydrophobicContact CG-CD2 4.48Å |
| 266 | G | 90.5 | Very high | 91.8 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 22% | 0.216 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -174.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R206 Q262 | R206-G266 WeakPolarHBondContact CD-O 3.48Å; R206-G266 PolarHBondContact NH1-O 2.95Å; Q262-G266 PolarHBondContact O-N 3.27Å |
| 267 | P | 89.7 | Confident | 92 | Very high | 111 Ų | 111 | 56.4 Ų | 56.4 | 72% | 0.721 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -14.2 | -172.2 | 32.3 | -35.7 | 0 | 0 | 0 | 114.7 | ||
| 268 | T | 87.6 | Confident | 92.2 | Very high | 108 Ų | 108 | 54.5 Ų | 54.5 | 66% | 0.663 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | -25.7 | -167.4 | 45.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 269 | C | 91.9 | Very high | 92.6 | Very high | 22 Ų | 22 | 51.1 Ų | 51.1 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | trans | -66.2 | 145.3 | -179.2 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | R206 A244 L265 | R206-C269 PolarHBondContact NH1-O 2.76Å; A244-C269 HydrophobicContact CB-CB 4.17Å; L265-C269 HydrophobicContact CD1-CB 4.5Å; L265-C269 WeakPolarHBondContact O-CB 3.41Å | ||
| 270 | K | 92.7 | Very high | 92.9 | Very high | 65 Ų | 65 | 46.2 Ų | 46.2 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | trans | -116.4 | 6 | 178.8 | -67 | -169.2 | 175.2 | -172.9 | 0 | 112.9 | L282 E288 | K270-L282 VanDerWaalsContact C-CD1 3.5Å; K270-L282 WeakPolarHBondContact O-CD1 3.39Å; K270-L282 PolarHBondContact O-N 3.1Å; K270-E288 VanDerWaalsContact NZ-CD 3.34Å; K270-E288 IonicContact NZ-OE1 2.68Å; K270-E288 PolarHBondContact NZ-OE1 2.96Å; K270-E288 IonicContact NZ-OE2 3.42Å; K270-E288 PolarHBondContact NZ-OE2 2.98Å | ||
| 271 | V | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 134.6 | -177.1 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | V240 V243 A244 I279 V280 T292 I296 | V240-V271 HydrophobicContact CG1-CG2 3.74Å; V243-V271 HydrophobicContact CB-CB 4.45Å; V243-V271 HydrophobicContact CG1-CB 4.37Å; V243-V271 HydrophobicContact CG1-CG1 4.07Å; V243-V271 HydrophobicContact CG2-CB 4.07Å; V243-V271 HydrophobicContact CG2-CG1 4.15Å; V243-V271 HydrophobicContact CG2-CG2 4.49Å; A244-V271 PolarHBondContact N-O 3.31Å; V271-I279 HydrophobicContact CG1-CG2 3.63Å; V271-V280 WeakPolarHBondContact CA-O 3.46Å; V271-T292 HydrophobicContact CG2-CG2 3.61Å; V271-I296 HydrophobicContact CB-CD1 4.29Å; V271-I296 HydrophobicContact CG1-CD1 3.5Å; V271-I296 VanDerWaalsContact CG1-CD1 3.5Å; V271-I296 HydrophobicContact CG1-CG1 4.35Å; V271-I296 HydrophobicContact CG2-CD1 3.81Å |
| 272 | L | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 115.7 | 174.6 | -176.5 | 67 | 0 | 0 | 0 | 109.1 | I202 A244 L261 L265 L274 I279 V280 L282 | I202-L272 HydrophobicContact CD1-CD2 4.13Å; A244-L272 HydrophobicContact CB-CD1 3.74Å; L261-L272 HydrophobicContact CD1-CD2 3.5Å; L265-L272 HydrophobicContact CD1-CB 4.34Å; L272-L274 HydrophobicContact CD2-CD2 3.71Å; L272-L274 HydrophobicContact CG-CD2 3.96Å; L272-L274 HydrophobicContact CG-CG 4.5Å; L272-I279 WeakPolarHBondContact O-CA 3.14Å; L272-V280 HydrophobicContact CB-CB 4.44Å; L272-V280 PolarHBondContact N-O 2.73Å; L272-V280 PolarHBondContact O-N 3.2Å; L272-L282 HydrophobicContact CB-CD1 4.36Å |
| 273 | V | 96.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 116 | 170.1 | 177 | 0 | 0 | 0 | 0 | 108 | V243 A244 Y245 Y246 I279 | V243-V273 HydrophobicContact CG1-CB 4.44Å; V243-V273 HydrophobicContact CG1-CG2 3.5Å; A244-V273 PolarHBondContact O-N 3.28Å; Y245-V273 WeakPolarHBondContact CA-O 3.27Å; Y245-V273 HydrophobicContact CD1-CB 3.61Å; Y245-V273 HydrophobicContact CD1-CG1 3.8Å; Y245-V273 HydrophobicContact CD1-CG2 4.25Å; Y245-V273 HydrophobicContact CE1-CB 3.73Å; Y245-V273 HydrophobicContact CE1-CG1 3.85Å; Y245-V273 HydrophobicContact CE1-CG2 3.88Å; Y245-V273 HydrophobicContact CG-CB 4.43Å; Y246-V273 PolarHBondContact N-O 3.32Å; V273-I279 HydrophobicContact CG1-CG1 4.41Å; V273-I279 HydrophobicContact CG2-CD1 4.07Å; V273-I279 HydrophobicContact CG2-CG1 4.02Å; V273-I279 HydrophobicContact CG2-CG2 4.25Å |
| 274 | L | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 109 | 175.4 | -60.9 | 173.5 | 0 | 0 | 0 | 107.2 | L198 S224 Y246 Y248 L272 N276 H277 G278 V280 | L198-L274 HydrophobicContact CD1-CD1 4.49Å; L198-L274 HydrophobicContact CD2-CD1 3.66Å; S224-L274 WeakPolarHBondContact CB-O 3.25Å; Y246-L274 HydrophobicContact CD1-CD2 3.8Å; Y248-L274 HydrophobicContact CD2-CD1 4.37Å; Y248-L274 HydrophobicContact CD2-CD2 3.98Å; Y248-L274 HydrophobicContact CG-CB 4.23Å; Y248-L274 HydrophobicContact CG-CD2 4.3Å; L272-L274 HydrophobicContact CD2-CD2 3.71Å; L272-L274 HydrophobicContact CG-CD2 3.96Å; L272-L274 HydrophobicContact CG-CG 4.5Å; L274-N276 PolarHBondContact O-N 3.5Å; L274-H277 HydrophobicContact CB-CB 4.09Å; L274-H277 PolarHBondContact O-N 2.89Å; L274-H277 VanDerWaalsContact O-N 3.14Å; L274-G278 PolarHBondContact N-O 3.48Å; L274-G278 PolarHBondContact O-N 3.23Å; L274-G278 VanDerWaalsContact O-N 3.1Å; L274-V280 HydrophobicContact CD1-CG2 3.83Å; L274-V280 HydrophobicContact CG-CG2 4.49Å |
| 275 | R | 94.5 | Very high | 93.5 | Very high | 53 Ų | 53 | 32.7 Ų | 32.7 | 20% | 0.2 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 136.7 | -174.9 | -69.7 | -52.8 | -162.7 | 161.4 | 3 | 111.2 | S224 M226 K227 Y246 D247 H277 | S224-R275 VanDerWaalsContact O-CD 3.25Å; S224-R275 WeakPolarHBondContact O-CD 3.27Å; S224-R275 PolarHBondContact O-NH1 2.95Å; M226-R275 PolarHBondContact O-NH1 3.25Å; K227-R275 PolarHBondContact O-NH2 3.14Å; Y246-R275 PolarHBondContact O-N 3.18Å; D247-R275 WeakPolarHBondContact OD1-CG 3.26Å; R275-H277 PolarHBondContact O-N 3.37Å |
| 276 | N | 92.5 | Very high | 93.6 | Very high | 131 Ų | 131 | 32.9 Ų | 32.9 | 70% | 0.701 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 16.8 | 177.4 | -62.2 | 78.7 | 0 | 0 | 0 | 115.2 | S224 L274 | S224-N276 PolarHBondContact O-N 2.65Å; S224-N276 PolarHBondContact OG-N 3.02Å; L274-N276 PolarHBondContact O-N 3.5Å |
| 277 | H | 91.6 | Very high | 93.8 | Very high | 60 Ų | 60 | 32.3 Ų | 32.3 | 28% | 0.278 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | -58.2 | -174.2 | -173.9 | 77.6 | 0 | 0 | 0 | 112.7 | H214 H216 S224 Y248 L274 R275 | H214-H277 AromaticContact CE1-CD2 3.52Å; H214-H277 AromaticContact CE1-NE2 3.27Å; H214-H277 PolarHBondContact CE1-NE2 3.22Å; H214-H277 VanDerWaalsContact CE1-NE2 3.27Å; H214-H277 AromaticContact NE2-CD2 3.4Å; H214-H277 PolarHBondContact NE2-CD2 3.39Å; H214-H277 AromaticContact NE2-NE2 3.57Å; H216-H277 AromaticContact CE1-CE1 3.84Å; H216-H277 AromaticContact CE1-NE2 3.54Å; H216-H277 AromaticContact NE2-CD2 3.47Å; H216-H277 PolarHBondContact NE2-CD2 3.31Å; H216-H277 AromaticContact NE2-CE1 3.64Å; H216-H277 AromaticContact NE2-NE2 3.01Å; H216-H277 PolarHBondContact NE2-NE2 2.86Å; S224-H277 PolarHBondContact OG-N 3.35Å; Y248-H277 HydrophobicContact CD1-CB 3.88Å; Y248-H277 AromaticContact CD1-CD2 3.95Å; Y248-H277 AromaticContact CD1-CG 3.68Å; Y248-H277 AromaticContact CD1-ND1 3.97Å; Y248-H277 AromaticContact CE1-CD2 3.88Å; Y248-H277 AromaticContact CE1-CE1 3.77Å; Y248-H277 AromaticContact CE1-CG 3.85Å; Y248-H277 AromaticContact CE1-ND1 3.78Å; Y248-H277 AromaticContact CE1-NE2 3.85Å; L274-H277 HydrophobicContact CB-CB 4.09Å; L274-H277 PolarHBondContact O-N 2.89Å; L274-H277 VanDerWaalsContact O-N 3.14Å; R275-H277 PolarHBondContact O-N 3.37Å |
| 278 | G | 92.1 | Very high | 94 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.7 | -161.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L274 | L274-G278 PolarHBondContact N-O 3.48Å; L274-G278 PolarHBondContact O-N 3.23Å; L274-G278 VanDerWaalsContact O-N 3.1Å |
| 279 | I | 95.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 134.3 | -177.7 | -51.8 | 179.4 | 0 | 0 | 0 | 110.6 | L215 T220 V271 L272 V273 I296 | L215-I279 PolarHBondContact N-O 3.43Å; L215-I279 PolarHBondContact O-N 3.23Å; T220-I279 HydrophobicContact CG2-CD1 3.87Å; T220-I279 HydrophobicContact CG2-CG1 4.35Å; V271-I279 HydrophobicContact CG1-CG2 3.63Å; L272-I279 WeakPolarHBondContact O-CA 3.14Å; V273-I279 HydrophobicContact CG1-CG1 4.41Å; V273-I279 HydrophobicContact CG2-CD1 4.07Å; V273-I279 HydrophobicContact CG2-CG1 4.02Å; V273-I279 HydrophobicContact CG2-CG2 4.25Å; I279-I296 HydrophobicContact CB-CG2 4.3Å; I279-I296 HydrophobicContact CD1-CG2 3.67Å; I279-I296 HydrophobicContact CG2-CD1 4.05Å; I279-I296 HydrophobicContact CG2-CG2 4Å |
| 280 | V | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 126.9 | 173.8 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | I202 L212 L213 H214 V271 L272 L274 | I202-V280 HydrophobicContact CD1-CG1 4.22Å; L212-V280 HydrophobicContact CB-CG1 4.4Å; L212-V280 HydrophobicContact CD2-CG1 4.29Å; L213-V280 WeakPolarHBondContact O-CA 3.46Å; H214-V280 HydrophobicContact CB-CG2 4.09Å; V271-V280 WeakPolarHBondContact CA-O 3.46Å; L272-V280 HydrophobicContact CB-CB 4.44Å; L272-V280 PolarHBondContact N-O 2.73Å; L272-V280 PolarHBondContact O-N 3.2Å; L274-V280 HydrophobicContact CD1-CG2 3.83Å; L274-V280 HydrophobicContact CG-CG2 4.49Å |
| 281 | A | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 138.3 | 168 | 0 | 0 | 0 | 0 | 0 | 110.9 | L212 L213 T292 I293 I296 | L212-A281 WeakPolarHBondContact CA-O 3.23Å; L213-A281 PolarHBondContact N-O 3.29Å; L213-A281 PolarHBondContact O-N 3.22Å; A281-T292 HydrophobicContact CB-CG2 3.89Å; A281-I293 HydrophobicContact CB-CB 3.81Å; A281-I293 HydrophobicContact CB-CD1 3.78Å; A281-I293 HydrophobicContact CB-CG1 4.33Å; A281-I296 HydrophobicContact CB-CD1 4.29Å |
| 282 | L | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.7 | -177.4 | -56.4 | 88.9 | 0 | 0 | 0 | 110.1 | I202 V209 L212 L265 K270 L272 | I202-L282 HydrophobicContact CG2-CD2 3.47Å; I202-L282 VanDerWaalsContact CG2-CD2 3.47Å; I202-L282 HydrophobicContact CG2-CG 4.4Å; V209-L282 HydrophobicContact CG1-CB 4.03Å; V209-L282 HydrophobicContact CG1-CD2 4.44Å; V209-L282 HydrophobicContact CG2-CB 4.03Å; V209-L282 HydrophobicContact CG2-CD2 4.09Å; L212-L282 HydrophobicContact CD2-CB 4.11Å; L212-L282 HydrophobicContact CD2-CD2 3.89Å; L212-L282 HydrophobicContact CD2-CG 3.6Å; L265-L282 HydrophobicContact CD1-CD1 4.07Å; L265-L282 HydrophobicContact CD1-CD2 3.95Å; L265-L282 HydrophobicContact CD2-CD2 3.85Å; L265-L282 HydrophobicContact CG-CD2 4.48Å; K270-L282 VanDerWaalsContact C-CD1 3.5Å; K270-L282 WeakPolarHBondContact O-CD1 3.39Å; K270-L282 PolarHBondContact O-N 3.1Å; L272-L282 HydrophobicContact CB-CD1 4.36Å |
| 283 | G | 94.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 150.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R210 C211 S285 E288 | R210-G283 PolarHBondContact N-O 3.42Å; C211-G283 PolarHBondContact N-O 3.39Å; C211-G283 PolarHBondContact O-N 3Å; G283-S285 PolarHBondContact O-N 2.78Å; G283-E288 WeakPolarHBondContact CA-OE2 3.49Å |
| 284 | E | 93.4 | Very high | 94.6 | Very high | 92 Ų | 92 | 25.3 Ų | 25.3 | 43% | 0.43 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -65.4 | -23.3 | 167.5 | -70.8 | -178.7 | -147.4 | 0 | 0 | 111.9 | R210 E288 R346 | R210-E284 WeakPolarHBondContact CB-O 3.37Å; E284-E288 PolarHBondContact N-OE2 3.16Å; E284-R346 IonicContact OE2-CZ 3.85Å; E284-R346 IonicContact OE2-NH1 2.86Å; E284-R346 PolarHBondContact OE2-NH1 2.93Å |
| 285 | S | 93.3 | Very high | 94.6 | Very high | 17 Ų | 17 | 26.7 Ų | 26.7 | 12% | 0.119 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -139.2 | 172.3 | 178.2 | 88.5 | 0 | 0 | 0 | 0 | 111.4 | G283 E287 E288 A289 | G283-S285 PolarHBondContact O-N 2.78Å; S285-E287 WeakPolarHBondContact CB-OE2 3.26Å; S285-E287 PolarHBondContact OG-N 3.48Å; S285-E287 PolarHBondContact OG-OE2 3.24Å; S285-E288 PolarHBondContact OG-N 3.45Å; S285-A289 PolarHBondContact O-N 3.27Å |
| 286 | M | 94.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.4 | -40.4 | 179.5 | -163.5 | 79.1 | -159.9 | 0 | 0 | 111.1 | K123 L124 T127 L146 C211 L213 A289 F290 F352 | K123-M286 HydrophobicContact CB-CB 4.49Å; K123-M286 HydrophobicContact CB-CG 4.22Å; L124-M286 HydrophobicContact CD1-CE 3.62Å; L124-M286 HydrophobicContact CD1-SD 4.34Å; T127-M286 VanDerWaalsContact CB-CE 3.48Å; T127-M286 HydrophobicContact CG2-CE 3.75Å; T127-M286 VanDerWaalsContact OG1-CE 3.23Å; T127-M286 WeakPolarHBondContact OG1-CE 3.28Å; L146-M286 HydrophobicContact CD1-SD 4.05Å; L146-M286 HydrophobicContact CD2-SD 3.96Å; L146-M286 HydrophobicContact CG-SD 4.44Å; C211-M286 HydrophobicContact CB-SD 4.34Å; C211-M286 PolarHBondContact SG-SD 2.98Å; L213-M286 HydrophobicContact CD2-CE 3.71Å; M286-A289 PolarHBondContact O-N 2.95Å; M286-F290 VanDerWaalsContact O-CB 3.26Å; M286-F290 WeakPolarHBondContact O-CB 3.44Å; M286-F290 PolarHBondContact O-N 3.39Å; M286-F352 HydrophobicContact CG-CE2 4.21Å; M286-F352 HydrophobicContact CG-CZ 4.1Å |
| 287 | E | 94.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 18.2 Ų | 18.2 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.9 | -42.9 | -176.5 | -55.7 | 75.5 | -167.8 | 0 | 0 | 111.1 | K123 S285 Y291 E349 F352 | K123-E287 WeakPolarHBondContact CD-OE1 3.26Å; K123-E287 WeakPolarHBondContact CE-OE1 3.33Å; K123-E287 IonicContact NZ-OE1 2.74Å; K123-E287 PolarHBondContact NZ-OE1 2.89Å; S285-E287 WeakPolarHBondContact CB-OE2 3.26Å; S285-E287 PolarHBondContact OG-N 3.48Å; S285-E287 PolarHBondContact OG-OE2 3.24Å; E287-Y291 VanDerWaalsContact O-CB 3.28Å; E287-Y291 WeakPolarHBondContact O-CB 3.4Å; E287-Y291 PolarHBondContact O-N 2.99Å; E287-E349 HydrophobicContact CB-CG 4.33Å; E287-E349 HydrophobicContact CG-CG 4.29Å; E287-F352 HydrophobicContact CB-CB 3.97Å; E287-F352 HydrophobicContact CB-CG 4.26Å; E287-F352 HydrophobicContact CG-CB 3.75Å; E287-F352 HydrophobicContact CG-CD1 3.9Å; E287-F352 HydrophobicContact CG-CD2 4.48Å; E287-F352 HydrophobicContact CG-CG 3.8Å |
| 288 | E | 93.9 | Very high | 95 | Very high | 21 Ų | 21 | 16.4 Ų | 16.4 | 10% | 0.098 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.2 | -50.3 | 176.7 | -179.9 | 176 | -127.8 | 0 | 0 | 111.6 | K270 G283 E284 S285 F290 Y291 T292 | K270-E288 VanDerWaalsContact NZ-CD 3.34Å; K270-E288 IonicContact NZ-OE1 2.68Å; K270-E288 PolarHBondContact NZ-OE1 2.96Å; K270-E288 IonicContact NZ-OE2 3.42Å; K270-E288 PolarHBondContact NZ-OE2 2.98Å; G283-E288 WeakPolarHBondContact CA-OE2 3.49Å; E284-E288 PolarHBondContact N-OE2 3.16Å; S285-E288 PolarHBondContact OG-N 3.45Å; E288-F290 VanDerWaalsContact C-N 3.28Å; E288-F290 PolarHBondContact O-N 2.96Å; E288-Y291 PolarHBondContact O-N 2.75Å; E288-T292 PolarHBondContact O-N 3.39Å; E288-T292 PolarHBondContact O-OG1 2.82Å |
| 289 | A | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.5 | -40 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C211 L213 S285 M286 T292 I293 | C211-A289 HydrophobicContact CB-CB 3.79Å; L213-A289 HydrophobicContact CD1-CB 3.92Å; L213-A289 HydrophobicContact CG-CB 4.05Å; S285-A289 PolarHBondContact O-N 3.27Å; M286-A289 PolarHBondContact O-N 2.95Å; A289-T292 PolarHBondContact O-N 3.12Å; A289-I293 PolarHBondContact O-N 3.22Å |
| 290 | F | 95.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 3% | 0.026 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.8 | -44.4 | 176.6 | -171 | -89 | 0 | 0 | 0 | 112.3 | T127 L130 F131 Y134 L213 M286 E288 T292 I293 Y294 F352 L355 | T127-F290 HydrophobicContact CG2-CD2 3.54Å; T127-F290 HydrophobicContact CG2-CE2 3.85Å; L130-F290 HydrophobicContact CB-CE2 4.03Å; L130-F290 HydrophobicContact CB-CZ 4.11Å; L130-F290 HydrophobicContact CD1-CE2 3.99Å; L130-F290 HydrophobicContact CD1-CZ 3.85Å; F131-F290 HydrophobicContact CD2-CE2 4.16Å; F131-F290 HydrophobicContact CE2-CD2 4.11Å; F131-F290 AromaticContact CE2-CE2 3.91Å; F131-F290 HydrophobicContact CE2-CE2 3.91Å; Y134-F290 AromaticContact CE2-CZ 3.91Å; Y134-F290 HydrophobicContact CE2-CZ 3.91Å; L213-F290 HydrophobicContact CD1-CB 4.18Å; L213-F290 HydrophobicContact CD1-CD2 4.41Å; M286-F290 VanDerWaalsContact O-CB 3.26Å; M286-F290 WeakPolarHBondContact O-CB 3.44Å; M286-F290 PolarHBondContact O-N 3.39Å; E288-F290 VanDerWaalsContact C-N 3.28Å; E288-F290 PolarHBondContact O-N 2.96Å; F290-T292 VanDerWaalsContact C-N 3.31Å; F290-T292 PolarHBondContact O-N 3.37Å; F290-I293 PolarHBondContact O-N 2.71Å; F290-Y294 HydrophobicContact CE1-CD2 4.31Å; F290-Y294 VanDerWaalsContact O-CB 3.27Å; F290-Y294 WeakPolarHBondContact O-CB 3.3Å; F290-Y294 PolarHBondContact O-N 3.09Å; F290-F352 HydrophobicContact CB-CD2 3.97Å; F290-F352 HydrophobicContact CB-CE2 4.15Å; F290-F352 HydrophobicContact CD1-CD2 4.11Å; F290-F352 HydrophobicContact CD2-CE2 4.44Å; F290-F352 AromaticContact CG-CD2 3.99Å; F290-F352 HydrophobicContact CG-CD2 3.99Å; F290-F352 HydrophobicContact CG-CE2 4.14Å; F290-L355 HydrophobicContact CD1-CD1 4.15Å; F290-L355 HydrophobicContact CE1-CD1 3.3Å; F290-L355 HydrophobicContact CZ-CD1 3.86Å |
| 291 | Y | 94.9 | Very high | 95.2 | Very high | 22 Ų | 22 | 21 Ų | 21 | 9% | 0.086 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.1 | -45.4 | 174.4 | -178.5 | -87.3 | 0 | 0 | 0 | 111.1 | E287 E288 H295 T329 T347 E351 | E287-Y291 VanDerWaalsContact O-CB 3.28Å; E287-Y291 WeakPolarHBondContact O-CB 3.4Å; E287-Y291 PolarHBondContact O-N 2.99Å; E288-Y291 PolarHBondContact O-N 2.75Å; Y291-H295 AromaticContact CD1-ND1 3.82Å; Y291-H295 AromaticContact CD2-CE1 3.71Å; Y291-H295 AromaticContact CE1-CE1 3.9Å; Y291-H295 AromaticContact CE1-ND1 3.84Å; Y291-H295 AromaticContact CE2-CE1 3.47Å; Y291-H295 VanDerWaalsContact CE2-CE1 3.47Å; Y291-H295 WeakPolarHBondContact CE2-CE1 3.36Å; Y291-H295 AromaticContact CG-ND1 3.98Å; Y291-H295 AromaticContact CZ-CE1 3.58Å; Y291-H295 PolarHBondContact O-N 3.12Å; Y291-H295 PolarHBondContact O-ND1 3.33Å; Y291-T329 HydrophobicContact CE2-CG2 4.32Å; Y291-T329 PolarHBondContact OH-OG1 3.13Å; Y291-T347 HydrophobicContact CD1-CG2 3.45Å; Y291-T347 VanDerWaalsContact CD1-CG2 3.45Å; Y291-T347 HydrophobicContact CE1-CG2 3.61Å; Y291-T347 HydrophobicContact CG-CG2 3.94Å; Y291-E351 HydrophobicContact CD2-CG 4.22Å; Y291-E351 HydrophobicContact CE2-CG 4.25Å; Y291-E351 WeakPolarHBondContact CE2-OE1 3.48Å |
| 292 | T | 94.9 | Very high | 95.2 | Very high | 11 Ų | 11 | 24.2 Ų | 24.2 | 7% | 0.067 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.9 | -48.5 | 177.9 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | V271 A281 E288 A289 F290 Y294 H295 I296 | V271-T292 HydrophobicContact CG2-CG2 3.61Å; A281-T292 HydrophobicContact CB-CG2 3.89Å; E288-T292 PolarHBondContact O-N 3.39Å; E288-T292 PolarHBondContact O-OG1 2.82Å; A289-T292 PolarHBondContact O-N 3.12Å; F290-T292 VanDerWaalsContact C-N 3.31Å; F290-T292 PolarHBondContact O-N 3.37Å; T292-Y294 VanDerWaalsContact C-N 3.34Å; T292-Y294 PolarHBondContact O-N 3.25Å; T292-H295 PolarHBondContact O-N 2.57Å; T292-I296 HydrophobicContact CG2-CD1 3.73Å; T292-I296 HydrophobicContact CG2-CG1 4.46Å; T292-I296 VanDerWaalsContact O-CG1 3.28Å; T292-I296 WeakPolarHBondContact O-CG1 3.13Å; T292-I296 PolarHBondContact O-N 3.47Å |
| 293 | I | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.4 | -33.2 | -178.9 | -155.3 | 68.3 | 0 | 0 | 0 | 112.8 | F131 W136 L213 L215 A281 A289 F290 I296 Q297 | F131-I293 HydrophobicContact CE2-CG2 4.2Å; F131-I293 HydrophobicContact CZ-CG2 3.94Å; W136-I293 HydrophobicContact CZ3-CG2 4.41Å; L213-I293 HydrophobicContact CB-CB 4.49Å; L213-I293 HydrophobicContact CB-CG2 4.41Å; L213-I293 HydrophobicContact CD1-CB 4.48Å; L213-I293 HydrophobicContact CD1-CG2 3.77Å; L215-I293 HydrophobicContact CB-CD1 3.83Å; L215-I293 HydrophobicContact CB-CG1 3.98Å; L215-I293 HydrophobicContact CD1-CG1 4.3Å; L215-I293 HydrophobicContact CD2-CG1 4.3Å; L215-I293 HydrophobicContact CG-CG1 4.43Å; A281-I293 HydrophobicContact CB-CB 3.81Å; A281-I293 HydrophobicContact CB-CD1 3.78Å; A281-I293 HydrophobicContact CB-CG1 4.33Å; A289-I293 PolarHBondContact O-N 3.22Å; F290-I293 PolarHBondContact O-N 2.71Å; I293-I296 HydrophobicContact CD1-CD1 4.11Å; I293-I296 HydrophobicContact CD1-CG2 4.49Å; I293-I296 PolarHBondContact O-N 3.22Å; I293-Q297 WeakPolarHBondContact O-CB 3.36Å; I293-Q297 PolarHBondContact O-N 2.95Å |
| 294 | Y | 95.4 | Very high | 95.1 | Very high | 102 Ų | 102 | 26 Ų | 26 | 40% | 0.4 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 175.2 | -175.9 | -82.2 | 0 | 0 | 0 | 111.8 | Y134 W136 F290 T292 Q297 A298 | Y134-Y294 AromaticContact CE2-CD2 3.89Å; Y134-Y294 HydrophobicContact CE2-CD2 3.89Å; Y134-Y294 AromaticContact CE2-CE2 3.8Å; Y134-Y294 HydrophobicContact CE2-CE2 3.8Å; Y134-Y294 AromaticContact CZ-CE2 3.97Å; W136-Y294 AromaticContact CH2-CD2 3.81Å; W136-Y294 HydrophobicContact CH2-CD2 3.81Å; W136-Y294 HydrophobicContact CH2-CG 4.4Å; W136-Y294 HydrophobicContact CZ2-CD2 4.45Å; F290-Y294 HydrophobicContact CE1-CD2 4.31Å; F290-Y294 VanDerWaalsContact O-CB 3.27Å; F290-Y294 WeakPolarHBondContact O-CB 3.3Å; F290-Y294 PolarHBondContact O-N 3.09Å; T292-Y294 VanDerWaalsContact C-N 3.34Å; T292-Y294 PolarHBondContact O-N 3.25Å; Y294-Q297 PolarHBondContact O-N 3.5Å; Y294-A298 PolarHBondContact O-N 3.29Å |
| 295 | H | 95.1 | Very high | 95.2 | Very high | 28 Ų | 28 | 25 Ų | 25 | 13% | 0.13 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -73.4 | -31.8 | 178.2 | -66.1 | 91 | 0 | 0 | 0 | 112.5 | E236 V240 Y291 T292 A299 | E236-H295 HydrophobicContact CB-CB 4.34Å; V240-H295 HydrophobicContact CG2-CB 3.76Å; Y291-H295 AromaticContact CD1-ND1 3.82Å; Y291-H295 AromaticContact CD2-CE1 3.71Å; Y291-H295 AromaticContact CE1-CE1 3.9Å; Y291-H295 AromaticContact CE1-ND1 3.84Å; Y291-H295 AromaticContact CE2-CE1 3.47Å; Y291-H295 VanDerWaalsContact CE2-CE1 3.47Å; Y291-H295 WeakPolarHBondContact CE2-CE1 3.36Å; Y291-H295 AromaticContact CG-ND1 3.98Å; Y291-H295 AromaticContact CZ-CE1 3.58Å; Y291-H295 PolarHBondContact O-N 3.12Å; Y291-H295 PolarHBondContact O-ND1 3.33Å; T292-H295 PolarHBondContact O-N 2.57Å; H295-A299 WeakPolarHBondContact O-CB 3.32Å; H295-A299 PolarHBondContact O-N 3.14Å |
| 296 | I | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.8 | -49.4 | 169.9 | -72.9 | 163.7 | 0 | 0 | 0 | 110.7 | T220 V240 V271 I279 A281 T292 I293 A298 A299 C300 | T220-I296 HydrophobicContact CG2-CG2 4.05Å; V240-I296 HydrophobicContact CB-CG1 4.34Å; V240-I296 HydrophobicContact CG1-CD1 4.19Å; V240-I296 HydrophobicContact CG1-CG1 3.59Å; V240-I296 HydrophobicContact CG2-CB 4.45Å; V240-I296 HydrophobicContact CG2-CG1 3.66Å; V271-I296 HydrophobicContact CB-CD1 4.29Å; V271-I296 HydrophobicContact CG1-CD1 3.5Å; V271-I296 VanDerWaalsContact CG1-CD1 3.5Å; V271-I296 HydrophobicContact CG1-CG1 4.35Å; V271-I296 HydrophobicContact CG2-CD1 3.81Å; I279-I296 HydrophobicContact CB-CG2 4.3Å; I279-I296 HydrophobicContact CD1-CG2 3.67Å; I279-I296 HydrophobicContact CG2-CD1 4.05Å; I279-I296 HydrophobicContact CG2-CG2 4Å; A281-I296 HydrophobicContact CB-CD1 4.29Å; T292-I296 HydrophobicContact CG2-CD1 3.73Å; T292-I296 HydrophobicContact CG2-CG1 4.46Å; T292-I296 VanDerWaalsContact O-CG1 3.28Å; T292-I296 WeakPolarHBondContact O-CG1 3.13Å; T292-I296 PolarHBondContact O-N 3.47Å; I293-I296 HydrophobicContact CD1-CD1 4.11Å; I293-I296 HydrophobicContact CD1-CG2 4.49Å; I293-I296 PolarHBondContact O-N 3.22Å; I296-A298 PolarHBondContact O-N 3.15Å; I296-A299 PolarHBondContact O-N 3.41Å; I296-C300 WeakPolarHBondContact O-CB 3.28Å; I296-C300 PolarHBondContact O-N 3.04Å; I296-C300 PolarHBondContact O-SG 2.98Å |
| 297 | Q | 95.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.7 | -49.1 | -178.7 | 171.7 | 60.4 | 14.2 | 0 | 0 | 111.2 | W136 L215 T217 I293 Y294 C300 Q301 | W136-Q297 HydrophobicContact CH2-CB 4.35Å; W136-Q297 HydrophobicContact CH2-CG 4.43Å; W136-Q297 HydrophobicContact CZ2-CB 4.09Å; W136-Q297 HydrophobicContact CZ2-CG 3.69Å; L215-Q297 HydrophobicContact CD2-CB 4.07Å; L215-Q297 HydrophobicContact CD2-CG 4.46Å; L215-Q297 VanDerWaalsContact CD2-OE1 3.28Å; T217-Q297 PolarHBondContact OG1-OE1 2.82Å; I293-Q297 WeakPolarHBondContact O-CB 3.36Å; I293-Q297 PolarHBondContact O-N 2.95Å; Y294-Q297 PolarHBondContact O-N 3.5Å; Q297-C300 PolarHBondContact O-N 3.07Å; Q297-Q301 VanDerWaalsContact NE2-NE2 3.12Å; Q297-Q301 WeakPolarHBondContact O-CG 3.33Å; Q297-Q301 PolarHBondContact O-N 3.01Å |
| 298 | A | 95.9 | Very high | 94.9 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 19% | 0.19 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -46.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E236 Y294 I296 C300 Q301 I302 | E236-A298 HydrophobicContact CB-CB 4.39Å; E236-A298 HydrophobicContact CG-CB 4Å; Y294-A298 PolarHBondContact O-N 3.29Å; I296-A298 PolarHBondContact O-N 3.15Å; A298-C300 VanDerWaalsContact C-N 3.33Å; A298-C300 PolarHBondContact O-N 3.37Å; A298-Q301 PolarHBondContact O-N 3.18Å; A298-I302 WeakPolarHBondContact O-CD1 3.48Å; A298-I302 VanDerWaalsContact O-CG1 3.26Å; A298-I302 WeakPolarHBondContact O-CG1 3.45Å; A298-I302 PolarHBondContact O-N 3.24Å |
| 299 | A | 95.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L230 E236 A237 H295 I296 I302 Q303 | L230-A299 HydrophobicContact CD1-CB 4.05Å; E236-A299 HydrophobicContact CB-CB 4.1Å; A237-A299 HydrophobicContact CB-CB 3.92Å; H295-A299 WeakPolarHBondContact O-CB 3.32Å; H295-A299 PolarHBondContact O-N 3.14Å; I296-A299 PolarHBondContact O-N 3.41Å; A299-I302 PolarHBondContact O-N 3.14Å; A299-Q303 WeakPolarHBondContact O-CB 3.41Å; A299-Q303 PolarHBondContact O-N 3.11Å |
| 300 | C | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.1 | -41.3 | 177.1 | -64.9 | 0 | 0 | 0 | 0 | 112 | A219 T220 V223 I296 Q297 A298 Q303 V304 | A219-C300 HydrophobicContact CB-CB 4.08Å; T220-C300 HydrophobicContact CG2-CB 4.13Å; V223-C300 HydrophobicContact CB-CB 4.37Å; V223-C300 HydrophobicContact CG2-CB 3.84Å; I296-C300 WeakPolarHBondContact O-CB 3.28Å; I296-C300 PolarHBondContact O-N 3.04Å; I296-C300 PolarHBondContact O-SG 2.98Å; Q297-C300 PolarHBondContact O-N 3.07Å; A298-C300 VanDerWaalsContact C-N 3.33Å; A298-C300 PolarHBondContact O-N 3.37Å; C300-Q303 PolarHBondContact O-N 3.01Å; C300-V304 WeakPolarHBondContact O-CG2 3.44Å; C300-V304 PolarHBondContact O-N 3.08Å |
| 301 | Q | 95.9 | Very high | 94 | Very high | 96 Ų | 96 | 39.7 Ų | 39.7 | 45% | 0.449 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.6 | -74 | 175.1 | -44.3 | 0 | 0 | 111.8 | A219 Q297 A298 S305 | A219-Q301 HydrophobicContact CB-CG 3.72Å; Q297-Q301 VanDerWaalsContact NE2-NE2 3.12Å; Q297-Q301 WeakPolarHBondContact O-CG 3.33Å; Q297-Q301 PolarHBondContact O-N 3.01Å; A298-Q301 PolarHBondContact O-N 3.18Å; Q301-S305 WeakPolarHBondContact O-CB 3.46Å; Q301-S305 PolarHBondContact O-N 3.37Å; Q301-S305 VanDerWaalsContact O-N 3.12Å; Q301-S305 PolarHBondContact O-OG 3.49Å |
| 302 | I | 95.6 | Very high | 93.5 | Very high | 66 Ų | 66 | 39.8 Ų | 39.8 | 34% | 0.338 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.5 | -48.2 | 175.1 | -66.3 | 162.6 | 0 | 0 | 0 | 110.4 | E236 A298 A299 V304 S305 A306 | E236-I302 HydrophobicContact CG-CD1 4.49Å; E236-I302 WeakPolarHBondContact OE2-CD1 3.38Å; A298-I302 WeakPolarHBondContact O-CD1 3.48Å; A298-I302 VanDerWaalsContact O-CG1 3.26Å; A298-I302 WeakPolarHBondContact O-CG1 3.45Å; A298-I302 PolarHBondContact O-N 3.24Å; A299-I302 PolarHBondContact O-N 3.14Å; I302-V304 PolarHBondContact O-N 3.5Å; I302-S305 PolarHBondContact O-N 3.33Å; I302-A306 WeakPolarHBondContact O-CB 3.49Å; I302-A306 PolarHBondContact O-N 3.01Å |
| 303 | Q | 95.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | -179.5 | 172.2 | 169.2 | -24.5 | 0 | 0 | 112.8 | V223 M226 G229 L233 A299 C300 A306 L307 | V223-Q303 HydrophobicContact CG2-CB 4.43Å; V223-Q303 HydrophobicContact CG2-CG 4.24Å; M226-Q303 HydrophobicContact SD-CG 4.46Å; M226-Q303 PolarHBondContact SD-NE2 3.35Å; G229-Q303 PolarHBondContact O-NE2 3.15Å; G229-Q303 PolarHBondContact O-OE1 3.36Å; L233-Q303 HydrophobicContact CD1-CB 3.93Å; L233-Q303 HydrophobicContact CD1-CG 3.81Å; A299-Q303 WeakPolarHBondContact O-CB 3.41Å; A299-Q303 PolarHBondContact O-N 3.11Å; C300-Q303 PolarHBondContact O-N 3.01Å; Q303-A306 PolarHBondContact O-N 3.33Å; Q303-L307 HydrophobicContact CG-CD1 3.7Å; Q303-L307 HydrophobicContact CG-CG 4.41Å; Q303-L307 WeakPolarHBondContact O-CB 3.43Å; Q303-L307 WeakPolarHBondContact O-CG 3.43Å; Q303-L307 PolarHBondContact O-N 3.24Å |
| 304 | V | 94.8 | Very high | 92.7 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | A222 V223 M226 C300 I302 A306 L307 C308 | A222-V304 HydrophobicContact CB-CG2 4.06Å; V223-V304 HydrophobicContact CG2-CG2 3.98Å; M226-V304 HydrophobicContact CE-CG2 3.94Å; C300-V304 WeakPolarHBondContact O-CG2 3.44Å; C300-V304 PolarHBondContact O-N 3.08Å; I302-V304 PolarHBondContact O-N 3.5Å; V304-A306 VanDerWaalsContact C-N 3.34Å; V304-A306 PolarHBondContact O-N 3.04Å; V304-L307 PolarHBondContact O-N 2.99Å; V304-C308 WeakPolarHBondContact O-CB 3.48Å; V304-C308 PolarHBondContact O-N 3.23Å; V304-C308 PolarHBondContact O-SG 2.74Å |
| 305 | S | 94.6 | Very high | 92.4 | Very high | 71 Ų | 71 | 51.8 Ų | 51.8 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 179.4 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | Q301 I302 S309 | Q301-S305 WeakPolarHBondContact O-CB 3.46Å; Q301-S305 PolarHBondContact O-N 3.37Å; Q301-S305 VanDerWaalsContact O-N 3.12Å; Q301-S305 PolarHBondContact O-OG 3.49Å; I302-S305 PolarHBondContact O-N 3.33Å; S305-S309 WeakPolarHBondContact O-CB 3.23Å; S305-S309 PolarHBondContact O-N 3.4Å; S305-S309 VanDerWaalsContact O-N 3.13Å; S305-S309 PolarHBondContact O-OG 2.91Å |
| 306 | A | 94.2 | Very high | 92.2 | Very high | 25 Ų | 25 | 52.1 Ų | 52.1 | 21% | 0.207 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I302 Q303 V304 C308 S309 S310 L316 | I302-A306 WeakPolarHBondContact O-CB 3.49Å; I302-A306 PolarHBondContact O-N 3.01Å; Q303-A306 PolarHBondContact O-N 3.33Å; V304-A306 VanDerWaalsContact C-N 3.34Å; V304-A306 PolarHBondContact O-N 3.04Å; A306-C308 PolarHBondContact O-N 2.75Å; A306-S309 CarbonylContact O-C 3.59Å; A306-S309 PolarHBondContact O-N 3.41Å; A306-S310 WeakPolarHBondContact O-CB 3.4Å; A306-S310 PolarHBondContact O-N 2.99Å; A306-S310 PolarHBondContact O-OG 2.78Å; A306-L316 HydrophobicContact CB-CD1 4.31Å; A306-L316 HydrophobicContact CB-CD2 3.99Å |
| 307 | L | 92.6 | Very high | 92 | Very high | 29 Ų | 29 | 59.3 Ų | 59.3 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 178.5 | -74.5 | 167.2 | 0 | 0 | 0 | 112.4 | M226 Q303 V304 S309 G311 E313 L316 | M226-L307 HydrophobicContact CE-CD1 3.8Å; M226-L307 HydrophobicContact SD-CD1 3.54Å; M226-L307 VanDerWaalsContact SD-CD1 3.54Å; Q303-L307 HydrophobicContact CG-CD1 3.7Å; Q303-L307 HydrophobicContact CG-CG 4.41Å; Q303-L307 WeakPolarHBondContact O-CB 3.43Å; Q303-L307 WeakPolarHBondContact O-CG 3.43Å; Q303-L307 PolarHBondContact O-N 3.24Å; V304-L307 PolarHBondContact O-N 2.99Å; L307-S309 VanDerWaalsContact C-N 3.25Å; L307-S309 PolarHBondContact O-N 3.03Å; L307-G311 PolarHBondContact O-N 2.85Å; L307-E313 HydrophobicContact CD2-CB 3.91Å; L307-L316 HydrophobicContact CD2-CD1 3.59Å; L307-L316 HydrophobicContact CG-CD1 3.94Å |
| 308 | C | 90.5 | Very high | 91.8 | Very high | 108 Ų | 108 | 63.2 Ų | 63.2 | 73% | 0.73 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.3 | -30.7 | 172.8 | -70.4 | 0 | 0 | 0 | 0 | 112.8 | V304 A306 | V304-C308 WeakPolarHBondContact O-CB 3.48Å; V304-C308 PolarHBondContact O-N 3.23Å; V304-C308 PolarHBondContact O-SG 2.74Å; A306-C308 PolarHBondContact O-N 2.75Å |
| 309 | S | 91.3 | Very high | 91.4 | Very high | 106 Ų | 106 | 64.4 Ų | 64.4 | 74% | 0.741 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -88.3 | -30 | -178.8 | -54.9 | 0 | 0 | 0 | 0 | 113.5 | S305 A306 L307 | S305-S309 WeakPolarHBondContact O-CB 3.23Å; S305-S309 PolarHBondContact O-N 3.4Å; S305-S309 VanDerWaalsContact O-N 3.13Å; S305-S309 PolarHBondContact O-OG 2.91Å; A306-S309 CarbonylContact O-C 3.59Å; A306-S309 PolarHBondContact O-N 3.41Å; L307-S309 VanDerWaalsContact C-N 3.25Å; L307-S309 PolarHBondContact O-N 3.03Å |
| 310 | S | 90.9 | Very high | 90.9 | Very high | 25 Ų | 25 | 68.1 Ų | 68.1 | 18% | 0.175 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -88.4 | -14.5 | -176.8 | 70 | 0 | 0 | 0 | 0 | 113.9 | A306 G312 N315 L316 | A306-S310 WeakPolarHBondContact O-CB 3.4Å; A306-S310 PolarHBondContact O-N 2.99Å; A306-S310 PolarHBondContact O-OG 2.78Å; S310-G312 PolarHBondContact O-N 3.2Å; S310-G312 PolarHBondContact OG-N 2.89Å; S310-G312 PolarHBondContact OG-O 3.36Å; S310-N315 WeakPolarHBondContact O-CB 3.33Å; S310-N315 PolarHBondContact O-ND2 3.05Å; S310-L316 VanDerWaalsContact CB-CD2 3.49Å |
| 311 | G | 84.2 | Confident | 90.1 | Very high | 74 Ų | 74 | 72 Ų | 72 | 76% | 0.763 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 12.9 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | L307 | L307-G311 PolarHBondContact O-N 2.85Š|
| 312 | G | 84.6 | Confident | 89.2 | Confident | 25 Ų | 25 | 70.6 Ų | 70.6 | 26% | 0.258 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 146.5 | 165.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S310 H314 N315 | S310-G312 PolarHBondContact O-N 3.2Å; S310-G312 PolarHBondContact OG-N 2.89Å; S310-G312 PolarHBondContact OG-O 3.36Å; G312-H314 VanDerWaalsContact C-N 3.34Å; G312-H314 PolarHBondContact O-N 3.4Å; G312-N315 PolarHBondContact O-N 3.41Å |
| 313 | E | 86.3 | Confident | 88.4 | Confident | 73 Ų | 73 | 73.6 Ų | 73.6 | 34% | 0.341 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -66.8 | -29.2 | -174.8 | 60.7 | 179.7 | -145.8 | 0 | 0 | 113.9 | S228 L231 L307 N315 L316 | S228-E313 VanDerWaalsContact CB-OE2 3.25Å; S228-E313 WeakPolarHBondContact CB-OE2 3.34Å; S228-E313 PolarHBondContact OG-OE2 2.81Å; L231-E313 HydrophobicContact CD1-CB 4.44Å; L307-E313 HydrophobicContact CD2-CB 3.91Å; E313-N315 PolarHBondContact O-N 2.95Å; E313-L316 PolarHBondContact O-N 3.45Å; E313-L316 VanDerWaalsContact O-N 3.16Å |
| 314 | H | 86.2 | Confident | 87.1 | Confident | 170 Ų | 170 | 78.2 Ų | 78.2 | 79% | 0.787 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -68.4 | -17.8 | -178.9 | -51.3 | -33 | 0 | 0 | 0 | 113.8 | G312 | G312-H314 VanDerWaalsContact C-N 3.34Å; G312-H314 PolarHBondContact O-N 3.4Å |
| 315 | N | 89.5 | Confident | 85.6 | Confident | 121 Ų | 121 | 83.9 Ų | 83.9 | 65% | 0.647 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -94.6 | 6.2 | 178.2 | -67.3 | -16.8 | 0 | 0 | 0 | 112.5 | S310 G312 E313 | S310-N315 WeakPolarHBondContact O-CB 3.33Å; S310-N315 PolarHBondContact O-ND2 3.05Å; G312-N315 PolarHBondContact O-N 3.41Å; E313-N315 PolarHBondContact O-N 2.95Å |
| 316 | L | 91.1 | Very high | 84.1 | Confident | 36 Ų | 36 | 82.5 Ų | 82.5 | 19% | 0.188 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -104 | 141.6 | -179.1 | -63.8 | 178.5 | 0 | 0 | 0 | 112.1 | L233 A306 L307 S310 E313 M318 | L233-L316 HydrophobicContact CD1-CD1 3.78Å; L233-L316 HydrophobicContact CD2-CB 3.67Å; L233-L316 HydrophobicContact CD2-CD1 3.76Å; L233-L316 HydrophobicContact CD2-CG 4.27Å; L233-L316 HydrophobicContact CG-CD1 4.45Å; A306-L316 HydrophobicContact CB-CD1 4.31Å; A306-L316 HydrophobicContact CB-CD2 3.99Å; L307-L316 HydrophobicContact CD2-CD1 3.59Å; L307-L316 HydrophobicContact CG-CD1 3.94Å; S310-L316 VanDerWaalsContact CB-CD2 3.49Å; E313-L316 PolarHBondContact O-N 3.45Å; E313-L316 VanDerWaalsContact O-N 3.16Å; L316-M318 PolarHBondContact O-N 3.29Å |
| 317 | I | 90.7 | Very high | 82.4 | Confident | 150 Ų | 150 | 88.1 Ų | 88.1 | 77% | 0.769 | 49% | 0.493 | S | S | * | . | trans | -84.6 | 112.5 | 174.7 | -60.1 | 171.9 | 0 | 0 | 0 | 108.4 | ||||
| 318 | M | 90.6 | Very high | 80.6 | Confident | 88 Ų | 88 | 91.4 Ų | 91.4 | 43% | 0.433 | 52% | 0.517 | S | S | . | . | trans | -79.8 | 136.2 | 175.1 | -63 | -66.8 | -159.8 | 0 | 0 | 111.2 | L231 P232 L233 L316 | L231-M318 HydrophobicContact CB-CE 4.33Å; L231-M318 HydrophobicContact CB-SD 4.3Å; L231-M318 HydrophobicContact CD1-CE 4.03Å; L231-M318 HydrophobicContact CD2-CE 3.76Å; L231-M318 HydrophobicContact CG-CE 4.25Å; P232-M318 HydrophobicContact CG-SD 4.18Å; L233-M318 HydrophobicContact CD2-SD 3.78Å; L233-M318 HydrophobicContact CG-SD 4.44Å; L316-M318 PolarHBondContact O-N 3.29Å | ||
| 319 | L | 89.1 | Confident | 78.7 | Confident | 49 Ų | 49 | 88.4 Ų | 88.4 | 26% | 0.257 | 50% | 0.495 | S | S | . | . | trans | -86.4 | 128.9 | 173.5 | -56.5 | 175.8 | 0 | 0 | 0 | 110.5 | P232 L238 R321 | P232-L319 WeakPolarHBondContact O-CB 3.48Å; P232-L319 PolarHBondContact O-N 2.85Å; L238-L319 HydrophobicContact CD1-CB 4.01Å; L238-L319 HydrophobicContact CD1-CD1 3.76Å; L238-L319 HydrophobicContact CD2-CB 4.36Å; L238-L319 HydrophobicContact CG-CD1 4.4Å; L319-R321 PolarHBondContact O-N 3.09Å | ||
| 320 | D | 84.2 | Confident | 76.6 | Confident | 79 Ų | 79 | 84.7 Ų | 84.7 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | trans | -72.7 | 115.1 | 174.5 | -178.6 | 9.4 | 0 | 0 | 0 | 111.2 | A322 I323 H324 | D320-A322 PolarHBondContact O-N 3.29Å; D320-A322 VanDerWaalsContact O-N 3.16Å; D320-A322 WeakPolarHBondContact OD1-CB 3.45Å; D320-A322 PolarHBondContact OD1-N 2.98Å; D320-I323 HydrophobicContact CB-CB 4.26Å; D320-I323 HydrophobicContact CB-CD1 4.11Å; D320-I323 HydrophobicContact CB-CG1 4.3Å; D320-I323 PolarHBondContact O-N 2.98Å; D320-I323 WeakPolarHBondContact OD2-CD1 3.19Å; D320-I323 WeakPolarHBondContact OD2-CG1 3.4Å; D320-H324 PolarHBondContact O-N 3.47Å | ||
| 321 | R | 80.6 | Confident | 74.2 | Confident | 82 Ų | 82 | 88.8 Ų | 88.8 | 31% | 0.309 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.3 | 172.7 | -76 | 178.6 | 165.4 | -131.7 | -12 | 114 | P232 A237 L238 G241 D242 L319 K325 | P232-R321 HydrophobicContact CB-CG 4.34Å; A237-R321 PolarHBondContact O-NH2 2.89Å; L238-R321 HydrophobicContact CD2-CB 4.44Å; L238-R321 HydrophobicContact CD2-CG 3.56Å; G241-R321 VanDerWaalsContact O-CZ 3.23Å; G241-R321 PolarHBondContact O-NH1 2.87Å; G241-R321 PolarHBondContact O-NH2 3.39Å; D242-R321 IonicContact OD1-NH1 3.09Å; D242-R321 PolarHBondContact OD1-NH1 3.43Å; L319-R321 PolarHBondContact O-N 3.09Å; R321-K325 VanDerWaalsContact O-CE 3.27Å; R321-K325 WeakPolarHBondContact O-CE 3.41Å; R321-K325 WeakPolarHBondContact O-CG 3.33Å |
| 322 | A | 76.9 | Confident | 72.3 | Confident | 67 Ų | 67 | 88.7 Ų | 88.7 | 55% | 0.554 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -40.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D320 | D320-A322 PolarHBondContact O-N 3.29Å; D320-A322 VanDerWaalsContact O-N 3.16Å; D320-A322 WeakPolarHBondContact OD1-CB 3.45Å; D320-A322 PolarHBondContact OD1-N 2.98Å |
| 323 | I | 77.3 | Confident | 70.3 | Confident | 128 Ų | 128 | 92.3 Ų | 92.3 | 66% | 0.656 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -48.8 | 179.4 | -65.6 | 168.2 | 0 | 0 | 0 | 110.8 | D320 K325 | D320-I323 HydrophobicContact CB-CB 4.26Å; D320-I323 HydrophobicContact CB-CD1 4.11Å; D320-I323 HydrophobicContact CB-CG1 4.3Å; D320-I323 PolarHBondContact O-N 2.98Å; D320-I323 WeakPolarHBondContact OD2-CD1 3.19Å; D320-I323 WeakPolarHBondContact OD2-CG1 3.4Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 2.93Å |
| 324 | H | 69.1 | Low | 68.2 | Low | 98 Ų | 98 | 99.1 Ų | 99.1 | 45% | 0.454 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -95.1 | 36.8 | -172.9 | -60.9 | -79 | 0 | 0 | 0 | 112.7 | L238 D320 P326 | L238-H324 HydrophobicContact CD1-CB 3.63Å; D320-H324 PolarHBondContact O-N 3.47Å; H324-P326 VanDerWaalsContact O-CD 3.27Å; H324-P326 WeakPolarHBondContact O-CD 3.2Å; H324-P326 VanDerWaalsContact O-N 3.11Å |
| 325 | K | 63.9 | Low | 65.9 | Low | 158 Ų | 158 | 94.3 Ų | 94.3 | 69% | 0.687 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -59 | 118 | 176 | -74.4 | -165.2 | 178 | -163.4 | 0 | 109.8 | R321 I323 N327 | R321-K325 VanDerWaalsContact O-CE 3.27Å; R321-K325 WeakPolarHBondContact O-CE 3.41Å; R321-K325 WeakPolarHBondContact O-CG 3.33Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 2.93Å; K325-N327 PolarHBondContact O-N 3.43Å |
| 326 | P | 62.3 | Low | 63.8 | Low | 42 Ų | 42 | 89.9 Ų | 89.9 | 27% | 0.273 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 136.9 | 172.3 | 25.9 | -31.7 | 0 | 0 | 0 | 108.6 | L239 H324 | L239-P326 HydrophobicContact CD2-CB 3.51Å; L239-P326 HydrophobicContact CD2-CG 4Å; L239-P326 HydrophobicContact CG-CB 4.28Å; L239-P326 HydrophobicContact CG-CG 4.5Å; H324-P326 VanDerWaalsContact O-CD 3.27Å; H324-P326 WeakPolarHBondContact O-CD 3.2Å; H324-P326 VanDerWaalsContact O-N 3.11Å |
| 327 | N | 58.8 | Low | 61.7 | Low | 142 Ų | 142 | 94.5 Ų | 94.5 | 76% | 0.759 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 127.9 | 178.3 | -142.6 | 1 | 0 | 0 | 0 | 107.8 | K325 T329 | K325-N327 PolarHBondContact O-N 3.43Å; N327-T329 PolarHBondContact O-N 3.04Å |
| 328 | P | 55.1 | Low | 59.8 | Low | 99 Ų | 99 | 92.9 Ų | 92.9 | 64% | 0.643 | 53% | 0.531 | S | S | * | . | trans | -58.5 | 115.1 | -169.5 | 20.5 | -32.7 | 0 | 0 | 0 | 111.5 | G330 | P328-G330 PolarHBondContact O-N 3.33Š| ||
| 329 | T | 49.8 | Very low | 57.8 | Low | 45 Ų | 45 | 96.3 Ų | 96.3 | 28% | 0.276 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 100.5 | -172.1 | -47 | 0 | 0 | 0 | 0 | 110.4 | Y291 N327 T347 | Y291-T329 HydrophobicContact CE2-CG2 4.32Å; Y291-T329 PolarHBondContact OH-OG1 3.13Å; N327-T329 PolarHBondContact O-N 3.04Å; T329-T347 WeakPolarHBondContact O-CA 3.39Å; T329-T347 PolarHBondContact O-N 3.21Å; T329-T347 PolarHBondContact O-OG1 3.47Å |
| 330 | G | 46.7 | Very low | 55.8 | Low | 28 Ų | 28 | 96.9 Ų | 96.9 | 29% | 0.289 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 162 | -11.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P328 S345 | P328-G330 PolarHBondContact O-N 3.33Å; G330-S345 VanDerWaalsContact CA-O 3.27Å; G330-S345 WeakPolarHBondContact CA-O 3.49Å |
| 331 | T | 41.6 | Very low | 53.9 | Low | 111 Ų | 111 | 99.4 Ų | 99.4 | 68% | 0.681 | 58% | 0.582 | S | S | * | * | trans | -100.7 | 73.5 | 170.3 | -43.9 | 0 | 0 | 0 | 0 | 110.9 | S333 | T331-S333 PolarHBondContact O-N 3.45Š| ||
| 332 | V | 43.3 | Very low | 52.5 | Low | 71 Ų | 71 | 101.6 Ų | 101.6 | 43% | 0.43 | 60% | 0.6 | S | S | . | * | trans | -71.5 | 83.6 | 171.3 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | W334 | V332-W334 PolarHBondContact O-N 2.83Š| ||
| 333 | S | 42.8 | Very low | 51.5 | Low | 101 Ų | 101 | 105.4 Ų | 105.4 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | trans | -97.5 | 66.3 | 177.1 | 179 | 0 | 0 | 0 | 0 | 111.3 | T331 | T331-S333 PolarHBondContact O-N 3.45Š| ||
| 334 | W | 43.3 | Very low | 50.7 | Low | 217 Ų | 217 | 108 Ų | 108 | 82% | 0.822 | 61% | 0.612 | S | S | * | * | trans | -175.8 | 122.7 | 136.9 | -165 | -128.3 | 0 | 0 | 0 | 112.6 | V332 | V332-W334 PolarHBondContact O-N 2.83Š| ||
| 335 | A | 38.2 | Very low | 50.7 | Low | 68 Ų | 68 | 103.8 Ų | 103.8 | 56% | 0.562 | 59% | 0.594 | S | S | * | * | trans | -149.1 | 103.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | S337 | A335-S337 PolarHBondContact O-N 3.13Š| ||
| 336 | G | 45.1 | Very low | 51.6 | Low | 29 Ų | 29 | 102.7 Ų | 102.7 | 30% | 0.299 | 59% | 0.585 | S | S | . | * | trans | -66.7 | 122.2 | -162 | 0 | 0 | 0 | 0 | 0 | 115 | T338 | G336-T338 PolarHBondContact O-N 3.09Å; G336-T338 PolarHBondContact O-OG1 3.4Å | ||
| 337 | S | 45.8 | Very low | 52.7 | Low | 133 Ų | 133 | 102.5 Ų | 102.5 | 93% | 0.93 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 56.5 | -9.3 | 158 | -139.5 | 0 | 0 | 0 | 0 | 120.1 | A335 | A335-S337 PolarHBondContact O-N 3.13Š|
| 338 | T | 51.6 | Low | 54 | Low | 115 Ų | 115 | 95.8 Ų | 95.8 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -120.3 | -14.4 | -164 | 46.9 | 0 | 0 | 0 | 0 | 114.6 | G336 | G336-T338 PolarHBondContact O-N 3.09Å; G336-T338 PolarHBondContact O-OG1 3.4Å |
| 339 | F | 47.3 | Very low | 55.7 | Low | 160 Ų | 160 | 92.7 Ų | 92.7 | 70% | 0.702 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -108.7 | 147.2 | 174.3 | -66.6 | -91 | 0 | 0 | 0 | 110.1 | ||
| 340 | G | 48.4 | Very low | 57.4 | Low | 62 Ų | 62 | 93.7 Ų | 93.7 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | trans | -74.2 | -161.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L342 | G340-L342 PolarHBondContact O-N 3.39Š| ||
| 341 | P | 43.8 | Very low | 59.5 | Low | 131 Ų | 131 | 95.9 Ų | 95.9 | 85% | 0.851 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -49.2 | 121.9 | -177.3 | -29.4 | 36.3 | 0 | 0 | 0 | 113.1 | H343 | P341-H343 PolarHBondContact O-N 3.18Š|
| 342 | L | 50.6 | Low | 61.9 | Low | 129 Ų | 129 | 90.6 Ų | 90.6 | 68% | 0.675 | 50% | 0.496 | S | S | * | . | trans | -62.5 | 106.2 | -172 | -177.1 | 66.9 | 0 | 0 | 0 | 111.3 | G340 K344 | G340-L342 PolarHBondContact O-N 3.39Å; L342-K344 PolarHBondContact O-N 2.8Å | ||
| 343 | H | 56 | Low | 64.2 | Low | 147 Ų | 147 | 87.4 Ų | 87.4 | 68% | 0.681 | 48% | 0.477 | S | S | * | . | trans | -64.8 | 117.8 | 165.5 | -104.7 | -77 | 0 | 0 | 0 | 109 | P341 S345 | P341-H343 PolarHBondContact O-N 3.18Å; H343-S345 PolarHBondContact O-N 2.88Å | ||
| 344 | K | 62.1 | Low | 66.5 | Low | 181 Ų | 181 | 84.3 Ų | 84.3 | 79% | 0.787 | 46% | 0.457 | S | S | * | . | trans | -58.3 | 134.1 | 166.9 | -64.1 | -175.3 | 179.3 | -175.5 | 0 | 108.9 | L342 R371 | L342-K344 PolarHBondContact O-N 2.8Å; K344-R371 PolarHBondContact O-NH2 3.18Å; K344-R371 VanDerWaalsContact O-NH2 3.14Å | ||
| 345 | S | 67.6 | Low | 68.9 | Low | 10 Ų | 10 | 75.4 Ų | 75.4 | 7% | 0.07 | 43% | 0.426 | C | S | . | . | trans | -106.3 | 142.6 | 175.4 | -139.1 | 0 | 0 | 0 | 0 | 108.4 | G330 H343 E349 H350 R371 | G330-S345 VanDerWaalsContact CA-O 3.27Å; G330-S345 WeakPolarHBondContact CA-O 3.49Å; H343-S345 PolarHBondContact O-N 2.88Å; S345-E349 WeakPolarHBondContact CA-OE2 3.29Å; S345-E349 PolarHBondContact OG-OE2 2.98Å; S345-H350 WeakPolarHBondContact CB-NE2 3.36Å; S345-H350 PolarHBondContact OG-CD2 3.05Å; S345-H350 VanDerWaalsContact OG-CD2 3.25Å; S345-H350 PolarHBondContact OG-CE1 2.92Å; S345-H350 PolarHBondContact OG-NE2 3.29Å; S345-R371 PolarHBondContact OG-NH1 3.19Å | ||
| 346 | R | 82.9 | Confident | 71.6 | Confident | 136 Ų | 136 | 72.2 Ų | 72.2 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | trans | -83.5 | 161 | 170.5 | -57.8 | 176 | 167.9 | -116.1 | 1.2 | 110 | E284 G348 E349 | E284-R346 IonicContact OE2-CZ 3.85Å; E284-R346 IonicContact OE2-NH1 2.86Å; E284-R346 PolarHBondContact OE2-NH1 2.93Å; R346-G348 PolarHBondContact O-N 3.39Å; R346-E349 HydrophobicContact CB-CG 3.91Å; R346-E349 WeakPolarHBondContact CD-OE1 3.48Å; R346-E349 PolarHBondContact N-OE2 2.83Å; R346-E349 WeakPolarHBondContact O-CB 3.46Å; R346-E349 PolarHBondContact O-N 2.88Å; R346-E349 VanDerWaalsContact O-N 3.13Å | ||
| 347 | T | 85.5 | Confident | 73.8 | Confident | 38 Ų | 38 | 74 Ų | 74 | 23% | 0.233 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.9 | 126.1 | 170 | -49.2 | 0 | 0 | 0 | 0 | 111.1 | Y291 T329 E349 | Y291-T347 HydrophobicContact CD1-CG2 3.45Å; Y291-T347 VanDerWaalsContact CD1-CG2 3.45Å; Y291-T347 HydrophobicContact CE1-CG2 3.61Å; Y291-T347 HydrophobicContact CG-CG2 3.94Å; T329-T347 WeakPolarHBondContact O-CA 3.39Å; T329-T347 PolarHBondContact O-N 3.21Å; T329-T347 PolarHBondContact O-OG1 3.47Å; T347-E349 VanDerWaalsContact C-N 3.3Å; T347-E349 PolarHBondContact O-N 3.24Å |
| 348 | G | 87.4 | Confident | 75.9 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -11.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | R346 H350 E351 F352 | R346-G348 PolarHBondContact O-N 3.39Å; G348-H350 VanDerWaalsContact C-N 3.31Å; G348-H350 PolarHBondContact O-N 3.38Å; G348-E351 WeakPolarHBondContact CA-OE2 3.5Å; G348-E351 PolarHBondContact O-N 3.05Å; G348-F352 WeakPolarHBondContact O-CB 3.36Å; G348-F352 PolarHBondContact O-N 3.44Å |
| 349 | E | 89.1 | Confident | 77.9 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 16% | 0.159 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.9 | -32.5 | -175.2 | -78.8 | -179 | 162.8 | 0 | 0 | 113.2 | E287 S345 R346 T347 E353 R371 | E287-E349 HydrophobicContact CB-CG 4.33Å; E287-E349 HydrophobicContact CG-CG 4.29Å; S345-E349 WeakPolarHBondContact CA-OE2 3.29Å; S345-E349 PolarHBondContact OG-OE2 2.98Å; R346-E349 HydrophobicContact CB-CG 3.91Å; R346-E349 WeakPolarHBondContact CD-OE1 3.48Å; R346-E349 PolarHBondContact N-OE2 2.83Å; R346-E349 WeakPolarHBondContact O-CB 3.46Å; R346-E349 PolarHBondContact O-N 2.88Å; R346-E349 VanDerWaalsContact O-N 3.13Å; T347-E349 VanDerWaalsContact C-N 3.3Å; T347-E349 PolarHBondContact O-N 3.24Å; E349-E353 VanDerWaalsContact O-CB 3.23Å; E349-E353 WeakPolarHBondContact O-CB 3.31Å; E349-E353 PolarHBondContact O-N 3.45Å; E349-R371 IonicContact OE2-CZ 2.61Å; E349-R371 IonicContact OE2-NH1 2.66Å; E349-R371 PolarHBondContact OE2-NH1 3.11Å; E349-R371 IonicContact OE2-NH2 3.5Å |
| 350 | H | 86.8 | Confident | 79.9 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -81.2 | -39.3 | 179.7 | -70.1 | -62.9 | 0 | 0 | 0 | 112.3 | S345 G348 E353 A354 F372 | S345-H350 WeakPolarHBondContact CB-NE2 3.36Å; S345-H350 PolarHBondContact OG-CD2 3.05Å; S345-H350 VanDerWaalsContact OG-CD2 3.25Å; S345-H350 PolarHBondContact OG-CE1 2.92Å; S345-H350 PolarHBondContact OG-NE2 3.29Å; G348-H350 VanDerWaalsContact C-N 3.31Å; G348-H350 PolarHBondContact O-N 3.38Å; H350-E353 PolarHBondContact O-N 3.18Å; H350-A354 WeakPolarHBondContact O-CB 3.43Å; H350-A354 PolarHBondContact O-N 3.18Å; H350-F372 AromaticContact CE1-CE2 3.79Å |
| 351 | E | 89.9 | Confident | 81.8 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 35% | 0.346 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.2 | -48.3 | 179 | -60.8 | 85.4 | 163.3 | 0 | 0 | 109.8 | Y291 G348 A354 L355 | Y291-E351 HydrophobicContact CD2-CG 4.22Å; Y291-E351 HydrophobicContact CE2-CG 4.25Å; Y291-E351 WeakPolarHBondContact CE2-OE1 3.48Å; G348-E351 WeakPolarHBondContact CA-OE2 3.5Å; G348-E351 PolarHBondContact O-N 3.05Å; E351-A354 WeakPolarHBondContact O-CB 3.37Å; E351-A354 PolarHBondContact O-N 3.32Å; E351-L355 WeakPolarHBondContact O-CG 3.28Å; E351-L355 PolarHBondContact O-N 2.99Å |
| 352 | F | 93.4 | Very high | 84 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 174.9 | -163.5 | -88.9 | 0 | 0 | 0 | 111.3 | K123 M286 E287 F290 G348 A354 L355 M356 Y368 | K123-F352 HydrophobicContact CB-CZ 4.45Å; K123-F352 HydrophobicContact CG-CE1 4.21Å; M286-F352 HydrophobicContact CG-CE2 4.21Å; M286-F352 HydrophobicContact CG-CZ 4.1Å; E287-F352 HydrophobicContact CB-CB 3.97Å; E287-F352 HydrophobicContact CB-CG 4.26Å; E287-F352 HydrophobicContact CG-CB 3.75Å; E287-F352 HydrophobicContact CG-CD1 3.9Å; E287-F352 HydrophobicContact CG-CD2 4.48Å; E287-F352 HydrophobicContact CG-CG 3.8Å; F290-F352 HydrophobicContact CB-CD2 3.97Å; F290-F352 HydrophobicContact CB-CE2 4.15Å; F290-F352 HydrophobicContact CD1-CD2 4.11Å; F290-F352 HydrophobicContact CD2-CE2 4.44Å; F290-F352 AromaticContact CG-CD2 3.99Å; F290-F352 HydrophobicContact CG-CD2 3.99Å; F290-F352 HydrophobicContact CG-CE2 4.14Å; G348-F352 WeakPolarHBondContact O-CB 3.36Å; G348-F352 PolarHBondContact O-N 3.44Å; F352-A354 PolarHBondContact O-N 3.36Å; F352-L355 PolarHBondContact O-N 2.98Å; F352-L355 VanDerWaalsContact O-N 3.07Å; F352-M356 HydrophobicContact CD1-CE 4.01Å; F352-M356 HydrophobicContact CD1-CG 3.91Å; F352-M356 HydrophobicContact CD1-SD 4.2Å; F352-M356 HydrophobicContact CE1-CE 3.52Å; F352-M356 HydrophobicContact CE1-CG 3.87Å; F352-M356 HydrophobicContact CE1-SD 3.56Å; F352-M356 VanDerWaalsContact CE1-SD 3.56Å; F352-M356 HydrophobicContact CE2-CE 4.14Å; F352-M356 HydrophobicContact CZ-CE 3.59Å; F352-M356 HydrophobicContact CZ-SD 4.1Å; F352-M356 WeakPolarHBondContact O-CG 3.38Å; F352-M356 PolarHBondContact O-N 3.49Å; F352-Y368 AromaticContact CD1-CE2 3.84Å; F352-Y368 HydrophobicContact CD1-CE2 3.84Å; F352-Y368 HydrophobicContact CE1-CD2 4.32Å; F352-Y368 AromaticContact CE1-CE2 3.86Å; F352-Y368 HydrophobicContact CE1-CE2 3.86Å |
| 353 | E | 91.4 | Very high | 85.8 | Confident | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.8 | -30.5 | 175.6 | -171.4 | 174.3 | 138.1 | 0 | 0 | 112.4 | E349 H350 R357 Y368 Y370 R371 F372 | E349-E353 VanDerWaalsContact O-CB 3.23Å; E349-E353 WeakPolarHBondContact O-CB 3.31Å; E349-E353 PolarHBondContact O-N 3.45Å; H350-E353 PolarHBondContact O-N 3.18Å; E353-R357 PolarHBondContact O-N 3.48Å; E353-R357 IonicContact OE1-NH1 2.96Å; E353-Y368 HydrophobicContact CB-CE1 4.1Å; E353-Y368 HydrophobicContact CG-CD1 4.4Å; E353-Y368 HydrophobicContact CG-CE1 3.77Å; E353-Y370 HydrophobicContact CG-CD1 3.53Å; E353-Y370 HydrophobicContact CG-CE1 4.02Å; E353-R371 VanDerWaalsContact CD-N 3.33Å; E353-R371 PolarHBondContact OE1-N 3.09Å; E353-R371 VanDerWaalsContact OE1-N 3.08Å; E353-R371 WeakPolarHBondContact OE2-CB 3.24Å; E353-R371 WeakPolarHBondContact OE2-CG 3.47Å; E353-R371 PolarHBondContact OE2-N 3.41Å; E353-F372 PolarHBondContact OE1-N 3.25Å |
| 354 | A | 90.6 | Very high | 87.4 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 30% | 0.298 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.5 | -41.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H350 E351 F352 M356 R357 T358 | H350-A354 WeakPolarHBondContact O-CB 3.43Å; H350-A354 PolarHBondContact O-N 3.18Å; E351-A354 WeakPolarHBondContact O-CB 3.37Å; E351-A354 PolarHBondContact O-N 3.32Å; F352-A354 PolarHBondContact O-N 3.36Å; A354-M356 VanDerWaalsContact C-N 3.34Å; A354-M356 PolarHBondContact O-N 2.91Å; A354-R357 VanDerWaalsContact CA-NH2 3.35Å; A354-R357 WeakPolarHBondContact O-CB 3.45Å; A354-R357 PolarHBondContact O-N 2.9Å; A354-T358 PolarHBondContact O-N 3.16Å; A354-T358 VanDerWaalsContact O-N 3.14Å; A354-T358 PolarHBondContact O-OG1 3.38Å |
| 355 | L | 93.6 | Very high | 88.7 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67 | -34.1 | 176.8 | -65.8 | 173 | 0 | 0 | 0 | 112.6 | L130 Y134 F290 E351 F352 R357 T358 L359 | L130-L355 HydrophobicContact CD1-CB 4.07Å; L130-L355 HydrophobicContact CD1-CD1 4.24Å; L130-L355 HydrophobicContact CD2-CB 4.2Å; L130-L355 HydrophobicContact CD2-CD2 4.44Å; Y134-L355 VanDerWaalsContact OH-CD2 3.26Å; Y134-L355 WeakPolarHBondContact OH-CD2 3.45Å; F290-L355 HydrophobicContact CD1-CD1 4.15Å; F290-L355 HydrophobicContact CE1-CD1 3.3Å; F290-L355 HydrophobicContact CZ-CD1 3.86Å; E351-L355 WeakPolarHBondContact O-CG 3.28Å; E351-L355 PolarHBondContact O-N 2.99Å; F352-L355 PolarHBondContact O-N 2.98Å; F352-L355 VanDerWaalsContact O-N 3.07Å; L355-R357 VanDerWaalsContact C-N 3.33Å; L355-R357 PolarHBondContact O-N 3.38Å; L355-T358 WeakPolarHBondContact O-CB 3.37Å; L355-T358 PolarHBondContact O-N 3.41Å; L355-T358 VanDerWaalsContact O-N 3.15Å; L355-L359 PolarHBondContact O-N 3.27Å |
| 356 | M | 94.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 172.3 | -60.2 | -61.4 | 100.2 | 0 | 0 | 111.6 | L130 F352 A354 T358 L359 D360 T366 Y368 Y370 | L130-M356 HydrophobicContact CD1-CE 3.73Å; F352-M356 HydrophobicContact CD1-CE 4.01Å; F352-M356 HydrophobicContact CD1-CG 3.91Å; F352-M356 HydrophobicContact CD1-SD 4.2Å; F352-M356 HydrophobicContact CE1-CE 3.52Å; F352-M356 HydrophobicContact CE1-CG 3.87Å; F352-M356 HydrophobicContact CE1-SD 3.56Å; F352-M356 VanDerWaalsContact CE1-SD 3.56Å; F352-M356 HydrophobicContact CE2-CE 4.14Å; F352-M356 HydrophobicContact CZ-CE 3.59Å; F352-M356 HydrophobicContact CZ-SD 4.1Å; F352-M356 WeakPolarHBondContact O-CG 3.38Å; F352-M356 PolarHBondContact O-N 3.49Å; A354-M356 VanDerWaalsContact C-N 3.34Å; A354-M356 PolarHBondContact O-N 2.91Å; M356-T358 VanDerWaalsContact C-N 3.3Å; M356-T358 PolarHBondContact O-N 3.45Å; M356-L359 HydrophobicContact CE-CD1 3.72Å; M356-L359 PolarHBondContact O-N 2.91Å; M356-L359 HydrophobicContact SD-CD1 4.3Å; M356-D360 PolarHBondContact O-N 2.74Å; M356-T366 HydrophobicContact CB-CG2 4.4Å; M356-T366 HydrophobicContact SD-CG2 3.94Å; M356-Y368 HydrophobicContact CB-CD1 4.24Å; M356-Y368 HydrophobicContact CB-CD2 4.33Å; M356-Y368 HydrophobicContact CB-CG 3.95Å; M356-Y368 HydrophobicContact CG-CD1 4.15Å; M356-Y368 HydrophobicContact CG-CD2 3.49Å; M356-Y368 VanDerWaalsContact CG-CD2 3.49Å; M356-Y368 HydrophobicContact CG-CE2 3.89Å; M356-Y368 HydrophobicContact CG-CG 3.61Å; M356-Y368 HydrophobicContact SD-CD2 3.96Å; M356-Y368 HydrophobicContact SD-CG 4.4Å; M356-Y370 HydrophobicContact CB-CE1 3.98Å; M356-Y370 WeakPolarHBondContact CB-OH 3.36Å; M356-Y370 PolarHBondContact O-OH 3.03Å; M356-Y370 VanDerWaalsContact O-OH 3.12Å |
| 357 | R | 91.2 | Very high | 90 | Very high | 67 Ų | 67 | 42.6 Ų | 42.6 | 25% | 0.253 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.3 | -38.8 | 172.8 | -67.7 | -173.8 | -70.2 | -95.4 | 0.5 | 111.7 | E353 A354 L355 D360 N361 Y370 | E353-R357 PolarHBondContact O-N 3.48Å; E353-R357 IonicContact OE1-NH1 2.96Å; A354-R357 VanDerWaalsContact CA-NH2 3.35Å; A354-R357 WeakPolarHBondContact O-CB 3.45Å; A354-R357 PolarHBondContact O-N 2.9Å; L355-R357 VanDerWaalsContact C-N 3.33Å; L355-R357 PolarHBondContact O-N 3.38Å; R357-D360 PolarHBondContact O-N 3.38Å; R357-N361 WeakPolarHBondContact O-CB 3.48Å; R357-N361 PolarHBondContact O-N 3.04Å; R357-N361 PolarHBondContact O-ND2 3.37Å; R357-Y370 HydrophobicContact CB-CE1 4.44Å; R357-Y370 HydrophobicContact CG-CD1 3.99Å; R357-Y370 HydrophobicContact CG-CE1 3.38Å; R357-Y370 PolarHBondContact N-OH 2.75Å |
| 358 | T | 90.6 | Very high | 90.2 | Very high | 71 Ų | 71 | 41.8 Ų | 41.8 | 44% | 0.436 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63 | -46.8 | 175.3 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | A354 L355 M356 N361 L362 | A354-T358 PolarHBondContact O-N 3.16Å; A354-T358 VanDerWaalsContact O-N 3.14Å; A354-T358 PolarHBondContact O-OG1 3.38Å; L355-T358 WeakPolarHBondContact O-CB 3.37Å; L355-T358 PolarHBondContact O-N 3.41Å; L355-T358 VanDerWaalsContact O-N 3.15Å; M356-T358 VanDerWaalsContact C-N 3.3Å; M356-T358 PolarHBondContact O-N 3.45Å; T358-N361 PolarHBondContact O-N 3.33Å; T358-L362 HydrophobicContact CG2-CD1 4.12Å; T358-L362 WeakPolarHBondContact O-CB 3.31Å; T358-L362 VanDerWaalsContact O-CG 3.32Å; T358-L362 WeakPolarHBondContact O-CG 3.43Å; T358-L362 PolarHBondContact O-N 3.19Å |
| 359 | L | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.3 | -69.7 | 178.4 | 0 | 0 | 0 | 112.5 | I102 R129 L130 L133 L355 M356 N361 L362 G363 Y364 T366 | I102-L359 HydrophobicContact CD1-CD1 4.28Å; R129-L359 HydrophobicContact CB-CD2 4.37Å; L130-L359 HydrophobicContact CD1-CD1 4.39Å; L130-L359 HydrophobicContact CD2-CD1 4.37Å; L130-L359 HydrophobicContact CD2-CD2 4.12Å; L130-L359 HydrophobicContact CD2-CG 4.2Å; L130-L359 HydrophobicContact CG-CD1 4.1Å; L130-L359 HydrophobicContact CG-CD2 4.41Å; L130-L359 HydrophobicContact CG-CG 4.45Å; L133-L359 HydrophobicContact CD1-CD2 3.62Å; L355-L359 PolarHBondContact O-N 3.27Å; M356-L359 HydrophobicContact CE-CD1 3.72Å; M356-L359 PolarHBondContact O-N 2.91Å; M356-L359 HydrophobicContact SD-CD1 4.3Å; L359-N361 VanDerWaalsContact C-N 3.34Å; L359-N361 PolarHBondContact O-N 2.9Å; L359-L362 PolarHBondContact O-N 2.95Å; L359-G363 PolarHBondContact O-N 3.47Å; L359-G363 VanDerWaalsContact O-N 3.15Å; L359-Y364 HydrophobicContact CB-CD2 4.29Å; L359-Y364 HydrophobicContact CD2-CD2 3.78Å; L359-Y364 HydrophobicContact CD2-CE2 4.1Å; L359-Y364 HydrophobicContact CD2-CG 4.25Å; L359-Y364 WeakPolarHBondContact O-CB 3.46Å; L359-Y364 WeakPolarHBondContact O-CD2 3.45Å; L359-Y364 PolarHBondContact O-N 3.07Å; L359-T366 HydrophobicContact CB-CG2 3.55Å; L359-T366 HydrophobicContact CD1-CG2 3.76Å; L359-T366 HydrophobicContact CG-CG2 4.33Å |
| 360 | D | 90.8 | Very high | 89.8 | Confident | 36 Ų | 36 | 46.2 Ų | 46.2 | 19% | 0.193 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -38.7 | 178.5 | -80 | -12 | 0 | 0 | 0 | 112.3 | M356 R357 G363 R365 T366 Y370 | M356-D360 PolarHBondContact O-N 2.74Å; R357-D360 PolarHBondContact O-N 3.38Å; D360-G363 PolarHBondContact O-N 3.01Å; D360-R365 PolarHBondContact O-NH1 2.93Å; D360-R365 WeakPolarHBondContact OD1-CA 3.19Å; D360-T366 WeakPolarHBondContact OD1-CB 3.35Å; D360-T366 WeakPolarHBondContact OD1-CG2 3.48Å; D360-T366 PolarHBondContact OD1-N 2.99Å; D360-T366 PolarHBondContact OD1-OG1 3.36Å; D360-T366 PolarHBondContact OD2-OG1 2.98Å; D360-Y370 WeakPolarHBondContact OD2-CE2 3.33Å; D360-Y370 PolarHBondContact OD2-OH 2.77Å |
| 361 | N | 88.3 | Confident | 89.3 | Confident | 108 Ų | 108 | 47.2 Ų | 47.2 | 58% | 0.578 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -65.8 | -38.6 | 173.9 | -74.9 | -22.9 | 0 | 0 | 0 | 112.3 | R357 T358 L359 G363 | R357-N361 WeakPolarHBondContact O-CB 3.48Å; R357-N361 PolarHBondContact O-N 3.04Å; R357-N361 PolarHBondContact O-ND2 3.37Å; T358-N361 PolarHBondContact O-N 3.33Å; L359-N361 VanDerWaalsContact C-N 3.34Å; L359-N361 PolarHBondContact O-N 2.9Å; N361-G363 PolarHBondContact O-N 2.98Å |
| 362 | L | 88.7 | Confident | 88.3 | Confident | 95 Ų | 95 | 48.5 Ų | 48.5 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.7 | -8.3 | 174.7 | -72.5 | 171.4 | 0 | 0 | 0 | 113.6 | L133 T358 L359 Y364 | L133-L362 HydrophobicContact CD1-CD1 4.21Å; T358-L362 HydrophobicContact CG2-CD1 4.12Å; T358-L362 WeakPolarHBondContact O-CB 3.31Å; T358-L362 VanDerWaalsContact O-CG 3.32Å; T358-L362 WeakPolarHBondContact O-CG 3.43Å; T358-L362 PolarHBondContact O-N 3.19Å; L359-L362 PolarHBondContact O-N 2.95Å; L362-Y364 HydrophobicContact CB-CD2 3.76Å; L362-Y364 HydrophobicContact CB-CE2 3.77Å; L362-Y364 HydrophobicContact CD1-CE2 4.19Å |
| 363 | G | 88.5 | Confident | 86.7 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 108.7 | -9.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L359 D360 N361 R365 | L359-G363 PolarHBondContact O-N 3.47Å; L359-G363 VanDerWaalsContact O-N 3.15Å; D360-G363 PolarHBondContact O-N 3.01Å; N361-G363 PolarHBondContact O-N 2.98Å; G363-R365 VanDerWaalsContact C-N 3.25Å; G363-R365 PolarHBondContact O-N 3.48Å; G363-R365 VanDerWaalsContact O-N 3.11Å |
| 364 | Y | 89.9 | Confident | 84.9 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | trans | -68.5 | -11.5 | -169.7 | -68.6 | -86.9 | 0 | 0 | 0 | 115.8 | V99 P101 I102 R129 L133 L359 L362 T366 | V99-Y364 HydrophobicContact CG1-CD1 3.24Å; V99-Y364 HydrophobicContact CG1-CD2 4.16Å; V99-Y364 HydrophobicContact CG1-CE1 3.39Å; V99-Y364 HydrophobicContact CG1-CE2 4.29Å; V99-Y364 HydrophobicContact CG1-CG 3.65Å; P101-Y364 CarbonylContact C-O 3.6Å; P101-Y364 WeakPolarHBondContact CA-O 3.37Å; I102-Y364 HydrophobicContact CD1-CD1 4.4Å; I102-Y364 HydrophobicContact CD1-CG 4.32Å; I102-Y364 PolarHBondContact N-O 3.39Å; R129-Y364 HydrophobicContact CB-CD1 4.47Å; R129-Y364 HydrophobicContact CB-CE1 4.37Å; R129-Y364 HydrophobicContact CG-CD1 4.12Å; R129-Y364 HydrophobicContact CG-CE1 4.21Å; L133-Y364 HydrophobicContact CD1-CE2 4.02Å; L359-Y364 HydrophobicContact CB-CD2 4.29Å; L359-Y364 HydrophobicContact CD2-CD2 3.78Å; L359-Y364 HydrophobicContact CD2-CE2 4.1Å; L359-Y364 HydrophobicContact CD2-CG 4.25Å; L359-Y364 WeakPolarHBondContact O-CB 3.46Å; L359-Y364 WeakPolarHBondContact O-CD2 3.45Å; L359-Y364 PolarHBondContact O-N 3.07Å; L362-Y364 HydrophobicContact CB-CD2 3.76Å; L362-Y364 HydrophobicContact CB-CE2 3.77Å; L362-Y364 HydrophobicContact CD1-CE2 4.19Å; Y364-T366 PolarHBondContact O-N 3.24Å | ||
| 365 | R | 90 | Very high | 83.2 | Confident | 147 Ų | 147 | 63.5 Ų | 63.5 | 56% | 0.555 | 34% | 0.338 | S | S | * | . | trans | 42.3 | 67.1 | 179.2 | -54.8 | -57 | -175.6 | -103.5 | -11.9 | 112.8 | P101 N103 D360 G363 G367 | P101-R365 HydrophobicContact CB-CB 4Å; P101-R365 HydrophobicContact CB-CG 4.44Å; N103-R365 VanDerWaalsContact CB-O 3.28Å; N103-R365 WeakPolarHBondContact CB-O 3.22Å; N103-R365 PolarHBondContact N-O 3.47Å; D360-R365 PolarHBondContact O-NH1 2.93Å; D360-R365 WeakPolarHBondContact OD1-CA 3.19Å; G363-R365 VanDerWaalsContact C-N 3.25Å; G363-R365 PolarHBondContact O-N 3.48Å; G363-R365 VanDerWaalsContact O-N 3.11Å; R365-G367 PolarHBondContact O-N 3.37Å; R365-G367 VanDerWaalsContact O-N 3.16Å | ||
| 366 | T | 91.5 | Very high | 80.9 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | trans | -51.8 | -34.4 | 179.8 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | I102 C122 M356 L359 D360 Y364 Y368 | I102-T366 HydrophobicContact CD1-CG2 4.08Å; C122-T366 VanDerWaalsContact CB-O 3.28Å; C122-T366 WeakPolarHBondContact CB-O 3.37Å; C122-T366 PolarHBondContact SG-O 2.74Å; M356-T366 HydrophobicContact CB-CG2 4.4Å; M356-T366 HydrophobicContact SD-CG2 3.94Å; L359-T366 HydrophobicContact CB-CG2 3.55Å; L359-T366 HydrophobicContact CD1-CG2 3.76Å; L359-T366 HydrophobicContact CG-CG2 4.33Å; D360-T366 WeakPolarHBondContact OD1-CB 3.35Å; D360-T366 WeakPolarHBondContact OD1-CG2 3.48Å; D360-T366 PolarHBondContact OD1-N 2.99Å; D360-T366 PolarHBondContact OD1-OG1 3.36Å; D360-T366 PolarHBondContact OD2-OG1 2.98Å; Y364-T366 PolarHBondContact O-N 3.24Å; T366-Y368 WeakPolarHBondContact OG1-CB 3.48Å; T366-Y368 PolarHBondContact OG1-N 3.43Å; T366-Y368 VanDerWaalsContact OG1-N 3.12Å | ||
| 367 | G | 86.5 | Confident | 78.4 | Confident | 38 Ų | 38 | 74.6 Ų | 74.6 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | trans | 70.3 | 19.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R365 | R365-G367 PolarHBondContact O-N 3.37Å; R365-G367 VanDerWaalsContact O-N 3.16Å | ||
| 368 | Y | 89.1 | Confident | 76.1 | Confident | 22 Ų | 22 | 81.3 Ų | 81.3 | 9% | 0.086 | 42% | 0.417 | C | S | . | . | trans | -69.5 | 140.8 | -179.2 | -169.4 | -89.3 | 0 | 0 | 0 | 112.3 | K123 F352 E353 M356 T366 Y370 | K123-Y368 HydrophobicContact CD-CE2 4.12Å; K123-Y368 HydrophobicContact CG-CD2 4.11Å; K123-Y368 HydrophobicContact CG-CE2 4.15Å; F352-Y368 AromaticContact CD1-CE2 3.84Å; F352-Y368 HydrophobicContact CD1-CE2 3.84Å; F352-Y368 HydrophobicContact CE1-CD2 4.32Å; F352-Y368 AromaticContact CE1-CE2 3.86Å; F352-Y368 HydrophobicContact CE1-CE2 3.86Å; E353-Y368 HydrophobicContact CB-CE1 4.1Å; E353-Y368 HydrophobicContact CG-CD1 4.4Å; E353-Y368 HydrophobicContact CG-CE1 3.77Å; M356-Y368 HydrophobicContact CB-CD1 4.24Å; M356-Y368 HydrophobicContact CB-CD2 4.33Å; M356-Y368 HydrophobicContact CB-CG 3.95Å; M356-Y368 HydrophobicContact CG-CD1 4.15Å; M356-Y368 HydrophobicContact CG-CD2 3.49Å; M356-Y368 VanDerWaalsContact CG-CD2 3.49Å; M356-Y368 HydrophobicContact CG-CE2 3.89Å; M356-Y368 HydrophobicContact CG-CG 3.61Å; M356-Y368 HydrophobicContact SD-CD2 3.96Å; M356-Y368 HydrophobicContact SD-CG 4.4Å; T366-Y368 WeakPolarHBondContact OG1-CB 3.48Å; T366-Y368 PolarHBondContact OG1-N 3.43Å; T366-Y368 VanDerWaalsContact OG1-N 3.12Å; Y368-Y370 HydrophobicContact CD1-CD1 4.01Å; Y368-Y370 AromaticContact CD1-CE1 3.96Å; Y368-Y370 HydrophobicContact CD1-CE1 3.96Å; Y368-Y370 HydrophobicContact CD1-CG 4.37Å; Y368-Y370 WeakPolarHBondContact O-CD2 3.21Å; Y368-Y370 PolarHBondContact O-N 3.09Å | ||
| 369 | A | 84.8 | Confident | 73.7 | Confident | 68 Ų | 68 | 84.1 Ų | 84.1 | 56% | 0.562 | 43% | 0.434 | S | S | * | . | trans | -89.4 | 94.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 370 | Y | 84.2 | Confident | 71.3 | Confident | 59 Ų | 59 | 94.9 Ų | 94.9 | 23% | 0.231 | 48% | 0.475 | C | S | . | . | trans | -63.2 | 131.6 | 179.2 | -64.2 | -73.7 | 0 | 0 | 0 | 112.8 | E353 M356 R357 D360 Y368 | E353-Y370 HydrophobicContact CG-CD1 3.53Å; E353-Y370 HydrophobicContact CG-CE1 4.02Å; M356-Y370 HydrophobicContact CB-CE1 3.98Å; M356-Y370 WeakPolarHBondContact CB-OH 3.36Å; M356-Y370 PolarHBondContact O-OH 3.03Å; M356-Y370 VanDerWaalsContact O-OH 3.12Å; R357-Y370 HydrophobicContact CB-CE1 4.44Å; R357-Y370 HydrophobicContact CG-CD1 3.99Å; R357-Y370 HydrophobicContact CG-CE1 3.38Å; R357-Y370 PolarHBondContact N-OH 2.75Å; D360-Y370 WeakPolarHBondContact OD2-CE2 3.33Å; D360-Y370 PolarHBondContact OD2-OH 2.77Å; Y368-Y370 HydrophobicContact CD1-CD1 4.01Å; Y368-Y370 AromaticContact CD1-CE1 3.96Å; Y368-Y370 HydrophobicContact CD1-CE1 3.96Å; Y368-Y370 HydrophobicContact CD1-CG 4.37Å; Y368-Y370 WeakPolarHBondContact O-CD2 3.21Å; Y368-Y370 PolarHBondContact O-N 3.09Å | ||
| 371 | R | 75.4 | Confident | 69 | Low | 86 Ų | 86 | 98.9 Ų | 98.9 | 33% | 0.325 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -81 | -32.5 | 171.7 | -59.9 | 168.4 | 74.5 | -178.8 | 13.1 | 111.1 | K344 S345 E349 E353 P373 | K344-R371 PolarHBondContact O-NH2 3.18Å; K344-R371 VanDerWaalsContact O-NH2 3.14Å; S345-R371 PolarHBondContact OG-NH1 3.19Å; E349-R371 IonicContact OE2-CZ 2.61Å; E349-R371 IonicContact OE2-NH1 2.66Å; E349-R371 PolarHBondContact OE2-NH1 3.11Å; E349-R371 IonicContact OE2-NH2 3.5Å; E353-R371 VanDerWaalsContact CD-N 3.33Å; E353-R371 PolarHBondContact OE1-N 3.09Å; E353-R371 VanDerWaalsContact OE1-N 3.08Å; E353-R371 WeakPolarHBondContact OE2-CB 3.24Å; E353-R371 WeakPolarHBondContact OE2-CG 3.47Å; E353-R371 PolarHBondContact OE2-N 3.41Å; R371-P373 WeakPolarHBondContact O-CD 3.32Å |
| 372 | F | 68.4 | Low | 66.6 | Low | 102 Ų | 102 | 105.2 Ų | 105.2 | 45% | 0.447 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -119.6 | 71.9 | 175.8 | -59.3 | -84.5 | 0 | 0 | 0 | 109.5 | H350 E353 V374 | H350-F372 AromaticContact CE1-CE2 3.79Å; E353-F372 PolarHBondContact OE1-N 3.25Å; F372-V374 PolarHBondContact O-N 3.49Å |
| 373 | P | 60.4 | Low | 64.3 | Low | 92 Ų | 92 | 110.1 Ų | 110.1 | 60% | 0.597 | 53% | 0.529 | S | S | * | . | trans | -61.3 | 131 | 172.7 | 27.4 | -33.7 | 0 | 0 | 0 | 109.6 | R371 | R371-P373 WeakPolarHBondContact O-CD 3.32Š| ||
| 374 | V | 52.8 | Low | 62.1 | Low | 113 Ų | 113 | 118.7 Ų | 118.7 | 69% | 0.685 | 56% | 0.563 | S | S | * | * | trans | 71.9 | 92.4 | -177.8 | -164.9 | 0 | 0 | 0 | 0 | 115.6 | F372 | F372-V374 PolarHBondContact O-N 3.49Š| ||
| 375 | L | 54.5 | Low | 59.9 | Low | 149 Ų | 149 | 122.9 Ų | 122.9 | 78% | 0.78 | 59% | 0.592 | S | S | * | * | trans | -105.8 | 2.5 | 133.5 | -74.5 | 177.8 | 0 | 0 | 0 | 112 | E377 | L375-E377 VanDerWaalsContact C-N 3.29Å; L375-E377 PolarHBondContact O-N 3.29Å | ||
| 376 | L | 47.2 | Very low | 57.6 | Low | 89 Ų | 89 | 122.4 Ų | 122.4 | 47% | 0.466 | 60% | 0.596 | S | S | . | * | trans | -83 | 75.5 | 176.6 | -165 | 76.9 | 0 | 0 | 0 | 109.9 | R378 | L376-R378 HydrophobicContact CD2-CG 3.96Å; L376-R378 HydrophobicContact CG-CG 4.2Å; L376-R378 PolarHBondContact O-N 2.92Å | ||
| 377 | E | 41.3 | Very low | 55.3 | Low | 175 Ų | 175 | 127.5 Ų | 127.5 | 82% | 0.818 | 63% | 0.626 | S | S | * | * | trans | -62.8 | 93.6 | 154.6 | -175.8 | 166.6 | -123.7 | 0 | 0 | 106.8 | L375 T379 | L375-E377 VanDerWaalsContact C-N 3.29Å; L375-E377 PolarHBondContact O-N 3.29Å; E377-T379 PolarHBondContact O-N 3.15Å | ||
| 378 | R | 43.2 | Very low | 52.8 | Low | 208 Ų | 208 | 130.8 Ų | 130.8 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | trans | -57.1 | 108.5 | 172.1 | -87.2 | -177.2 | 167.7 | 161.2 | -4.3 | 106.8 | L376 R380 | L376-R378 HydrophobicContact CD2-CG 3.96Å; L376-R378 HydrophobicContact CG-CG 4.2Å; L376-R378 PolarHBondContact O-N 2.92Å; R378-R380 VanDerWaalsContact C-N 3.31Å; R378-R380 PolarHBondContact O-N 3.09Å | ||
| 379 | T | 40.1 | Very low | 50.3 | Low | 131 Ų | 131 | 134.5 Ų | 134.5 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | trans | -56.3 | 98.7 | 170.2 | 36.7 | 0 | 0 | 0 | 0 | 107.8 | E377 T381 | E377-T379 PolarHBondContact O-N 3.15Å; T379-T381 PolarHBondContact O-N 2.9Å | ||
| 380 | R | 40.8 | Very low | 48 | Very low | 225 Ų | 225 | 136.9 Ų | 136.9 | 85% | 0.849 | 68% | 0.684 | S | S | * | * | trans | -54.3 | 118.6 | 167.8 | -75.9 | -178.8 | 170.3 | -172.7 | -3.6 | 105.6 | R378 R382 | R378-R380 VanDerWaalsContact C-N 3.31Å; R378-R380 PolarHBondContact O-N 3.09Å; R380-R382 PolarHBondContact O-N 3.05Å | ||
| 381 | T | 42.8 | Very low | 45.7 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | trans | -51.7 | 115.7 | 169.5 | 42.5 | 0 | 0 | 0 | 0 | 106.8 | T379 R383 | T379-T381 PolarHBondContact O-N 2.9Å; T381-R383 PolarHBondContact O-N 2.83Å | ||
| 382 | R | 39 | Very low | 43.7 | Very low | 241 Ų | 241 | 141.6 Ų | 141.6 | 91% | 0.909 | 73% | 0.728 | S | S | * | * | trans | -61.3 | 101.7 | 179.1 | -86.9 | -172.4 | 170.1 | -166 | -1.9 | 107.1 | R380 E384 | R380-R382 PolarHBondContact O-N 3.05Å; R382-E384 PolarHBondContact O-N 3.26Å | ||
| 383 | R | 40.2 | Very low | 41.9 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 75% | 0.751 | 74% | 0.737 | S | S | * | * | trans | -69 | 117 | 162.9 | -68 | -177.2 | 175.4 | -179.5 | -2.3 | 105.4 | T381 V385 | T381-R383 PolarHBondContact O-N 2.83Å; R383-V385 PolarHBondContact O-N 3.31Å; R383-V385 VanDerWaalsContact O-N 3.14Å | ||
| 384 | E | 41.7 | Very low | 40.5 | Very low | 200 Ų | 200 | 146.6 Ų | 146.6 | 94% | 0.935 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -64.9 | -15 | 179.8 | -60.3 | -174 | 140.9 | 0 | 0 | 112.3 | R382 | R382-E384 PolarHBondContact O-N 3.26Š|
| 385 | V | 44.3 | Very low | 39.6 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -112.1 | 107.5 | 164.4 | -175.9 | 0 | 0 | 0 | 0 | 109 | R383 V387 | R383-V385 PolarHBondContact O-N 3.31Å; R383-V385 VanDerWaalsContact O-N 3.14Å; V385-V387 PolarHBondContact O-N 3.43Å |
| 386 | E | 41.5 | Very low | 38.5 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 64% | 0.64 | 75% | 0.75 | S | S | * | * | trans | -82.7 | 107.3 | 170.8 | -170 | 158.4 | -143.1 | 0 | 0 | 108.7 | W422 | E386-W422 VanDerWaalsContact OE2-CH2 3.3Å; E386-W422 WeakPolarHBondContact OE2-CH2 3.45Å | ||
| 387 | V | 42.8 | Very low | 37.7 | Very low | 107 Ų | 107 | 154.5 Ų | 154.5 | 65% | 0.648 | 77% | 0.769 | S | S | * | * | trans | -66.9 | 124.3 | -177.9 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | V385 | V385-V387 PolarHBondContact O-N 3.43Š| ||
| 388 | P | 34.9 | Very low | 37.3 | Very low | 107 Ų | 107 | 153.7 Ų | 153.7 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | -64.3 | 141.9 | -179.1 | 26.8 | -34.7 | 0 | 0 | 0 | 110.6 | T390 | P388-T390 PolarHBondContact O-N 2.86Š| ||
| 389 | A | 37 | Very low | 36.7 | Very low | 100 Ų | 100 | 151.2 Ų | 151.2 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -64 | 107.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 390 | T | 35.7 | Very low | 36.7 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | trans | -58.9 | 137.6 | 174.4 | 44.2 | 0 | 0 | 0 | 0 | 110.7 | P388 T392 | P388-T390 PolarHBondContact O-N 2.86Å; T390-T392 PolarHBondContact O-N 3.39Å | ||
| 391 | V | 35 | Very low | 36.3 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -75.1 | 88 | -163.2 | -173.8 | 0 | 0 | 0 | 0 | 112.5 | V393 | V391-V393 HydrophobicContact CG1-CG2 3.87Š| ||
| 392 | T | 33.8 | Very low | 36.1 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | trans | -110.7 | 73.5 | 167.9 | 38.7 | 0 | 0 | 0 | 0 | 111.1 | T390 F394 | T390-T392 PolarHBondContact O-N 3.39Å; T392-F394 PolarHBondContact O-N 3.04Å | ||
| 393 | V | 30.3 | Very low | 35.8 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | -79.1 | 83.5 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | V391 H395 | V391-V393 HydrophobicContact CG1-CG2 3.87Å; V393-H395 PolarHBondContact O-N 3.23Å | ||
| 394 | F | 32.7 | Very low | 35.6 | Very low | 194 Ų | 194 | 139 Ų | 139 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -79.3 | 97.3 | 160.7 | -80.5 | -83.4 | 0 | 0 | 0 | 109.4 | T392 Q396 | T392-F394 PolarHBondContact O-N 3.04Å; F394-Q396 PolarHBondContact O-N 3.43Å | ||
| 395 | H | 32.8 | Very low | 35.3 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 123.6 | 162.7 | -94.7 | -77.3 | 0 | 0 | 0 | 109.2 | V393 | V393-H395 PolarHBondContact O-N 3.23Š|
| 396 | Q | 30.8 | Very low | 34.9 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69 | 138.3 | 167.4 | -167.4 | 168.3 | -51.6 | 0 | 0 | 108.6 | F394 | F394-Q396 PolarHBondContact O-N 3.43Š|
| 397 | F | 31.4 | Very low | 34.9 | Very low | 200 Ų | 200 | 141.3 Ų | 141.3 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 123.9 | 171.4 | -66.1 | -99.3 | 0 | 0 | 0 | 108.3 | ||
| 398 | D | 33.2 | Very low | 34.9 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 126.3 | 157.7 | -69.7 | -48.8 | 0 | 0 | 0 | 107.1 | ||
| 399 | D | 30.1 | Very low | 35.1 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -108.2 | 149.6 | 176.3 | -174.3 | 36.7 | 0 | 0 | 0 | 108.8 | G401 | D399-G401 PolarHBondContact O-N 2.93Š| ||
| 400 | D | 39.3 | Very low | 35.6 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | -74.2 | 79.9 | -166.6 | -89.5 | -52.5 | 0 | 0 | 0 | 113 | ||||
| 401 | G | 32.2 | Very low | 35.9 | Very low | 49 Ų | 49 | 146.8 Ų | 146.8 | 51% | 0.505 | 77% | 0.77 | S | S | . | * | trans | -121.8 | 111.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D399 H403 | D399-G401 PolarHBondContact O-N 2.93Å; G401-H403 PolarHBondContact O-N 3.48Å | ||
| 402 | V | 40.4 | Very low | 36.6 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 92% | 0.915 | 75% | 0.752 | S | S | * | * | trans | -72.3 | 95.3 | 179.4 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 403 | H | 31.5 | Very low | 37.2 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -118.9 | 143.6 | 171.2 | -70.7 | -68 | 0 | 0 | 0 | 112 | G401 | G401-H403 PolarHBondContact O-N 3.48Š| ||
| 404 | P | 35.4 | Very low | 38.2 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | -68.5 | 136 | -177.1 | 28 | -34.6 | 0 | 0 | 0 | 111.6 | L406 | P404-L406 PolarHBondContact O-N 3.38Š| ||
| 405 | A | 35.5 | Very low | 39.2 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 85% | 0.851 | 72% | 0.717 | S | S | * | * | trans | -63 | 102.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R407 | A405-R407 PolarHBondContact O-N 3.08Š| ||
| 406 | L | 35.8 | Very low | 40.2 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | -61.6 | 132 | 160.7 | -73.3 | 171.5 | 0 | 0 | 0 | 109 | P404 Q408 | P404-L406 PolarHBondContact O-N 3.38Å; L406-Q408 PolarHBondContact O-N 3.01Å | ||
| 407 | R | 42.9 | Very low | 41.2 | Very low | 238 Ų | 238 | 135.6 Ų | 135.6 | 90% | 0.898 | 70% | 0.699 | S | S | * | * | trans | -59 | 110.8 | 178.7 | -73.3 | -178.4 | 176 | 175.5 | -1.8 | 110 | A405 H409 | A405-R407 PolarHBondContact O-N 3.08Å; R407-H409 PolarHBondContact O-N 3.34Å | ||
| 408 | Q | 42.3 | Very low | 42.2 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 72% | 0.72 | 68% | 0.677 | S | S | * | * | trans | -58.4 | 131.7 | 168.6 | -67.4 | -179.3 | -9 | 0 | 0 | 109.2 | L406 | L406-Q408 PolarHBondContact O-N 3.01Š| ||
| 409 | H | 40.1 | Very low | 42.9 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 68% | 0.676 | 67% | 0.667 | S | S | * | * | trans | -66.6 | 135.4 | 177.4 | -81.1 | -95.9 | 0 | 0 | 0 | 110 | R407 F411 A412 Q413 | R407-H409 PolarHBondContact O-N 3.34Å; H409-F411 PolarHBondContact O-N 2.96Å; H409-A412 WeakPolarHBondContact O-CB 3.3Å; H409-A412 PolarHBondContact O-N 2.89Å; H409-Q413 PolarHBondContact O-N 2.6Å | ||
| 410 | P | 45.4 | Very low | 43.8 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 63% | 0.63 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -60.8 | -21.9 | -179.3 | 23.5 | -33.7 | 0 | 0 | 0 | 113 | R414 | P410-R414 VanDerWaalsContact O-CB 3.29Å; P410-R414 WeakPolarHBondContact O-CB 3.41Å; P410-R414 PolarHBondContact O-N 2.91Å |
| 411 | F | 42.3 | Very low | 44 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 67% | 0.667 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.5 | -40.2 | 171.3 | -171.9 | -96 | 0 | 0 | 0 | 113 | H409 Q415 | H409-F411 PolarHBondContact O-N 2.96Å; F411-Q415 VanDerWaalsContact O-CB 3.31Å; F411-Q415 WeakPolarHBondContact O-CB 3.32Å; F411-Q415 PolarHBondContact O-N 3.23Å |
| 412 | A | 49.4 | Very low | 44.8 | Very low | 49 Ų | 49 | 132.4 Ų | 132.4 | 41% | 0.405 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -69.9 | -42 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H409 Q415 Q416 | H409-A412 WeakPolarHBondContact O-CB 3.3Å; H409-A412 PolarHBondContact O-N 2.89Å; A412-Q415 PolarHBondContact O-N 2.96Å; A412-Q416 PolarHBondContact O-N 3.19Å |
| 413 | Q | 47.3 | Very low | 44.9 | Very low | 101 Ų | 101 | 132 Ų | 132 | 47% | 0.472 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.4 | -42.8 | 175.6 | -167.8 | 177.6 | 30.8 | 0 | 0 | 111.5 | H409 Q416 Q417 | H409-Q413 PolarHBondContact O-N 2.6Å; Q413-Q416 PolarHBondContact O-N 2.93Å; Q413-Q417 WeakPolarHBondContact O-CG 3.28Å; Q413-Q417 PolarHBondContact O-N 3.33Å |
| 414 | R | 51.8 | Low | 45.3 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 58% | 0.581 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.2 | -43.1 | 172.9 | -179.4 | 174.1 | 170.5 | 175.1 | -3.6 | 112 | P410 Q416 Q417 E418 | P410-R414 VanDerWaalsContact O-CB 3.29Å; P410-R414 WeakPolarHBondContact O-CB 3.41Å; P410-R414 PolarHBondContact O-N 2.91Å; R414-Q416 VanDerWaalsContact C-N 3.31Å; R414-Q416 PolarHBondContact O-N 2.74Å; R414-Q417 PolarHBondContact O-N 3.31Å; R414-E418 HydrophobicContact CG-CG 4.4Å; R414-E418 IonicContact CZ-OE1 2.87Å; R414-E418 VanDerWaalsContact CZ-OE1 3.31Å; R414-E418 IonicContact NE-OE1 2.76Å; R414-E418 PolarHBondContact NE-OE1 3.27Å; R414-E418 IonicContact NH2-OE1 3.86Å; R414-E418 PolarHBondContact NH2-OE1 2.83Å; R414-E418 WeakPolarHBondContact O-CB 3.46Å; R414-E418 WeakPolarHBondContact O-CG 3.42Å; R414-E418 PolarHBondContact O-N 3.42Å |
| 415 | Q | 53.2 | Low | 45.6 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 40% | 0.397 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.1 | -31.8 | 177.4 | -169.9 | 176.7 | 88.2 | 0 | 0 | 112.4 | F411 A412 R419 | F411-Q415 VanDerWaalsContact O-CB 3.31Å; F411-Q415 WeakPolarHBondContact O-CB 3.32Å; F411-Q415 PolarHBondContact O-N 3.23Å; A412-Q415 PolarHBondContact O-N 2.96Å; Q415-R419 WeakPolarHBondContact O-CB 3.29Å; Q415-R419 VanDerWaalsContact O-CG 3.25Å; Q415-R419 WeakPolarHBondContact O-CG 3.35Å; Q415-R419 PolarHBondContact O-N 3.44Å |
| 416 | Q | 53.5 | Low | 45.9 | Very low | 120 Ų | 120 | 126 Ų | 126 | 56% | 0.561 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.9 | -45.4 | 168.6 | -79.9 | -179.8 | -40.2 | 0 | 0 | 112.1 | A412 Q413 R414 E418 R419 T420 | A412-Q416 PolarHBondContact O-N 3.19Å; Q413-Q416 PolarHBondContact O-N 2.93Å; R414-Q416 VanDerWaalsContact C-N 3.31Å; R414-Q416 PolarHBondContact O-N 2.74Å; Q416-E418 PolarHBondContact O-N 3.43Å; Q416-R419 PolarHBondContact O-N 3.14Å; Q416-T420 PolarHBondContact O-N 3.21Å; Q416-T420 PolarHBondContact O-OG1 2.88Å |
| 417 | Q | 52.1 | Low | 46.5 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.7 | -39.8 | 177.3 | -72.6 | 170.9 | -6.3 | 0 | 0 | 112.5 | Q413 R414 T420 R421 | Q413-Q417 WeakPolarHBondContact O-CG 3.28Å; Q413-Q417 PolarHBondContact O-N 3.33Å; R414-Q417 PolarHBondContact O-N 3.31Å; Q417-T420 PolarHBondContact O-N 3.06Å; Q417-T420 PolarHBondContact O-OG1 3.14Å; Q417-R421 WeakPolarHBondContact O-CB 3.4Å; Q417-R421 PolarHBondContact O-N 3.36Å |
| 418 | E | 52.3 | Low | 46.9 | Very low | 88 Ų | 88 | 114.3 Ų | 114.3 | 41% | 0.411 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67 | -39.4 | 174.3 | -72.4 | 172.7 | 176.1 | 0 | 0 | 110.8 | R414 Q416 R421 W422 | R414-E418 HydrophobicContact CG-CG 4.4Å; R414-E418 IonicContact CZ-OE1 2.87Å; R414-E418 VanDerWaalsContact CZ-OE1 3.31Å; R414-E418 IonicContact NE-OE1 2.76Å; R414-E418 PolarHBondContact NE-OE1 3.27Å; R414-E418 IonicContact NH2-OE1 3.86Å; R414-E418 PolarHBondContact NH2-OE1 2.83Å; R414-E418 WeakPolarHBondContact O-CB 3.46Å; R414-E418 WeakPolarHBondContact O-CG 3.42Å; R414-E418 PolarHBondContact O-N 3.42Å; Q416-E418 PolarHBondContact O-N 3.43Å; E418-R421 WeakPolarHBondContact O-CB 3.48Å; E418-R421 PolarHBondContact O-N 3.09Å; E418-W422 VanDerWaalsContact O-CD1 3.28Å; E418-W422 PolarHBondContact O-N 3.49Å |
| 419 | R | 48.4 | Very low | 47.4 | Very low | 167 Ų | 167 | 112.9 Ų | 112.9 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.4 | -42 | 172.9 | -80.3 | 171.6 | 164.5 | 177.8 | -4.8 | 113.7 | Q415 Q416 R421 W422 L423 | Q415-R419 WeakPolarHBondContact O-CB 3.29Å; Q415-R419 VanDerWaalsContact O-CG 3.25Å; Q415-R419 WeakPolarHBondContact O-CG 3.35Å; Q415-R419 PolarHBondContact O-N 3.44Å; Q416-R419 PolarHBondContact O-N 3.14Å; R419-R421 VanDerWaalsContact C-N 3.34Å; R419-W422 PolarHBondContact O-N 3.03Å; R419-L423 PolarHBondContact O-N 2.86Å |
| 420 | T | 48.3 | Very low | 48 | Very low | 80 Ų | 80 | 110.4 Ų | 110.4 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74.8 | -23.4 | 178.4 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | Q416 Q417 L423 N424 | Q416-T420 PolarHBondContact O-N 3.21Å; Q416-T420 PolarHBondContact O-OG1 2.88Å; Q417-T420 PolarHBondContact O-N 3.06Å; Q417-T420 PolarHBondContact O-OG1 3.14Å; T420-L423 PolarHBondContact O-N 3.48Å; T420-N424 PolarHBondContact O-ND2 3.45Å |
| 421 | R | 43.9 | Very low | 48.6 | Very low | 185 Ų | 185 | 111.3 Ų | 111.3 | 70% | 0.698 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -49 | 169.6 | -171.5 | 179.4 | -176.3 | -139.7 | 0.1 | 111.4 | Q417 E418 R419 L423 N424 T425 | Q417-R421 WeakPolarHBondContact O-CB 3.4Å; Q417-R421 PolarHBondContact O-N 3.36Å; E418-R421 WeakPolarHBondContact O-CB 3.48Å; E418-R421 PolarHBondContact O-N 3.09Å; R419-R421 VanDerWaalsContact C-N 3.34Å; R421-L423 VanDerWaalsContact C-N 3.27Å; R421-L423 PolarHBondContact O-N 2.99Å; R421-N424 PolarHBondContact O-N 3.37Å; R421-N424 VanDerWaalsContact O-N 3.1Å; R421-T425 HydrophobicContact CG-CG2 4.32Å; R421-T425 PolarHBondContact O-N 3.21Å; R421-T425 VanDerWaalsContact O-N 3.11Å; R421-T425 PolarHBondContact O-OG1 2.93Å |
| 422 | W | 47.8 | Very low | 49.6 | Very low | 149 Ų | 149 | 106.2 Ų | 106.2 | 56% | 0.564 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -31.6 | 177.9 | -83.2 | 101.2 | 0 | 0 | 0 | 113.9 | E386 E418 R419 N424 T425 | E386-W422 VanDerWaalsContact OE2-CH2 3.3Å; E386-W422 WeakPolarHBondContact OE2-CH2 3.45Å; E418-W422 VanDerWaalsContact O-CD1 3.28Å; E418-W422 PolarHBondContact O-N 3.49Å; R419-W422 PolarHBondContact O-N 3.03Å; W422-N424 PolarHBondContact O-N 3.5Å; W422-T425 PolarHBondContact O-OG1 3.21Å |
| 423 | L | 43.4 | Very low | 50.1 | Low | 143 Ų | 143 | 107 Ų | 107 | 75% | 0.749 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -12.7 | 176.8 | -79.1 | 164.1 | 0 | 0 | 0 | 114.2 | R419 T420 R421 | R419-L423 PolarHBondContact O-N 2.86Å; T420-L423 PolarHBondContact O-N 3.48Å; R421-L423 VanDerWaalsContact C-N 3.27Å; R421-L423 PolarHBondContact O-N 2.99Å |
| 424 | N | 39.5 | Very low | 50.7 | Low | 118 Ų | 118 | 108.3 Ų | 108.3 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | -2.5 | -175.1 | -65.6 | -79.9 | 0 | 0 | 0 | 114.2 | T420 R421 W422 P426 | T420-N424 PolarHBondContact O-ND2 3.45Å; R421-N424 PolarHBondContact O-N 3.37Å; R421-N424 VanDerWaalsContact O-N 3.1Å; W422-N424 PolarHBondContact O-N 3.5Å; N424-P426 WeakPolarHBondContact O-CD 3.37Å |
| 425 | T | 41.8 | Very low | 50.8 | Low | 55 Ų | 55 | 107.9 Ų | 107.9 | 34% | 0.337 | 52% | 0.52 | S | S | . | . | trans | -77.4 | 116.6 | 171.8 | 40.5 | 0 | 0 | 0 | 0 | 110.5 | R421 W422 N427 | R421-T425 HydrophobicContact CG-CG2 4.32Å; R421-T425 PolarHBondContact O-N 3.21Å; R421-T425 VanDerWaalsContact O-N 3.11Å; R421-T425 PolarHBondContact O-OG1 2.93Å; W422-T425 PolarHBondContact O-OG1 3.21Å; T425-N427 PolarHBondContact O-N 2.82Å | ||
| 426 | P | 43.2 | Very low | 50.7 | Low | 89 Ų | 89 | 109.6 Ų | 109.6 | 58% | 0.578 | 53% | 0.528 | S | S | * | . | trans | -73 | 92.6 | 175.2 | 30.5 | -33.6 | 0 | 0 | 0 | 109.5 | N424 T428 | N424-P426 WeakPolarHBondContact O-CD 3.37Å; P426-T428 PolarHBondContact O-N 2.98Å | ||
| 427 | N | 48.3 | Very low | 50.4 | Low | 73 Ų | 73 | 109.2 Ų | 109.2 | 39% | 0.39 | 55% | 0.545 | S | S | . | . | trans | -74 | 62.7 | 172.4 | -84.1 | -9.1 | 0 | 0 | 0 | 110.7 | T425 Y429 | T425-N427 PolarHBondContact O-N 2.82Å; N427-Y429 HydrophobicContact CB-CD2 4.4Å; N427-Y429 HydrophobicContact CB-CE2 4Å; N427-Y429 WeakPolarHBondContact O-CD2 3.25Å; N427-Y429 PolarHBondContact O-N 3.25Å | ||
| 428 | T | 50.5 | Low | 50.2 | Low | 79 Ų | 79 | 108 Ų | 108 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | trans | -74.1 | 113.7 | 171.1 | -44.9 | 0 | 0 | 0 | 0 | 108.2 | P426 T449 | P426-T428 PolarHBondContact O-N 2.98Å; T428-T449 WeakPolarHBondContact CB-OG1 3.42Å; T428-T449 VanDerWaalsContact CG2-OG1 3.27Å; T428-T449 WeakPolarHBondContact CG2-OG1 3.49Å; T428-T449 PolarHBondContact O-N 3.3Å; T428-T449 PolarHBondContact O-OG1 3.46Å; T428-T449 VanDerWaalsContact O-OG1 3.07Å | ||
| 429 | Y | 53.1 | Low | 49.9 | Very low | 124 Ų | 124 | 110.6 Ų | 110.6 | 49% | 0.486 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.9 | 170.3 | -72.9 | -88.9 | 0 | 0 | 0 | 108.5 | N427 L447 K448 | N427-Y429 HydrophobicContact CB-CD2 4.4Å; N427-Y429 HydrophobicContact CB-CE2 4Å; N427-Y429 WeakPolarHBondContact O-CD2 3.25Å; N427-Y429 PolarHBondContact O-N 3.25Å; Y429-L447 CarbonylContact C-O 3.57Å; Y429-L447 WeakPolarHBondContact CA-O 3.3Å; Y429-K448 HydrophobicContact CD1-CB 4.31Å; Y429-K448 HydrophobicContact CE1-CB 4.06Å; Y429-K448 HydrophobicContact CE1-CG 4.2Å |
| 430 | Q | 51.8 | Low | 50.3 | Low | 95 Ų | 95 | 106.2 Ų | 106.2 | 44% | 0.444 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.5 | 177.8 | -169.8 | 165.1 | -7.5 | 0 | 0 | 109.6 | V432 L447 L452 | Q430-V432 HydrophobicContact CG-CG2 4.5Å; Q430-V432 PolarHBondContact O-N 3.12Å; Q430-L447 PolarHBondContact N-O 3.02Å; Q430-L447 PolarHBondContact O-N 3.39Å; Q430-L452 HydrophobicContact CB-CD2 4.22Å; Q430-L452 HydrophobicContact CG-CD2 4.28Å |
| 431 | K | 58 | Low | 50.3 | Low | 115 Ų | 115 | 110.2 Ų | 110.2 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 117.6 | 172.4 | -172.3 | 178.2 | 179 | -177.6 | 0 | 108.4 | T444 W446 | K431-T444 WeakPolarHBondContact CE-OG1 3.47Å; K431-W446 HydrophobicContact CB-CD2 4.02Å; K431-W446 HydrophobicContact CB-CE3 3.81Å; K431-W446 HydrophobicContact CB-CH2 3.84Å; K431-W446 HydrophobicContact CB-CZ2 4.03Å; K431-W446 HydrophobicContact CB-CZ3 3.72Å; K431-W446 HydrophobicContact CD-CH2 4.46Å; K431-W446 HydrophobicContact CD-CZ2 4.04Å; K431-W446 HydrophobicContact CG-CD2 4.45Å; K431-W446 HydrophobicContact CG-CZ2 4.3Å |
| 432 | V | 64.7 | Low | 50.8 | Low | 46 Ų | 46 | 107.2 Ų | 107.2 | 28% | 0.279 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.4 | 177.9 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | Q430 T444 T445 L447 L452 | Q430-V432 HydrophobicContact CG-CG2 4.5Å; Q430-V432 PolarHBondContact O-N 3.12Å; V432-T444 WeakPolarHBondContact O-CA 3.35Å; V432-T445 PolarHBondContact N-O 3.01Å; V432-T445 PolarHBondContact O-N 3.42Å; V432-L447 HydrophobicContact CB-CD1 4.2Å; V432-L447 HydrophobicContact CG2-CD1 4.11Å; V432-L452 HydrophobicContact CG2-CD1 4.21Å; V432-L452 HydrophobicContact CG2-CD2 4.06Å |
| 433 | S | 59.8 | Low | 51.2 | Low | 66 Ų | 66 | 108 Ų | 108 | 46% | 0.462 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.3 | 122.5 | 167 | -61 | 0 | 0 | 0 | 0 | 108.5 | ||
| 434 | Q | 59.5 | Low | 52.2 | Low | 128 Ų | 128 | 104.3 Ų | 104.3 | 60% | 0.598 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.2 | 173.4 | -163.3 | 168.1 | 18 | 0 | 0 | 108.6 | R443 | Q434-R443 PolarHBondContact N-O 2.95Å; Q434-R443 PolarHBondContact O-N 3.02Å; Q434-R443 VanDerWaalsContact O-N 3.1Å |
| 435 | E | 53.2 | Low | 53.3 | Low | 145 Ų | 145 | 101.2 Ų | 101.2 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.7 | 121.6 | 175 | -54.8 | -156.9 | 123.5 | 0 | 0 | 108.9 | Q442 | E435-Q442 HydrophobicContact CG-CG 4.27Å; E435-Q442 PolarHBondContact OE1-NE2 3.26Å |
| 436 | E | 50.9 | Low | 54.1 | Low | 121 Ų | 121 | 106.5 Ų | 106.5 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | trans | -81.4 | 158.4 | 170.4 | -70.5 | -178.8 | 176 | 0 | 0 | 109.8 | S438 | E436-S438 PolarHBondContact O-N 3.47Š| ||
| 437 | A | 48.4 | Very low | 54.9 | Low | 112 Ų | 112 | 104.9 Ų | 104.9 | 93% | 0.926 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -75.9 | 45.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 438 | S | 48.3 | Very low | 55.3 | Low | 90 Ų | 90 | 104.1 Ų | 104.1 | 63% | 0.629 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -151 | 135 | 175.7 | -75.3 | 0 | 0 | 0 | 0 | 110.4 | E436 G440 | E436-S438 PolarHBondContact O-N 3.47Å; S438-G440 PolarHBondContact O-N 3.36Å |
| 439 | P | 46.1 | Very low | 55.5 | Low | 143 Ų | 143 | 101.9 Ų | 101.9 | 93% | 0.929 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 126.5 | -166.4 | -19.5 | 32.8 | 0 | 0 | 0 | 113.3 | ||
| 440 | G | 55.1 | Low | 55.5 | Low | 74 Ų | 74 | 102.1 Ų | 102.1 | 76% | 0.763 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.9 | 13 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | S438 | S438-G440 PolarHBondContact O-N 3.36Š|
| 441 | H | 48.8 | Very low | 55.6 | Low | 164 Ų | 164 | 104.2 Ų | 104.2 | 76% | 0.759 | 55% | 0.554 | S | S | * | * | trans | -131.6 | 116.3 | 166.4 | -101.1 | 43 | 0 | 0 | 0 | 111.9 | ||||
| 442 | Q | 55.6 | Low | 55.5 | Low | 123 Ų | 123 | 101.1 Ų | 101.1 | 58% | 0.575 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 120.5 | 170.3 | -67.9 | -174.1 | -17.4 | 0 | 0 | 109.1 | E435 | E435-Q442 HydrophobicContact CG-CG 4.27Å; E435-Q442 PolarHBondContact OE1-NE2 3.26Å |
| 443 | R | 54.3 | Low | 54.8 | Low | 165 Ų | 165 | 104.4 Ų | 104.4 | 62% | 0.623 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 123 | 177 | -173.3 | 173.8 | -179.3 | 166.9 | 0.3 | 109.4 | Q434 | Q434-R443 PolarHBondContact N-O 2.95Å; Q434-R443 PolarHBondContact O-N 3.02Å; Q434-R443 VanDerWaalsContact O-N 3.1Å |
| 444 | T | 64.3 | Low | 54.3 | Low | 66 Ų | 66 | 110.9 Ų | 110.9 | 41% | 0.405 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.1 | 177.2 | 71 | 0 | 0 | 0 | 0 | 111.1 | K431 V432 | K431-T444 WeakPolarHBondContact CE-OG1 3.47Å; V432-T444 WeakPolarHBondContact O-CA 3.35Å |
| 445 | T | 62.9 | Low | 53.5 | Low | 53 Ų | 53 | 108.7 Ų | 108.7 | 33% | 0.325 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.5 | 146.6 | -178.8 | -56.2 | 0 | 0 | 0 | 0 | 109.6 | V432 | V432-T445 PolarHBondContact N-O 3.01Å; V432-T445 PolarHBondContact O-N 3.42Å |
| 446 | W | 60.1 | Low | 53.3 | Low | 165 Ų | 165 | 106.1 Ų | 106.1 | 63% | 0.625 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 117.5 | 173.4 | -67.8 | 95.2 | 0 | 0 | 0 | 109.3 | K431 | K431-W446 HydrophobicContact CB-CD2 4.02Å; K431-W446 HydrophobicContact CB-CE3 3.81Å; K431-W446 HydrophobicContact CB-CH2 3.84Å; K431-W446 HydrophobicContact CB-CZ2 4.03Å; K431-W446 HydrophobicContact CB-CZ3 3.72Å; K431-W446 HydrophobicContact CD-CH2 4.46Å; K431-W446 HydrophobicContact CD-CZ2 4.04Å; K431-W446 HydrophobicContact CG-CD2 4.45Å; K431-W446 HydrophobicContact CG-CZ2 4.3Å |
| 447 | L | 59 | Low | 53 | Low | 56 Ų | 56 | 104.6 Ų | 104.6 | 29% | 0.293 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109 | 149.6 | 177.8 | -77.3 | 158.3 | 0 | 0 | 0 | 110 | Y429 Q430 V432 L452 | Y429-L447 CarbonylContact C-O 3.57Å; Y429-L447 WeakPolarHBondContact CA-O 3.3Å; Q430-L447 PolarHBondContact N-O 3.02Å; Q430-L447 PolarHBondContact O-N 3.39Å; V432-L447 HydrophobicContact CB-CD1 4.2Å; V432-L447 HydrophobicContact CG2-CD1 4.11Å; L447-L452 HydrophobicContact CB-CD1 3.91Å; L447-L452 HydrophobicContact CD1-CD1 3.98Å |
| 448 | K | 56.6 | Low | 52.8 | Low | 57 Ų | 57 | 106 Ų | 106 | 25% | 0.248 | 60% | 0.601 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.4 | 136.4 | 178.1 | -161.9 | -176.3 | -178.6 | -159.3 | 0 | 108.7 | Y429 E450 E451 | Y429-K448 HydrophobicContact CD1-CB 4.31Å; Y429-K448 HydrophobicContact CE1-CB 4.06Å; Y429-K448 HydrophobicContact CE1-CG 4.2Å; K448-E450 HydrophobicContact CD-CB 4.43Å; K448-E450 VanDerWaalsContact CE-CD 3.41Å; K448-E450 WeakPolarHBondContact CE-OE1 3.36Å; K448-E450 WeakPolarHBondContact CE-OE2 3.42Å; K448-E450 IonicContact NZ-OE1 2.81Å; K448-E450 PolarHBondContact NZ-OE1 3.32Å; K448-E450 IonicContact NZ-OE2 2.69Å; K448-E450 PolarHBondContact NZ-OE2 3.47Å; K448-E450 PolarHBondContact O-N 2.68Å; K448-E451 HydrophobicContact CB-CG 4.49Å; K448-E451 PolarHBondContact N-OE2 2.92Å; K448-E451 WeakPolarHBondContact O-CB 3.35Å; K448-E451 PolarHBondContact O-N 2.73Å |
| 449 | T | 54.5 | Low | 52.8 | Low | 32 Ų | 32 | 105.4 Ų | 105.4 | 20% | 0.196 | 60% | 0.602 | C | S | . | * | G | 310 helix | trans | -59.6 | -24 | -175.9 | -63 | 0 | 0 | 0 | 0 | 113.8 | T428 E451 L452 | T428-T449 WeakPolarHBondContact CB-OG1 3.42Å; T428-T449 VanDerWaalsContact CG2-OG1 3.27Å; T428-T449 WeakPolarHBondContact CG2-OG1 3.49Å; T428-T449 PolarHBondContact O-N 3.3Å; T428-T449 PolarHBondContact O-OG1 3.46Å; T428-T449 VanDerWaalsContact O-OG1 3.07Å; T449-E451 PolarHBondContact O-N 3.47Å; T449-L452 PolarHBondContact O-N 3.3Å |
| 450 | E | 54.3 | Low | 53 | Low | 128 Ų | 128 | 104.9 Ų | 104.9 | 60% | 0.598 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -59.9 | -27.9 | 171.1 | -69.5 | 167.8 | -155.9 | 0 | 0 | 113.8 | K448 | K448-E450 HydrophobicContact CD-CB 4.43Å; K448-E450 VanDerWaalsContact CE-CD 3.41Å; K448-E450 WeakPolarHBondContact CE-OE1 3.36Å; K448-E450 WeakPolarHBondContact CE-OE2 3.42Å; K448-E450 IonicContact NZ-OE1 2.81Å; K448-E450 PolarHBondContact NZ-OE1 3.32Å; K448-E450 IonicContact NZ-OE2 2.69Å; K448-E450 PolarHBondContact NZ-OE2 3.47Å; K448-E450 PolarHBondContact O-N 2.68Å |
| 451 | E | 53.9 | Low | 52.7 | Low | 140 Ų | 140 | 108.2 Ų | 108.2 | 65% | 0.654 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -89.5 | -9.3 | 179.8 | -60.4 | 170.8 | 142.1 | 0 | 0 | 112.2 | K448 T449 | K448-E451 HydrophobicContact CB-CG 4.49Å; K448-E451 PolarHBondContact N-OE2 2.92Å; K448-E451 WeakPolarHBondContact O-CB 3.35Å; K448-E451 PolarHBondContact O-N 2.73Å; T449-E451 PolarHBondContact O-N 3.47Å |
| 452 | L | 54.1 | Low | 52.9 | Low | 50 Ų | 50 | 104.7 Ų | 104.7 | 26% | 0.262 | 57% | 0.57 | S | S | . | * | trans | -99.3 | 10 | -175.1 | -120.6 | 75.1 | 0 | 0 | 0 | 114 | Q430 V432 L447 T449 Q454 | Q430-L452 HydrophobicContact CB-CD2 4.22Å; Q430-L452 HydrophobicContact CG-CD2 4.28Å; V432-L452 HydrophobicContact CG2-CD1 4.21Å; V432-L452 HydrophobicContact CG2-CD2 4.06Å; L447-L452 HydrophobicContact CB-CD1 3.91Å; L447-L452 HydrophobicContact CD1-CD1 3.98Å; T449-L452 PolarHBondContact O-N 3.3Å; L452-Q454 PolarHBondContact O-N 3.47Å | ||
| 453 | T | 51.5 | Low | 52.6 | Low | 114 Ų | 114 | 105 Ų | 105 | 70% | 0.699 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 56.1 | -171 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 454 | Q | 49.8 | Very low | 52.5 | Low | 203 Ų | 203 | 102.2 Ų | 102.2 | 95% | 0.949 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | -2.5 | 165.2 | -114.3 | 177.9 | 9.8 | 0 | 0 | 114.3 | L452 | L452-Q454 PolarHBondContact O-N 3.47Š|
| 455 | A | 41.3 | Very low | 52.1 | Low | 82 Ų | 82 | 104.3 Ų | 104.3 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -114.6 | 135.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S457 | A455-S457 PolarHBondContact O-N 3.31Š|
| 456 | G | 48.7 | Very low | 51.7 | Low | 91 Ų | 91 | 107.2 Ų | 107.2 | 94% | 0.938 | 60% | 0.597 | S | S | * | * | trans | -69.9 | 120.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 457 | S | 44.3 | Very low | 51.8 | Low | 88 Ų | 88 | 102.9 Ų | 102.9 | 62% | 0.615 | 58% | 0.584 | S | S | * | * | trans | -142.7 | 147.4 | 160.7 | 64.6 | 0 | 0 | 0 | 0 | 110.3 | A455 A459 | A455-S457 PolarHBondContact O-N 3.31Å; S457-A459 PolarHBondContact O-N 3.42Å | ||
| 458 | T | 45.8 | Very low | 51.7 | Low | 141 Ų | 141 | 107.6 Ų | 107.6 | 87% | 0.865 | 60% | 0.602 | S | S | * | * | trans | -83.7 | 52.7 | -170.3 | 46.1 | 0 | 0 | 0 | 0 | 113 | I460 | T458-I460 PolarHBondContact O-N 3.33Š| ||
| 459 | A | 47.1 | Very low | 51.8 | Low | 79 Ų | 79 | 108.4 Ų | 108.4 | 65% | 0.653 | 61% | 0.612 | S | S | * | * | trans | -70.9 | 90.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | S457 K461 | S457-A459 PolarHBondContact O-N 3.42Å; A459-K461 PolarHBondContact O-N 3.11Å | ||
| 460 | I | 51.4 | Low | 52.4 | Low | 131 Ų | 131 | 111.3 Ų | 111.3 | 67% | 0.672 | 63% | 0.631 | S | S | * | * | trans | -66.4 | 108.6 | 173.4 | -59.4 | 177.9 | 0 | 0 | 0 | 108.6 | T458 I462 | T458-I460 PolarHBondContact O-N 3.33Å; I460-I462 PolarHBondContact O-N 2.8Å | ||
| 461 | K | 48.6 | Very low | 52.4 | Low | 144 Ų | 144 | 112.6 Ų | 112.6 | 63% | 0.626 | 64% | 0.641 | S | S | * | * | trans | -58.5 | 126.7 | 173.9 | -174.5 | -175.3 | 172.8 | -160.6 | 0 | 109.7 | A459 E463 Q467 | A459-K461 PolarHBondContact O-N 3.11Å; K461-E463 HydrophobicContact CB-CG 4.46Å; K461-E463 HydrophobicContact CD-CG 3.9Å; K461-E463 WeakPolarHBondContact CD-OE1 3.47Å; K461-E463 WeakPolarHBondContact CE-OE1 3.41Å; K461-E463 HydrophobicContact CG-CG 3.92Å; K461-E463 IonicContact NZ-OE1 2.91Å; K461-E463 PolarHBondContact NZ-OE1 3.34Å; K461-E463 PolarHBondContact O-N 3.1Å; K461-Q467 PolarHBondContact O-NE2 2.92Å | ||
| 462 | I | 52.7 | Low | 52.5 | Low | 90 Ų | 90 | 116.2 Ų | 116.2 | 46% | 0.462 | 66% | 0.655 | S | S | . | * | trans | -83.8 | 103 | 174.6 | -54.3 | 173.9 | 0 | 0 | 0 | 107.4 | I460 N464 F468 | I460-I462 PolarHBondContact O-N 2.8Å; I462-N464 WeakPolarHBondContact CG2-O 3.17Å; I462-F468 HydrophobicContact CD1-CE2 3.87Å; I462-F468 HydrophobicContact CD1-CZ 4.48Å; I462-F468 HydrophobicContact CG1-CE2 3.96Å; I462-F468 HydrophobicContact CG1-CZ 4.37Å | ||
| 463 | E | 49.7 | Very low | 52.9 | Low | 129 Ų | 129 | 116.4 Ų | 116.4 | 60% | 0.603 | 66% | 0.658 | S | S | * | * | trans | -98.3 | -19.2 | 179.7 | -60.3 | -157.7 | 138.8 | 0 | 0 | 112.7 | K461 | K461-E463 HydrophobicContact CB-CG 4.46Å; K461-E463 HydrophobicContact CD-CG 3.9Å; K461-E463 WeakPolarHBondContact CD-OE1 3.47Å; K461-E463 WeakPolarHBondContact CE-OE1 3.41Å; K461-E463 HydrophobicContact CG-CG 3.92Å; K461-E463 IonicContact NZ-OE1 2.91Å; K461-E463 PolarHBondContact NZ-OE1 3.34Å; K461-E463 PolarHBondContact O-N 3.1Å | ||
| 464 | N | 52.7 | Low | 53.6 | Low | 107 Ų | 107 | 114 Ų | 114 | 57% | 0.572 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -130.9 | 139.6 | 174.4 | -89.2 | -79.8 | 0 | 0 | 0 | 111.5 | I462 N466 Q467 | I462-N464 WeakPolarHBondContact CG2-O 3.17Å; N464-N466 PolarHBondContact O-N 3.1Å; N464-N466 VanDerWaalsContact O-N 3.13Å; N464-Q467 HydrophobicContact CB-CB 4.45Å; N464-Q467 WeakPolarHBondContact O-CB 3.37Å; N464-Q467 PolarHBondContact O-N 2.92Å; N464-Q467 VanDerWaalsContact O-N 3.11Å |
| 465 | P | 55 | Low | 54.3 | Low | 110 Ų | 110 | 108.8 Ų | 108.8 | 71% | 0.714 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -19.5 | 177.8 | 27.5 | -35.2 | 0 | 0 | 0 | 113.1 | ||
| 466 | N | 54.9 | Low | 55.4 | Low | 114 Ų | 114 | 111.1 Ų | 111.1 | 61% | 0.61 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 8.7 | 179.5 | -61.6 | -6.7 | 0 | 0 | 0 | 113.3 | N464 F468 V469 | N464-N466 PolarHBondContact O-N 3.1Å; N464-N466 VanDerWaalsContact O-N 3.13Å; N466-F468 PolarHBondContact O-N 3.47Å; N466-V469 HydrophobicContact CB-CG2 4.04Å; N466-V469 WeakPolarHBondContact O-CB 3.13Å; N466-V469 PolarHBondContact O-N 2.95Å |
| 467 | Q | 61.7 | Low | 56.6 | Low | 75 Ų | 75 | 112.2 Ų | 112.2 | 35% | 0.35 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.3 | -15.2 | -171.5 | -176.6 | 167.4 | -22.4 | 0 | 0 | 115 | K461 N464 | K461-Q467 PolarHBondContact O-NE2 2.92Å; N464-Q467 HydrophobicContact CB-CB 4.45Å; N464-Q467 WeakPolarHBondContact O-CB 3.37Å; N464-Q467 PolarHBondContact O-N 2.92Å; N464-Q467 VanDerWaalsContact O-N 3.11Å |
| 468 | F | 56.4 | Low | 57.9 | Low | 155 Ų | 155 | 111.3 Ų | 111.3 | 68% | 0.68 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 8.1 | 174.4 | -58.5 | -77.2 | 0 | 0 | 0 | 113.6 | I462 N466 | I462-F468 HydrophobicContact CD1-CE2 3.87Å; I462-F468 HydrophobicContact CD1-CZ 4.48Å; I462-F468 HydrophobicContact CG1-CE2 3.96Å; I462-F468 HydrophobicContact CG1-CZ 4.37Å; N466-F468 PolarHBondContact O-N 3.47Å |
| 469 | V | 60.1 | Low | 58.9 | Low | 74 Ų | 74 | 109.4 Ų | 109.4 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -77.3 | 126 | 170.4 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | N466 L471 | N466-V469 HydrophobicContact CB-CG2 4.04Å; N466-V469 WeakPolarHBondContact O-CB 3.13Å; N466-V469 PolarHBondContact O-N 2.95Å; V469-L471 PolarHBondContact O-N 2.91Å |
| 470 | P | 66.9 | Low | 60.2 | Low | 93 Ų | 93 | 111.5 Ų | 111.5 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 136.1 | 176.5 | -22.1 | 31.9 | 0 | 0 | 0 | 110.9 | F472 T473 | P470-F472 PolarHBondContact O-N 2.88Å; P470-T473 WeakPolarHBondContact CB-OG1 3.31Å; P470-T473 WeakPolarHBondContact O-CB 3.42Å; P470-T473 PolarHBondContact O-N 3.29Å; P470-T473 VanDerWaalsContact O-N 3.14Å; P470-T473 PolarHBondContact O-OG1 3.05Å |
| 471 | L | 52.9 | Low | 61.2 | Low | 155 Ų | 155 | 108.9 Ų | 108.9 | 81% | 0.812 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 141.1 | 174.9 | -60.6 | 177.3 | 0 | 0 | 0 | 109.4 | V469 T473 | V469-L471 PolarHBondContact O-N 2.91Å; L471-T473 VanDerWaalsContact C-N 3.34Å; L471-T473 PolarHBondContact O-N 3.22Å |
| 472 | F | 56.3 | Low | 62.1 | Low | 215 Ų | 215 | 109.4 Ų | 109.4 | 94% | 0.943 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.9 | 8.1 | -173.1 | -47 | -79.2 | 0 | 0 | 0 | 117.3 | P470 N474 | P470-F472 PolarHBondContact O-N 2.88Å; F472-N474 PolarHBondContact O-N 3.01Å |
| 473 | T | 63.5 | Low | 63.1 | Low | 54 Ų | 54 | 108.9 Ų | 108.9 | 33% | 0.331 | 56% | 0.559 | S | S | . | * | trans | -67.7 | 124.4 | 171.5 | -46 | 0 | 0 | 0 | 0 | 111.4 | P470 L471 V478 | P470-T473 WeakPolarHBondContact CB-OG1 3.31Å; P470-T473 WeakPolarHBondContact O-CB 3.42Å; P470-T473 PolarHBondContact O-N 3.29Å; P470-T473 VanDerWaalsContact O-N 3.14Å; P470-T473 PolarHBondContact O-OG1 3.05Å; L471-T473 VanDerWaalsContact C-N 3.34Å; L471-T473 PolarHBondContact O-N 3.22Å; T473-V478 HydrophobicContact CG2-CG2 3.37Å | ||
| 474 | N | 66.6 | Low | 64.4 | Low | 65 Ų | 65 | 110 Ų | 110 | 35% | 0.348 | 56% | 0.562 | S | S | . | * | trans | -73.9 | 124.1 | 176.2 | -180 | -10 | 0 | 0 | 0 | 110.9 | F472 Q476 E477 V478 | F472-N474 PolarHBondContact O-N 3.01Å; N474-Q476 VanDerWaalsContact C-N 3.25Å; N474-Q476 PolarHBondContact O-N 2.88Å; N474-Q476 PolarHBondContact OD1-N 3.43Å; N474-E477 HydrophobicContact CB-CB 4.35Å; N474-E477 HydrophobicContact CB-CG 4Å; N474-E477 WeakPolarHBondContact CB-OE2 3.36Å; N474-E477 PolarHBondContact O-N 3.04Å; N474-V478 PolarHBondContact O-N 2.88Å | ||
| 475 | P | 63.9 | Low | 65.2 | Low | 93 Ų | 93 | 109.4 Ų | 109.4 | 60% | 0.604 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.2 | -26.9 | -177.5 | 24.6 | -35 | 0 | 0 | 0 | 114.3 | I479 | P475-I479 WeakPolarHBondContact O-CD1 3.33Å; P475-I479 WeakPolarHBondContact O-CG1 3.27Å; P475-I479 PolarHBondContact O-N 2.82Å |
| 476 | Q | 65.3 | Low | 65.8 | Low | 130 Ų | 130 | 110.4 Ų | 110.4 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -71 | -44.2 | 177.3 | -68.8 | -179.4 | -94.9 | 0 | 0 | 111.5 | N474 V478 I479 E480 | N474-Q476 VanDerWaalsContact C-N 3.25Å; N474-Q476 PolarHBondContact O-N 2.88Å; N474-Q476 PolarHBondContact OD1-N 3.43Å; Q476-V478 VanDerWaalsContact C-N 3.26Å; Q476-V478 PolarHBondContact O-N 3.33Å; Q476-I479 PolarHBondContact O-N 2.93Å; Q476-E480 WeakPolarHBondContact O-CG 3.42Å; Q476-E480 PolarHBondContact O-N 3.07Å |
| 477 | E | 73.3 | Confident | 66.6 | Low | 115 Ų | 115 | 109.4 Ų | 109.4 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.1 | -34.5 | 178.2 | -64.3 | 180 | 148.1 | 0 | 0 | 112.3 | N474 E480 T481 | N474-E477 HydrophobicContact CB-CB 4.35Å; N474-E477 HydrophobicContact CB-CG 4Å; N474-E477 WeakPolarHBondContact CB-OE2 3.36Å; N474-E477 PolarHBondContact O-N 3.04Å; E477-E480 PolarHBondContact O-N 3.01Å; E477-T481 WeakPolarHBondContact O-CB 3.2Å; E477-T481 WeakPolarHBondContact O-CG2 3.36Å; E477-T481 PolarHBondContact O-N 3.18Å; E477-T481 PolarHBondContact O-OG1 2.79Å |
| 478 | V | 70.4 | Confident | 66.9 | Low | 68 Ų | 68 | 109 Ų | 109 | 41% | 0.412 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 174.8 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | T473 N474 Q476 T481 R482 | T473-V478 HydrophobicContact CG2-CG2 3.37Å; N474-V478 PolarHBondContact O-N 2.88Å; Q476-V478 VanDerWaalsContact C-N 3.26Å; Q476-V478 PolarHBondContact O-N 3.33Å; V478-T481 WeakPolarHBondContact CA-OG1 3.41Å; V478-T481 PolarHBondContact O-OG1 2.91Å; V478-R482 WeakPolarHBondContact O-CB 3.46Å; V478-R482 PolarHBondContact O-N 2.65Å; V478-R482 VanDerWaalsContact O-N 3.1Å |
| 479 | I | 66.9 | Low | 67.2 | Low | 101 Ų | 101 | 106.2 Ų | 106.2 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.6 | -42.9 | 177.2 | -66.8 | 166.3 | 0 | 0 | 0 | 110.2 | P475 Q476 R482 N483 | P475-I479 WeakPolarHBondContact O-CD1 3.33Å; P475-I479 WeakPolarHBondContact O-CG1 3.27Å; P475-I479 PolarHBondContact O-N 2.82Å; Q476-I479 PolarHBondContact O-N 2.93Å; I479-R482 PolarHBondContact O-N 2.98Å; I479-N483 WeakPolarHBondContact O-CB 3.38Å; I479-N483 PolarHBondContact O-N 3.31Å; I479-N483 PolarHBondContact O-ND2 2.96Å |
| 480 | E | 74.2 | Confident | 67.5 | Low | 124 Ų | 124 | 111.7 Ų | 111.7 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.4 | -46.7 | 178.5 | -72.9 | 176.8 | -158.5 | 0 | 0 | 112.5 | Q476 E477 R482 N483 K484 | Q476-E480 WeakPolarHBondContact O-CG 3.42Å; Q476-E480 PolarHBondContact O-N 3.07Å; E477-E480 PolarHBondContact O-N 3.01Å; E480-R482 PolarHBondContact O-N 2.75Å; E480-N483 PolarHBondContact O-N 3.3Å; E480-K484 WeakPolarHBondContact O-CB 3.5Å; E480-K484 PolarHBondContact O-N 3.07Å |
| 481 | T | 74 | Confident | 67.4 | Low | 76 Ų | 76 | 113.5 Ų | 113.5 | 47% | 0.466 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 174.9 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | E477 V478 N483 K484 I485 | E477-T481 WeakPolarHBondContact O-CB 3.2Å; E477-T481 WeakPolarHBondContact O-CG2 3.36Å; E477-T481 PolarHBondContact O-N 3.18Å; E477-T481 PolarHBondContact O-OG1 2.79Å; V478-T481 WeakPolarHBondContact CA-OG1 3.41Å; V478-T481 PolarHBondContact O-OG1 2.91Å; T481-N483 VanDerWaalsContact C-N 3.31Å; T481-N483 PolarHBondContact O-N 3.34Å; T481-K484 PolarHBondContact O-N 2.95Å; T481-I485 VanDerWaalsContact O-CG1 3.3Å; T481-I485 WeakPolarHBondContact O-CG1 3.37Å; T481-I485 PolarHBondContact O-N 3.35Å |
| 482 | R | 67.2 | Low | 67.5 | Low | 154 Ų | 154 | 111.5 Ų | 111.5 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.5 | -40.8 | 173.3 | -174.3 | -179.6 | -170.3 | -175.6 | 4.6 | 112.2 | V478 I479 E480 R486 | V478-R482 WeakPolarHBondContact O-CB 3.46Å; V478-R482 PolarHBondContact O-N 2.65Å; V478-R482 VanDerWaalsContact O-N 3.1Å; I479-R482 PolarHBondContact O-N 2.98Å; E480-R482 PolarHBondContact O-N 2.75Å; R482-R486 WeakPolarHBondContact O-CB 3.47Å; R482-R486 WeakPolarHBondContact O-CD 3.44Å; R482-R486 VanDerWaalsContact O-CG 3.25Å; R482-R486 WeakPolarHBondContact O-CG 3.49Å; R482-R486 PolarHBondContact O-N 3.33Å |
| 483 | N | 72.8 | Confident | 67.5 | Low | 80 Ų | 80 | 106.6 Ų | 106.6 | 43% | 0.428 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.9 | -35.5 | 178.1 | -72.4 | -16.7 | 0 | 0 | 0 | 112.1 | I479 E480 T481 R486 Q487 | I479-N483 WeakPolarHBondContact O-CB 3.38Å; I479-N483 PolarHBondContact O-N 3.31Å; I479-N483 PolarHBondContact O-ND2 2.96Å; E480-N483 PolarHBondContact O-N 3.3Å; T481-N483 VanDerWaalsContact C-N 3.31Å; T481-N483 PolarHBondContact O-N 3.34Å; N483-R486 WeakPolarHBondContact O-CB 3.35Å; N483-R486 PolarHBondContact O-N 3.11Å; N483-Q487 WeakPolarHBondContact O-CB 3.16Å; N483-Q487 PolarHBondContact O-N 3.13Å |
| 484 | K | 77.9 | Confident | 66.9 | Low | 152 Ų | 152 | 112 Ų | 112 | 66% | 0.661 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -46.8 | 173.7 | -170.7 | 173.8 | -178.1 | 176.9 | 0 | 111.8 | E480 T481 R486 Q487 Q488 | E480-K484 WeakPolarHBondContact O-CB 3.5Å; E480-K484 PolarHBondContact O-N 3.07Å; T481-K484 PolarHBondContact O-N 2.95Å; K484-R486 VanDerWaalsContact C-N 3.34Å; K484-R486 PolarHBondContact O-N 2.95Å; K484-Q487 PolarHBondContact O-N 3.43Å; K484-Q487 VanDerWaalsContact O-N 3.14Å; K484-Q488 WeakPolarHBondContact O-CB 3.25Å; K484-Q488 PolarHBondContact O-N 3.12Å |
| 485 | I | 69 | Low | 66.5 | Low | 95 Ų | 95 | 113.2 Ų | 113.2 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 173.9 | -67.7 | 163.2 | 0 | 0 | 0 | 110.6 | T481 Q487 Q488 N489 | T481-I485 VanDerWaalsContact O-CG1 3.3Å; T481-I485 WeakPolarHBondContact O-CG1 3.37Å; T481-I485 PolarHBondContact O-N 3.35Å; I485-Q487 VanDerWaalsContact C-N 3.31Å; I485-Q487 PolarHBondContact O-N 3.01Å; I485-Q488 PolarHBondContact O-N 3.46Å; I485-N489 WeakPolarHBondContact O-CB 3.48Å; I485-N489 VanDerWaalsContact O-CG 3.3Å; I485-N489 PolarHBondContact O-N 3.35Å |
| 486 | R | 67.8 | Low | 65.7 | Low | 131 Ų | 131 | 113.2 Ų | 113.2 | 49% | 0.494 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.7 | -37.7 | 174.5 | -78.8 | 167.4 | 159.2 | -176.9 | -11.6 | 112.8 | R482 N483 K484 R490 | R482-R486 WeakPolarHBondContact O-CB 3.47Å; R482-R486 WeakPolarHBondContact O-CD 3.44Å; R482-R486 VanDerWaalsContact O-CG 3.25Å; R482-R486 WeakPolarHBondContact O-CG 3.49Å; R482-R486 PolarHBondContact O-N 3.33Å; N483-R486 WeakPolarHBondContact O-CB 3.35Å; N483-R486 PolarHBondContact O-N 3.11Å; K484-R486 VanDerWaalsContact C-N 3.34Å; K484-R486 PolarHBondContact O-N 2.95Å; R486-R490 WeakPolarHBondContact O-CB 3.45Å; R486-R490 PolarHBondContact O-N 3.06Å; R486-R490 VanDerWaalsContact O-N 3.12Å |
| 487 | Q | 71.5 | Confident | 65.3 | Low | 92 Ų | 92 | 109.6 Ų | 109.6 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.8 | -41.2 | 178.7 | -165.1 | 67.3 | -0.7 | 0 | 0 | 112.1 | N483 K484 I485 R490 Q491 | N483-Q487 WeakPolarHBondContact O-CB 3.16Å; N483-Q487 PolarHBondContact O-N 3.13Å; K484-Q487 PolarHBondContact O-N 3.43Å; K484-Q487 VanDerWaalsContact O-N 3.14Å; I485-Q487 VanDerWaalsContact C-N 3.31Å; I485-Q487 PolarHBondContact O-N 3.01Å; Q487-R490 WeakPolarHBondContact O-CA 3.42Å; Q487-R490 WeakPolarHBondContact O-CB 3.36Å; Q487-R490 PolarHBondContact O-N 2.89Å; Q487-R490 VanDerWaalsContact O-N 3.09Å; Q487-Q491 PolarHBondContact O-N 3.21Å |
| 488 | Q | 68.1 | Low | 64.4 | Low | 66 Ų | 66 | 110.7 Ų | 110.7 | 31% | 0.308 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.9 | -43.1 | 176.1 | -171.9 | 169 | -11.5 | 0 | 0 | 111.5 | K484 I485 R490 Q491 M493 T495 | K484-Q488 WeakPolarHBondContact O-CB 3.25Å; K484-Q488 PolarHBondContact O-N 3.12Å; I485-Q488 PolarHBondContact O-N 3.46Å; Q488-R490 VanDerWaalsContact C-N 3.25Å; Q488-R490 PolarHBondContact O-N 3.14Å; Q488-Q491 PolarHBondContact O-N 3.41Å; Q488-Q491 VanDerWaalsContact O-N 3.13Å; Q488-M493 HydrophobicContact CG-CB 4.12Å; Q488-M493 PolarHBondContact O-N 3.49Å; Q488-T495 PolarHBondContact NE2-OG1 3.04Å |
| 489 | N | 61.9 | Low | 63.3 | Low | 97 Ų | 97 | 116.3 Ų | 116.3 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.9 | -29.7 | 171.3 | -71.7 | -5.4 | 0 | 0 | 0 | 112.8 | I485 Q491 D492 | I485-N489 WeakPolarHBondContact O-CB 3.48Å; I485-N489 VanDerWaalsContact O-CG 3.3Å; I485-N489 PolarHBondContact O-N 3.35Å; N489-Q491 PolarHBondContact O-N 3.05Å; N489-D492 PolarHBondContact O-N 3.45Å |
| 490 | R | 66.8 | Low | 62.4 | Low | 190 Ų | 190 | 116 Ų | 116 | 72% | 0.717 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -9.8 | 176.7 | -139.5 | -165.6 | -49.8 | -133.3 | 9.4 | 113.8 | R486 Q487 Q488 | R486-R490 WeakPolarHBondContact O-CB 3.45Å; R486-R490 PolarHBondContact O-N 3.06Å; R486-R490 VanDerWaalsContact O-N 3.12Å; Q487-R490 WeakPolarHBondContact O-CA 3.42Å; Q487-R490 WeakPolarHBondContact O-CB 3.36Å; Q487-R490 PolarHBondContact O-N 2.89Å; Q487-R490 VanDerWaalsContact O-N 3.09Å; Q488-R490 VanDerWaalsContact C-N 3.25Å; Q488-R490 PolarHBondContact O-N 3.14Å |
| 491 | Q | 64.3 | Low | 61.2 | Low | 131 Ų | 131 | 118.2 Ų | 118.2 | 61% | 0.612 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 13.8 | 174.1 | -65.5 | 176.8 | -37 | 0 | 0 | 111.5 | Q487 Q488 N489 M493 | Q487-Q491 PolarHBondContact O-N 3.21Å; Q488-Q491 PolarHBondContact O-N 3.41Å; Q488-Q491 VanDerWaalsContact O-N 3.13Å; N489-Q491 PolarHBondContact O-N 3.05Å; Q491-M493 HydrophobicContact CB-CG 4.4Å; Q491-M493 PolarHBondContact O-N 2.91Å |
| 492 | D | 56.4 | Low | 60.2 | Low | 112 Ų | 112 | 120.4 Ų | 120.4 | 60% | 0.599 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.5 | 14.2 | -174.1 | -120.5 | -37.9 | 0 | 0 | 0 | 115.3 | N489 K494 | N489-D492 PolarHBondContact O-N 3.45Å; D492-K494 PolarHBondContact O-N 3.1Å; D492-K494 WeakPolarHBondContact OD1-CE 3.17Å; D492-K494 IonicContact OD1-NZ 2.59Å; D492-K494 PolarHBondContact OD1-NZ 2.88Å |
| 493 | M | 56.4 | Low | 59.1 | Low | 112 Ų | 112 | 119.5 Ų | 119.5 | 55% | 0.552 | 62% | 0.623 | S | S | * | * | trans | -74.5 | 76 | 174.5 | -70.6 | -166.4 | 71.8 | 0 | 0 | 110.3 | Q488 Q491 T495 | Q488-M493 HydrophobicContact CG-CB 4.12Å; Q488-M493 PolarHBondContact O-N 3.49Å; Q491-M493 HydrophobicContact CB-CG 4.4Å; Q491-M493 PolarHBondContact O-N 2.91Å; M493-T495 PolarHBondContact O-N 3.49Å | ||
| 494 | K | 50.8 | Low | 57.8 | Low | 168 Ų | 168 | 119.9 Ų | 119.9 | 73% | 0.73 | 64% | 0.638 | S | S | * | * | trans | -68.7 | 65.5 | 174.5 | -70.1 | 170.1 | 175.2 | 124.3 | 0 | 111.7 | D492 A496 | D492-K494 PolarHBondContact O-N 3.1Å; D492-K494 WeakPolarHBondContact OD1-CE 3.17Å; D492-K494 IonicContact OD1-NZ 2.59Å; D492-K494 PolarHBondContact OD1-NZ 2.88Å; K494-A496 PolarHBondContact O-N 3.39Å | ||
| 495 | T | 57.3 | Low | 56.1 | Low | 91 Ų | 91 | 117.7 Ų | 117.7 | 56% | 0.558 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 127.3 | 164.5 | -45.7 | 0 | 0 | 0 | 0 | 108.2 | Q488 M493 G497 | Q488-T495 PolarHBondContact NE2-OG1 3.04Å; M493-T495 PolarHBondContact O-N 3.49Å; T495-G497 PolarHBondContact O-N 3.35Å |
| 496 | A | 47.8 | Very low | 54.7 | Low | 93 Ų | 93 | 118 Ų | 118 | 77% | 0.769 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 133.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | K494 | K494-A496 PolarHBondContact O-N 3.39Š|
| 497 | G | 56 | Low | 53.3 | Low | 54 Ų | 54 | 118.2 Ų | 118.2 | 56% | 0.557 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -61 | 161.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T495 Q499 | T495-G497 PolarHBondContact O-N 3.35Å; G497-Q499 PolarHBondContact O-N 3.23Å |
| 498 | P | 54.1 | Low | 51.8 | Low | 137 Ų | 137 | 119.5 Ų | 119.5 | 89% | 0.89 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 124.4 | -179.9 | 23.4 | -33.8 | 0 | 0 | 0 | 110.5 | S500 | P498-S500 PolarHBondContact O-N 3.28Š|
| 499 | Q | 47.8 | Very low | 50.4 | Low | 186 Ų | 186 | 123.3 Ų | 123.3 | 87% | 0.869 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 132.4 | 180 | -82.8 | -178 | -53.3 | 0 | 0 | 110.7 | G497 Q501 | G497-Q499 PolarHBondContact O-N 3.23Å; Q499-Q501 PolarHBondContact O-N 2.66Å |
| 500 | S | 47.3 | Very low | 49.1 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | trans | -66.3 | 113.7 | 175.2 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | P498 V502 | P498-S500 PolarHBondContact O-N 3.28Å; S500-V502 PolarHBondContact O-N 3.37Å; S500-V502 WeakPolarHBondContact OG-CB 3.46Å; S500-V502 VanDerWaalsContact OG-CG2 3.25Å; S500-V502 WeakPolarHBondContact OG-CG2 3.49Å; S500-V502 PolarHBondContact OG-N 3.47Å | ||
| 501 | Q | 50.9 | Low | 47.5 | Very low | 169 Ų | 169 | 122.6 Ų | 122.6 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | trans | -79.8 | 6 | 171.9 | -71.8 | -173.4 | -25.6 | 0 | 0 | 113.3 | Q499 L503 A504 | Q499-Q501 PolarHBondContact O-N 2.66Å; Q501-L503 PolarHBondContact O-N 3.14Å; Q501-A504 WeakPolarHBondContact O-CB 3.42Å; Q501-A504 PolarHBondContact O-N 3.06Å | ||
| 502 | V | 51.1 | Low | 46.3 | Very low | 122 Ų | 122 | 122.2 Ų | 122.2 | 74% | 0.739 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -10.7 | -169.9 | 179.9 | 0 | 0 | 0 | 0 | 113.9 | S500 | S500-V502 PolarHBondContact O-N 3.37Å; S500-V502 WeakPolarHBondContact OG-CB 3.46Å; S500-V502 VanDerWaalsContact OG-CG2 3.25Å; S500-V502 WeakPolarHBondContact OG-CG2 3.49Å; S500-V502 PolarHBondContact OG-N 3.47Å |
| 503 | L | 43.9 | Very low | 45.6 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.9 | 16.3 | 175.4 | -65.6 | 175.7 | 0 | 0 | 0 | 114 | Q501 S505 V506 | Q501-L503 PolarHBondContact O-N 3.14Å; L503-S505 PolarHBondContact O-N 3.4Å; L503-V506 HydrophobicContact CD2-CG2 4.48Å; L503-V506 PolarHBondContact O-N 3.26Å |
| 504 | A | 45.6 | Very low | 44.8 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -1.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q501 | Q501-A504 WeakPolarHBondContact O-CB 3.42Å; Q501-A504 PolarHBondContact O-N 3.06Å |
| 505 | S | 42.5 | Very low | 44.1 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 0 | -177.1 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | L503 I507 | L503-S505 PolarHBondContact O-N 3.4Å; S505-I507 PolarHBondContact O-N 3.22Å |
| 506 | V | 39.9 | Very low | 43.2 | Very low | 103 Ų | 103 | 124 Ų | 124 | 62% | 0.624 | 76% | 0.761 | S | S | * | * | trans | -86.9 | 86.3 | 173 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | L503 T508 | L503-V506 HydrophobicContact CD2-CG2 4.48Å; L503-V506 PolarHBondContact O-N 3.26Å; V506-T508 PolarHBondContact O-N 3.36Å | ||
| 507 | I | 38.8 | Very low | 42.8 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | trans | -74.1 | 121 | 172.4 | -59.6 | 170.7 | 0 | 0 | 0 | 108.6 | S505 | S505-I507 PolarHBondContact O-N 3.22Š| ||
| 508 | T | 40.6 | Very low | 42 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | trans | -129.9 | 102.5 | 159.6 | 51.5 | 0 | 0 | 0 | 0 | 107.7 | V506 D510 | V506-T508 PolarHBondContact O-N 3.36Å; T508-D510 PolarHBondContact O-N 2.69Å | ||
| 509 | D | 37.3 | Very low | 41.4 | Very low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | -70.2 | 94.8 | 177.2 | -65.9 | -65.2 | 0 | 0 | 0 | 110.7 | ||||
| 510 | D | 35.1 | Very low | 41 | Very low | 157 Ų | 157 | 128.1 Ų | 128.1 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -167.2 | 129.1 | 148.5 | -106.2 | -31.5 | 0 | 0 | 0 | 109.7 | T508 | T508-D510 PolarHBondContact O-N 2.69Š| ||
| 511 | S | 33.2 | Very low | 40.6 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -153.5 | 109.7 | -178.7 | -75.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 512 | P | 38.8 | Very low | 40.4 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 154.1 | 164.5 | -17.8 | 32.5 | 0 | 0 | 0 | 111.6 | ||
| 513 | P | 42.8 | Very low | 40.1 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 152.3 | -168 | 29.6 | -36.3 | 0 | 0 | 0 | 114.5 | P515 | P513-P515 WeakPolarHBondContact O-CD 3.35Š|
| 514 | T | 39 | Very low | 40.2 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 126.1 | 175.5 | 33 | 0 | 0 | 0 | 0 | 112.8 | ||
| 515 | P | 37 | Very low | 40.3 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 143.7 | 170.7 | -19.9 | 33.9 | 0 | 0 | 0 | 112.9 | P513 | P513-P515 WeakPolarHBondContact O-CD 3.35Š|
| 516 | V | 37.6 | Very low | 40.7 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 141.7 | -179.8 | -179.9 | 0 | 0 | 0 | 0 | 112 | P518 | V516-P518 WeakPolarHBondContact O-CD 3.43Š|
| 517 | S | 39.7 | Very low | 41 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 123.6 | 175.8 | -47.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 518 | P | 39.4 | Very low | 41.4 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 160.5 | 168.6 | -19 | 33.9 | 0 | 0 | 0 | 112.8 | V516 | V516-P518 WeakPolarHBondContact O-CD 3.43Š|
| 519 | P | 40.8 | Very low | 41.9 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 161.8 | -171.2 | 31.8 | -36.4 | 0 | 0 | 0 | 114.8 | V521 | P519-V521 PolarHBondContact O-N 2.95Š|
| 520 | K | 39.6 | Very low | 42.5 | Very low | 209 Ų | 209 | 131.8 Ų | 131.8 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -72.7 | 110 | -178.8 | -176.3 | 179.1 | -178.4 | 179.1 | 0 | 112.1 | ||||
| 521 | V | 37.9 | Very low | 43.1 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 138 | 169.9 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | P519 | P519-V521 PolarHBondContact O-N 2.95Š|
| 522 | P | 48.5 | Very low | 44 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73 | 151.5 | 172.8 | 31.2 | -35.2 | 0 | 0 | 0 | 111.7 | ||
| 523 | P | 44.4 | Very low | 44.8 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 141.7 | -179.3 | 30.1 | -34.9 | 0 | 0 | 0 | 112.5 | ||
| 524 | E | 44.7 | Very low | 45.1 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 149.7 | 162.5 | -72.8 | -179.4 | 113.9 | 0 | 0 | 110.7 | ||
| 525 | P | 47.8 | Very low | 46.3 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 135 | 175.5 | 31.2 | -33.6 | 0 | 0 | 0 | 111.8 | ||
| 526 | E | 51.8 | Low | 47.2 | Very low | 182 Ų | 182 | 134 Ų | 134 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 147.9 | 171.2 | -63.5 | -177.7 | 155.9 | 0 | 0 | 111.3 | ||
| 527 | P | 45.7 | Very low | 48.1 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 142 | 177.5 | 28.2 | -34.6 | 0 | 0 | 0 | 111.6 | ||
| 528 | P | 47.7 | Very low | 49.3 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 141.7 | -172 | 26.8 | -34.9 | 0 | 0 | 0 | 113.4 | ||
| 529 | N | 51.2 | Low | 50.4 | Low | 91 Ų | 91 | 132.5 Ų | 132.5 | 49% | 0.487 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 120.6 | 175.9 | 177.1 | 19.4 | 0 | 0 | 0 | 111.3 | F531 N532 | N529-F531 PolarHBondContact O-N 3.37Å; N529-N532 PolarHBondContact ND2-OD1 3.13Å; N529-N532 PolarHBondContact O-N 3.25Å |
| 530 | P | 49.6 | Very low | 51.5 | Low | 114 Ų | 114 | 133.1 Ų | 133.1 | 74% | 0.74 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 8.2 | -174.1 | 30.4 | -37.7 | 0 | 0 | 0 | 115.5 | ||
| 531 | F | 47.9 | Very low | 52.9 | Low | 174 Ų | 174 | 128.6 Ų | 128.6 | 76% | 0.763 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 7.3 | 178.6 | -69.8 | -77.3 | 0 | 0 | 0 | 114.4 | N529 | N529-F531 PolarHBondContact O-N 3.37Š|
| 532 | N | 51.7 | Low | 54.1 | Low | 126 Ų | 126 | 131 Ų | 131 | 67% | 0.674 | 69% | 0.686 | S | S | * | * | trans | -88.6 | 1.4 | -178.6 | -78.4 | 16 | 0 | 0 | 0 | 114.9 | N529 | N529-N532 PolarHBondContact ND2-OD1 3.13Å; N529-N532 PolarHBondContact O-N 3.25Å | ||
| 533 | E | 55.4 | Low | 55.2 | Low | 178 Ų | 178 | 133.8 Ų | 133.8 | 83% | 0.832 | 68% | 0.683 | S | S | * | * | trans | -105.3 | 23.3 | -174.8 | -64.4 | -166.7 | 164.1 | 0 | 0 | 115 | T535 | E533-T535 PolarHBondContact O-N 3.35Š| ||
| 534 | L | 50.7 | Low | 56.4 | Low | 121 Ų | 121 | 134.8 Ų | 134.8 | 63% | 0.634 | 68% | 0.675 | S | S | * | * | trans | -77.6 | 101.9 | 157.4 | -98.8 | 154.6 | 0 | 0 | 0 | 108 | ||||
| 535 | T | 62.5 | Low | 57.6 | Low | 84 Ų | 84 | 129.6 Ų | 129.6 | 52% | 0.515 | 65% | 0.651 | S | S | . | * | trans | -73.8 | 143 | 179.7 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | E533 K537 E538 | E533-T535 PolarHBondContact O-N 3.35Å; T535-K537 PolarHBondContact O-N 3.34Å; T535-E538 PolarHBondContact O-N 3.09Å | ||
| 536 | D | 57.7 | Low | 58.7 | Low | 142 Ų | 142 | 127.1 Ų | 127.1 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -51 | -30.3 | -176.2 | -63 | -64.1 | 0 | 0 | 0 | 113.4 | E538 L539 E540 | D536-E538 PolarHBondContact O-N 2.93Å; D536-L539 VanDerWaalsContact O-CB 3.31Å; D536-L539 WeakPolarHBondContact O-CB 3.46Å; D536-L539 PolarHBondContact O-N 2.94Å; D536-E540 PolarHBondContact O-N 3.41Å |
| 537 | K | 56.2 | Low | 59.2 | Low | 140 Ų | 140 | 124.5 Ų | 124.5 | 61% | 0.609 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -59.7 | -40.9 | 177.8 | -165.8 | -176.9 | 177.8 | -163.7 | 0 | 113.5 | T535 L539 E540 E541 | T535-K537 PolarHBondContact O-N 3.34Å; K537-L539 VanDerWaalsContact C-N 3.33Å; K537-E540 PolarHBondContact O-N 2.91Å; K537-E541 WeakPolarHBondContact CE-OE1 3.36Å; K537-E541 WeakPolarHBondContact O-CG 3.3Å; K537-E541 PolarHBondContact O-N 2.8Å |
| 538 | E | 64.1 | Low | 59.9 | Low | 105 Ų | 105 | 126.6 Ų | 126.6 | 49% | 0.491 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.1 | -35.9 | 177.3 | -63.7 | -178.2 | 126.8 | 0 | 0 | 111.1 | T535 D536 E540 Y542 | T535-E538 PolarHBondContact O-N 3.09Å; D536-E538 PolarHBondContact O-N 2.93Å; E538-E540 VanDerWaalsContact C-N 3.27Å; E538-E540 PolarHBondContact O-N 3.39Å; E538-Y542 WeakPolarHBondContact O-CB 3.34Å; E538-Y542 PolarHBondContact O-N 3.27Å |
| 539 | L | 62.8 | Low | 60.7 | Low | 86 Ų | 86 | 128.1 Ų | 128.1 | 45% | 0.45 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.4 | -33.6 | 174.8 | -133.3 | 87.5 | 0 | 0 | 0 | 111.9 | D536 K537 R543 | D536-L539 VanDerWaalsContact O-CB 3.31Å; D536-L539 WeakPolarHBondContact O-CB 3.46Å; D536-L539 PolarHBondContact O-N 2.94Å; K537-L539 VanDerWaalsContact C-N 3.33Å; L539-R543 WeakPolarHBondContact O-CG 3.35Å; L539-R543 PolarHBondContact O-N 2.86Å |
| 540 | E | 63.5 | Low | 61 | Low | 133 Ų | 133 | 134.1 Ų | 134.1 | 62% | 0.621 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82.9 | -36.4 | -178.6 | -161.7 | 158.5 | -112.5 | 0 | 0 | 112.6 | D536 K537 E538 R543 K544 | D536-E540 PolarHBondContact O-N 3.41Å; K537-E540 PolarHBondContact O-N 2.91Å; E538-E540 VanDerWaalsContact C-N 3.27Å; E538-E540 PolarHBondContact O-N 3.39Å; E540-R543 PolarHBondContact O-N 3.5Å; E540-K544 PolarHBondContact O-N 2.83Å; E540-K544 VanDerWaalsContact O-N 3.12Å |
| 541 | E | 69.8 | Low | 61.1 | Low | 115 Ų | 115 | 135.2 Ų | 135.2 | 54% | 0.537 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.9 | -40.3 | 169.2 | -73.5 | 178.5 | -164.6 | 0 | 0 | 111.6 | K537 R543 K544 E545 | K537-E541 WeakPolarHBondContact CE-OE1 3.36Å; K537-E541 WeakPolarHBondContact O-CG 3.3Å; K537-E541 PolarHBondContact O-N 2.8Å; E541-R543 PolarHBondContact O-N 3.43Å; E541-K544 PolarHBondContact O-N 2.79Å; E541-E545 PolarHBondContact O-N 3.18Å; E541-E545 VanDerWaalsContact O-N 3.09Å |
| 542 | Y | 62.5 | Low | 60.8 | Low | 173 Ų | 173 | 130.2 Ų | 130.2 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.4 | -40.3 | 173.8 | -176.6 | -102.7 | 0 | 0 | 0 | 112.8 | E538 K544 E545 V546 | E538-Y542 WeakPolarHBondContact O-CB 3.34Å; E538-Y542 PolarHBondContact O-N 3.27Å; Y542-K544 VanDerWaalsContact C-N 3.35Å; Y542-K544 PolarHBondContact O-N 2.71Å; Y542-E545 PolarHBondContact O-N 3.44Å; Y542-V546 HydrophobicContact CD1-CG2 4.37Å; Y542-V546 HydrophobicContact CE1-CG2 3.98Å; Y542-V546 HydrophobicContact CE2-CG2 4.43Å; Y542-V546 WeakPolarHBondContact O-CG2 3.45Å; Y542-V546 PolarHBondContact O-N 3.37Å; Y542-V546 VanDerWaalsContact O-N 3.14Å |
| 543 | R | 72.5 | Confident | 60 | Low | 165 Ų | 165 | 127 Ų | 127 | 62% | 0.623 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.7 | -43.4 | 174.2 | -74.9 | 173.5 | -172.3 | -161.8 | 4.4 | 111.7 | L539 E540 E541 V546 E547 | L539-R543 WeakPolarHBondContact O-CG 3.35Å; L539-R543 PolarHBondContact O-N 2.86Å; E540-R543 PolarHBondContact O-N 3.5Å; E541-R543 PolarHBondContact O-N 3.43Å; R543-V546 PolarHBondContact O-N 3.4Å; R543-E547 PolarHBondContact O-N 3.06Å |
| 544 | K | 69.1 | Low | 58.8 | Low | 149 Ų | 149 | 125 Ų | 125 | 65% | 0.648 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.5 | -41.7 | 177.5 | -97.6 | 177 | 174.1 | 170 | 0 | 113.7 | E540 E541 Y542 E547 R548 | E540-K544 PolarHBondContact O-N 2.83Å; E540-K544 VanDerWaalsContact O-N 3.12Å; E541-K544 PolarHBondContact O-N 2.79Å; Y542-K544 VanDerWaalsContact C-N 3.35Å; Y542-K544 PolarHBondContact O-N 2.71Å; K544-E547 PolarHBondContact O-N 3.48Å; K544-R548 WeakPolarHBondContact O-CB 3.39Å; K544-R548 PolarHBondContact O-N 3.37Å |
| 545 | E | 70.5 | Confident | 58 | Low | 73 Ų | 73 | 126.5 Ų | 126.5 | 34% | 0.341 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -71.7 | -30.9 | 178.8 | -177.2 | 59.6 | -167.9 | 0 | 0 | 112.4 | E541 Y542 R548 K549 | E541-E545 PolarHBondContact O-N 3.18Å; E541-E545 VanDerWaalsContact O-N 3.09Å; Y542-E545 PolarHBondContact O-N 3.44Å; E545-R548 VanDerWaalsContact CD-NH2 3.34Å; E545-R548 IonicContact OE1-CZ 3.71Å; E545-R548 IonicContact OE1-NE 2.68Å; E545-R548 IonicContact OE1-NH2 3.43Å; E545-R548 PolarHBondContact OE1-NH2 3.05Å; E545-R548 IonicContact OE2-CZ 3.35Å; E545-R548 IonicContact OE2-NE 2.65Å; E545-R548 PolarHBondContact OE2-NE 2.97Å; E545-R548 IonicContact OE2-NH2 2.66Å; E545-R548 PolarHBondContact OE2-NH2 2.99Å; E545-R548 VanDerWaalsContact OE2-NH2 3.09Å; E545-K549 WeakPolarHBondContact O-CB 3.38Å; E545-K549 WeakPolarHBondContact O-CG 3.47Å; E545-K549 PolarHBondContact O-N 3.21Å; E545-K549 VanDerWaalsContact O-N 3.11Å; E545-K549 WeakPolarHBondContact OE1-CE 3.48Å; E545-K549 IonicContact OE1-NZ 2.73Å |
| 546 | V | 69.3 | Low | 56.5 | Low | 75 Ų | 75 | 125.9 Ų | 125.9 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -66.4 | -39.4 | 171.1 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | Y542 R543 R550 | Y542-V546 HydrophobicContact CD1-CG2 4.37Å; Y542-V546 HydrophobicContact CE1-CG2 3.98Å; Y542-V546 HydrophobicContact CE2-CG2 4.43Å; Y542-V546 WeakPolarHBondContact O-CG2 3.45Å; Y542-V546 PolarHBondContact O-N 3.37Å; Y542-V546 VanDerWaalsContact O-N 3.14Å; R543-V546 PolarHBondContact O-N 3.4Å; V546-R550 PolarHBondContact O-N 3.46Å |
| 547 | E | 63.8 | Low | 55.2 | Low | 128 Ų | 128 | 127.9 Ų | 127.9 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.3 | -46.7 | 176.2 | -164 | 160 | -114.4 | 0 | 0 | 111.3 | R543 K544 K549 R550 D551 | R543-E547 PolarHBondContact O-N 3.06Å; K544-E547 PolarHBondContact O-N 3.48Å; E547-K549 PolarHBondContact O-N 3.35Å; E547-R550 WeakPolarHBondContact O-CA 3.25Å; E547-R550 VanDerWaalsContact O-CB 3.24Å; E547-R550 WeakPolarHBondContact O-CB 3.39Å; E547-R550 PolarHBondContact O-N 3.44Å; E547-D551 PolarHBondContact O-N 3.21Å |
| 548 | R | 59.3 | Low | 53.9 | Low | 163 Ų | 163 | 130 Ų | 130 | 62% | 0.615 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -61.2 | -27 | 176.6 | -161.2 | -174 | 70.6 | 81.9 | 5 | 113.8 | K544 E545 | K544-R548 WeakPolarHBondContact O-CB 3.39Å; K544-R548 PolarHBondContact O-N 3.37Å; E545-R548 VanDerWaalsContact CD-NH2 3.34Å; E545-R548 IonicContact OE1-CZ 3.71Å; E545-R548 IonicContact OE1-NE 2.68Å; E545-R548 IonicContact OE1-NH2 3.43Å; E545-R548 PolarHBondContact OE1-NH2 3.05Å; E545-R548 IonicContact OE2-CZ 3.35Å; E545-R548 IonicContact OE2-NE 2.65Å; E545-R548 PolarHBondContact OE2-NE 2.97Å; E545-R548 IonicContact OE2-NH2 2.66Å; E545-R548 PolarHBondContact OE2-NH2 2.99Å; E545-R548 VanDerWaalsContact OE2-NH2 3.09Å |
| 549 | K | 64.6 | Low | 52.4 | Low | 156 Ų | 156 | 130.5 Ų | 130.5 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -5.5 | 172.3 | -76.6 | -170.9 | 176.7 | 177.1 | 0 | 114.5 | E545 E547 | E545-K549 WeakPolarHBondContact O-CB 3.38Å; E545-K549 WeakPolarHBondContact O-CG 3.47Å; E545-K549 PolarHBondContact O-N 3.21Å; E545-K549 VanDerWaalsContact O-N 3.11Å; E545-K549 WeakPolarHBondContact OE1-CE 3.48Å; E545-K549 IonicContact OE1-NZ 2.73Å; E547-K549 PolarHBondContact O-N 3.35Å |
| 550 | R | 57.6 | Low | 50.8 | Low | 216 Ų | 216 | 134.3 Ų | 134.3 | 82% | 0.815 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -33.2 | 177.7 | -141.7 | 175.7 | -169.7 | -176.1 | 1.3 | 112.5 | V546 E547 | V546-R550 PolarHBondContact O-N 3.46Å; E547-R550 WeakPolarHBondContact O-CA 3.25Å; E547-R550 VanDerWaalsContact O-CB 3.24Å; E547-R550 WeakPolarHBondContact O-CB 3.39Å; E547-R550 PolarHBondContact O-N 3.44Å |
| 551 | D | 51.9 | Low | 49.2 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -100.6 | 7.3 | -174.2 | -60.7 | -12.7 | 0 | 0 | 0 | 113.3 | E547 G553 | E547-D551 PolarHBondContact O-N 3.21Å; D551-G553 PolarHBondContact O-N 3.03Å |
| 552 | G | 40.8 | Very low | 47.1 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | trans | -95.9 | 88.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 553 | G | 34.7 | Very low | 45.4 | Very low | 58 Ų | 58 | 132.3 Ų | 132.3 | 60% | 0.598 | 70% | 0.702 | S | S | * | * | trans | -165.5 | 139.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D551 | D551-G553 PolarHBondContact O-N 3.03Š| ||
| 554 | T | 31.7 | Very low | 43.2 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 84% | 0.84 | 72% | 0.716 | S | S | * | * | trans | 60.5 | 130.7 | -177.8 | 39.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 555 | D | 32.7 | Very low | 41.2 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | cis | -132.8 | 173 | 2.9 | -60.9 | -63.5 | 0 | 0 | 0 | 109.5 | ||||
| 556 | G | 31.3 | Very low | 40.2 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | 89.1 | 138.8 | 81.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 557 | E | 31.6 | Very low | 38.5 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | cis | -167.3 | 146.2 | -12.2 | -138.3 | 161.3 | -152.5 | 0 | 0 | 111.2 | ||||
| 558 | E | 29.1 | Very low | 36.7 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | 59.3 | 164 | 173.4 | -48.6 | -163.8 | 142.8 | 0 | 0 | 117.8 | ||||
| 559 | V | 32.3 | Very low | 35.1 | Very low | 115 Ų | 115 | 133 Ų | 133 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | cis | -154.2 | 140.7 | 29.9 | 161.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 560 | E | 29 | Very low | 33.4 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | 35.5 | 157.4 | 149.9 | -72.7 | -156.8 | 107 | 0 | 0 | 124.9 | ||||
| 561 | N | 28.6 | Very low | 32.5 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | cis | -164.2 | 167.7 | -25.2 | -134.3 | -33.3 | 0 | 0 | 0 | 109.8 | ||||
| 562 | G | 26.1 | Very low | 31.2 | Very low | 69 Ų | 69 | 124.4 Ų | 124.4 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 131.2 | 76.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 563 | L | 27.7 | Very low | 30.5 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | 90 | 90.5 | 68.6 | -169.4 | 91.2 | 0 | 0 | 0 | 114.4 | |||||
| 564 | E | 25.7 | Very low | 29.9 | Very low | 197 Ų | 197 | 129 Ų | 129 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -154.3 | 157.6 | 135.3 | -125.6 | 176.5 | -161.6 | 0 | 0 | 109.5 | ||||
| 565 | S | 26.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -151.4 | 168.6 | -162.5 | 78.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 566 | P | 51 | Low | 29.3 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | trans | -98 | 178.9 | -153.3 | 41.1 | -39.7 | 0 | 0 | 0 | 115.6 | ||||
| 567 | P | 32.9 | Very low | 29 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | -137 | 157.6 | 99.1 | 34.5 | -20.4 | 0 | 0 | 0 | 112.8 | |||||
| 568 | A | 26.7 | Very low | 28.6 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | cis | 83.8 | 99.8 | 28.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 569 | T | 24 | Very low | 28.4 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -162.1 | 139.8 | 154.9 | 39.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 570 | S | 29.8 | Very low | 28.6 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -115.6 | -176.7 | 150.3 | -52 | 0 | 0 | 0 | 0 | 107 | ||||
| 571 | P | 39.5 | Very low | 28.8 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | -144.4 | -160.7 | 6.3 | 39.9 | -16.2 | 0 | 0 | 0 | 115.6 | ||||
| 572 | T | 23.8 | Very low | 28.8 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | trans | 61.5 | 118.6 | 152 | 45.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 573 | N | 25.1 | Very low | 28.7 | Very low | 159 Ų | 159 | 124.8 Ų | 124.8 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | -178.1 | 159.9 | 93.4 | -100.2 | -32.6 | 0 | 0 | 0 | 114.6 | |||||
| 574 | G | 23.5 | Very low | 28.4 | Very low | 63 Ų | 63 | 121 Ų | 121 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -88.3 | -176.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 575 | P | 28.6 | Very low | 28.3 | Very low | 141 Ų | 141 | 119.7 Ų | 119.7 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | -140.2 | -153.2 | 63.9 | 40.2 | -22 | 0 | 0 | 0 | 114 | |||||
| 576 | A | 22.8 | Very low | 28.2 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -140.7 | -177.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 577 | V | 24.5 | Very low | 26.9 | Very low | 143 Ų | 143 | 122.7 Ų | 122.7 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | 83.3 | 112.4 | 164.9 | -172.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 578 | S | 23.4 | Very low | 26.5 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -164.3 | 103.7 | 134.4 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 579 | L | 25.7 | Very low | 26.4 | Very low | 165 Ų | 165 | 128 Ų | 128 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -79 | 175.1 | 142 | -74 | 165.4 | 0 | 0 | 0 | 107.4 | ||||
| 580 | P | 36.6 | Very low | 26.4 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | cis | -135.6 | -150.6 | 19.8 | 43.8 | -20.9 | 0 | 0 | 0 | 110.4 | ||||
| 581 | P | 32.2 | Very low | 26.2 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | cis | -132.9 | 162.1 | -3.3 | 40.3 | -22.2 | 0 | 0 | 0 | 118.4 | ||||
| 582 | V | 28 | Very low | 25.7 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -91.3 | 149.4 | 155.6 | -167 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 583 | S | 23.9 | Very low | 25.7 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -123.6 | 147 | 159.3 | -75.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 584 | A | 23 | Very low | 25.7 | Very low | 89 Ų | 89 | 130 Ų | 130 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -120 | -172.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 585 | M | 23.5 | Very low | 25.8 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | trans | 73.5 | 146.9 | -178.3 | -61 | 161.6 | 128.9 | 0 | 0 | 113.5 | ||||
| 586 | E | 23.6 | Very low | 25.5 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | cis | -141.2 | 172.9 | 7.3 | -146.3 | 153.3 | -132.4 | 0 | 0 | 114.2 | ||||
| 587 | V | 24 | Very low | 25.5 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | trans | -71.4 | 143.4 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 588 | H | 24.7 | Very low | 25.5 | Very low | 181 Ų | 181 | 131 Ų | 131 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -141.8 | 124.6 | 146.5 | -116.6 | -80.1 | 0 | 0 | 0 | 111.7 | ||||
| 589 | N | 24 | Very low | 25.6 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -68.5 | 149 | 154.1 | -85.9 | -22.6 | 0 | 0 | 0 | 108.4 | ||||
| 590 | D | 23.9 | Very low | 25.7 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | -159.5 | 146.3 | 113.8 | -100.3 | -27.5 | 0 | 0 | 0 | 112.3 | |||||
| 591 | S | 26.2 | Very low | 25.2 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -104.5 | 167.7 | 160.1 | -62.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 592 | P | 29.1 | Very low | 24.9 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | -140 | 154.5 | 110.7 | 36 | -25.2 | 0 | 0 | 0 | 114.8 | |||||
| 593 | V | 23.6 | Very low | 24.8 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -112.8 | 115.7 | 170.2 | 172.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 594 | I | 25 | Very low | 25 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -151.2 | 124.9 | 154.9 | -58.6 | -173.8 | 0 | 0 | 0 | 104.7 | ||||
| 595 | Q | 24.5 | Very low | 25.2 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | cis | 100.4 | 113.4 | 17.4 | -157.5 | -176.2 | 43.9 | 0 | 0 | 115.6 | ||||
| 596 | N | 23.5 | Very low | 25.3 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 74.5 | 149.2 | 162.3 | -65.3 | -11.1 | 0 | 0 | 0 | 121.2 | ||||
| 597 | G | 23.5 | Very low | 25.5 | Very low | 82 Ų | 82 | 149.5 Ų | 149.5 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 115.5 | 115.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 598 | G | 22.8 | Very low | 25.7 | Very low | 72 Ų | 72 | 152.3 Ų | 152.3 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | cis | 135.3 | 100.1 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 599 | D | 26 | Very low | 25.9 | Very low | 165 Ų | 165 | 152.8 Ų | 152.8 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | trans | 33.9 | 124.6 | 164.6 | -56.2 | -27.5 | 0 | 0 | 0 | 121.1 | ||||
| 600 | E | 27.5 | Very low | 26.1 | Very low | 195 Ų | 195 | 155.5 Ų | 155.5 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | trans | -154.4 | 162.6 | 132.4 | -122.2 | 170.2 | -159.5 | 0 | 0 | 113.8 | ||||
| 601 | E | 26.8 | Very low | 26.3 | Very low | 169 Ų | 169 | 151.7 Ų | 151.7 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | trans | -50.4 | 144.6 | -160.3 | -64.3 | -164.1 | 124.7 | 0 | 0 | 118.6 | ||||
| 602 | K | 26.2 | Very low | 26.4 | Very low | 189 Ų | 189 | 155.9 Ų | 155.9 | 82% | 0.822 | 84% | 0.843 | S | S | * | * | 56.3 | 88.1 | 67.1 | -79.3 | -175.6 | -179.2 | 170.7 | 0 | 115.3 | |||||
| 603 | Q | 25.2 | Very low | 26.2 | Very low | 189 Ų | 189 | 160 Ų | 160 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | trans | -152.6 | 167.3 | 146.3 | -133.4 | 162 | 25.5 | 0 | 0 | 113.1 | ||||
| 604 | V | 28.4 | Very low | 26.3 | Very low | 136 Ų | 136 | 158.5 Ų | 158.5 | 82% | 0.824 | 85% | 0.848 | S | S | * | * | trans | 66.8 | 64.4 | 176.3 | -158.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 605 | T | 26.7 | Very low | 26.3 | Very low | 139 Ų | 139 | 159 Ų | 159 | 85% | 0.853 | 85% | 0.851 | S | S | * | * | trans | -132.2 | 75.6 | 149.8 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 606 | K | 27 | Very low | 26.3 | Very low | 198 Ų | 198 | 156.3 Ų | 156.3 | 86% | 0.861 | 85% | 0.849 | S | S | * | * | trans | -177.5 | 107.2 | 159.6 | -111.7 | 178.1 | -179.7 | -173.6 | 0 | 110.7 | ||||
| 607 | E | 27.6 | Very low | 26.4 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 90% | 0.902 | 84% | 0.844 | S | S | * | * | S | Bend | trans | 173.5 | 162.4 | 141.6 | -98.7 | 165.2 | -152.9 | 0 | 0 | 108.9 | ||
| 608 | L | 27.7 | Very low | 26.6 | Very low | 177 Ų | 177 | 156.3 Ų | 156.3 | 93% | 0.927 | 84% | 0.835 | S | S | * | * | trans | 66.7 | 40.6 | 179.6 | -58.8 | 172 | 0 | 0 | 0 | 117.4 | ||||
| 609 | E | 28.8 | Very low | 26.9 | Very low | 192 Ų | 192 | 159 Ų | 159 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | -117.6 | 57.5 | 147.7 | -163.1 | -177.9 | -157.6 | 0 | 0 | 110.9 | ||||
| 610 | E | 28.6 | Very low | 26.8 | Very low | 193 Ų | 193 | 157.4 Ų | 157.4 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -160.9 | 109.6 | 158.5 | -120 | 171.7 | -165.2 | 0 | 0 | 109.7 | ||||
| 611 | G | 28.2 | Very low | 26.8 | Very low | 75 Ų | 75 | 152.6 Ų | 152.6 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -168.1 | 75.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 612 | M | 26.7 | Very low | 26.8 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 93% | 0.931 | 81% | 0.813 | S | S | * | * | trans | 58.2 | 95.2 | 166.1 | -69.3 | 179.7 | 166.2 | 0 | 0 | 118.3 | ||||
| 613 | K | 26.1 | Very low | 26.6 | Very low | 216 Ų | 216 | 146.9 Ų | 146.9 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -77.1 | 135.1 | 132.8 | -77.3 | 179.5 | 177.2 | 173.2 | 0 | 109 | ||||
| 614 | A | 26.1 | Very low | 27.3 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -149 | 151.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 615 | L | 24.8 | Very low | 27 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -63.7 | 173.3 | -173.6 | -83.6 | 60 | 0 | 0 | 0 | 113.7 | ||||
| 616 | S | 24 | Very low | 27 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | cis | 152.9 | -177.6 | -15.6 | -169.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 617 | T | 26.4 | Very low | 28.1 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | trans | 76.4 | 141.8 | 170.4 | 73.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 618 | N | 28 | Very low | 28.6 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 64% | 0.642 | 79% | 0.793 | S | S | * | * | cis | -156.1 | 156 | -6.3 | -116.8 | 28 | 0 | 0 | 0 | 113.5 | ||||
| 619 | D | 27.6 | Very low | 28.7 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | trans | 56 | 148.7 | 145.8 | -56.2 | -28.5 | 0 | 0 | 0 | 121.6 | ||||
| 620 | T | 25.4 | Very low | 28.7 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | cis | -154.8 | -178.4 | 19 | -13.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 621 | S | 25.6 | Very low | 29.1 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | cis | -159.2 | 171.5 | 3.6 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 622 | S | 27.1 | Very low | 29 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 54.6 | 99.4 | 143 | 63.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 623 | T | 23.7 | Very low | 28.9 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -76.9 | -168 | 142.2 | 46.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 624 | P | 38.3 | Very low | 28.8 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | cis | -145.2 | -169.9 | 8.7 | 44.2 | -23.1 | 0 | 0 | 0 | 118.1 | ||||
| 625 | A | 22.9 | Very low | 28.8 | Very low | 94 Ų | 94 | 123.1 Ų | 123.1 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | 119 | 147.2 | 142.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 626 | T | 25.8 | Very low | 29.5 | Very low | 135 Ų | 135 | 119.9 Ų | 119.9 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | trans | -161.4 | 176.7 | -176.9 | 33.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 627 | P | 50.4 | Low | 29.5 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -115.7 | -162 | -46.4 | 38.6 | -22.9 | 0 | 0 | 0 | 110 | ||||
| 628 | P | 39.5 | Very low | 29.5 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | -141.3 | -165 | 109.4 | 29.9 | -8.5 | 0 | 0 | 0 | 111.1 | |||||
| 629 | V | 27.8 | Very low | 29.5 | Very low | 132 Ų | 132 | 123 Ų | 123 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | cis | -145.6 | 163.8 | 14.1 | -168.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 630 | K | 30.2 | Very low | 30.1 | Very low | 195 Ų | 195 | 122.4 Ų | 122.4 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -147.4 | 151.4 | 164.3 | -138.5 | 177.1 | -172.1 | 177.4 | 0 | 107.9 | ||||
| 631 | P | 35.8 | Very low | 30 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 63% | 0.63 | 78% | 0.777 | S | S | * | * | -159.2 | 169.1 | 96.1 | 41.6 | -23.1 | 0 | 0 | 0 | 117.5 | |||||
| 632 | Q | 27.3 | Very low | 30.1 | Very low | 195 Ų | 195 | 125.7 Ų | 125.7 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | 59.3 | 156.1 | 152.3 | -68.6 | 157.4 | 10.2 | 0 | 0 | 118.8 | ||||
| 633 | G | 24.8 | Very low | 30.4 | Very low | 80 Ų | 80 | 126.1 Ų | 126.1 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | cis | -153.5 | -167 | -5.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 634 | G | 23.8 | Very low | 31.2 | Very low | 66 Ų | 66 | 125.2 Ų | 125.2 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | -160.7 | 169.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 635 | T | 25.1 | Very low | 30.7 | Very low | 147 Ų | 147 | 124.3 Ų | 124.3 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | 64.3 | 162.5 | 176.2 | 68.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 636 | P | 39.4 | Very low | 31.2 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | cis | -132.6 | -171.6 | 3.8 | 46.1 | -30.3 | 0 | 0 | 0 | 116.1 | ||||
| 637 | E | 24.4 | Very low | 31.5 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | 64.2 | 154 | 160.2 | -66.4 | -179.3 | 132.8 | 0 | 0 | 120.2 | ||||
| 638 | G | 26.1 | Very low | 30.6 | Very low | 73 Ų | 73 | 137.4 Ų | 137.4 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 174.2 | -14.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 639 | S | 29.3 | Very low | 30.5 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | 67.1 | 169.8 | 171.9 | -79.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 640 | P | 38.8 | Very low | 30.7 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | trans | -125.5 | -170.6 | -149.3 | 45.2 | -34.7 | 0 | 0 | 0 | 117.7 | ||||
| 641 | C | 24.4 | Very low | 30.7 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 66% | 0.655 | 81% | 0.811 | S | S | * | * | trans | 94.6 | 108.7 | 152.3 | -79.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 642 | K | 27.6 | Very low | 30.5 | Very low | 199 Ų | 199 | 150.3 Ų | 150.3 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | 73.6 | 145.8 | 129.1 | -62.9 | 176 | -178.9 | 176.3 | 0 | 120.8 | |||||
| 643 | S | 34 | Very low | 31.1 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -72.6 | 171 | -179.7 | -33.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 644 | P | 39 | Very low | 31.6 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | -159.2 | 162.5 | 88.5 | 42 | -22.2 | 0 | 0 | 0 | 120.4 | |||||
| 645 | S | 28.7 | Very low | 32.1 | Very low | 101 Ų | 101 | 150.4 Ų | 150.4 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | trans | 61.7 | 113.6 | 138.7 | 65.6 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 646 | K | 33.4 | Very low | 32.5 | Very low | 205 Ų | 205 | 152.4 Ų | 152.4 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | 28.7 | 127.3 | 123.1 | -61.6 | 175 | 179.7 | 172.7 | 0 | 120.1 | |||||
| 647 | K | 31.7 | Very low | 32.1 | Very low | 216 Ų | 216 | 154.6 Ų | 154.6 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | trans | -149.1 | 150.7 | 141.5 | -114.5 | 164.5 | -171.2 | 170.8 | 0 | 112.8 | ||||
| 648 | K | 31.3 | Very low | 32.5 | Very low | 196 Ų | 196 | 155.5 Ų | 155.5 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | trans | -93.2 | 150.9 | -172.7 | -57.5 | 175.8 | 179.7 | -179.7 | 0 | 111.8 | ||||
| 649 | K | 36.6 | Very low | 32.8 | Very low | 218 Ų | 218 | 161.2 Ų | 161.2 | 95% | 0.948 | 82% | 0.823 | S | S | * | * | trans | -105.9 | 150.3 | 150.3 | -85.5 | -177.4 | 173.5 | 177 | 0 | 109.5 | ||||
| 650 | K | 33.8 | Very low | 32.9 | Very low | 200 Ų | 200 | 161.2 Ų | 161.2 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | trans | -114.8 | 161 | -172.5 | -78.4 | -173.1 | 174.8 | -175.9 | 0 | 112.3 | ||||
| 651 | F | 28.9 | Very low | 32.6 | Very low | 196 Ų | 196 | 165 Ų | 165 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -57.7 | 159.4 | 173.9 | -87.8 | -117.1 | 0 | 0 | 0 | 115.1 | ||||
| 652 | K | 32.8 | Very low | 33 | Very low | 200 Ų | 200 | 169.6 Ų | 169.6 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | trans | -125.3 | 134.8 | 136.9 | -86.5 | -171.7 | 173 | -176.4 | 0 | 108.7 | ||||
| 653 | P | 38.4 | Very low | 33.3 | Very low | 106 Ų | 106 | 168.7 Ų | 168.7 | 69% | 0.688 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 163.4 | 176.9 | 36.5 | -35.1 | 0 | 0 | 0 | 112.8 | ||
| 654 | P | 35 | Very low | 33.2 | Very low | 118 Ų | 118 | 171.7 Ų | 171.7 | 77% | 0.766 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 147.8 | 168.8 | 33.3 | -34.6 | 0 | 0 | 0 | 111.8 | ||
| 655 | S | 35.9 | Very low | 33 | Very low | 119 Ų | 119 | 174.1 Ų | 174.1 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 129.1 | 178.3 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 656 | F | 33.3 | Very low | 33.4 | Very low | 188 Ų | 188 | 177.8 Ų | 177.8 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 162.7 | 176.4 | -87.7 | -94.2 | 0 | 0 | 0 | 114.1 | ||
| 657 | L | 30.6 | Very low | 33.7 | Very low | 150 Ų | 150 | 172.7 Ų | 172.7 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | 60.6 | 114.2 | 153.4 | -71.2 | 158.8 | 0 | 0 | 0 | 119.1 | ||||
| 658 | K | 32.7 | Very low | 33.9 | Very low | 214 Ų | 214 | 170.6 Ų | 170.6 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -123.8 | 131.6 | 143.8 | -103.3 | -175.3 | 176.2 | -179.1 | 0 | 110.1 | ||||
| 659 | K | 32.7 | Very low | 34.4 | Very low | 193 Ų | 193 | 171 Ų | 171 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | trans | -82.1 | 137.5 | -179.2 | -61.1 | 174.5 | 180 | 178.3 | 0 | 109.9 | ||||
| 660 | S | 31.1 | Very low | 34.3 | Very low | 128 Ų | 128 | 168.7 Ų | 168.7 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | trans | -76.4 | 120.4 | 163.7 | 42.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 661 | K | 32.3 | Very low | 34.3 | Very low | 193 Ų | 193 | 167.1 Ų | 167.1 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | trans | -129.5 | 96.7 | 174 | -169.6 | -178.6 | 178.7 | -174.3 | 0 | 111 | ||||
| 662 | K | 32.9 | Very low | 34.6 | Very low | 193 Ų | 193 | 165.4 Ų | 165.4 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | trans | 3.8 | 117.4 | 146.5 | -170.2 | 178.2 | -168.8 | 172.5 | 0 | 115.9 | ||||
| 663 | Q | 33.5 | Very low | 34.7 | Very low | 181 Ų | 181 | 163.4 Ų | 163.4 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -127.3 | 153.1 | 158.6 | -154.2 | 162.6 | -7.4 | 0 | 0 | 108.8 | ||||
| 664 | K | 32.2 | Very low | 34.5 | Very low | 175 Ų | 175 | 167 Ų | 167 | 76% | 0.761 | 84% | 0.835 | S | S | * | * | trans | -154.2 | 113.8 | -167.6 | 176.8 | -169.4 | 175.7 | -178 | 0 | 110.4 | ||||
| 665 | E | 35.8 | Very low | 34.4 | Very low | 166 Ų | 166 | 170.3 Ų | 170.3 | 78% | 0.776 | 84% | 0.84 | S | S | * | * | trans | -140.1 | 136.8 | 167.6 | -101.1 | 159.8 | 138.5 | 0 | 0 | 105.7 | ||||
| 666 | K | 36.8 | Very low | 34.3 | Very low | 179 Ų | 179 | 173.9 Ų | 173.9 | 78% | 0.778 | 84% | 0.841 | S | S | * | * | cis | 63.7 | 131.4 | 38.6 | -75.2 | -152.5 | 167 | -162.4 | 0 | 112.4 | ||||
| 667 | V | 39.5 | Very low | 34.4 | Very low | 97 Ų | 97 | 172.8 Ų | 172.8 | 59% | 0.588 | 84% | 0.842 | S | S | * | * | cis | -155.9 | 174.8 | -2.2 | 101.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 668 | E | 35.6 | Very low | 34.7 | Very low | 172 Ų | 172 | 174.8 Ų | 174.8 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | trans | 65.4 | 147.8 | 178.2 | -74.9 | 132.7 | -142.6 | 0 | 0 | 115.3 | ||||
| 669 | T | 41.4 | Very low | 34.9 | Very low | 206 Ų | 206 | 171.2 Ų | 171.2 | 100% | 1.264 | 84% | 0.839 | S | S | * | * | cis | -128.6 | 0 | 2.1 | -30.8 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 669 of 669 residues in 1001.9 ms
(Link to these results)