| 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 | 40.4 | Very low | 42.6 | Very low | 249 Ų | 249 | 173.2 Ų | 173.2 | 100% | 1.227 | 86% | 0.857 | S | S | * | * | 0 | 128.2 | 0 | -92.3 | 169.7 | 171.2 | 0 | 0 | 108 | |||||
| 2 | R | 39.9 | Very low | 42.1 | Very low | 247 Ų | 247 | 165.8 Ų | 165.8 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | trans | -86.1 | 120.4 | -149.8 | -174.3 | -178.6 | -86.4 | 166.4 | -8.3 | 112.2 | ||||
| 3 | T | 40.6 | Very low | 42.1 | Very low | 138 Ų | 138 | 163.3 Ų | 163.3 | 85% | 0.847 | 83% | 0.826 | S | S | * | * | trans | -94.6 | 139 | 163.3 | 39.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 4 | K | 46.4 | Very low | 42.2 | Very low | 167 Ų | 167 | 160.1 Ų | 160.1 | 73% | 0.726 | 81% | 0.812 | S | S | * | * | trans | -150.5 | 113 | 165.6 | -145.1 | -173.7 | -168.4 | -135.6 | 0 | 109.5 | D6 | K4-D6 VanDerWaalsContact CD-OD2 3.32Å; K4-D6 WeakPolarHBondContact CD-OD2 3.31Å; K4-D6 WeakPolarHBondContact CE-OD2 3.34Å; K4-D6 IonicContact NZ-OD2 2.66Å; K4-D6 PolarHBondContact NZ-OD2 3.32Å | ||
| 5 | M | 44.1 | Very low | 41.9 | Very low | 187 Ų | 187 | 159.9 Ų | 159.9 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -116.8 | 120.5 | 161.1 | -84.1 | 167.9 | 81.6 | 0 | 0 | 104.9 | ||||
| 6 | D | 46.9 | Very low | 42 | Very low | 115 Ų | 115 | 159.6 Ų | 159.6 | 62% | 0.615 | 81% | 0.806 | S | S | * | * | trans | -125.7 | 112.3 | 173.1 | -66.1 | -45.3 | 0 | 0 | 0 | 107.6 | K4 | K4-D6 VanDerWaalsContact CD-OD2 3.32Å; K4-D6 WeakPolarHBondContact CD-OD2 3.31Å; K4-D6 WeakPolarHBondContact CE-OD2 3.34Å; K4-D6 IonicContact NZ-OD2 2.66Å; K4-D6 PolarHBondContact NZ-OD2 3.32Å | ||
| 7 | D | 43 | Very low | 41.9 | Very low | 166 Ų | 166 | 159.5 Ų | 159.5 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -118.4 | 123.9 | 161 | -91.7 | -34.4 | 0 | 0 | 0 | 107.7 | ||||
| 8 | K | 46.6 | Very low | 41.8 | Very low | 208 Ų | 208 | 155.9 Ų | 155.9 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -149.9 | 113.9 | 167.6 | -103 | -179.7 | -174 | -73.9 | 0 | 109.3 | ||||
| 9 | L | 39 | Very low | 41.6 | Very low | 164 Ų | 164 | 153.5 Ų | 153.5 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | -83.6 | 156.3 | 154.7 | -160.6 | 76.2 | 0 | 0 | 0 | 108.4 | ||||
| 10 | P | 40.9 | Very low | 41.7 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | -156.9 | 170.3 | 99.5 | 37.8 | -17 | 0 | 0 | 0 | 116.5 | |||||
| 11 | L | 40.3 | Very low | 41.8 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | 35.3 | 151.9 | 142.6 | -92.5 | 86.2 | 0 | 0 | 0 | 120.8 | ||||
| 12 | S | 37.2 | Very low | 41.8 | Very low | 84 Ų | 84 | 145.2 Ų | 145.2 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | cis | 173.8 | 172.1 | 3.4 | -171.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 13 | N | 42.1 | Very low | 41.7 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | 81.2 | 145.2 | 159.2 | -56.7 | -4.5 | 0 | 0 | 0 | 117 | ||||
| 14 | N | 43.3 | Very low | 41.8 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 63% | 0.631 | 76% | 0.761 | S | S | * | * | cis | -164.2 | 141.4 | 2.8 | -106.2 | 10.9 | 0 | 0 | 0 | 106.8 | ||||
| 15 | E | 38.1 | Very low | 41.3 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | 72.5 | 121.7 | 99.9 | -133.6 | -175.3 | 152.7 | 0 | 0 | 113.6 | |||||
| 16 | I | 43 | Very low | 41 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | 178.2 | 147.3 | 80.8 | -78.5 | 157.1 | 0 | 0 | 0 | 110.6 | |||||
| 17 | L | 40.1 | Very low | 40.6 | Very low | 158 Ų | 158 | 133 Ų | 133 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -81.3 | -158.4 | 177.8 | -146.2 | 61.1 | 0 | 0 | 0 | 111.4 | ||||
| 18 | P | 40.9 | Very low | 40.5 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 62% | 0.617 | 76% | 0.76 | S | S | * | * | cis | -146.8 | 176.5 | -12.4 | 34.7 | -11 | 0 | 0 | 0 | 119.8 | ||||
| 19 | S | 37 | Very low | 40.2 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 66.6 | 147.2 | 141.1 | 61.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 20 | S | 44.6 | Very low | 40.6 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | cis | -166.4 | 154.4 | 32.3 | 44.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 21 | E | 43.1 | Very low | 40.7 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | 62.4 | 140.5 | 145.2 | -67.7 | 168.6 | 135 | 0 | 0 | 119.9 | ||||
| 22 | S | 40.2 | Very low | 40.5 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | cis | -164 | 135.9 | 26.9 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 23 | V | 38.5 | Very low | 40.7 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 39 | 119.3 | 131 | -161.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 24 | V | 42.1 | Very low | 41.1 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | 170.9 | 134.5 | 105.3 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 25 | A | 36.4 | Very low | 41.4 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | trans | -69.2 | 158.6 | -174 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 26 | S | 39.1 | Very low | 42 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | 173 | 121.6 | 115.6 | -67.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 27 | T | 37.6 | Very low | 42.4 | Very low | 138 Ų | 138 | 138 Ų | 138 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | trans | 59 | 106.8 | 141.6 | 57.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 28 | D | 41.2 | Very low | 43.1 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | -173.8 | 133.2 | 116.9 | -148.4 | -0.5 | 0 | 0 | 0 | 110.1 | P30 | D28-P30 WeakPolarHBondContact O-CD 3.44Š| |||
| 29 | H | 40.2 | Very low | 44.1 | Very low | 186 Ų | 186 | 131 Ų | 131 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | trans | -105.9 | 106.7 | -176.2 | -109.7 | -61.9 | 0 | 0 | 0 | 110.7 | ||||
| 30 | P | 46.8 | Very low | 45.6 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 69% | 0.688 | 72% | 0.715 | S | S | * | * | trans | -99.4 | 135.8 | 159.6 | 31.8 | -22.8 | 0 | 0 | 0 | 110.4 | D28 Q32 | D28-P30 WeakPolarHBondContact O-CD 3.44Å; P30-Q32 PolarHBondContact O-N 3.24Å | ||
| 31 | F | 42.8 | Very low | 46.9 | Very low | 195 Ų | 195 | 124.8 Ų | 124.8 | 86% | 0.855 | 69% | 0.694 | S | S | * | * | trans | -44.6 | 119.9 | -178.7 | -61.8 | -91.1 | 0 | 0 | 0 | 113.7 | Y33 | F31-Y33 WeakPolarHBondContact O-CD1 3.15Å; F31-Y33 PolarHBondContact O-N 3.36Å | ||
| 32 | Q | 35.7 | Very low | 48.3 | Very low | 156 Ų | 156 | 120.4 Ų | 120.4 | 73% | 0.729 | 68% | 0.682 | S | S | * | * | trans | -81 | 103.4 | -176.1 | -165.2 | 165.1 | 17.8 | 0 | 0 | 110.5 | P30 E34 | P30-Q32 PolarHBondContact O-N 3.24Å; Q32-E34 VanDerWaalsContact C-N 3.27Å; Q32-E34 HydrophobicContact CG-CB 3.88Å; Q32-E34 VanDerWaalsContact CG-OE2 3.31Å; Q32-E34 WeakPolarHBondContact CG-OE2 3.12Å | ||
| 33 | Y | 42.6 | Very low | 49.7 | Very low | 175 Ų | 175 | 116.2 Ų | 116.2 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | trans | -89.6 | 9.9 | 169.4 | 50.6 | -92.9 | 0 | 0 | 0 | 112 | F31 E35 | F31-Y33 WeakPolarHBondContact O-CD1 3.15Å; F31-Y33 PolarHBondContact O-N 3.36Å; Y33-E35 PolarHBondContact O-N 2.74Å | ||
| 34 | E | 50.2 | Low | 51.3 | Low | 110 Ų | 110 | 115.3 Ų | 115.3 | 51% | 0.514 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -67 | -11.2 | 179.9 | -88.7 | 87.3 | 175.5 | 0 | 0 | 115.5 | Q32 | Q32-E34 VanDerWaalsContact C-N 3.27Å; Q32-E34 HydrophobicContact CG-CB 3.88Å; Q32-E34 VanDerWaalsContact CG-OE2 3.31Å; Q32-E34 WeakPolarHBondContact CG-OE2 3.12Å |
| 35 | E | 49.4 | Very low | 52.9 | Low | 185 Ų | 185 | 114.3 Ų | 114.3 | 86% | 0.864 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -83.4 | -7 | -178.5 | -67.9 | -132.9 | 147.4 | 0 | 0 | 115.4 | Y33 | Y33-E35 PolarHBondContact O-N 2.74Š|
| 36 | L | 51.3 | Low | 54.6 | Low | 173 Ų | 173 | 112.9 Ų | 112.9 | 91% | 0.906 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -95.2 | 1.5 | 173.6 | -142.1 | 76.7 | 0 | 0 | 0 | 113.7 | ||
| 37 | M | 51.2 | Low | 56.1 | Low | 107 Ų | 107 | 115.4 Ų | 115.4 | 53% | 0.527 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -101.9 | -0.8 | -176.3 | -69.4 | -106.4 | -163.8 | 0 | 0 | 113.7 | G39 R51 | M37-G39 PolarHBondContact O-N 3.46Å; M37-G39 VanDerWaalsContact O-N 3.14Å; M37-R51 PolarHBondContact SD-NH1 3.14Å |
| 38 | G | 54.2 | Low | 57.5 | Low | 78 Ų | 78 | 111.3 Ų | 111.3 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 5.3 | -179 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 39 | G | 61.6 | Low | 58.8 | Low | 28 Ų | 28 | 109.8 Ų | 109.8 | 29% | 0.289 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -143.2 | 25.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | M37 K54 | M37-G39 PolarHBondContact O-N 3.46Å; M37-G39 VanDerWaalsContact O-N 3.14Å; G39-K54 WeakPolarHBondContact O-CA 3.49Å; G39-K54 WeakPolarHBondContact O-CB 3.24Å; G39-K54 WeakPolarHBondContact O-CG 3.28Å; G39-K54 PolarHBondContact O-N 2.89Å |
| 40 | S | 68.3 | Low | 60.5 | Low | 40 Ų | 40 | 101.9 Ų | 101.9 | 28% | 0.28 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 132.7 | 178.2 | 68.5 | 0 | 0 | 0 | 0 | 112.9 | I52 | S40-I52 CarbonylContact C-O 3.51Å; S40-I52 VanDerWaalsContact CA-O 3.24Å; S40-I52 WeakPolarHBondContact CA-O 2.96Å |
| 41 | V | 71.5 | Confident | 61.7 | Low | 32 Ų | 32 | 105.5 Ų | 105.5 | 19% | 0.194 | 59% | 0.589 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 144.3 | 173 | -65 | 0 | 0 | 0 | 0 | 110.4 | C43 I52 K54 | V41-C43 PolarHBondContact O-N 2.86Å; V41-I52 HydrophobicContact CG2-CB 4.13Å; V41-I52 PolarHBondContact N-O 2.95Å; V41-I52 PolarHBondContact O-N 2.64Å; V41-K54 HydrophobicContact CG1-CG 4.15Å |
| 42 | P | 72.8 | Confident | 63 | Low | 94 Ų | 94 | 97.6 Ų | 97.6 | 61% | 0.61 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.2 | 134.4 | 175.6 | 26.1 | -32.7 | 0 | 0 | 0 | 110.5 | P44 | P42-P44 VanDerWaalsContact O-CD 3.28Å; P42-P44 WeakPolarHBondContact O-CD 3.33Å |
| 43 | C | 70.3 | Confident | 64.8 | Low | 17 Ų | 17 | 93.1 Ų | 93.1 | 12% | 0.115 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 116.9 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | V41 S45 C46 G50 I52 | V41-C43 PolarHBondContact O-N 2.86Å; C43-S45 PolarHBondContact O-N 3.34Å; C43-C46 HydrophobicContact CB-CB 4.02Å; C43-C46 PolarHBondContact O-N 2.89Å; C43-G50 WeakPolarHBondContact CB-O 3.48Å; C43-G50 PolarHBondContact N-O 2.85Å; C43-I52 HydrophobicContact CB-CD1 3.63Å; C43-I52 HydrophobicContact CB-CG1 3.86Å |
| 44 | P | 72.6 | Confident | 65.8 | Low | 116 Ų | 116 | 90.1 Ų | 90.1 | 75% | 0.753 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -66.2 | -27.4 | 178.3 | 25.6 | -32.5 | 0 | 0 | 0 | 112.4 | P42 C46 | P42-P44 VanDerWaalsContact O-CD 3.28Å; P42-P44 WeakPolarHBondContact O-CD 3.33Å; P44-C46 VanDerWaalsContact C-N 3.34Å; P44-C46 PolarHBondContact O-N 3.48Å |
| 45 | S | 74.8 | Confident | 66.4 | Low | 114 Ų | 114 | 93.1 Ų | 93.1 | 80% | 0.797 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -75.3 | -20.3 | 178.8 | -54.6 | 0 | 0 | 0 | 0 | 113.9 | C43 | C43-S45 PolarHBondContact O-N 3.34Š|
| 46 | C | 73 | Confident | 66.9 | Low | 55 Ų | 55 | 89.7 Ų | 89.7 | 37% | 0.372 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -100.6 | 17.5 | -177.9 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | C43 P44 G48 T49 | C43-C46 HydrophobicContact CB-CB 4.02Å; C43-C46 PolarHBondContact O-N 2.89Å; P44-C46 VanDerWaalsContact C-N 3.34Å; P44-C46 PolarHBondContact O-N 3.48Å; C46-G48 PolarHBondContact O-N 3.16Å; C46-G48 VanDerWaalsContact O-N 3.1Å; C46-T49 WeakPolarHBondContact O-CB 3.49Å; C46-T49 PolarHBondContact O-N 3.1Å; C46-T49 PolarHBondContact O-OG1 3.41Å |
| 47 | N | 70.5 | Confident | 67.2 | Low | 157 Ų | 157 | 86 Ų | 86 | 84% | 0.84 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 37.4 | -177.7 | -160 | 35.1 | 0 | 0 | 0 | 112.9 | T49 | N47-T49 VanDerWaalsContact C-N 3.34Å; N47-T49 PolarHBondContact O-N 3.07Å |
| 48 | G | 67.5 | Low | 67.5 | Low | 53 Ų | 53 | 90 Ų | 90 | 55% | 0.546 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -0.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | C46 | C46-G48 PolarHBondContact O-N 3.16Å; C46-G48 VanDerWaalsContact O-N 3.1Å |
| 49 | T | 68.6 | Low | 67.8 | Low | 128 Ų | 128 | 93.9 Ų | 93.9 | 79% | 0.785 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -83.6 | -18.3 | 179.3 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | C46 N47 | C46-T49 WeakPolarHBondContact O-CB 3.49Å; C46-T49 PolarHBondContact O-N 3.1Å; C46-T49 PolarHBondContact O-OG1 3.41Å; N47-T49 VanDerWaalsContact C-N 3.34Å; N47-T49 PolarHBondContact O-N 3.07Å |
| 50 | G | 74 | Confident | 67.6 | Low | 20 Ų | 20 | 97.9 Ų | 97.9 | 21% | 0.206 | 53% | 0.532 | C | S | . | . | trans | -104.7 | 150.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C43 | C43-G50 WeakPolarHBondContact CB-O 3.48Å; C43-G50 PolarHBondContact N-O 2.85Å | ||
| 51 | R | 73.8 | Confident | 67.3 | Low | 182 Ų | 182 | 101 Ų | 101 | 69% | 0.687 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.8 | 173.2 | -72.3 | -173.9 | 169.2 | 168.4 | -1 | 109.9 | M37 | M37-R51 PolarHBondContact SD-NH1 3.14Å |
| 52 | I | 70.1 | Confident | 67.2 | Low | 30 Ų | 30 | 103.7 Ų | 103.7 | 15% | 0.154 | 58% | 0.575 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.9 | -179.9 | -57.5 | 158.4 | 0 | 0 | 0 | 108.1 | S40 V41 C43 Q56 L60 | S40-I52 CarbonylContact C-O 3.51Å; S40-I52 VanDerWaalsContact CA-O 3.24Å; S40-I52 WeakPolarHBondContact CA-O 2.96Å; V41-I52 HydrophobicContact CG2-CB 4.13Å; V41-I52 PolarHBondContact N-O 2.95Å; V41-I52 PolarHBondContact O-N 2.64Å; C43-I52 HydrophobicContact CB-CD1 3.63Å; C43-I52 HydrophobicContact CB-CG1 3.86Å; I52-Q56 HydrophobicContact CG2-CB 4.44Å; I52-L60 HydrophobicContact CG2-CD1 4.22Å |
| 53 | P | 72 | Confident | 66.9 | Low | 62 Ų | 62 | 106.6 Ų | 106.6 | 40% | 0.403 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.1 | 133.3 | 174.6 | 26.1 | -31.7 | 0 | 0 | 0 | 110.8 | E55 Q56 | P53-E55 PolarHBondContact O-N 3.07Å; P53-E55 VanDerWaalsContact O-N 3.07Å; P53-Q56 HydrophobicContact CG-CB 4.32Å; P53-Q56 HydrophobicContact CG-CG 4.04Å; P53-Q56 PolarHBondContact O-N 3.39Å |
| 54 | K | 64.1 | Low | 66.8 | Low | 111 Ų | 111 | 111.4 Ų | 111.4 | 48% | 0.483 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -55.6 | -25.1 | -179.3 | -86.3 | -176.2 | 176.9 | -178.3 | 0 | 113.5 | G39 V41 Q56 E57 | G39-K54 WeakPolarHBondContact O-CA 3.49Å; G39-K54 WeakPolarHBondContact O-CB 3.24Å; G39-K54 WeakPolarHBondContact O-CG 3.28Å; G39-K54 PolarHBondContact O-N 2.89Å; V41-K54 HydrophobicContact CG1-CG 4.15Å; K54-Q56 PolarHBondContact O-N 3.31Å; K54-E57 WeakPolarHBondContact O-CB 3.32Å; K54-E57 PolarHBondContact O-N 3.35Å; K54-E57 VanDerWaalsContact O-N 3.16Å |
| 55 | E | 63.7 | Low | 66.6 | Low | 173 Ų | 173 | 109.3 Ų | 109.3 | 81% | 0.808 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.4 | -28.1 | 174.9 | -151.3 | 64.2 | -153.5 | 0 | 0 | 112.2 | P53 | P53-E55 PolarHBondContact O-N 3.07Å; P53-E55 VanDerWaalsContact O-N 3.07Å |
| 56 | Q | 59.2 | Low | 66.3 | Low | 113 Ų | 113 | 112.8 Ų | 112.8 | 53% | 0.528 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -91.8 | -8.5 | 176.2 | -66 | -172.8 | -18.8 | 0 | 0 | 113.1 | I52 P53 K54 K58 Q59 L60 | I52-Q56 HydrophobicContact CG2-CB 4.44Å; P53-Q56 HydrophobicContact CG-CB 4.32Å; P53-Q56 HydrophobicContact CG-CG 4.04Å; P53-Q56 PolarHBondContact O-N 3.39Å; K54-Q56 PolarHBondContact O-N 3.31Å; Q56-K58 VanDerWaalsContact C-N 3.3Å; Q56-K58 PolarHBondContact O-N 3.28Å; Q56-Q59 PolarHBondContact O-N 3.34Å; Q56-Q59 VanDerWaalsContact O-N 3.07Å; Q56-L60 PolarHBondContact O-N 3.32Å |
| 57 | E | 58.2 | Low | 66 | Low | 95 Ų | 95 | 116.1 Ų | 116.1 | 44% | 0.444 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.2 | -35 | -178.9 | -163 | 175.6 | -163.7 | 0 | 0 | 111.9 | K54 Q59 L60 | K54-E57 WeakPolarHBondContact O-CB 3.32Å; K54-E57 PolarHBondContact O-N 3.35Å; K54-E57 VanDerWaalsContact O-N 3.16Å; E57-Q59 PolarHBondContact O-N 2.84Å; E57-L60 HydrophobicContact CB-CD1 4.49Å; E57-L60 HydrophobicContact CG-CD1 4.38Å; E57-L60 PolarHBondContact O-N 3.49Å |
| 58 | K | 57.3 | Low | 66.1 | Low | 191 Ų | 191 | 110.8 Ų | 110.8 | 83% | 0.83 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -14.9 | 175.3 | -65.7 | 179 | -176.4 | 170.1 | 0 | 113.8 | Q56 | Q56-K58 VanDerWaalsContact C-N 3.3Å; Q56-K58 PolarHBondContact O-N 3.28Å |
| 59 | Q | 59.3 | Low | 66 | Low | 161 Ų | 161 | 117.4 Ų | 117.4 | 75% | 0.752 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -4.7 | 177 | -162.4 | 170.6 | 4.2 | 0 | 0 | 112.5 | Q56 E57 V61 | Q56-Q59 PolarHBondContact O-N 3.34Å; Q56-Q59 VanDerWaalsContact O-N 3.07Å; E57-Q59 PolarHBondContact O-N 2.84Å; Q59-V61 PolarHBondContact O-N 2.98Å |
| 60 | L | 57.9 | Low | 65.8 | Low | 111 Ų | 111 | 121.8 Ų | 121.8 | 58% | 0.581 | 61% | 0.609 | S | S | * | * | trans | -75.8 | 56 | 170 | -64.4 | 158.6 | 0 | 0 | 0 | 110.2 | I52 Q56 E57 A62 | I52-L60 HydrophobicContact CG2-CD1 4.22Å; Q56-L60 PolarHBondContact O-N 3.32Å; E57-L60 HydrophobicContact CB-CD1 4.49Å; E57-L60 HydrophobicContact CG-CD1 4.38Å; E57-L60 PolarHBondContact O-N 3.49Å; L60-A62 PolarHBondContact O-N 3.35Å | ||
| 61 | V | 61.6 | Low | 65.3 | Low | 106 Ų | 106 | 125.9 Ų | 125.9 | 64% | 0.642 | 63% | 0.625 | S | S | * | * | trans | -67.2 | 122.1 | 159.8 | 177.7 | 0 | 0 | 0 | 0 | 105.7 | Q59 L63 | Q59-V61 PolarHBondContact O-N 2.98Å; V61-L63 PolarHBondContact O-N 2.66Å | ||
| 62 | A | 70.4 | Confident | 65.1 | Low | 88 Ų | 88 | 123.1 Ų | 123.1 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | -63.3 | 88 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L60 I64 | L60-A62 PolarHBondContact O-N 3.35Å; A62-I64 VanDerWaalsContact C-N 3.32Å; A62-I64 PolarHBondContact O-N 2.73Å | ||
| 63 | L | 66.6 | Low | 65.1 | Low | 156 Ų | 156 | 125.6 Ų | 125.6 | 82% | 0.817 | 64% | 0.637 | S | S | * | * | trans | -69.2 | 95.1 | 168 | -69.5 | 167.3 | 0 | 0 | 0 | 106.3 | V61 P65 | V61-L63 PolarHBondContact O-N 2.66Å; L63-P65 VanDerWaalsContact O-CD 3.23Å; L63-P65 WeakPolarHBondContact O-CD 3.23Å | ||
| 64 | I | 68.1 | Low | 65.4 | Low | 117 Ų | 117 | 133.5 Ų | 133.5 | 60% | 0.6 | 66% | 0.658 | S | S | * | * | trans | -68 | 113.2 | 170.2 | -62.8 | 164.2 | 0 | 0 | 0 | 105.9 | A62 L66 D68 L71 | A62-I64 VanDerWaalsContact C-N 3.32Å; A62-I64 PolarHBondContact O-N 2.73Å; I64-L66 PolarHBondContact O-N 3.31Å; I64-D68 HydrophobicContact CG2-CB 4.41Å; I64-L71 HydrophobicContact CG2-CD1 4.06Å | ||
| 65 | P | 69.1 | Low | 66.2 | Low | 73 Ų | 73 | 135.7 Ų | 135.7 | 47% | 0.474 | 66% | 0.663 | S | S | . | * | trans | -61.3 | 133.9 | -179.8 | 22.8 | -28.3 | 0 | 0 | 0 | 108.7 | L63 T67 D68 | L63-P65 VanDerWaalsContact O-CD 3.23Å; L63-P65 WeakPolarHBondContact O-CD 3.23Å; P65-T67 PolarHBondContact O-N 2.91Å; P65-D68 HydrophobicContact CG-CB 4.08Å; P65-D68 WeakPolarHBondContact O-CB 3.45Å; P65-D68 PolarHBondContact O-N 3.05Å | ||
| 66 | L | 66.7 | Low | 67.2 | Low | 187 Ų | 187 | 131.2 Ų | 131.2 | 98% | 0.979 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -18.3 | 176.8 | -108.6 | 74.6 | 0 | 0 | 0 | 112.7 | I64 | I64-L66 PolarHBondContact O-N 3.31Š|
| 67 | T | 67.7 | Low | 68.4 | Low | 125 Ų | 125 | 130.3 Ų | 130.3 | 77% | 0.767 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 14.9 | 179.2 | 55.1 | 0 | 0 | 0 | 0 | 114 | P65 K69 | P65-T67 PolarHBondContact O-N 2.91Å; T67-K69 PolarHBondContact O-N 2.92Å |
| 68 | D | 72.1 | Confident | 69.9 | Low | 45 Ų | 45 | 130.8 Ų | 130.8 | 24% | 0.241 | 66% | 0.655 | C | S | . | * | trans | -59.4 | 112.5 | 177.4 | -171.2 | -5.6 | 0 | 0 | 0 | 110.9 | I64 P65 R70 L71 | I64-D68 HydrophobicContact CG2-CB 4.41Å; P65-D68 HydrophobicContact CG-CB 4.08Å; P65-D68 WeakPolarHBondContact O-CB 3.45Å; P65-D68 PolarHBondContact O-N 3.05Å; D68-R70 PolarHBondContact O-N 2.93Å; D68-R70 VanDerWaalsContact O-N 3.11Å; D68-R70 WeakPolarHBondContact OD1-CB 3.33Å; D68-R70 WeakPolarHBondContact OD1-CG 3.42Å; D68-R70 PolarHBondContact OD1-N 3.05Å; D68-L71 HydrophobicContact CB-CD1 3.98Å; D68-L71 WeakPolarHBondContact O-CB 3.48Å; D68-L71 PolarHBondContact O-N 2.91Å | ||
| 69 | K | 65.8 | Low | 71.5 | Confident | 192 Ų | 192 | 129.7 Ų | 129.7 | 84% | 0.835 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -18.8 | 178.3 | -69.5 | -176.3 | 179.4 | 175.7 | 0 | 112.8 | T67 L71 | T67-K69 PolarHBondContact O-N 2.92Å; K69-L71 VanDerWaalsContact C-N 3.34Å |
| 70 | R | 65 | Low | 73.1 | Confident | 219 Ų | 219 | 126 Ų | 126 | 83% | 0.826 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -34 | 174.4 | -66.6 | -179.6 | 69.8 | -162.9 | 1.8 | 111.8 | D68 K72 | D68-R70 PolarHBondContact O-N 2.93Å; D68-R70 VanDerWaalsContact O-N 3.11Å; D68-R70 WeakPolarHBondContact OD1-CB 3.33Å; D68-R70 WeakPolarHBondContact OD1-CG 3.42Å; D68-R70 PolarHBondContact OD1-N 3.05Å; R70-K72 PolarHBondContact O-N 3.11Å |
| 71 | L | 62.5 | Low | 74.8 | Confident | 106 Ų | 106 | 126.8 Ų | 126.8 | 56% | 0.555 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -72.5 | 86.2 | 164.1 | -81.5 | 83.7 | 0 | 0 | 0 | 106.2 | I64 D68 K69 P73 | I64-L71 HydrophobicContact CG2-CD1 4.06Å; D68-L71 HydrophobicContact CB-CD1 3.98Å; D68-L71 WeakPolarHBondContact O-CB 3.48Å; D68-L71 PolarHBondContact O-N 2.91Å; K69-L71 VanDerWaalsContact C-N 3.34Å; L71-P73 VanDerWaalsContact C-N 3.29Å; L71-P73 WeakPolarHBondContact O-CA 2.79Å; L71-P73 WeakPolarHBondContact O-CD 3.39Å; L71-P73 VanDerWaalsContact O-CG 3.3Å; L71-P73 WeakPolarHBondContact O-CG 3.3Å |
| 72 | K | 68.9 | Low | 76.4 | Confident | 125 Ų | 125 | 124.6 Ų | 124.6 | 54% | 0.543 | 62% | 0.62 | S | S | . | * | trans | -52.8 | 84.2 | 179.2 | -72 | 176.8 | 177.5 | 172.7 | 0 | 110.4 | R70 R74 R75 T76 | R70-K72 PolarHBondContact O-N 3.11Å; K72-R74 PolarHBondContact O-N 3.26Å; K72-R75 HydrophobicContact CB-CB 4.18Å; K72-R75 PolarHBondContact O-N 3.17Å; K72-T76 PolarHBondContact O-N 3.3Å; K72-T76 PolarHBondContact O-OG1 2.86Å | ||
| 73 | P | 71.7 | Confident | 77.6 | Confident | 82 Ų | 82 | 123.2 Ų | 123.2 | 53% | 0.532 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -74.7 | -39.8 | -153.4 | 16.8 | -9.8 | 0 | 0 | 0 | 108.2 | L71 R75 T76 T77 | L71-P73 VanDerWaalsContact C-N 3.29Å; L71-P73 WeakPolarHBondContact O-CA 2.79Å; L71-P73 WeakPolarHBondContact O-CD 3.39Å; L71-P73 VanDerWaalsContact O-CG 3.3Å; L71-P73 WeakPolarHBondContact O-CG 3.3Å; P73-R75 VanDerWaalsContact C-N 3.31Å; P73-R75 PolarHBondContact O-N 3.39Å; P73-T76 PolarHBondContact O-N 2.99Å; P73-T77 WeakPolarHBondContact O-CB 3.3Å; P73-T77 PolarHBondContact O-N 2.77Å; P73-T77 PolarHBondContact O-OG1 2.68Å |
| 74 | R | 77.9 | Confident | 79.1 | Confident | 227 Ų | 227 | 119.2 Ų | 119.2 | 86% | 0.857 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -57.7 | -37.8 | 174.2 | -166.5 | 174.4 | 178.6 | 172.6 | 0.1 | 113.8 | K72 L78 | K72-R74 PolarHBondContact O-N 3.26Å; R74-L78 WeakPolarHBondContact O-CB 3.21Å; R74-L78 PolarHBondContact O-N 3.46Å |
| 75 | R | 81.2 | Confident | 80.5 | Confident | 157 Ų | 157 | 117.7 Ų | 117.7 | 59% | 0.592 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.8 | -48 | 178.8 | -173.7 | -178.8 | -75.6 | -169 | -3.6 | 110 | K72 P73 L78 W79 | K72-R75 HydrophobicContact CB-CB 4.18Å; K72-R75 PolarHBondContact O-N 3.17Å; P73-R75 VanDerWaalsContact C-N 3.31Å; P73-R75 PolarHBondContact O-N 3.39Å; R75-L78 PolarHBondContact O-N 2.87Å; R75-W79 PolarHBondContact O-N 3.31Å |
| 76 | T | 84.2 | Confident | 81.8 | Confident | 80 Ų | 80 | 118 Ų | 118 | 49% | 0.491 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.8 | -44.5 | 179.2 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | K72 P73 L78 W79 V80 | K72-T76 PolarHBondContact O-N 3.3Å; K72-T76 PolarHBondContact O-OG1 2.86Å; P73-T76 PolarHBondContact O-N 2.99Å; T76-L78 VanDerWaalsContact C-N 3.32Å; T76-L78 PolarHBondContact O-N 3.03Å; T76-W79 PolarHBondContact O-N 3.27Å; T76-V80 HydrophobicContact CG2-CG2 4.42Å; T76-V80 VanDerWaalsContact O-CG2 3.3Å; T76-V80 WeakPolarHBondContact O-CG2 3.34Å; T76-V80 PolarHBondContact O-N 3.33Å |
| 77 | T | 84.5 | Confident | 83.3 | Confident | 94 Ų | 94 | 112.2 Ų | 112.2 | 58% | 0.577 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.7 | -40.5 | 175.7 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | P73 V80 F81 | P73-T77 WeakPolarHBondContact O-CB 3.3Å; P73-T77 PolarHBondContact O-N 2.77Å; P73-T77 PolarHBondContact O-OG1 2.68Å; T77-V80 PolarHBondContact O-N 2.93Å; T77-F81 WeakPolarHBondContact O-CB 3.29Å; T77-F81 PolarHBondContact O-N 3.44Å |
| 78 | L | 89.4 | Confident | 84.7 | Confident | 104 Ų | 104 | 110.7 Ų | 110.7 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 174.9 | -177.2 | 144.9 | 0 | 0 | 0 | 111.8 | R74 R75 T76 F81 V82 | R74-L78 WeakPolarHBondContact O-CB 3.21Å; R74-L78 PolarHBondContact O-N 3.46Å; R75-L78 PolarHBondContact O-N 2.87Å; T76-L78 VanDerWaalsContact C-N 3.32Å; T76-L78 PolarHBondContact O-N 3.03Å; L78-F81 PolarHBondContact O-N 3.46Å; L78-V82 HydrophobicContact CD2-CG2 4.18Å; L78-V82 VanDerWaalsContact O-CG2 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.43Å; L78-V82 PolarHBondContact O-N 3.25Å |
| 79 | W | 90.5 | Very high | 85.9 | Confident | 168 Ų | 168 | 111.4 Ų | 111.4 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.6 | -41.9 | 175.4 | -73.8 | 114.5 | 0 | 0 | 0 | 112.6 | R75 T76 V82 A83 | R75-W79 PolarHBondContact O-N 3.31Å; T76-W79 PolarHBondContact O-N 3.27Å; W79-V82 PolarHBondContact O-N 2.87Å; W79-A83 WeakPolarHBondContact O-CB 3.41Å; W79-A83 PolarHBondContact O-N 3.4Å |
| 80 | V | 92.9 | Very high | 87.3 | Confident | 84 Ų | 84 | 107 Ų | 107 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | T76 T77 V82 A83 V84 | T76-V80 HydrophobicContact CG2-CG2 4.42Å; T76-V80 VanDerWaalsContact O-CG2 3.3Å; T76-V80 WeakPolarHBondContact O-CG2 3.34Å; T76-V80 PolarHBondContact O-N 3.33Å; T77-V80 PolarHBondContact O-N 2.93Å; V80-V82 PolarHBondContact O-N 3.48Å; V80-A83 PolarHBondContact O-N 2.9Å; V80-V84 WeakPolarHBondContact O-CG2 3.37Å; V80-V84 PolarHBondContact O-N 3.3Å |
| 81 | F | 93.6 | Very high | 88.8 | Confident | 128 Ų | 128 | 104.3 Ų | 104.3 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | 177.1 | -176.3 | -103.5 | 0 | 0 | 0 | 112.2 | T77 L78 A83 V84 L85 | T77-F81 WeakPolarHBondContact O-CB 3.29Å; T77-F81 PolarHBondContact O-N 3.44Å; L78-F81 PolarHBondContact O-N 3.46Å; F81-A83 PolarHBondContact O-N 3.4Å; F81-V84 PolarHBondContact O-N 2.93Å; F81-L85 HydrophobicContact CD1-CD1 3.84Å; F81-L85 HydrophobicContact CD1-CG 4.32Å; F81-L85 HydrophobicContact CE1-CD1 3.33Å; F81-L85 HydrophobicContact CE1-CG 3.98Å; F81-L85 HydrophobicContact CZ-CD1 3.84Å; F81-L85 HydrophobicContact CZ-CD2 4.28Å; F81-L85 HydrophobicContact CZ-CG 4.12Å; F81-L85 WeakPolarHBondContact O-CG 3.42Å; F81-L85 PolarHBondContact O-N 2.93Å |
| 82 | V | 95.9 | Very high | 90.3 | Very high | 59 Ų | 59 | 101.6 Ų | 101.6 | 36% | 0.358 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L78 W79 V80 V84 L85 V86 | L78-V82 HydrophobicContact CD2-CG2 4.18Å; L78-V82 VanDerWaalsContact O-CG2 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.43Å; L78-V82 PolarHBondContact O-N 3.25Å; W79-V82 PolarHBondContact O-N 2.87Å; V80-V82 PolarHBondContact O-N 3.48Å; V82-V84 VanDerWaalsContact C-N 3.34Å; V82-V84 PolarHBondContact O-N 2.88Å; V82-L85 PolarHBondContact O-N 3.49Å; V82-V86 HydrophobicContact CG1-CG2 4.27Å; V82-V86 WeakPolarHBondContact O-CB 3.28Å; V82-V86 VanDerWaalsContact O-CG2 3.3Å; V82-V86 WeakPolarHBondContact O-CG2 3.28Å; V82-V86 PolarHBondContact O-N 3.28Å |
| 83 | A | 96.3 | Very high | 91.5 | Very high | 60 Ų | 60 | 100.3 Ų | 100.3 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W79 V80 F81 V86 S87 | W79-A83 WeakPolarHBondContact O-CB 3.41Å; W79-A83 PolarHBondContact O-N 3.4Å; V80-A83 PolarHBondContact O-N 2.9Å; F81-A83 PolarHBondContact O-N 3.4Å; A83-V86 PolarHBondContact O-N 3.06Å; A83-S87 WeakPolarHBondContact O-CB 3.3Å; A83-S87 PolarHBondContact O-N 3.33Å; A83-S87 PolarHBondContact O-OG 3.06Å |
| 84 | V | 97.3 | Very high | 92.3 | Very high | 71 Ų | 71 | 99.4 Ų | 99.4 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 174.6 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | V80 F81 V82 V86 S87 L88 | V80-V84 WeakPolarHBondContact O-CG2 3.37Å; V80-V84 PolarHBondContact O-N 3.3Å; F81-V84 PolarHBondContact O-N 2.93Å; V82-V84 VanDerWaalsContact C-N 3.34Å; V82-V84 PolarHBondContact O-N 2.88Å; V84-V86 PolarHBondContact O-N 3.31Å; V84-S87 PolarHBondContact O-N 2.87Å; V84-S87 PolarHBondContact O-OG 3.46Å; V84-L88 HydrophobicContact CG1-CD1 4.07Å; V84-L88 HydrophobicContact CG1-CG 4.42Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.84Å |
| 85 | L | 97.3 | Very high | 92.9 | Very high | 86 Ų | 86 | 92.8 Ų | 92.8 | 45% | 0.45 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 178 | -73.5 | -178 | 0 | 0 | 0 | 112.8 | F81 V82 S87 L88 A89 | F81-L85 HydrophobicContact CD1-CD1 3.84Å; F81-L85 HydrophobicContact CD1-CG 4.32Å; F81-L85 HydrophobicContact CE1-CD1 3.33Å; F81-L85 HydrophobicContact CE1-CG 3.98Å; F81-L85 HydrophobicContact CZ-CD1 3.84Å; F81-L85 HydrophobicContact CZ-CD2 4.28Å; F81-L85 HydrophobicContact CZ-CG 4.12Å; F81-L85 WeakPolarHBondContact O-CG 3.42Å; F81-L85 PolarHBondContact O-N 2.93Å; V82-L85 PolarHBondContact O-N 3.49Å; L85-S87 VanDerWaalsContact C-N 3.33Å; L85-S87 PolarHBondContact O-N 3.45Å; L85-L88 PolarHBondContact O-N 3.29Å; L85-A89 WeakPolarHBondContact O-CB 3.35Å; L85-A89 PolarHBondContact O-N 3.4Å |
| 86 | V | 97.3 | Very high | 93.1 | Very high | 78 Ų | 78 | 89.8 Ų | 89.8 | 47% | 0.473 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 176.7 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | V82 A83 V84 A89 I90 | V82-V86 HydrophobicContact CG1-CG2 4.27Å; V82-V86 WeakPolarHBondContact O-CB 3.28Å; V82-V86 VanDerWaalsContact O-CG2 3.3Å; V82-V86 WeakPolarHBondContact O-CG2 3.28Å; V82-V86 PolarHBondContact O-N 3.28Å; A83-V86 PolarHBondContact O-N 3.06Å; V84-V86 PolarHBondContact O-N 3.31Å; V86-A89 PolarHBondContact O-N 2.92Å; V86-I90 HydrophobicContact CG1-CD1 3.81Å; V86-I90 HydrophobicContact CG1-CG1 4.47Å; V86-I90 VanDerWaalsContact O-CG1 3.28Å; V86-I90 WeakPolarHBondContact O-CG1 3.49Å; V86-I90 PolarHBondContact O-N 3.4Å |
| 87 | S | 97.2 | Very high | 93.2 | Very high | 66 Ų | 66 | 90.2 Ų | 90.2 | 46% | 0.462 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 177.3 | 74.7 | 0 | 0 | 0 | 0 | 112.6 | A83 V84 L85 I90 W91 | A83-S87 WeakPolarHBondContact O-CB 3.3Å; A83-S87 PolarHBondContact O-N 3.33Å; A83-S87 PolarHBondContact O-OG 3.06Å; V84-S87 PolarHBondContact O-N 2.87Å; V84-S87 PolarHBondContact O-OG 3.46Å; L85-S87 VanDerWaalsContact C-N 3.33Å; L85-S87 PolarHBondContact O-N 3.45Å; S87-I90 PolarHBondContact O-N 2.93Å; S87-W91 WeakPolarHBondContact O-CB 3.36Å; S87-W91 PolarHBondContact O-N 3.42Å |
| 88 | L | 97.3 | Very high | 93.1 | Very high | 93 Ų | 93 | 90.2 Ų | 90.2 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 176.3 | -71.9 | 175.3 | 0 | 0 | 0 | 111.5 | V84 L85 W91 A92 | V84-L88 HydrophobicContact CG1-CD1 4.07Å; V84-L88 HydrophobicContact CG1-CG 4.42Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.84Å; L85-L88 PolarHBondContact O-N 3.29Å; L88-W91 PolarHBondContact O-N 2.95Å; L88-A92 VanDerWaalsContact O-CB 3.26Å; L88-A92 WeakPolarHBondContact O-CB 3.21Å; L88-A92 PolarHBondContact O-N 3.35Å |
| 89 | A | 96.7 | Very high | 92.7 | Very high | 61 Ų | 61 | 89 Ų | 89 | 50% | 0.504 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L85 V86 A92 L93 | L85-A89 WeakPolarHBondContact O-CB 3.35Å; L85-A89 PolarHBondContact O-N 3.4Å; V86-A89 PolarHBondContact O-N 2.92Å; A89-A92 PolarHBondContact O-N 3.2Å; A89-L93 VanDerWaalsContact O-CB 3.25Å; A89-L93 WeakPolarHBondContact O-CB 3.36Å; A89-L93 PolarHBondContact O-N 3.49Å |
| 90 | I | 96.2 | Very high | 91.7 | Very high | 98 Ų | 98 | 84.1 Ų | 84.1 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 175.6 | -67.5 | 165.5 | 0 | 0 | 0 | 110.2 | V86 S87 L93 C94 | V86-I90 HydrophobicContact CG1-CD1 3.81Å; V86-I90 HydrophobicContact CG1-CG1 4.47Å; V86-I90 VanDerWaalsContact O-CG1 3.28Å; V86-I90 WeakPolarHBondContact O-CG1 3.49Å; V86-I90 PolarHBondContact O-N 3.4Å; S87-I90 PolarHBondContact O-N 2.93Å; I90-L93 PolarHBondContact O-N 2.87Å; I90-C94 PolarHBondContact O-N 3.26Å; I90-C94 PolarHBondContact O-SG 2.88Å |
| 91 | W | 96.3 | Very high | 90.8 | Very high | 163 Ų | 163 | 85.4 Ų | 85.4 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61 | -47.2 | 178.6 | 179.4 | 80.1 | 0 | 0 | 0 | 112.2 | S87 L88 L93 C94 M95 | S87-W91 WeakPolarHBondContact O-CB 3.36Å; S87-W91 PolarHBondContact O-N 3.42Å; L88-W91 PolarHBondContact O-N 2.95Å; W91-L93 VanDerWaalsContact C-N 3.29Å; W91-L93 PolarHBondContact O-N 3.33Å; W91-C94 PolarHBondContact O-N 2.9Å; W91-M95 HydrophobicContact CD2-CG 4.21Å; W91-M95 HydrophobicContact CH2-CG 4.41Å; W91-M95 HydrophobicContact CZ2-CE 4.17Å; W91-M95 HydrophobicContact CZ2-CG 3.97Å; W91-M95 HydrophobicContact CZ2-SD 4.48Å; W91-M95 WeakPolarHBondContact O-CG 3.38Å; W91-M95 PolarHBondContact O-N 2.93Å |
| 92 | A | 94.4 | Very high | 89.5 | Confident | 50 Ų | 50 | 83.4 Ų | 83.4 | 41% | 0.413 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L88 A89 M95 F96 | L88-A92 VanDerWaalsContact O-CB 3.26Å; L88-A92 WeakPolarHBondContact O-CB 3.21Å; L88-A92 PolarHBondContact O-N 3.35Å; A89-A92 PolarHBondContact O-N 3.2Å; A92-M95 PolarHBondContact O-N 3.43Å; A92-F96 VanDerWaalsContact O-CB 3.31Å; A92-F96 WeakPolarHBondContact O-CB 3.49Å; A92-F96 PolarHBondContact O-N 2.83Å |
| 93 | L | 93 | Very high | 88.2 | Confident | 97 Ų | 97 | 81.1 Ų | 81.1 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 176.7 | -169.4 | 66 | 0 | 0 | 0 | 111.6 | A89 I90 W91 M95 F96 F97 | A89-L93 VanDerWaalsContact O-CB 3.25Å; A89-L93 WeakPolarHBondContact O-CB 3.36Å; A89-L93 PolarHBondContact O-N 3.49Å; I90-L93 PolarHBondContact O-N 2.87Å; W91-L93 VanDerWaalsContact C-N 3.29Å; W91-L93 PolarHBondContact O-N 3.33Å; L93-M95 PolarHBondContact O-N 3.27Å; L93-F96 PolarHBondContact O-N 2.96Å; L93-F97 HydrophobicContact CD1-CD2 3.91Å; L93-F97 HydrophobicContact CD1-CE2 3.33Å; L93-F97 HydrophobicContact CD1-CZ 4.16Å; L93-F97 HydrophobicContact CD2-CE2 4.13Å; L93-F97 HydrophobicContact CG-CD2 3.78Å; L93-F97 HydrophobicContact CG-CE2 3.51Å; L93-F97 WeakPolarHBondContact O-CD2 3.38Å; L93-F97 PolarHBondContact O-N 2.96Å |
| 94 | C | 89.9 | Confident | 87 | Confident | 64 Ų | 64 | 81 Ų | 81 | 43% | 0.432 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 174.3 | -71.8 | 0 | 0 | 0 | 0 | 111.1 | I90 W91 F96 F97 L98 | I90-C94 PolarHBondContact O-N 3.26Å; I90-C94 PolarHBondContact O-SG 2.88Å; W91-C94 PolarHBondContact O-N 2.9Å; C94-F96 PolarHBondContact O-N 3.23Å; C94-F97 PolarHBondContact O-N 2.8Å; C94-L98 HydrophobicContact CB-CD1 4.42Å; C94-L98 WeakPolarHBondContact O-CB 3.16Å; C94-L98 WeakPolarHBondContact O-CD1 3.41Å; C94-L98 WeakPolarHBondContact O-CG 3.34Å; C94-L98 PolarHBondContact O-N 2.88Å |
| 95 | M | 88.7 | Confident | 85.7 | Confident | 87 Ų | 87 | 78.3 Ų | 78.3 | 43% | 0.429 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 176.1 | -68.3 | -65.3 | -87.8 | 0 | 0 | 111.1 | W91 A92 L93 F97 L98 V99 | W91-M95 HydrophobicContact CD2-CG 4.21Å; W91-M95 HydrophobicContact CH2-CG 4.41Å; W91-M95 HydrophobicContact CZ2-CE 4.17Å; W91-M95 HydrophobicContact CZ2-CG 3.97Å; W91-M95 HydrophobicContact CZ2-SD 4.48Å; W91-M95 WeakPolarHBondContact O-CG 3.38Å; W91-M95 PolarHBondContact O-N 2.93Å; A92-M95 PolarHBondContact O-N 3.43Å; L93-M95 PolarHBondContact O-N 3.27Å; M95-F97 VanDerWaalsContact C-N 3.31Å; M95-F97 PolarHBondContact O-N 3.32Å; M95-L98 PolarHBondContact O-N 3.32Å; M95-V99 WeakPolarHBondContact O-CB 3.26Å; M95-V99 WeakPolarHBondContact O-CG2 3.46Å; M95-V99 PolarHBondContact O-N 3.35Å |
| 96 | F | 87.4 | Confident | 84.4 | Confident | 94 Ų | 94 | 77.5 Ų | 77.5 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.2 | -39 | 178.6 | 177.5 | -94.9 | 0 | 0 | 0 | 113.4 | A92 L93 C94 Y135 | A92-F96 VanDerWaalsContact O-CB 3.31Å; A92-F96 WeakPolarHBondContact O-CB 3.49Å; A92-F96 PolarHBondContact O-N 2.83Å; L93-F96 PolarHBondContact O-N 2.96Å; C94-F96 PolarHBondContact O-N 3.23Å; F96-Y135 AromaticContact CE1-CE2 3.84Å; F96-Y135 HydrophobicContact CE1-CE2 3.84Å; F96-Y135 HydrophobicContact CZ-CE2 4.25Å |
| 97 | F | 85.3 | Confident | 82.7 | Confident | 90 Ų | 90 | 75.1 Ų | 75.1 | 40% | 0.395 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -80.5 | -32.5 | 178.1 | -75 | -63.4 | 0 | 0 | 0 | 113.8 | L93 C94 M95 Y135 L136 | L93-F97 HydrophobicContact CD1-CD2 3.91Å; L93-F97 HydrophobicContact CD1-CE2 3.33Å; L93-F97 HydrophobicContact CD1-CZ 4.16Å; L93-F97 HydrophobicContact CD2-CE2 4.13Å; L93-F97 HydrophobicContact CG-CD2 3.78Å; L93-F97 HydrophobicContact CG-CE2 3.51Å; L93-F97 WeakPolarHBondContact O-CD2 3.38Å; L93-F97 PolarHBondContact O-N 2.96Å; C94-F97 PolarHBondContact O-N 2.8Å; M95-F97 VanDerWaalsContact C-N 3.31Å; M95-F97 PolarHBondContact O-N 3.32Å; F97-Y135 HydrophobicContact CD1-CD1 4.29Å; F97-Y135 AromaticContact CD1-CD2 3.92Å; F97-Y135 HydrophobicContact CD1-CD2 3.92Å; F97-Y135 HydrophobicContact CD1-CE2 4.46Å; F97-Y135 AromaticContact CD1-CG 3.82Å; F97-Y135 HydrophobicContact CD1-CG 3.82Å; F97-Y135 HydrophobicContact CE1-CD1 4.21Å; F97-Y135 HydrophobicContact CE1-CD2 4.41Å; F97-Y135 HydrophobicContact CE1-CE1 4.43Å; F97-Y135 HydrophobicContact CE1-CG 4.2Å; F97-L136 WeakPolarHBondContact O-CD1 3.43Å |
| 98 | L | 82.9 | Confident | 81 | Confident | 93 Ų | 93 | 76.8 Ų | 76.8 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -86 | -26.2 | -178.1 | -69.5 | 169.4 | 0 | 0 | 0 | 113.1 | C94 M95 P100 L198 | C94-L98 HydrophobicContact CB-CD1 4.42Å; C94-L98 WeakPolarHBondContact O-CB 3.16Å; C94-L98 WeakPolarHBondContact O-CD1 3.41Å; C94-L98 WeakPolarHBondContact O-CG 3.34Å; C94-L98 PolarHBondContact O-N 2.88Å; M95-L98 PolarHBondContact O-N 3.32Å; L98-P100 WeakPolarHBondContact O-CD 3.32Å; L98-L198 HydrophobicContact CD2-CD1 4.38Å |
| 99 | V | 81.1 | Confident | 79 | Confident | 80 Ų | 80 | 74.8 Ų | 74.8 | 49% | 0.485 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -64.1 | 119.8 | 176.6 | 166.2 | 0 | 0 | 0 | 0 | 108.1 | M95 R101 | M95-V99 WeakPolarHBondContact O-CB 3.26Å; M95-V99 WeakPolarHBondContact O-CG2 3.46Å; M95-V99 PolarHBondContact O-N 3.35Å; V99-R101 PolarHBondContact O-N 3.02Å; V99-R101 VanDerWaalsContact O-N 3.11Å |
| 100 | P | 68.6 | Low | 76.8 | Confident | 65 Ų | 65 | 79.4 Ų | 79.4 | 42% | 0.422 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 119.1 | -178 | 25.4 | -32.4 | 0 | 0 | 0 | 109.4 | L98 Y197 | L98-P100 WeakPolarHBondContact O-CD 3.32Å; P100-Y197 HydrophobicContact CB-CD2 4.45Å; P100-Y197 HydrophobicContact CB-CE2 3.53Å; P100-Y197 WeakPolarHBondContact CB-OH 3.48Å; P100-Y197 HydrophobicContact CG-CE2 4.06Å |
| 101 | R | 73.3 | Confident | 74.2 | Confident | 111 Ų | 111 | 79.4 Ų | 79.4 | 42% | 0.419 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 150.5 | 164.9 | -76 | -168.3 | 169.2 | -164.3 | -4.1 | 109.5 | V99 I103 | V99-R101 PolarHBondContact O-N 3.02Å; V99-R101 VanDerWaalsContact O-N 3.11Å; R101-I103 PolarHBondContact O-N 3.49Å |
| 102 | S | 68 | Low | 71.6 | Confident | 85 Ų | 85 | 75.7 Ų | 75.7 | 59% | 0.594 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 136.2 | 179.9 | 51 | 0 | 0 | 0 | 0 | 111.7 | ||
| 103 | I | 67 | Low | 69.1 | Low | 12 Ų | 12 | 77.2 Ų | 77.2 | 6% | 0.062 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 123.7 | 169.6 | -59.3 | 164.8 | 0 | 0 | 0 | 106.4 | R101 I130 I138 S195 Y197 | R101-I103 PolarHBondContact O-N 3.49Å; I103-I130 HydrophobicContact CG2-CG2 4.41Å; I103-I138 HydrophobicContact CD1-CD1 3.89Å; I103-I138 HydrophobicContact CD1-CG2 4.36Å; I103-I138 HydrophobicContact CG1-CD1 4.15Å; I103-I138 HydrophobicContact CG2-CD1 4.12Å; I103-S195 WeakPolarHBondContact CD1-OG 3.43Å; I103-Y197 HydrophobicContact CD1-CD1 4.34Å; I103-Y197 HydrophobicContact CD1-CE1 4.06Å |
| 104 | V | 72.4 | Confident | 66.6 | Low | 57 Ų | 57 | 75.9 Ų | 75.9 | 35% | 0.345 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.4 | 179.6 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | V106 T131 Y133 | V104-V106 HydrophobicContact CG1-CG2 4.01Å; V104-T131 PolarHBondContact N-O 2.84Å; V104-T131 PolarHBondContact O-N 2.85Å; V104-T131 VanDerWaalsContact O-N 3.14Å; V104-Y133 HydrophobicContact CB-CD2 4.02Å; V104-Y133 HydrophobicContact CB-CE2 3.72Å; V104-Y133 HydrophobicContact CG2-CD2 3.71Å; V104-Y133 HydrophobicContact CG2-CE2 3.67Å |
| 105 | L | 69.8 | Low | 64.2 | Low | 15 Ų | 15 | 82.4 Ų | 82.4 | 8% | 0.079 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 122.5 | 169.4 | -57.5 | 178.8 | 0 | 0 | 0 | 107.5 | I130 V193 T204 I206 | L105-I130 HydrophobicContact CD2-CB 4.38Å; L105-I130 HydrophobicContact CD2-CG1 3.91Å; L105-I130 HydrophobicContact CD2-CG2 4.08Å; L105-V193 HydrophobicContact CD1-CB 4.1Å; L105-V193 HydrophobicContact CD1-CG2 3.9Å; L105-V193 HydrophobicContact CD2-CB 4.13Å; L105-V193 HydrophobicContact CD2-CG2 3.92Å; L105-T204 HydrophobicContact CD1-CG2 3.7Å; L105-T204 WeakPolarHBondContact CD1-O 3.42Å; L105-T204 HydrophobicContact CG-CG2 3.88Å; L105-I206 HydrophobicContact CB-CB 4.22Å; L105-I206 HydrophobicContact CB-CG2 4.03Å; L105-I206 HydrophobicContact CD1-CG2 4.15Å; L105-I206 WeakPolarHBondContact O-CD1 3.21Å |
| 106 | V | 69.3 | Low | 61.7 | Low | 68 Ų | 68 | 87.3 Ų | 87.3 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 115.1 | 171.7 | -177 | 0 | 0 | 0 | 0 | 106.7 | V104 N129 | V104-V106 HydrophobicContact CG1-CG2 4.01Å; V106-N129 PolarHBondContact N-O 2.75Å; V106-N129 CarbonylContact O-C 3.58Å; V106-N129 WeakPolarHBondContact O-CA 3.3Å; V106-N129 WeakPolarHBondContact O-CB 3.49Å; V106-N129 PolarHBondContact O-N 2.94Å |
| 107 | S | 63 | Low | 59.3 | Low | 28 Ų | 28 | 87 Ų | 87 | 20% | 0.196 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 126.6 | 169.3 | -167 | 0 | 0 | 0 | 0 | 107.7 | E109 | S107-E109 VanDerWaalsContact C-N 3.26Å; S107-E109 PolarHBondContact O-N 3.26Å |
| 108 | D | 59.9 | Low | 57 | Low | 101 Ų | 101 | 92.9 Ų | 92.9 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | trans | -80.9 | 83.2 | 169 | -164.9 | 24.9 | 0 | 0 | 0 | 107.1 | ||||
| 109 | E | 56.6 | Low | 55.1 | Low | 51 Ų | 51 | 95.4 Ų | 95.4 | 24% | 0.238 | 49% | 0.486 | C | S | . | . | trans | -134 | 88 | 170.5 | -74.1 | -169.1 | 167.2 | 0 | 0 | 109.2 | S107 K126 T208 Q210 | S107-E109 VanDerWaalsContact C-N 3.26Å; S107-E109 PolarHBondContact O-N 3.26Å; E109-K126 WeakPolarHBondContact OE1-CD 3.2Å; E109-K126 WeakPolarHBondContact OE1-CE 3.32Å; E109-K126 IonicContact OE1-NZ 2.95Å; E109-K126 PolarHBondContact OE1-NZ 3.41Å; E109-T208 WeakPolarHBondContact OE2-CB 3.09Å; E109-T208 WeakPolarHBondContact OE2-CG2 3.37Å; E109-T208 PolarHBondContact OE2-OG1 2.81Å; E109-Q210 PolarHBondContact OE1-NE2 2.77Å | ||
| 110 | Q | 50 | Low | 53.6 | Low | 158 Ų | 158 | 98.7 Ų | 98.7 | 74% | 0.738 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -59.7 | 146.2 | 136.8 | -83.6 | 138.9 | 6.5 | 0 | 0 | 108.2 | I112 | Q110-I112 PolarHBondContact O-N 2.85Å; Q110-I112 VanDerWaalsContact O-N 3.13Å |
| 111 | P | 42.5 | Very low | 52.5 | Low | 98 Ų | 98 | 104 Ų | 104 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | trans | -50.9 | 126.5 | 177.8 | 20.4 | -30.6 | 0 | 0 | 0 | 108.6 | V113 | P111-V113 VanDerWaalsContact C-N 3.29Å; P111-V113 PolarHBondContact O-N 3.49Å | ||
| 112 | I | 41.4 | Very low | 51.6 | Low | 85 Ų | 85 | 102.8 Ų | 102.8 | 44% | 0.436 | 53% | 0.528 | S | S | . | . | trans | -58.3 | 98.2 | 177 | -62.5 | 172.5 | 0 | 0 | 0 | 106.7 | Q110 | Q110-I112 PolarHBondContact O-N 2.85Å; Q110-I112 VanDerWaalsContact O-N 3.13Å | ||
| 113 | V | 40.4 | Very low | 51.1 | Low | 82 Ų | 82 | 102.1 Ų | 102.1 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | trans | -71 | 125.4 | 159.6 | -166.7 | 0 | 0 | 0 | 0 | 104.1 | P111 Y115 I223 | P111-V113 VanDerWaalsContact C-N 3.29Å; P111-V113 PolarHBondContact O-N 3.49Å; V113-Y115 PolarHBondContact O-N 3.47Å; V113-I223 HydrophobicContact CB-CD1 4.41Å; V113-I223 HydrophobicContact CG1-CD1 3.98Å; V113-I223 HydrophobicContact CG2-CD1 3.63Å; V113-I223 HydrophobicContact CG2-CG1 4.05Å | ||
| 114 | P | 40.6 | Very low | 50.9 | Low | 70 Ų | 70 | 104 Ų | 104 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | trans | -59.6 | 103.1 | 176.8 | 24 | -32.2 | 0 | 0 | 0 | 108.5 | Y116 | P114-Y116 PolarHBondContact O-N 2.91Š| ||
| 115 | Y | 39.3 | Very low | 50.6 | Low | 201 Ų | 201 | 104.4 Ų | 104.4 | 79% | 0.788 | 54% | 0.536 | S | S | * | . | trans | -73.6 | 120.7 | 163 | -165.7 | -109.6 | 0 | 0 | 0 | 105.8 | V113 T117 | V113-Y115 PolarHBondContact O-N 3.47Å; Y115-T117 HydrophobicContact CD1-CG2 4.02Å; Y115-T117 WeakPolarHBondContact O-CG2 3.04Å; Y115-T117 PolarHBondContact O-N 2.87Å | ||
| 116 | Y | 37.7 | Very low | 50.8 | Low | 189 Ų | 189 | 104.5 Ų | 104.5 | 74% | 0.741 | 54% | 0.536 | S | S | * | . | trans | -61.7 | 89.3 | 173.4 | -54.4 | -87 | 0 | 0 | 0 | 108.6 | P114 | P114-Y116 PolarHBondContact O-N 2.91Š| ||
| 117 | T | 36.8 | Very low | 51 | Low | 87 Ų | 87 | 106.4 Ų | 106.4 | 53% | 0.534 | 54% | 0.539 | S | S | . | . | trans | -90.7 | 129.7 | 170.4 | 89 | 0 | 0 | 0 | 0 | 107.7 | Y115 I119 | Y115-T117 HydrophobicContact CD1-CG2 4.02Å; Y115-T117 WeakPolarHBondContact O-CG2 3.04Å; Y115-T117 PolarHBondContact O-N 2.87Å; T117-I119 PolarHBondContact O-N 3.38Å | ||
| 118 | Y | 35.7 | Very low | 51.8 | Low | 214 Ų | 214 | 105.2 Ų | 105.2 | 84% | 0.839 | 53% | 0.53 | S | S | * | . | trans | -55.1 | 138.5 | 175.6 | -71.2 | -93.1 | 0 | 0 | 0 | 110.7 | N120 | Y118-N120 PolarHBondContact O-N 2.9Š| ||
| 119 | I | 44.8 | Very low | 52.8 | Low | 147 Ų | 147 | 102.5 Ų | 102.5 | 75% | 0.754 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 7.5 | -169.6 | -69.8 | 160.2 | 0 | 0 | 0 | 115 | T117 | T117-I119 PolarHBondContact O-N 3.38Š|
| 120 | N | 47.7 | Very low | 54 | Low | 149 Ų | 149 | 100.1 Ų | 100.1 | 80% | 0.797 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -9.4 | -171 | -63.5 | -8.5 | 0 | 0 | 0 | 114.1 | Y118 | Y118-N120 PolarHBondContact O-N 2.9Š|
| 121 | E | 46.9 | Very low | 55.6 | Low | 176 Ų | 176 | 93.8 Ų | 93.8 | 82% | 0.822 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -146.5 | 38.8 | 177.6 | -65.1 | -172.5 | 167.1 | 0 | 0 | 113.8 | V123 | E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 PolarHBondContact O-N 3.28Å |
| 122 | S | 53.5 | Low | 57.6 | Low | 85 Ų | 85 | 89.1 Ų | 89.1 | 59% | 0.594 | 45% | 0.447 | S | S | * | . | trans | -75.8 | 57 | -164.8 | 55.1 | 0 | 0 | 0 | 0 | 116.7 | P124 | S122-P124 WeakPolarHBondContact O-CD 3.25Š| ||
| 123 | V | 58.2 | Low | 59.7 | Low | 72 Ų | 72 | 90.8 Ų | 90.8 | 44% | 0.436 | 45% | 0.448 | S | S | . | . | trans | -98.3 | 112.7 | 165.3 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | E121 V125 N179 T180 | E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 PolarHBondContact O-N 3.28Å; V123-V125 WeakPolarHBondContact O-CG2 3.31Å; V123-V125 PolarHBondContact O-N 3.39Å; V123-N179 HydrophobicContact CG1-CB 3.88Å; V123-T180 WeakPolarHBondContact CG1-O 3.14Å | ||
| 124 | P | 62.4 | Low | 61.7 | Low | 51 Ų | 51 | 87 Ų | 87 | 33% | 0.331 | 43% | 0.425 | S | S | . | . | trans | -58.7 | 117.5 | 175.5 | 10.5 | -17 | 0 | 0 | 0 | 110.3 | S122 T180 T183 | S122-P124 WeakPolarHBondContact O-CD 3.25Å; P124-T180 HydrophobicContact CB-CG2 4.01Å; P124-T180 WeakPolarHBondContact CD-O 3.38Å; P124-T180 HydrophobicContact CG-CG2 4.16Å; P124-T180 WeakPolarHBondContact CG-O 3.48Å; P124-T180 WeakPolarHBondContact O-CG2 3.19Å; P124-T180 PolarHBondContact O-N 3.45Å; P124-T180 VanDerWaalsContact O-O 3.09Å; P124-T183 HydrophobicContact CG-CG2 4.27Å | ||
| 125 | V | 66.2 | Low | 63.8 | Low | 65 Ų | 65 | 86.9 Ų | 86.9 | 39% | 0.394 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.5 | 177 | -175 | 0 | 0 | 0 | 0 | 109.1 | V123 F127 A177 F178 N179 | V123-V125 WeakPolarHBondContact O-CG2 3.31Å; V123-V125 PolarHBondContact O-N 3.39Å; V125-F127 HydrophobicContact CB-CZ 4.48Å; V125-F127 HydrophobicContact CG1-CE1 4.06Å; V125-F127 HydrophobicContact CG1-CE2 4.25Å; V125-F127 HydrophobicContact CG1-CZ 3.83Å; V125-A177 HydrophobicContact CG1-CB 3.84Å; V125-F178 CarbonylContact C-O 3.52Å; V125-F178 WeakPolarHBondContact CA-O 3.48Å; V125-N179 WeakPolarHBondContact CG2-OD1 3.06Å |
| 126 | K | 72.9 | Confident | 65.9 | Low | 17 Ų | 17 | 79.4 Ų | 79.4 | 7% | 0.074 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 140.9 | 173.1 | -64.6 | -161.1 | -175.9 | -162.3 | 0 | 111.8 | E109 M145 A177 F178 T180 L189 | E109-K126 WeakPolarHBondContact OE1-CD 3.2Å; E109-K126 WeakPolarHBondContact OE1-CE 3.32Å; E109-K126 IonicContact OE1-NZ 2.95Å; E109-K126 PolarHBondContact OE1-NZ 3.41Å; K126-M145 HydrophobicContact CD-CE 3.52Å; K126-M145 HydrophobicContact CD-SD 4.44Å; K126-M145 HydrophobicContact CG-CE 4.22Å; K126-A177 CarbonylContact O-C 3.59Å; K126-A177 WeakPolarHBondContact O-CA 3.33Å; K126-F178 HydrophobicContact CB-CB 4.47Å; K126-F178 PolarHBondContact N-O 3.08Å; K126-F178 PolarHBondContact O-N 3.43Å; K126-T180 HydrophobicContact CG-CG2 4.13Å; K126-L189 HydrophobicContact CD-CD2 3.74Å |
| 127 | F | 75.1 | Confident | 68.1 | Low | 108 Ų | 108 | 74.3 Ų | 74.3 | 47% | 0.474 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.9 | 178.2 | -58.8 | -79.8 | 0 | 0 | 0 | 110.6 | V125 I176 A177 | V125-F127 HydrophobicContact CB-CZ 4.48Å; V125-F127 HydrophobicContact CG1-CE1 4.06Å; V125-F127 HydrophobicContact CG1-CE2 4.25Å; V125-F127 HydrophobicContact CG1-CZ 3.83Å; F127-I176 WeakPolarHBondContact CA-O 3.48Å; F127-A177 HydrophobicContact CD1-CB 4.02Å; F127-A177 HydrophobicContact CE1-CB 3.89Å |
| 128 | L | 78.2 | Confident | 70.5 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124.7 | 170.7 | -177.9 | 77.7 | 0 | 0 | 0 | 108.8 | I130 T175 I176 F178 V191 V193 I206 | L128-I130 HydrophobicContact CD2-CD1 4.18Å; L128-I130 HydrophobicContact CD2-CG1 3.91Å; L128-I130 HydrophobicContact CG-CG1 4.28Å; L128-T175 CarbonylContact O-C 3.59Å; L128-T175 VanDerWaalsContact O-CA 3.32Å; L128-T175 WeakPolarHBondContact O-CA 3.35Å; L128-I176 PolarHBondContact N-O 2.89Å; L128-I176 PolarHBondContact O-N 2.86Å; L128-F178 HydrophobicContact CB-CD2 4.43Å; L128-F178 HydrophobicContact CB-CE2 3.94Å; L128-F178 HydrophobicContact CD2-CE2 4.26Å; L128-V191 HydrophobicContact CD1-CB 4.47Å; L128-V191 HydrophobicContact CD1-CG1 4.33Å; L128-V191 HydrophobicContact CD2-CG1 3.71Å; L128-V193 HydrophobicContact CD2-CG2 3.57Å; L128-I206 HydrophobicContact CD1-CG2 3.93Å |
| 129 | N | 82.5 | Confident | 73 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111 | 176.7 | -156.5 | -1.3 | 0 | 0 | 0 | 110.4 | V106 T175 | V106-N129 PolarHBondContact N-O 2.75Å; V106-N129 CarbonylContact O-C 3.58Å; V106-N129 WeakPolarHBondContact O-CA 3.3Å; V106-N129 WeakPolarHBondContact O-CB 3.49Å; V106-N129 PolarHBondContact O-N 2.94Å; N129-T175 HydrophobicContact CB-CG2 4.26Å |
| 130 | I | 80.7 | Confident | 74.9 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 116.8 | 179.7 | -57.7 | 178.7 | 0 | 0 | 0 | 107.7 | I103 L105 L128 V140 V168 S173 R174 I176 V193 | I103-I130 HydrophobicContact CG2-CG2 4.41Å; L105-I130 HydrophobicContact CD2-CB 4.38Å; L105-I130 HydrophobicContact CD2-CG1 3.91Å; L105-I130 HydrophobicContact CD2-CG2 4.08Å; L128-I130 HydrophobicContact CD2-CD1 4.18Å; L128-I130 HydrophobicContact CD2-CG1 3.91Å; L128-I130 HydrophobicContact CG-CG1 4.28Å; I130-V140 HydrophobicContact CD1-CG1 4.29Å; I130-V140 HydrophobicContact CD1-CG2 4.02Å; I130-V140 HydrophobicContact CG2-CG2 4.42Å; I130-V168 HydrophobicContact CG2-CG2 4.43Å; I130-S173 CarbonylContact O-C 3.54Å; I130-S173 WeakPolarHBondContact O-CA 3.25Å; I130-R174 PolarHBondContact N-O 2.78Å; I130-R174 PolarHBondContact O-N 2.84Å; I130-I176 HydrophobicContact CD1-CD1 3.4Å; I130-I176 HydrophobicContact CD1-CG1 3.96Å; I130-V193 HydrophobicContact CD1-CG1 4Å; I130-V193 HydrophobicContact CD1-CG2 4.25Å |
| 131 | T | 83.9 | Confident | 76.8 | Confident | 25 Ų | 25 | 49.6 Ų | 49.6 | 15% | 0.153 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 118.2 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | V104 Y133 | V104-T131 PolarHBondContact N-O 2.84Å; V104-T131 PolarHBondContact O-N 2.85Å; V104-T131 VanDerWaalsContact O-N 3.14Å; T131-Y133 HydrophobicContact CG2-CD2 3.99Å; T131-Y133 HydrophobicContact CG2-CE1 4.28Å; T131-Y133 HydrophobicContact CG2-CE2 3.48Å; T131-Y133 VanDerWaalsContact CG2-CE2 3.48Å |
| 132 | N | 85.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -89.3 | 104.9 | 176.3 | -178.9 | 14.6 | 0 | 0 | 0 | 110.2 | N134 L136 I138 V168 P169 R171 S172 | N132-N134 VanDerWaalsContact C-N 3.29Å; N132-N134 WeakPolarHBondContact OD1-CA 3.48Å; N132-N134 WeakPolarHBondContact OD1-CB 3.12Å; N132-N134 PolarHBondContact OD1-N 3.42Å; N132-L136 PolarHBondContact ND2-O 3.47Å; N132-I138 HydrophobicContact CB-CD1 3.88Å; N132-I138 HydrophobicContact CB-CG1 4.16Å; N132-V168 HydrophobicContact CB-CB 4.3Å; N132-V168 HydrophobicContact CB-CG1 3.6Å; N132-V168 PolarHBondContact ND2-O 3.11Å; N132-P169 PolarHBondContact ND2-O 2.79Å; N132-P169 VanDerWaalsContact ND2-O 3.09Å; N132-R171 WeakPolarHBondContact O-CA 3.16Å; N132-R171 PolarHBondContact O-N 2.78Å; N132-S172 PolarHBondContact N-O 2.86Å; N132-S172 PolarHBondContact O-N 2.89Å | ||
| 133 | Y | 84.3 | Confident | 80.1 | Confident | 120 Ų | 120 | 40.4 Ų | 40.4 | 47% | 0.471 | 21% | 0.212 | S | C | . | . | trans | -86 | -1.5 | 173.8 | -72.8 | -79.5 | 0 | 0 | 0 | 113.8 | V104 T131 | V104-Y133 HydrophobicContact CB-CD2 4.02Å; V104-Y133 HydrophobicContact CB-CE2 3.72Å; V104-Y133 HydrophobicContact CG2-CD2 3.71Å; V104-Y133 HydrophobicContact CG2-CE2 3.67Å; T131-Y133 HydrophobicContact CG2-CD2 3.99Å; T131-Y133 HydrophobicContact CG2-CE1 4.28Å; T131-Y133 HydrophobicContact CG2-CE2 3.48Å; T131-Y133 VanDerWaalsContact CG2-CE2 3.48Å | ||
| 134 | N | 83.4 | Confident | 81.3 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -77.3 | 157.5 | -178.9 | -147.7 | -23.5 | 0 | 0 | 0 | 111.1 | N132 R171 | N132-N134 VanDerWaalsContact C-N 3.29Å; N132-N134 WeakPolarHBondContact OD1-CA 3.48Å; N132-N134 WeakPolarHBondContact OD1-CB 3.12Å; N132-N134 PolarHBondContact OD1-N 3.42Å; N134-R171 PolarHBondContact O-N 3.4Å |
| 135 | Y | 83.2 | Confident | 82.2 | Confident | 69 Ų | 69 | 35.9 Ų | 35.9 | 27% | 0.271 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -86 | 3.5 | 174.9 | -65.7 | -75.4 | 0 | 0 | 0 | 112.6 | F96 F97 | F96-Y135 AromaticContact CE1-CE2 3.84Å; F96-Y135 HydrophobicContact CE1-CE2 3.84Å; F96-Y135 HydrophobicContact CZ-CE2 4.25Å; F97-Y135 HydrophobicContact CD1-CD1 4.29Å; F97-Y135 AromaticContact CD1-CD2 3.92Å; F97-Y135 HydrophobicContact CD1-CD2 3.92Å; F97-Y135 HydrophobicContact CD1-CE2 4.46Å; F97-Y135 AromaticContact CD1-CG 3.82Å; F97-Y135 HydrophobicContact CD1-CG 3.82Å; F97-Y135 HydrophobicContact CE1-CD1 4.21Å; F97-Y135 HydrophobicContact CE1-CD2 4.41Å; F97-Y135 HydrophobicContact CE1-CE1 4.43Å; F97-Y135 HydrophobicContact CE1-CG 4.2Å |
| 136 | L | 83.8 | Confident | 83 | Confident | 44 Ų | 44 | 34 Ų | 34 | 23% | 0.23 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -117.3 | 154 | 174.7 | -60.8 | 103.6 | 0 | 0 | 0 | 110.3 | F97 N132 L198 | F97-L136 WeakPolarHBondContact O-CD1 3.43Å; N132-L136 PolarHBondContact ND2-O 3.47Å; L136-L198 HydrophobicContact CD1-CD1 4.45Å; L136-L198 HydrophobicContact CD2-CD1 4.02Å; L136-L198 HydrophobicContact CD2-CD2 3.75Å; L136-L198 HydrophobicContact CD2-CG 3.97Å |
| 137 | T | 85.2 | Confident | 83.2 | Confident | 81 Ų | 81 | 33.4 Ų | 33.4 | 50% | 0.497 | 17% | 0.172 | S | C | . | . | trans | -71.6 | 130.9 | 171.2 | -59.6 | 0 | 0 | 0 | 0 | 108.8 | A167 | T137-A167 HydrophobicContact CG2-CB 4.23Š| ||
| 138 | I | 87.5 | Confident | 83.3 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 144.1 | 174.8 | 65.7 | 174.7 | 0 | 0 | 0 | 109.1 | I103 N132 V168 Y197 | I103-I138 HydrophobicContact CD1-CD1 3.89Å; I103-I138 HydrophobicContact CD1-CG2 4.36Å; I103-I138 HydrophobicContact CG1-CD1 4.15Å; I103-I138 HydrophobicContact CG2-CD1 4.12Å; N132-I138 HydrophobicContact CB-CD1 3.88Å; N132-I138 HydrophobicContact CB-CG1 4.16Å; I138-V168 HydrophobicContact CD1-CB 4.22Å; I138-V168 HydrophobicContact CG1-CB 3.73Å; I138-V168 HydrophobicContact CG1-CG2 4.27Å; I138-V168 PolarHBondContact N-O 2.84Å; I138-V168 VanDerWaalsContact N-O 3.13Å; I138-V168 PolarHBondContact O-N 3.4Å; I138-Y197 HydrophobicContact CG2-CD1 4.21Å; I138-Y197 HydrophobicContact CG2-CG 4.45Å |
| 139 | S | 87.6 | Confident | 83.1 | Confident | 24 Ų | 24 | 31.3 Ų | 31.3 | 17% | 0.168 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 113.2 | 171 | 49.7 | 0 | 0 | 0 | 0 | 108.5 | V141 S195 H196 | S139-V141 PolarHBondContact O-N 2.56Å; S139-S195 CarbonylContact O-C 3.52Å; S139-S195 VanDerWaalsContact O-CA 3.3Å; S139-S195 WeakPolarHBondContact O-CA 3.39Å; S139-H196 PolarHBondContact N-O 3.07Å; S139-H196 PolarHBondContact O-N 3.11Å; S139-H196 WeakPolarHBondContact OG-CB 3.09Å; S139-H196 PolarHBondContact OG-O 2.69Å |
| 140 | V | 85.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 113.9 | 170.4 | 175.2 | 0 | 0 | 0 | 0 | 106.2 | I130 E165 V166 V168 I176 V193 | I130-V140 HydrophobicContact CD1-CG1 4.29Å; I130-V140 HydrophobicContact CD1-CG2 4.02Å; I130-V140 HydrophobicContact CG2-CG2 4.42Å; V140-E165 CarbonylContact O-C 3.54Å; V140-E165 WeakPolarHBondContact O-CA 3.32Å; V140-V166 PolarHBondContact N-O 2.75Å; V140-V166 PolarHBondContact O-N 2.78Å; V140-V168 HydrophobicContact CG2-CG2 3.87Å; V140-I176 HydrophobicContact CG1-CD1 4.11Å; V140-V193 HydrophobicContact CG1-CG1 3.58Å; V140-V193 HydrophobicContact CG2-CG1 4.25Å |
| 141 | V | 86.5 | Confident | 82.2 | Confident | 54 Ų | 54 | 38.4 Ų | 38.4 | 33% | 0.327 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -41.7 | -174.4 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | S139 T194 H196 | S139-V141 PolarHBondContact O-N 2.56Å; V141-T194 PolarHBondContact N-O 2.86Å; V141-H196 HydrophobicContact CG2-CB 3.91Å |
| 142 | N | 86 | Confident | 81.5 | Confident | 66 Ų | 66 | 45 Ų | 45 | 35% | 0.353 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 133 | -176.9 | -72.5 | -37.3 | 0 | 0 | 0 | 110.4 | L163 T194 | N142-L163 WeakPolarHBondContact OD1-CD2 3.27Å; N142-T194 PolarHBondContact N-O 3.34Å; N142-T194 PolarHBondContact O-N 2.83Å |
| 143 | A | 83.2 | Confident | 80.8 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | N162 I176 F178 T192 V193 | A143-N162 PolarHBondContact N-O 2.84Å; A143-N162 VanDerWaalsContact N-O 3.14Å; A143-N162 PolarHBondContact O-N 2.86Å; A143-I176 HydrophobicContact CB-CD1 4.27Å; A143-F178 HydrophobicContact CB-CE1 4.17Å; A143-F178 HydrophobicContact CB-CZ 3.64Å; A143-T192 CarbonylContact C-O 3.53Å; A143-T192 WeakPolarHBondContact CA-O 3.15Å; A143-V193 HydrophobicContact CB-CG2 4.34Å |
| 144 | S | 85 | Confident | 80.5 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 133.6 | 179.6 | 83.2 | 0 | 0 | 0 | 0 | 111.9 | V160 V191 T192 | S144-V160 CarbonylContact C-O 3.58Å; S144-V160 WeakPolarHBondContact CA-O 3.06Å; S144-V191 CarbonylContact O-C 3.56Å; S144-V191 WeakPolarHBondContact O-CA 3.46Å; S144-T192 PolarHBondContact N-O 3.06Å; S144-T192 PolarHBondContact O-N 3.09Å; S144-T192 PolarHBondContact O-OG1 3.45Å; S144-T192 PolarHBondContact OG-OG1 3.2Å |
| 145 | M | 80.8 | Confident | 80.3 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.8 | 179.7 | 169.5 | -163.7 | 174.3 | 0 | 0 | 107.7 | K126 Q159 V160 F178 T180 L189 V190 V191 | K126-M145 HydrophobicContact CD-CE 3.52Å; K126-M145 HydrophobicContact CD-SD 4.44Å; K126-M145 HydrophobicContact CG-CE 4.22Å; M145-Q159 CarbonylContact O-C 3.44Å; M145-Q159 WeakPolarHBondContact O-CA 3.49Å; M145-V160 HydrophobicContact CB-CB 4.4Å; M145-V160 PolarHBondContact N-O 3.05Å; M145-V160 PolarHBondContact O-N 3.49Å; M145-V160 HydrophobicContact SD-CB 4.46Å; M145-F178 HydrophobicContact CB-CD1 3.78Å; M145-F178 HydrophobicContact CB-CE1 3.98Å; M145-F178 HydrophobicContact CB-CG 4.16Å; M145-F178 HydrophobicContact SD-CB 3.62Å; M145-F178 HydrophobicContact SD-CD1 4.37Å; M145-F178 HydrophobicContact SD-CG 4.04Å; M145-T180 HydrophobicContact CE-CG2 3.74Å; M145-L189 HydrophobicContact CE-CD1 3.1Å; M145-L189 HydrophobicContact CE-CD2 3.99Å; M145-L189 HydrophobicContact CE-CG 4.06Å; M145-L189 HydrophobicContact CG-CD1 3.61Å; M145-L189 HydrophobicContact CG-CD2 4.12Å; M145-L189 HydrophobicContact CG-CG 3.99Å; M145-L189 HydrophobicContact SD-CD1 4.13Å; M145-V190 CarbonylContact C-O 3.55Å; M145-V191 HydrophobicContact CB-CG2 4.32Å; M145-V191 HydrophobicContact CG-CG2 4.29Å |
| 146 | V | 82.6 | Confident | 80.2 | Confident | 26 Ų | 26 | 60 Ų | 60 | 16% | 0.158 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.6 | 178.3 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | I148 V156 Q159 V190 | V146-I148 HydrophobicContact CG1-CG1 4.06Å; V146-V156 HydrophobicContact CG1-CB 4.44Å; V146-V156 HydrophobicContact CG1-CG1 3.66Å; V146-V156 HydrophobicContact CG1-CG2 4Å; V146-Q159 HydrophobicContact CG2-CG 4.2Å; V146-V190 PolarHBondContact N-O 3.13Å; V146-V190 PolarHBondContact O-N 3.07Å |
| 147 | S | 77.1 | Confident | 79.8 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 4% | 0.035 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.5 | 171.5 | 62.1 | 0 | 0 | 0 | 0 | 110 | V157 G158 I182 | S147-V157 PolarHBondContact O-N 3.39Å; S147-G158 PolarHBondContact N-O 2.68Å; S147-G158 PolarHBondContact O-N 2.91Å; S147-G158 PolarHBondContact OG-N 2.83Å; S147-G158 VanDerWaalsContact OG-N 3.08Å; S147-G158 PolarHBondContact OG-O 2.9Å; S147-G158 VanDerWaalsContact OG-O 3.11Å; S147-I182 WeakPolarHBondContact OG-CD1 3.36Å |
| 148 | I | 77.1 | Confident | 79.3 | Confident | 27 Ų | 27 | 57.7 Ų | 57.7 | 14% | 0.138 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 121.6 | -177.6 | -56.1 | 173.6 | 0 | 0 | 0 | 108.2 | V146 V150 R154 R155 V156 A187 L188 V190 | V146-I148 HydrophobicContact CG1-CG1 4.06Å; I148-V150 HydrophobicContact CG2-CG2 4.48Å; I148-R154 HydrophobicContact CG2-CB 3.87Å; I148-R154 HydrophobicContact CG2-CG 4.23Å; I148-R155 CarbonylContact C-O 3.55Å; I148-R155 WeakPolarHBondContact CA-O 3.47Å; I148-V156 HydrophobicContact CG1-CG2 4.41Å; I148-A187 CarbonylContact O-C 3.58Å; I148-A187 WeakPolarHBondContact O-CA 3.12Å; I148-L188 HydrophobicContact CB-CB 4.35Å; I148-L188 HydrophobicContact CD1-CD2 4.48Å; I148-L188 PolarHBondContact N-O 2.79Å; I148-L188 PolarHBondContact O-N 2.79Å; I148-V190 HydrophobicContact CD1-CG2 3.96Å |
| 149 | L | 75.1 | Confident | 79.1 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 131.7 | 171.6 | -171.5 | 79.8 | 0 | 0 | 0 | 109.3 | L151 S153 R154 R155 V157 F184 | L149-L151 HydrophobicContact CD1-CD1 3.36Å; L149-L151 HydrophobicContact CD2-CD1 4.31Å; L149-L151 HydrophobicContact CG-CD1 3.78Å; L149-S153 VanDerWaalsContact O-O 3.11Å; L149-R154 WeakPolarHBondContact O-CA 3.41Å; L149-R155 PolarHBondContact N-O 3.18Å; L149-R155 PolarHBondContact O-N 3.14Å; L149-R155 VanDerWaalsContact O-N 3.17Å; L149-V157 HydrophobicContact CB-CB 4.49Å; L149-V157 HydrophobicContact CB-CG2 3.31Å; L149-V157 HydrophobicContact CD2-CG2 4.13Å; L149-V157 HydrophobicContact CG-CG2 4.25Å; L149-F184 HydrophobicContact CD1-CB 4.13Å; L149-F184 HydrophobicContact CD1-CG 4.17Å |
| 150 | V | 73.6 | Confident | 78.8 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | trans | -114.3 | 8.1 | -171.8 | -167.7 | 0 | 0 | 0 | 0 | 112.6 | I148 D152 L188 | I148-V150 HydrophobicContact CG2-CG2 4.48Å; V150-D152 VanDerWaalsContact C-N 3.3Å; V150-D152 PolarHBondContact O-N 3.14Å; V150-L188 HydrophobicContact CG2-CB 3.92Å | ||
| 151 | L | 70.9 | Confident | 78.6 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 63% | 0.628 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -65.2 | -20.9 | -172.5 | -84.4 | 121.5 | 0 | 0 | 0 | 116 | L149 T186 | L149-L151 HydrophobicContact CD1-CD1 3.36Å; L149-L151 HydrophobicContact CD2-CD1 4.31Å; L149-L151 HydrophobicContact CG-CD1 3.78Å; L151-T186 WeakPolarHBondContact CD1-OG1 3.36Å; L151-T186 WeakPolarHBondContact CG-OG1 3.48Å |
| 152 | D | 67.7 | Low | 78.1 | Confident | 162 Ų | 162 | 67.9 Ų | 67.9 | 87% | 0.866 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -162.6 | -38.6 | 178.9 | -164.1 | 29.6 | 0 | 0 | 0 | 112.9 | V150 | V150-D152 VanDerWaalsContact C-N 3.3Å; V150-D152 PolarHBondContact O-N 3.14Å |
| 153 | S | 71.3 | Confident | 77.6 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 36% | 0.357 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -138.3 | 139.8 | 168.8 | 50.3 | 0 | 0 | 0 | 0 | 108.7 | L149 R155 | L149-S153 VanDerWaalsContact O-O 3.11Å; S153-R155 PolarHBondContact O-N 2.92Å; S153-R155 PolarHBondContact OG-NE 2.88Å |
| 154 | R | 77 | Confident | 77 | Confident | 198 Ų | 198 | 73 Ų | 73 | 75% | 0.747 | 38% | 0.382 | S | S | * | . | trans | -62.6 | 97.7 | 177.1 | -71.3 | -174.4 | -177.7 | -155.6 | 0.5 | 109 | I148 L149 | I148-R154 HydrophobicContact CG2-CB 3.87Å; I148-R154 HydrophobicContact CG2-CG 4.23Å; L149-R154 WeakPolarHBondContact O-CA 3.41Å | ||
| 155 | R | 79.6 | Confident | 76.9 | Confident | 168 Ų | 168 | 79.3 Ų | 79.3 | 63% | 0.634 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.2 | 177.4 | -69.2 | -177.1 | -176.2 | -178.5 | -1.2 | 108.8 | I148 L149 S153 V157 | I148-R155 CarbonylContact C-O 3.55Å; I148-R155 WeakPolarHBondContact CA-O 3.47Å; L149-R155 PolarHBondContact N-O 3.18Å; L149-R155 PolarHBondContact O-N 3.14Å; L149-R155 VanDerWaalsContact O-N 3.17Å; S153-R155 PolarHBondContact O-N 2.92Å; S153-R155 PolarHBondContact OG-NE 2.88Å; R155-V157 HydrophobicContact CB-CG2 4.47Å; R155-V157 WeakPolarHBondContact O-CG2 3.44Å; R155-V157 PolarHBondContact O-N 2.8Å |
| 156 | V | 80.9 | Confident | 77.1 | Confident | 90 Ų | 90 | 81.1 Ų | 81.1 | 55% | 0.545 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 115.7 | 171.2 | 177.6 | 0 | 0 | 0 | 0 | 107.1 | V146 I148 | V146-V156 HydrophobicContact CG1-CB 4.44Å; V146-V156 HydrophobicContact CG1-CG1 3.66Å; V146-V156 HydrophobicContact CG1-CG2 4Å; I148-V156 HydrophobicContact CG1-CG2 4.41Å |
| 157 | V | 76.6 | Confident | 77.3 | Confident | 57 Ų | 57 | 82.8 Ų | 82.8 | 35% | 0.345 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -9.6 | -178.2 | -165.7 | 0 | 0 | 0 | 0 | 112 | S147 L149 R155 F184 | S147-V157 PolarHBondContact O-N 3.39Å; L149-V157 HydrophobicContact CB-CB 4.49Å; L149-V157 HydrophobicContact CB-CG2 3.31Å; L149-V157 HydrophobicContact CD2-CG2 4.13Å; L149-V157 HydrophobicContact CG-CG2 4.25Å; R155-V157 HydrophobicContact CB-CG2 4.47Å; R155-V157 WeakPolarHBondContact O-CG2 3.44Å; R155-V157 PolarHBondContact O-N 2.8Å; V157-F184 HydrophobicContact CB-CD2 4.47Å; V157-F184 HydrophobicContact CB-CE2 4.06Å; V157-F184 HydrophobicContact CG1-CD2 4.02Å; V157-F184 HydrophobicContact CG1-CE2 3.19Å; V157-F184 HydrophobicContact CG1-CZ 3.65Å |
| 158 | G | 74.2 | Confident | 77.7 | Confident | 18 Ų | 18 | 82.6 Ų | 82.6 | 19% | 0.186 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | 162 | 160.4 | 0 | 0 | 0 | 0 | 0 | 113 | S147 I182 | S147-G158 PolarHBondContact N-O 2.68Å; S147-G158 PolarHBondContact O-N 2.91Å; S147-G158 PolarHBondContact OG-N 2.83Å; S147-G158 VanDerWaalsContact OG-N 3.08Å; S147-G158 PolarHBondContact OG-O 2.9Å; S147-G158 VanDerWaalsContact OG-O 3.11Å; G158-I182 VanDerWaalsContact CA-CD1 3.45Å |
| 159 | Q | 83.5 | Confident | 78.2 | Confident | 129 Ų | 129 | 83.6 Ų | 83.6 | 60% | 0.603 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 121.3 | -173.2 | 178.7 | 173.5 | 7.7 | 0 | 0 | 107.5 | M145 V146 T161 | M145-Q159 CarbonylContact O-C 3.44Å; M145-Q159 WeakPolarHBondContact O-CA 3.49Å; V146-Q159 HydrophobicContact CG2-CG 4.2Å; Q159-T161 HydrophobicContact CG-CG2 4.37Å |
| 160 | V | 80.3 | Confident | 78.8 | Confident | 34 Ų | 34 | 86.2 Ų | 86.2 | 21% | 0.206 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.4 | 176 | -177.8 | 0 | 0 | 0 | 0 | 106.8 | S144 M145 F178 N179 | S144-V160 CarbonylContact C-O 3.58Å; S144-V160 WeakPolarHBondContact CA-O 3.06Å; M145-V160 HydrophobicContact CB-CB 4.4Å; M145-V160 PolarHBondContact N-O 3.05Å; M145-V160 PolarHBondContact O-N 3.49Å; M145-V160 HydrophobicContact SD-CB 4.46Å; V160-F178 HydrophobicContact CG1-CD1 4.17Å; V160-N179 WeakPolarHBondContact CG2-O 3.39Å |
| 161 | T | 81.7 | Confident | 79.3 | Confident | 82 Ų | 82 | 91.3 Ų | 91.3 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.4 | 173.5 | 53.1 | 0 | 0 | 0 | 0 | 107.8 | Q159 | Q159-T161 HydrophobicContact CG-CG2 4.37Å |
| 162 | N | 75.8 | Confident | 80 | Confident | 49 Ų | 49 | 87.6 Ų | 87.6 | 26% | 0.262 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 98.3 | 171.7 | -160.4 | -14.1 | 0 | 0 | 0 | 107.5 | A143 T164 A177 F178 | A143-N162 PolarHBondContact N-O 2.84Å; A143-N162 VanDerWaalsContact N-O 3.14Å; A143-N162 PolarHBondContact O-N 2.86Å; N162-T164 VanDerWaalsContact C-N 3.31Å; N162-T164 PolarHBondContact O-N 2.8Å; N162-T164 VanDerWaalsContact O-N 3.14Å; N162-T164 WeakPolarHBondContact OD1-CG2 3.49Å; N162-A177 PolarHBondContact ND2-O 3.14Å; N162-F178 HydrophobicContact CB-CD1 4.17Å; N162-F178 HydrophobicContact CB-CE1 3.87Å |
| 163 | L | 75.8 | Confident | 80.9 | Confident | 129 Ų | 129 | 82.7 Ų | 82.7 | 68% | 0.675 | 43% | 0.43 | S | S | * | . | trans | -82.3 | 82.7 | 174.6 | -72.1 | 108.2 | 0 | 0 | 0 | 108.4 | N142 | N142-L163 WeakPolarHBondContact OD1-CD2 3.27Š| ||
| 164 | T | 71.1 | Confident | 81.5 | Confident | 45 Ų | 45 | 86.3 Ų | 86.3 | 28% | 0.276 | 44% | 0.436 | S | S | . | . | trans | -121.6 | 122.1 | 173.3 | 50.3 | 0 | 0 | 0 | 0 | 109.2 | N162 V166 | N162-T164 VanDerWaalsContact C-N 3.31Å; N162-T164 PolarHBondContact O-N 2.8Å; N162-T164 VanDerWaalsContact O-N 3.14Å; N162-T164 WeakPolarHBondContact OD1-CG2 3.49Å; T164-V166 PolarHBondContact O-N 3.25Å | ||
| 165 | E | 82.8 | Confident | 81.7 | Confident | 157 Ų | 157 | 81.4 Ų | 81.4 | 73% | 0.734 | 43% | 0.429 | S | S | * | . | trans | -78.2 | 102.4 | 165.5 | -168.8 | 175.5 | -175.1 | 0 | 0 | 108.9 | V140 | V140-E165 CarbonylContact O-C 3.54Å; V140-E165 WeakPolarHBondContact O-CA 3.32Å | ||
| 166 | V | 85 | Confident | 81.7 | Confident | 42 Ų | 42 | 73.9 Ų | 73.9 | 26% | 0.255 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 118.4 | 179.8 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | V140 T164 V168 R174 | V140-V166 PolarHBondContact N-O 2.75Å; V140-V166 PolarHBondContact O-N 2.78Å; T164-V166 PolarHBondContact O-N 3.25Å; V166-V168 PolarHBondContact O-N 2.91Å; V166-R174 HydrophobicContact CG1-CG 4.43Å |
| 167 | A | 87.2 | Confident | 81.6 | Confident | 60 Ų | 60 | 71.4 Ų | 71.4 | 50% | 0.496 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 116.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | T137 P169 | T137-A167 HydrophobicContact CG2-CB 4.23Å; A167-P169 WeakPolarHBondContact O-CD 3.2Å |
| 168 | V | 85.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 109.3 | 172.8 | -172.1 | 0 | 0 | 0 | 0 | 107.6 | I130 N132 I138 V140 V166 R174 | I130-V168 HydrophobicContact CG2-CG2 4.43Å; N132-V168 HydrophobicContact CB-CB 4.3Å; N132-V168 HydrophobicContact CB-CG1 3.6Å; N132-V168 PolarHBondContact ND2-O 3.11Å; I138-V168 HydrophobicContact CD1-CB 4.22Å; I138-V168 HydrophobicContact CG1-CB 3.73Å; I138-V168 HydrophobicContact CG1-CG2 4.27Å; I138-V168 PolarHBondContact N-O 2.84Å; I138-V168 VanDerWaalsContact N-O 3.13Å; I138-V168 PolarHBondContact O-N 3.4Å; V140-V168 HydrophobicContact CG2-CG2 3.87Å; V166-V168 PolarHBondContact O-N 2.91Å; V168-R174 HydrophobicContact CB-CG 4.24Å; V168-R174 HydrophobicContact CG1-CB 4.37Å; V168-R174 HydrophobicContact CG1-CG 3.98Å; V168-R174 HydrophobicContact CG2-CB 3.99Å; V168-R174 HydrophobicContact CG2-CG 3.92Å |
| 169 | P | 87.5 | Confident | 81.6 | Confident | 49 Ų | 49 | 72.7 Ų | 72.7 | 32% | 0.318 | 39% | 0.39 | S | S | . | . | trans | -57.9 | 162 | -178.6 | -23 | 33.5 | 0 | 0 | 0 | 112.6 | N132 A167 R171 S172 | N132-P169 PolarHBondContact ND2-O 2.79Å; N132-P169 VanDerWaalsContact ND2-O 3.09Å; A167-P169 WeakPolarHBondContact O-CD 3.2Å; P169-R171 PolarHBondContact O-N 2.77Å; P169-S172 WeakPolarHBondContact O-CB 3.39Å; P169-S172 PolarHBondContact O-N 2.87Å | ||
| 170 | L | 87.7 | Confident | 80.9 | Confident | 95 Ų | 95 | 66.7 Ų | 66.7 | 50% | 0.497 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 137.6 | 172.4 | 65.1 | 93.1 | 0 | 0 | 0 | 110.8 | S172 | L170-S172 PolarHBondContact O-N 2.81Å; L170-S172 VanDerWaalsContact O-N 3.07Å |
| 171 | R | 82.9 | Confident | 80.1 | Confident | 181 Ų | 181 | 70.7 Ų | 70.7 | 68% | 0.683 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 36.9 | 177.9 | -59.4 | -169.8 | 65.7 | -177.9 | -0.3 | 114.2 | N132 N134 P169 | N132-R171 WeakPolarHBondContact O-CA 3.16Å; N132-R171 PolarHBondContact O-N 2.78Å; N134-R171 PolarHBondContact O-N 3.4Å; P169-R171 PolarHBondContact O-N 2.77Å |
| 172 | S | 86.5 | Confident | 79.2 | Confident | 42 Ų | 42 | 68 Ų | 68 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | trans | -127.1 | 161.9 | -177.9 | -168.3 | 0 | 0 | 0 | 0 | 110.9 | N132 P169 L170 | N132-S172 PolarHBondContact N-O 2.86Å; N132-S172 PolarHBondContact O-N 2.89Å; P169-S172 WeakPolarHBondContact O-CB 3.39Å; P169-S172 PolarHBondContact O-N 2.87Å; L170-S172 PolarHBondContact O-N 2.81Å; L170-S172 VanDerWaalsContact O-N 3.07Å | ||
| 173 | S | 85.7 | Confident | 78.4 | Confident | 59 Ų | 59 | 70.6 Ų | 70.6 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 147.6 | 173.8 | 56.9 | 0 | 0 | 0 | 0 | 110.8 | I130 | I130-S173 CarbonylContact O-C 3.54Å; I130-S173 WeakPolarHBondContact O-CA 3.25Å |
| 174 | R | 84.4 | Confident | 77.8 | Confident | 127 Ų | 127 | 69 Ų | 69 | 48% | 0.479 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 135.4 | 173.9 | -71.9 | -65.1 | -167.8 | -177.8 | -0.6 | 109.2 | I130 V166 V168 | I130-R174 PolarHBondContact N-O 2.78Å; I130-R174 PolarHBondContact O-N 2.84Å; V166-R174 HydrophobicContact CG1-CG 4.43Å; V168-R174 HydrophobicContact CB-CG 4.24Å; V168-R174 HydrophobicContact CG1-CB 4.37Å; V168-R174 HydrophobicContact CG1-CG 3.98Å; V168-R174 HydrophobicContact CG2-CB 3.99Å; V168-R174 HydrophobicContact CG2-CG 3.92Å |
| 175 | T | 82.1 | Confident | 77.2 | Confident | 96 Ų | 96 | 71.7 Ų | 71.7 | 59% | 0.589 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.2 | 175.7 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | L128 N129 | L128-T175 CarbonylContact O-C 3.59Å; L128-T175 VanDerWaalsContact O-CA 3.32Å; L128-T175 WeakPolarHBondContact O-CA 3.35Å; N129-T175 HydrophobicContact CB-CG2 4.26Å |
| 176 | I | 78.8 | Confident | 76.1 | Confident | 9 Ų | 9 | 67 Ų | 67 | 5% | 0.046 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.8 | 172.6 | -60 | -171.7 | 0 | 0 | 0 | 108.2 | F127 L128 I130 V140 A143 F178 | F127-I176 WeakPolarHBondContact CA-O 3.48Å; L128-I176 PolarHBondContact N-O 2.89Å; L128-I176 PolarHBondContact O-N 2.86Å; I130-I176 HydrophobicContact CD1-CD1 3.4Å; I130-I176 HydrophobicContact CD1-CG1 3.96Å; V140-I176 HydrophobicContact CG1-CD1 4.11Å; A143-I176 HydrophobicContact CB-CD1 4.27Å; I176-F178 HydrophobicContact CB-CE2 4.43Å; I176-F178 HydrophobicContact CG2-CD2 4.42Å; I176-F178 HydrophobicContact CG2-CE2 3.94Å; I176-F178 HydrophobicContact CG2-CZ 4.15Å |
| 177 | A | 79.3 | Confident | 75.3 | Confident | 39 Ų | 39 | 65.3 Ų | 65.3 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 135.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | V125 K126 F127 N162 | V125-A177 HydrophobicContact CG1-CB 3.84Å; K126-A177 CarbonylContact O-C 3.59Å; K126-A177 WeakPolarHBondContact O-CA 3.33Å; F127-A177 HydrophobicContact CD1-CB 4.02Å; F127-A177 HydrophobicContact CE1-CB 3.89Å; N162-A177 PolarHBondContact ND2-O 3.14Å |
| 178 | F | 76.9 | Confident | 74.7 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 1% | 0.013 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 119.5 | 172.1 | -68.6 | -87.3 | 0 | 0 | 0 | 109.5 | V125 K126 L128 A143 M145 V160 N162 I176 T180 V191 | V125-F178 CarbonylContact C-O 3.52Å; V125-F178 WeakPolarHBondContact CA-O 3.48Å; K126-F178 HydrophobicContact CB-CB 4.47Å; K126-F178 PolarHBondContact N-O 3.08Å; K126-F178 PolarHBondContact O-N 3.43Å; L128-F178 HydrophobicContact CB-CD2 4.43Å; L128-F178 HydrophobicContact CB-CE2 3.94Å; L128-F178 HydrophobicContact CD2-CE2 4.26Å; A143-F178 HydrophobicContact CB-CE1 4.17Å; A143-F178 HydrophobicContact CB-CZ 3.64Å; M145-F178 HydrophobicContact CB-CD1 3.78Å; M145-F178 HydrophobicContact CB-CE1 3.98Å; M145-F178 HydrophobicContact CB-CG 4.16Å; M145-F178 HydrophobicContact SD-CB 3.62Å; M145-F178 HydrophobicContact SD-CD1 4.37Å; M145-F178 HydrophobicContact SD-CG 4.04Å; V160-F178 HydrophobicContact CG1-CD1 4.17Å; N162-F178 HydrophobicContact CB-CD1 4.17Å; N162-F178 HydrophobicContact CB-CE1 3.87Å; I176-F178 HydrophobicContact CB-CE2 4.43Å; I176-F178 HydrophobicContact CG2-CD2 4.42Å; I176-F178 HydrophobicContact CG2-CE2 3.94Å; I176-F178 HydrophobicContact CG2-CZ 4.15Å; F178-T180 PolarHBondContact O-N 2.81Å; F178-V191 HydrophobicContact CE2-CG1 4.01Å; F178-V191 HydrophobicContact CZ-CG1 3.94Å |
| 179 | N | 73.9 | Confident | 74.2 | Confident | 99 Ų | 99 | 63.8 Ų | 63.8 | 53% | 0.529 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 109.2 | 172.9 | -66.5 | -0.9 | 0 | 0 | 0 | 107.8 | V123 V125 V160 | V123-N179 HydrophobicContact CG1-CB 3.88Å; V125-N179 WeakPolarHBondContact CG2-OD1 3.06Å; V160-N179 WeakPolarHBondContact CG2-O 3.39Å |
| 180 | T | 68 | Low | 73.9 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | trans | -109.6 | 149.1 | 178 | -179.4 | 0 | 0 | 0 | 0 | 110 | V123 P124 K126 M145 F178 I182 | V123-T180 WeakPolarHBondContact CG1-O 3.14Å; P124-T180 HydrophobicContact CB-CG2 4.01Å; P124-T180 WeakPolarHBondContact CD-O 3.38Å; P124-T180 HydrophobicContact CG-CG2 4.16Å; P124-T180 WeakPolarHBondContact CG-O 3.48Å; P124-T180 WeakPolarHBondContact O-CG2 3.19Å; P124-T180 PolarHBondContact O-N 3.45Å; P124-T180 VanDerWaalsContact O-O 3.09Å; K126-T180 HydrophobicContact CG-CG2 4.13Å; M145-T180 HydrophobicContact CE-CG2 3.74Å; F178-T180 PolarHBondContact O-N 2.81Å; T180-I182 PolarHBondContact OG1-N 3.28Å | ||
| 181 | T | 63.9 | Low | 73.5 | Confident | 118 Ų | 118 | 58.6 Ų | 58.6 | 72% | 0.724 | 32% | 0.315 | S | S | * | . | trans | -108.2 | 20.6 | 178.6 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 182 | I | 63 | Low | 73.6 | Confident | 24 Ų | 24 | 51.3 Ų | 51.3 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | trans | -119.1 | 121.1 | -161.4 | -58.4 | 172.3 | 0 | 0 | 0 | 110 | S147 G158 T180 F184 | S147-I182 WeakPolarHBondContact OG-CD1 3.36Å; G158-I182 VanDerWaalsContact CA-CD1 3.45Å; T180-I182 PolarHBondContact OG1-N 3.28Å; I182-F184 HydrophobicContact CG2-CD2 3.31Å; I182-F184 HydrophobicContact CG2-CE2 3.58Å; I182-F184 HydrophobicContact CG2-CG 4.44Å | ||
| 183 | T | 58.8 | Low | 73.5 | Confident | 105 Ų | 105 | 49.5 Ų | 49.5 | 64% | 0.644 | 28% | 0.278 | S | S | * | . | trans | -125.4 | 32.2 | -172 | 57.7 | 0 | 0 | 0 | 0 | 113 | P124 | P124-T183 HydrophobicContact CG-CG2 4.27Š| ||
| 184 | F | 62.4 | Low | 73.6 | Confident | 95 Ų | 95 | 48.3 Ų | 48.3 | 42% | 0.417 | 27% | 0.268 | S | S | . | . | trans | -76.8 | 144.7 | -177.2 | -61.4 | -69.9 | 0 | 0 | 0 | 113.1 | L149 V157 I182 T186 | L149-F184 HydrophobicContact CD1-CB 4.13Å; L149-F184 HydrophobicContact CD1-CG 4.17Å; V157-F184 HydrophobicContact CB-CD2 4.47Å; V157-F184 HydrophobicContact CB-CE2 4.06Å; V157-F184 HydrophobicContact CG1-CD2 4.02Å; V157-F184 HydrophobicContact CG1-CE2 3.19Å; V157-F184 HydrophobicContact CG1-CZ 3.65Å; I182-F184 HydrophobicContact CG2-CD2 3.31Å; I182-F184 HydrophobicContact CG2-CE2 3.58Å; I182-F184 HydrophobicContact CG2-CG 4.44Å; F184-T186 PolarHBondContact O-N 2.92Å | ||
| 185 | D | 58.4 | Low | 73.6 | Confident | 102 Ų | 102 | 42.4 Ų | 42.4 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -58.7 | -28.6 | -179.3 | -62.3 | -29.7 | 0 | 0 | 0 | 113.9 | ||
| 186 | T | 60.7 | Low | 73.8 | Confident | 57 Ų | 57 | 41.4 Ų | 41.4 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 93.5 | 178.3 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | L151 F184 | L151-T186 WeakPolarHBondContact CD1-OG1 3.36Å; L151-T186 WeakPolarHBondContact CG-OG1 3.48Å; F184-T186 PolarHBondContact O-N 2.92Å |
| 187 | A | 67.6 | Low | 74 | Confident | 8 Ų | 8 | 42 Ų | 42 | 7% | 0.066 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I148 Q210 | I148-A187 CarbonylContact O-C 3.58Å; I148-A187 WeakPolarHBondContact O-CA 3.12Å; A187-Q210 PolarHBondContact O-N 2.82Å; A187-Q210 VanDerWaalsContact O-N 3.07Å |
| 188 | L | 74.1 | Confident | 74.1 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.131 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 117.8 | 164.7 | 175.9 | 72.5 | 0 | 0 | 0 | 107.6 | I148 V150 V190 N209 | I148-L188 HydrophobicContact CB-CB 4.35Å; I148-L188 HydrophobicContact CD1-CD2 4.48Å; I148-L188 PolarHBondContact N-O 2.79Å; I148-L188 PolarHBondContact O-N 2.79Å; V150-L188 HydrophobicContact CG2-CB 3.92Å; L188-V190 HydrophobicContact CD2-CG2 4.05Å; L188-V190 HydrophobicContact CG-CG2 4.07Å; L188-N209 WeakPolarHBondContact CD1-OD1 3.37Å |
| 189 | L | 75.6 | Confident | 74.2 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.7 | 172.2 | -163.9 | 81.3 | 0 | 0 | 0 | 110.3 | K126 M145 V191 S207 T208 | K126-L189 HydrophobicContact CD-CD2 3.74Å; M145-L189 HydrophobicContact CE-CD1 3.1Å; M145-L189 HydrophobicContact CE-CD2 3.99Å; M145-L189 HydrophobicContact CE-CG 4.06Å; M145-L189 HydrophobicContact CG-CD1 3.61Å; M145-L189 HydrophobicContact CG-CD2 4.12Å; M145-L189 HydrophobicContact CG-CG 3.99Å; M145-L189 HydrophobicContact SD-CD1 4.13Å; L189-V191 HydrophobicContact CD2-CG2 3.66Å; L189-V191 HydrophobicContact CG-CG2 4.23Å; L189-S207 CarbonylContact O-C 3.51Å; L189-S207 WeakPolarHBondContact O-CA 3.35Å; L189-T208 HydrophobicContact CB-CG2 3.64Å; L189-T208 HydrophobicContact CD2-CG2 3.74Å; L189-T208 HydrophobicContact CG-CG2 4.29Å; L189-T208 PolarHBondContact N-O 3.4Å; L189-T208 PolarHBondContact O-N 2.77Å |
| 190 | V | 80.4 | Confident | 74.5 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 118.4 | 173.3 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | M145 V146 I148 L188 T192 I206 | M145-V190 CarbonylContact C-O 3.55Å; V146-V190 PolarHBondContact N-O 3.13Å; V146-V190 PolarHBondContact O-N 3.07Å; I148-V190 HydrophobicContact CD1-CG2 3.96Å; L188-V190 HydrophobicContact CD2-CG2 4.05Å; L188-V190 HydrophobicContact CG-CG2 4.07Å; V190-T192 HydrophobicContact CG1-CG2 4.26Å; V190-I206 CarbonylContact C-O 3.59Å; V190-I206 WeakPolarHBondContact CA-O 2.96Å |
| 191 | V | 80.5 | Confident | 75.2 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.8 | 175.2 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | L128 S144 M145 F178 L189 V193 S205 I206 | L128-V191 HydrophobicContact CD1-CB 4.47Å; L128-V191 HydrophobicContact CD1-CG1 4.33Å; L128-V191 HydrophobicContact CD2-CG1 3.71Å; S144-V191 CarbonylContact O-C 3.56Å; S144-V191 WeakPolarHBondContact O-CA 3.46Å; M145-V191 HydrophobicContact CB-CG2 4.32Å; M145-V191 HydrophobicContact CG-CG2 4.29Å; F178-V191 HydrophobicContact CE2-CG1 4.01Å; F178-V191 HydrophobicContact CZ-CG1 3.94Å; L189-V191 HydrophobicContact CD2-CG2 3.66Å; L189-V191 HydrophobicContact CG-CG2 4.23Å; V191-V193 HydrophobicContact CG1-CG2 4.42Å; V191-S205 CarbonylContact O-C 3.53Å; V191-S205 VanDerWaalsContact O-CA 3.27Å; V191-S205 WeakPolarHBondContact O-CA 3.34Å; V191-I206 HydrophobicContact CB-CG2 3.98Å; V191-I206 PolarHBondContact N-O 2.81Å; V191-I206 PolarHBondContact O-N 2.79Å |
| 192 | T | 84.4 | Confident | 76.2 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.4 | 177.4 | 57.5 | 0 | 0 | 0 | 0 | 109 | A143 S144 V190 T204 | A143-T192 CarbonylContact C-O 3.53Å; A143-T192 WeakPolarHBondContact CA-O 3.15Å; S144-T192 PolarHBondContact N-O 3.06Å; S144-T192 PolarHBondContact O-N 3.09Å; S144-T192 PolarHBondContact O-OG1 3.45Å; S144-T192 PolarHBondContact OG-OG1 3.2Å; V190-T192 HydrophobicContact CG1-CG2 4.26Å; T192-T204 WeakPolarHBondContact CA-O 3.04Å |
| 193 | V | 85.3 | Confident | 77.3 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.3 | 179.1 | -178.5 | 0 | 0 | 0 | 0 | 108 | L105 L128 I130 V140 A143 V191 Q203 T204 | L105-V193 HydrophobicContact CD1-CB 4.1Å; L105-V193 HydrophobicContact CD1-CG2 3.9Å; L105-V193 HydrophobicContact CD2-CB 4.13Å; L105-V193 HydrophobicContact CD2-CG2 3.92Å; L128-V193 HydrophobicContact CD2-CG2 3.57Å; I130-V193 HydrophobicContact CD1-CG1 4Å; I130-V193 HydrophobicContact CD1-CG2 4.25Å; V140-V193 HydrophobicContact CG1-CG1 3.58Å; V140-V193 HydrophobicContact CG2-CG1 4.25Å; A143-V193 HydrophobicContact CB-CG2 4.34Å; V191-V193 HydrophobicContact CG1-CG2 4.42Å; V193-Q203 WeakPolarHBondContact O-CA 3.44Å; V193-T204 PolarHBondContact N-O 2.85Å; V193-T204 PolarHBondContact O-N 3.17Å |
| 194 | T | 86.6 | Confident | 78.4 | Confident | 34 Ų | 34 | 51.5 Ų | 51.5 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.3 | 174 | -49.6 | 0 | 0 | 0 | 0 | 108.2 | V141 N142 E202 | V141-T194 PolarHBondContact N-O 2.86Å; N142-T194 PolarHBondContact N-O 3.34Å; N142-T194 PolarHBondContact O-N 2.83Å; T194-E202 WeakPolarHBondContact CA-O 3.39Å |
| 195 | S | 84.4 | Confident | 79.4 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 151 | 178.9 | 68.6 | 0 | 0 | 0 | 0 | 110.4 | I103 S139 S201 E202 | I103-S195 WeakPolarHBondContact CD1-OG 3.43Å; S139-S195 CarbonylContact O-C 3.52Å; S139-S195 VanDerWaalsContact O-CA 3.3Å; S139-S195 WeakPolarHBondContact O-CA 3.39Å; S195-S201 CarbonylContact O-C 3.48Å; S195-S201 VanDerWaalsContact O-CA 3.32Å; S195-S201 WeakPolarHBondContact O-CA 3.45Å; S195-E202 PolarHBondContact N-O 3.07Å; S195-E202 PolarHBondContact O-N 2.95Å; S195-E202 PolarHBondContact OG-O 2.86Å |
| 196 | H | 86.1 | Confident | 80.5 | Confident | 75 Ų | 75 | 48 Ų | 48 | 35% | 0.347 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.2 | 178 | -178.8 | -98.1 | 0 | 0 | 0 | 109.9 | S139 V141 G199 H200 | S139-H196 PolarHBondContact N-O 3.07Å; S139-H196 PolarHBondContact O-N 3.11Å; S139-H196 WeakPolarHBondContact OG-CB 3.09Å; S139-H196 PolarHBondContact OG-O 2.69Å; V141-H196 HydrophobicContact CG2-CB 3.91Å; H196-G199 VanDerWaalsContact NE2-CA 3.28Å; H196-G199 WeakPolarHBondContact NE2-CA 3.41Å; H196-H200 WeakPolarHBondContact CA-O 3.13Å; H196-H200 PolarHBondContact CD2-O 3.07Å; H196-H200 VanDerWaalsContact CD2-O 3.23Å |
| 197 | Y | 83.3 | Confident | 81.3 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 8% | 0.078 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 139.8 | 177.3 | 58.2 | -96 | 0 | 0 | 0 | 109.9 | P100 I103 I138 G199 H200 E202 | P100-Y197 HydrophobicContact CB-CD2 4.45Å; P100-Y197 HydrophobicContact CB-CE2 3.53Å; P100-Y197 WeakPolarHBondContact CB-OH 3.48Å; P100-Y197 HydrophobicContact CG-CE2 4.06Å; I103-Y197 HydrophobicContact CD1-CD1 4.34Å; I103-Y197 HydrophobicContact CD1-CE1 4.06Å; I138-Y197 HydrophobicContact CG2-CD1 4.21Å; I138-Y197 HydrophobicContact CG2-CG 4.45Å; Y197-G199 PolarHBondContact O-N 3.19Å; Y197-H200 PolarHBondContact N-O 3.18Å; Y197-H200 PolarHBondContact O-N 2.75Å; Y197-H200 VanDerWaalsContact O-O 3.09Å; Y197-E202 HydrophobicContact CE1-CB 3.77Å; Y197-E202 VanDerWaalsContact CE1-OE2 3.25Å; Y197-E202 WeakPolarHBondContact CE1-OE2 3.44Å; Y197-E202 VanDerWaalsContact CZ-OE2 3.29Å; Y197-E202 PolarHBondContact OH-OE2 3.48Å |
| 198 | L | 80.8 | Confident | 81.4 | Confident | 115 Ų | 115 | 50.1 Ų | 50.1 | 60% | 0.602 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 30.6 | 178.2 | -63.8 | 174.9 | 0 | 0 | 0 | 115.3 | L98 L136 H200 | L98-L198 HydrophobicContact CD2-CD1 4.38Å; L136-L198 HydrophobicContact CD1-CD1 4.45Å; L136-L198 HydrophobicContact CD2-CD1 4.02Å; L136-L198 HydrophobicContact CD2-CD2 3.75Å; L136-L198 HydrophobicContact CD2-CG 3.97Å; L198-H200 VanDerWaalsContact C-N 3.26Å; L198-H200 PolarHBondContact O-N 3.13Å |
| 199 | G | 79.1 | Confident | 81.1 | Confident | 66 Ų | 66 | 54.6 Ų | 54.6 | 68% | 0.68 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 4.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H196 Y197 | H196-G199 VanDerWaalsContact NE2-CA 3.28Å; H196-G199 WeakPolarHBondContact NE2-CA 3.41Å; Y197-G199 PolarHBondContact O-N 3.19Å |
| 200 | H | 80.4 | Confident | 80.4 | Confident | 110 Ų | 110 | 56.1 Ų | 56.1 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.3 | 175.6 | -169.9 | -86.4 | 0 | 0 | 0 | 110.4 | H196 Y197 L198 | H196-H200 WeakPolarHBondContact CA-O 3.13Å; H196-H200 PolarHBondContact CD2-O 3.07Å; H196-H200 VanDerWaalsContact CD2-O 3.23Å; Y197-H200 PolarHBondContact N-O 3.18Å; Y197-H200 PolarHBondContact O-N 2.75Å; Y197-H200 VanDerWaalsContact O-O 3.09Å; L198-H200 VanDerWaalsContact C-N 3.26Å; L198-H200 PolarHBondContact O-N 3.13Å |
| 201 | S | 84.3 | Confident | 79.2 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 54% | 0.538 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126 | 171.8 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | S195 | S195-S201 CarbonylContact O-C 3.48Å; S195-S201 VanDerWaalsContact O-CA 3.32Å; S195-S201 WeakPolarHBondContact O-CA 3.45Å |
| 202 | E | 83.3 | Confident | 77.9 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.9 | 174.1 | -173.8 | -178.8 | 170.2 | 0 | 0 | 110.2 | T194 S195 Y197 | T194-E202 WeakPolarHBondContact CA-O 3.39Å; S195-E202 PolarHBondContact N-O 3.07Å; S195-E202 PolarHBondContact O-N 2.95Å; S195-E202 PolarHBondContact OG-O 2.86Å; Y197-E202 HydrophobicContact CE1-CB 3.77Å; Y197-E202 VanDerWaalsContact CE1-OE2 3.25Å; Y197-E202 WeakPolarHBondContact CE1-OE2 3.44Å; Y197-E202 VanDerWaalsContact CZ-OE2 3.29Å; Y197-E202 PolarHBondContact OH-OE2 3.48Å |
| 203 | Q | 86.5 | Confident | 76.3 | Confident | 137 Ų | 137 | 72.4 Ų | 72.4 | 64% | 0.64 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.1 | 174.5 | -174.6 | 173.2 | 74.2 | 0 | 0 | 110.1 | V193 | V193-Q203 WeakPolarHBondContact O-CA 3.44Å |
| 204 | T | 82.7 | Confident | 74.5 | Confident | 30 Ų | 30 | 77.3 Ų | 77.3 | 18% | 0.184 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.6 | 176.3 | -48.1 | 0 | 0 | 0 | 0 | 109 | L105 T192 V193 | L105-T204 HydrophobicContact CD1-CG2 3.7Å; L105-T204 WeakPolarHBondContact CD1-O 3.42Å; L105-T204 HydrophobicContact CG-CG2 3.88Å; T192-T204 WeakPolarHBondContact CA-O 3.04Å; V193-T204 PolarHBondContact N-O 2.85Å; V193-T204 PolarHBondContact O-N 3.17Å |
| 205 | S | 83.2 | Confident | 72.9 | Confident | 82 Ų | 82 | 79.4 Ų | 79.4 | 57% | 0.573 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.6 | 179.9 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | V191 | V191-S205 CarbonylContact O-C 3.53Å; V191-S205 VanDerWaalsContact O-CA 3.27Å; V191-S205 WeakPolarHBondContact O-CA 3.34Å |
| 206 | I | 81.2 | Confident | 71.4 | Confident | 42 Ų | 42 | 84.8 Ų | 84.8 | 22% | 0.215 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 143.1 | 170.2 | -176.8 | 161.6 | 0 | 0 | 0 | 109.2 | L105 L128 V190 V191 | L105-I206 HydrophobicContact CB-CB 4.22Å; L105-I206 HydrophobicContact CB-CG2 4.03Å; L105-I206 HydrophobicContact CD1-CG2 4.15Å; L105-I206 WeakPolarHBondContact O-CD1 3.21Å; L128-I206 HydrophobicContact CD1-CG2 3.93Å; V190-I206 CarbonylContact C-O 3.59Å; V190-I206 WeakPolarHBondContact CA-O 2.96Å; V191-I206 HydrophobicContact CB-CG2 3.98Å; V191-I206 PolarHBondContact N-O 2.81Å; V191-I206 PolarHBondContact O-N 2.79Å |
| 207 | S | 77.7 | Confident | 69.7 | Low | 82 Ų | 82 | 86.6 Ų | 86.6 | 57% | 0.573 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.6 | 174.8 | 64.5 | 0 | 0 | 0 | 0 | 111.2 | L189 | L189-S207 CarbonylContact O-C 3.51Å; L189-S207 WeakPolarHBondContact O-CA 3.35Å |
| 208 | T | 70.3 | Confident | 68 | Low | 27 Ų | 27 | 91.2 Ų | 91.2 | 17% | 0.166 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 141.5 | 176 | 176.3 | 0 | 0 | 0 | 0 | 110 | E109 L189 | E109-T208 WeakPolarHBondContact OE2-CB 3.09Å; E109-T208 WeakPolarHBondContact OE2-CG2 3.37Å; E109-T208 PolarHBondContact OE2-OG1 2.81Å; L189-T208 HydrophobicContact CB-CG2 3.64Å; L189-T208 HydrophobicContact CD2-CG2 3.74Å; L189-T208 HydrophobicContact CG-CG2 4.29Å; L189-T208 PolarHBondContact N-O 3.4Å; L189-T208 PolarHBondContact O-N 2.77Å |
| 209 | N | 66.6 | Low | 66.2 | Low | 119 Ų | 119 | 89.1 Ų | 89.1 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126.9 | 176.5 | -73 | -45.1 | 0 | 0 | 0 | 108.7 | L188 | L188-N209 WeakPolarHBondContact CD1-OD1 3.37Å |
| 210 | Q | 61.4 | Low | 65 | Low | 37 Ų | 37 | 94.1 Ų | 94.1 | 17% | 0.173 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.5 | 172.3 | -62.3 | -158.8 | -60.3 | 0 | 0 | 110.6 | E109 A187 | E109-Q210 PolarHBondContact OE1-NE2 2.77Å; A187-Q210 PolarHBondContact O-N 2.82Å; A187-Q210 VanDerWaalsContact O-N 3.07Å |
| 211 | R | 55.3 | Low | 63.9 | Low | 170 Ų | 170 | 96.7 Ų | 96.7 | 64% | 0.642 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.5 | 167.6 | -68 | -176.8 | 179.2 | 160.7 | -0.6 | 106.9 | Y213 | R211-Y213 HydrophobicContact CB-CE2 4.09Å |
| 212 | L | 52.5 | Low | 62.3 | Low | 74 Ų | 74 | 100.4 Ų | 100.4 | 39% | 0.387 | 55% | 0.549 | S | S | . | . | trans | -88.7 | 124.1 | 169.9 | -144 | 109.6 | 0 | 0 | 0 | 107.4 | ||||
| 213 | Y | 50.6 | Low | 60.6 | Low | 159 Ų | 159 | 103.6 Ų | 103.6 | 62% | 0.624 | 57% | 0.566 | S | S | * | * | trans | -95.1 | 106 | 170.8 | -67 | -88.3 | 0 | 0 | 0 | 107.7 | R211 S215 | R211-Y213 HydrophobicContact CB-CE2 4.09Å; Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 3.11Å; Y213-S215 VanDerWaalsContact O-N 3.11Å | ||
| 214 | C | 47.5 | Very low | 58.3 | Low | 109 Ų | 109 | 107 Ų | 107 | 74% | 0.736 | 60% | 0.596 | S | S | * | * | trans | -78.4 | 86.9 | 166.3 | -66.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 215 | S | 54.1 | Low | 57.1 | Low | 78 Ų | 78 | 110.9 Ų | 110.9 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | trans | -89.6 | 128.1 | 165.9 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | Y213 D217 | Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 3.11Å; Y213-S215 VanDerWaalsContact O-N 3.11Å; S215-D217 PolarHBondContact OG-N 3.31Å; S215-D217 PolarHBondContact OG-O 3Å | ||
| 216 | S | 53.4 | Low | 55.7 | Low | 116 Ų | 116 | 112.4 Ų | 112.4 | 81% | 0.811 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -79.4 | -2.5 | 171.3 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 217 | D | 50.5 | Low | 54.3 | Low | 113 Ų | 113 | 116.3 Ų | 116.3 | 60% | 0.604 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -114.4 | 128.9 | -178.5 | -87.2 | -43.7 | 0 | 0 | 0 | 112.3 | S215 S219 | S215-D217 PolarHBondContact OG-N 3.31Å; S215-D217 PolarHBondContact OG-O 3Å; D217-S219 PolarHBondContact O-N 3.24Å |
| 218 | P | 45.8 | Very low | 52.9 | Low | 117 Ų | 117 | 118.3 Ų | 118.3 | 76% | 0.76 | 65% | 0.646 | S | S | * | * | trans | -80.8 | 54.2 | 172.6 | 36.2 | -34.8 | 0 | 0 | 0 | 110.4 | ||||
| 219 | S | 44.8 | Very low | 51.8 | Low | 71 Ų | 71 | 124 Ų | 124 | 50% | 0.497 | 68% | 0.676 | S | S | . | * | trans | -89.6 | 115.3 | 171.5 | 49.9 | 0 | 0 | 0 | 0 | 110.2 | D217 E221 | D217-S219 PolarHBondContact O-N 3.24Å; S219-E221 PolarHBondContact O-N 2.88Å | ||
| 220 | L | 53.8 | Low | 50.8 | Low | 170 Ų | 170 | 124.3 Ų | 124.3 | 89% | 0.89 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 59.3 | 174.1 | -172.2 | 82.7 | 0 | 0 | 0 | 110.7 | ||
| 221 | E | 56 | Low | 50.1 | Low | 165 Ų | 165 | 130.6 Ų | 130.6 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.4 | -9.6 | -177.7 | -75.6 | -170.1 | 133 | 0 | 0 | 116 | S219 | S219-E221 PolarHBondContact O-N 2.88Š|
| 222 | D | 51.4 | Low | 49.7 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -97.2 | 15.4 | -178.1 | -85.7 | -24.7 | 0 | 0 | 0 | 115.1 | ||
| 223 | I | 47.8 | Very low | 49.4 | Very low | 122 Ų | 122 | 132 Ų | 132 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | trans | -121.1 | 75.3 | 179.6 | -48.7 | 162.7 | 0 | 0 | 0 | 109.3 | V113 | V113-I223 HydrophobicContact CB-CD1 4.41Å; V113-I223 HydrophobicContact CG1-CD1 3.98Å; V113-I223 HydrophobicContact CG2-CD1 3.63Å; V113-I223 HydrophobicContact CG2-CG1 4.05Å | ||
| 224 | T | 37.6 | Very low | 49.3 | Very low | 209 Ų | 209 | 129.5 Ų | 129.5 | 100% | 1.282 | 76% | 0.759 | S | S | * | * | trans | -140 | 0 | 158.7 | -9.5 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 224 of 224 residues in 759 ms
(Link to these results)