| 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 | 49.8 | Very low | 39.6 | Very low | 251 Ų | 251 | 144.1 Ų | 144.1 | 100% | 1.236 | 84% | 0.837 | S | S | * | * | 0 | 97.5 | 0 | -83.9 | 175.5 | 162.5 | 0 | 0 | 107.8 | |||||
| 2 | A | 43 | Very low | 39.1 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | trans | -152.2 | 118.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 3 | D | 44.3 | Very low | 38.8 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 83% | 0.834 | S | S | * | * | trans | -76.6 | 154.8 | -174.1 | -88.7 | -77.4 | 0 | 0 | 0 | 113.5 | ||||
| 4 | R | 40.5 | Very low | 38.8 | Very low | 233 Ų | 233 | 137.6 Ų | 137.6 | 88% | 0.879 | 84% | 0.835 | S | S | * | * | trans | 68 | 147.7 | 144.2 | -74.9 | 170.3 | 170 | 169.9 | -1.8 | 118.9 | ||||
| 5 | D | 38.4 | Very low | 38.9 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 74% | 0.743 | 83% | 0.834 | S | S | * | * | cis | -178.1 | 163.6 | -16.7 | -178 | 29.3 | 0 | 0 | 0 | 105.7 | ||||
| 6 | S | 40.2 | Very low | 38.7 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | trans | 87.7 | 119.6 | 153.1 | -76.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 7 | G | 34 | Very low | 38.7 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 83% | 0.829 | S | S | * | * | trans | 128.5 | 55.1 | 142.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 8 | S | 41.5 | Very low | 38.4 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | 67.9 | 110.5 | 103.6 | 66.3 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 9 | D | 34.5 | Very low | 38.5 | Very low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -40.8 | 135.2 | 167.5 | -86.8 | -69.3 | 0 | 0 | 0 | 117.5 | ||||
| 10 | H | 36.4 | Very low | 38.9 | Very low | 202 Ų | 202 | 130.4 Ų | 130.4 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | trans | -121.9 | 81.5 | 149.6 | -100 | 13.9 | 0 | 0 | 0 | 109.4 | ||||
| 11 | G | 33.5 | Very low | 39.1 | Very low | 67 Ų | 67 | 128.9 Ų | 128.9 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | -74.6 | 118.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 12 | G | 33.6 | Very low | 38.7 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -67.3 | 144.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 13 | L | 34.5 | Very low | 38.7 | Very low | 162 Ų | 162 | 121.5 Ų | 121.5 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -128.3 | 108.3 | 162.9 | -89.6 | 156.2 | 0 | 0 | 0 | 108.6 | ||||
| 14 | A | 38.8 | Very low | 38.6 | Very low | 102 Ų | 102 | 118.6 Ų | 118.6 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -59.2 | 128.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 15 | T | 39.8 | Very low | 38.6 | Very low | 135 Ų | 135 | 116.1 Ų | 116.1 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | -122.9 | 119.9 | 165.4 | 48.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 16 | G | 36.4 | Very low | 38.5 | Very low | 65 Ų | 65 | 111.1 Ų | 111.1 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | -69.8 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G18 | G16-G18 PolarHBondContact O-N 3.06Š| ||
| 17 | P | 39.4 | Very low | 38.4 | Very low | 139 Ų | 139 | 109.4 Ų | 109.4 | 90% | 0.903 | 76% | 0.756 | S | S | * | * | trans | -72.3 | 99.5 | -175.1 | 30.3 | -30.7 | 0 | 0 | 0 | 109.3 | S19 | P17-S19 PolarHBondContact O-N 3.1Š| ||
| 18 | G | 33.1 | Very low | 38.5 | Very low | 69 Ų | 69 | 109.8 Ų | 109.8 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | -65.6 | 111.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G16 L20 | G16-G18 PolarHBondContact O-N 3.06Å; G18-L20 PolarHBondContact O-N 3.04Å | ||
| 19 | S | 40.1 | Very low | 38.3 | Very low | 117 Ų | 117 | 106.5 Ų | 106.5 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -43.4 | 114.2 | 165.4 | 41.2 | 0 | 0 | 0 | 0 | 112.1 | P17 | P17-S19 PolarHBondContact O-N 3.1Š| ||
| 20 | L | 46.3 | Very low | 38.4 | Very low | 156 Ų | 156 | 109.2 Ų | 109.2 | 82% | 0.817 | 73% | 0.732 | S | S | * | * | trans | -59.1 | 139.2 | 169.3 | -74.8 | 148.6 | 0 | 0 | 0 | 110.1 | G18 | G18-L20 PolarHBondContact O-N 3.04Š| ||
| 21 | P | 43 | Very low | 38.6 | Very low | 100 Ų | 100 | 106.3 Ų | 106.3 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | trans | -63.7 | 135.6 | 176.5 | 25 | -31.5 | 0 | 0 | 0 | 110.5 | G23 | P21-G23 PolarHBondContact O-N 2.92Š| ||
| 22 | P | 41.4 | Very low | 39 | Very low | 142 Ų | 142 | 110.5 Ų | 110.5 | 92% | 0.922 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 78.9 | 179.2 | 31.2 | -32.1 | 0 | 0 | 0 | 109.2 | ||
| 23 | G | 42.4 | Very low | 39.6 | Very low | 58 Ų | 58 | 114.7 Ų | 114.7 | 60% | 0.598 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -163.1 | -21 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P21 | P21-G23 PolarHBondContact O-N 2.92Š|
| 24 | A | 42.1 | Very low | 40.7 | Very low | 83 Ų | 83 | 112.9 Ų | 112.9 | 69% | 0.686 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -84.2 | -20.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 25 | M | 41.3 | Very low | 42.5 | Very low | 180 Ų | 180 | 110.6 Ų | 110.6 | 89% | 0.887 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -81.7 | -10.8 | 175.2 | -81.3 | 173 | 85.6 | 0 | 0 | 113.7 | ||
| 26 | G | 35.4 | Very low | 44.7 | Very low | 35 Ų | 35 | 110.3 Ų | 110.3 | 36% | 0.361 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -82.5 | -20 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | R30 | G26-R30 WeakPolarHBondContact O-CB 3.37Å; G26-R30 WeakPolarHBondContact O-CG 3.41Å; G26-R30 PolarHBondContact O-N 3.04Å; G26-R30 VanDerWaalsContact O-N 3.11Å |
| 27 | A | 38.1 | Very low | 47.3 | Very low | 72 Ų | 72 | 111.8 Ų | 111.8 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.6 | -32.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 28 | A | 37.1 | Very low | 49.7 | Very low | 76 Ų | 76 | 107.4 Ų | 107.4 | 63% | 0.628 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -79 | -28 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 29 | A | 36.8 | Very low | 52.6 | Low | 49 Ų | 49 | 104.8 Ų | 104.8 | 41% | 0.405 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -78.8 | -31.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L31 Q32 | A29-L31 VanDerWaalsContact C-N 3.28Å; A29-L31 PolarHBondContact O-N 2.88Å; A29-Q32 PolarHBondContact O-N 3.36Å; A29-Q32 VanDerWaalsContact O-N 3.15Å |
| 30 | R | 36.1 | Very low | 55.2 | Low | 207 Ų | 207 | 102.1 Ų | 102.1 | 78% | 0.781 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -21.1 | -179.8 | -83 | -175.5 | 170.8 | -178.1 | -1.6 | 115 | G26 Q32 | G26-R30 WeakPolarHBondContact O-CB 3.37Å; G26-R30 WeakPolarHBondContact O-CG 3.41Å; G26-R30 PolarHBondContact O-N 3.04Å; G26-R30 VanDerWaalsContact O-N 3.11Å; R30-Q32 VanDerWaalsContact C-N 3.34Å |
| 31 | L | 40.3 | Very low | 57.6 | Low | 141 Ų | 141 | 99.6 Ų | 99.6 | 74% | 0.738 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -11.6 | 174.9 | -74.4 | 167.4 | 0 | 0 | 0 | 113.7 | A29 | A29-L31 VanDerWaalsContact C-N 3.28Å; A29-L31 PolarHBondContact O-N 2.88Å |
| 32 | Q | 43.5 | Very low | 60.1 | Low | 156 Ų | 156 | 99.8 Ų | 99.8 | 73% | 0.729 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -17.9 | 177.6 | -66 | -175.9 | 17.5 | 0 | 0 | 112.8 | A29 R30 | A29-Q32 PolarHBondContact O-N 3.36Å; A29-Q32 VanDerWaalsContact O-N 3.15Å; R30-Q32 VanDerWaalsContact C-N 3.34Å |
| 33 | H | 44.9 | Very low | 62.7 | Low | 164 Ų | 164 | 93 Ų | 93 | 76% | 0.759 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -6.2 | -177.1 | -81.8 | -77.2 | 0 | 0 | 0 | 115.2 | ||
| 34 | D | 59 | Low | 65.2 | Low | 124 Ų | 124 | 93.9 Ų | 93.9 | 66% | 0.663 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 9.4 | 178.1 | -84.7 | -8.1 | 0 | 0 | 0 | 113.4 | ||
| 35 | T | 75.6 | Confident | 67.7 | Low | 54 Ų | 54 | 90.3 Ų | 90.3 | 33% | 0.331 | 48% | 0.477 | S | S | . | . | trans | -115.9 | 108.6 | 178.7 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | K55 Q56 N57 F62 | T35-K55 HydrophobicContact CG2-CB 3.77Å; T35-K55 HydrophobicContact CG2-CD 4.04Å; T35-K55 HydrophobicContact CG2-CG 4.43Å; T35-Q56 CarbonylContact C-O 3.58Å; T35-Q56 VanDerWaalsContact CA-O 3.28Å; T35-Q56 WeakPolarHBondContact CA-O 3.43Å; T35-N57 HydrophobicContact CG2-CB 4.46Å; T35-F62 HydrophobicContact CG2-CE1 3.97Å; T35-F62 HydrophobicContact CG2-CZ 3.79Å | ||
| 36 | E | 85.8 | Confident | 70 | Confident | 129 Ų | 129 | 86.5 Ų | 86.5 | 60% | 0.603 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 140.2 | 174.6 | -173.4 | 173.8 | -179.3 | 0 | 0 | 110.2 | L38 K55 Q56 | E36-L38 HydrophobicContact CG-CD2 4.23Å; E36-K55 CarbonylContact O-C 3.53Å; E36-K55 WeakPolarHBondContact O-CA 3.43Å; E36-K55 WeakPolarHBondContact O-CB 3.48Å; E36-Q56 PolarHBondContact N-O 3.33Å; E36-Q56 PolarHBondContact O-N 2.94Å |
| 37 | E | 91.6 | Very high | 72.5 | Confident | 97 Ų | 97 | 90.1 Ų | 90.1 | 45% | 0.453 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 115 | 172 | -174.7 | 171.5 | 121.7 | 0 | 0 | 108.9 | S40 K55 | E37-S40 WeakPolarHBondContact OE1-CB 3.46Å; E37-K55 HydrophobicContact CB-CG 4.49Å; E37-K55 HydrophobicContact CG-CG 4.43Å; E37-K55 WeakPolarHBondContact OE2-CE 3.42Å; E37-K55 IonicContact OE2-NZ 3.55Å; E37-K55 PolarHBondContact OE2-NZ 3.13Å |
| 38 | L | 89.9 | Confident | 75.1 | Confident | 46 Ų | 46 | 88.4 Ų | 88.4 | 24% | 0.241 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -38.1 | -176.7 | -60 | -178.9 | 0 | 0 | 0 | 111.8 | E36 V54 Q56 R61 Y183 | E36-L38 HydrophobicContact CG-CD2 4.23Å; L38-V54 HydrophobicContact CB-CG1 4.31Å; L38-V54 HydrophobicContact CD1-CG1 4.18Å; L38-V54 PolarHBondContact N-O 3.4Å; L38-Q56 HydrophobicContact CD1-CB 4.03Å; L38-Q56 HydrophobicContact CD2-CB 4.37Å; L38-Q56 HydrophobicContact CG-CB 4.16Å; L38-R61 HydrophobicContact CD1-CG 4.01Å; L38-Y183 HydrophobicContact CB-CD1 3.99Å; L38-Y183 HydrophobicContact CB-CE1 3.9Å; L38-Y183 HydrophobicContact CD1-CD1 4.14Å; L38-Y183 PolarHBondContact O-OH 3.35Å |
| 39 | A | 93.6 | Very high | 77.9 | Confident | 15 Ų | 15 | 90.9 Ų | 90.9 | 12% | 0.124 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 149.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D53 V54 L179 Y183 | A39-D53 CarbonylContact O-C 3.59Å; A39-D53 WeakPolarHBondContact O-CA 3.4Å; A39-V54 HydrophobicContact CB-CB 4.3Å; A39-V54 PolarHBondContact N-O 3.46Å; A39-V54 PolarHBondContact O-N 3.39Å; A39-L179 HydrophobicContact CB-CD2 3.85Å; A39-Y183 HydrophobicContact CB-CD2 4.09Å; A39-Y183 HydrophobicContact CB-CE1 4.37Å; A39-Y183 HydrophobicContact CB-CE2 3.43Å; A39-Y183 VanDerWaalsContact CB-CE2 3.43Å |
| 40 | S | 95.2 | Very high | 80.8 | Confident | 61 Ų | 61 | 88.6 Ų | 88.6 | 43% | 0.427 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 130.3 | 167.7 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | E37 L52 D53 | E37-S40 WeakPolarHBondContact OE1-CB 3.46Å; S40-L52 WeakPolarHBondContact CA-O 3.38Å; S40-D53 WeakPolarHBondContact CB-OD1 3.4Å; S40-D53 PolarHBondContact OG-OD1 2.92Å |
| 41 | K | 96.4 | Very high | 83.7 | Confident | 102 Ų | 102 | 82 Ų | 82 | 44% | 0.443 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.6 | 174.4 | -177.8 | 64.3 | 176.7 | -177.3 | 0 | 109.5 | V43 L52 A175 L179 | K41-V43 HydrophobicContact CG-CG2 4.34Å; K41-L52 HydrophobicContact CB-CB 4.4Å; K41-L52 PolarHBondContact N-O 3.1Å; K41-L52 PolarHBondContact O-N 3.4Å; K41-A175 HydrophobicContact CG-CB 4.02Å; K41-L179 HydrophobicContact CB-CD1 4.04Å; K41-L179 HydrophobicContact CB-CD2 4.46Å |
| 42 | R | 96.3 | Very high | 86.4 | Confident | 104 Ų | 104 | 75.3 Ų | 75.3 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 136.1 | 171.1 | -178.7 | 175.7 | 163.8 | -167.6 | -16.4 | 110.6 | D44 F50 Y51 | R42-D44 IonicContact CZ-OD1 3.43Å; R42-D44 IonicContact CZ-OD2 3.32Å; R42-D44 IonicContact NE-OD1 2.78Å; R42-D44 PolarHBondContact NE-OD1 2.78Å; R42-D44 IonicContact NE-OD2 3.26Å; R42-D44 PolarHBondContact NE-OD2 3.33Å; R42-D44 IonicContact NH2-OD1 3.21Å; R42-D44 PolarHBondContact NH2-OD1 2.89Å; R42-D44 IonicContact NH2-OD2 2.7Å; R42-D44 PolarHBondContact NH2-OD2 3.13Å; R42-F50 CarbonylContact C-O 3.53Å; R42-F50 VanDerWaalsContact CA-O 3.31Å; R42-F50 WeakPolarHBondContact CA-O 3.43Å; R42-Y51 HydrophobicContact CB-CD1 4.25Å; R42-Y51 HydrophobicContact CB-CE1 4.29Å; R42-Y51 HydrophobicContact CG-CD1 4.32Å; R42-Y51 HydrophobicContact CG-CE1 4.05Å |
| 43 | V | 96 | Very high | 88.9 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 119.2 | 175.8 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | K41 I45 F50 L52 E171 A175 | K41-V43 HydrophobicContact CG-CG2 4.34Å; V43-I45 HydrophobicContact CG1-CD1 3.9Å; V43-I45 HydrophobicContact CG1-CG1 3.82Å; V43-F50 HydrophobicContact CB-CB 4.39Å; V43-F50 PolarHBondContact N-O 3.17Å; V43-F50 PolarHBondContact O-N 3.06Å; V43-L52 HydrophobicContact CG2-CD1 3.96Å; V43-E171 HydrophobicContact CG1-CB 4.34Å; V43-E171 HydrophobicContact CG1-CG 3.82Å; V43-A175 HydrophobicContact CG2-CB 3.71Å |
| 44 | D | 94.6 | Very high | 91.3 | Very high | 77 Ų | 77 | 60.8 Ų | 60.8 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.5 | -178.4 | -73.2 | -23.5 | 0 | 0 | 0 | 109.4 | R42 R49 | R42-D44 IonicContact CZ-OD1 3.43Å; R42-D44 IonicContact CZ-OD2 3.32Å; R42-D44 IonicContact NE-OD1 2.78Å; R42-D44 PolarHBondContact NE-OD1 2.78Å; R42-D44 IonicContact NE-OD2 3.26Å; R42-D44 PolarHBondContact NE-OD2 3.33Å; R42-D44 IonicContact NH2-OD1 3.21Å; R42-D44 PolarHBondContact NH2-OD1 2.89Å; R42-D44 IonicContact NH2-OD2 2.7Å; R42-D44 PolarHBondContact NH2-OD2 3.13Å; D44-R49 WeakPolarHBondContact OD1-CB 3.46Å; D44-R49 VanDerWaalsContact OD1-CG 3.26Å; D44-R49 WeakPolarHBondContact OD1-CG 3.35Å |
| 45 | I | 93.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 112.9 | -175.4 | -53.2 | 169.2 | 0 | 0 | 0 | 108.7 | V43 N47 K48 F50 P165 F172 | V43-I45 HydrophobicContact CG1-CD1 3.9Å; V43-I45 HydrophobicContact CG1-CG1 3.82Å; I45-N47 PolarHBondContact O-N 3.45Å; I45-K48 PolarHBondContact N-O 2.88Å; I45-K48 PolarHBondContact O-N 3.36Å; I45-F50 HydrophobicContact CB-CD2 4.4Å; I45-F50 HydrophobicContact CB-CE2 4.16Å; I45-F50 HydrophobicContact CD1-CD2 3.84Å; I45-F50 HydrophobicContact CD1-CE2 3.95Å; I45-F50 HydrophobicContact CG1-CD2 4.22Å; I45-F50 HydrophobicContact CG1-CE2 4.38Å; I45-P165 HydrophobicContact CB-CG 4.46Å; I45-P165 HydrophobicContact CG2-CB 3.73Å; I45-P165 HydrophobicContact CG2-CG 3.71Å; I45-F172 HydrophobicContact CD1-CB 4.33Å; I45-F172 HydrophobicContact CD1-CD2 4.3Å |
| 46 | Q | 89.6 | Confident | 93.4 | Very high | 101 Ų | 101 | 56 Ų | 56 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -122.8 | -173.1 | -57.5 | 177.8 | -11.3 | 0 | 0 | 110.7 | K48 P165 Q167 | Q46-K48 VanDerWaalsContact C-N 3.32Å; Q46-P165 HydrophobicContact CG-CB 4.22Å; Q46-P165 HydrophobicContact CG-CG 4.36Å; Q46-Q167 VanDerWaalsContact NE2-OE1 3.11Å |
| 47 | N | 88.6 | Confident | 93.1 | Very high | 110 Ų | 110 | 52 Ų | 52 | 59% | 0.588 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 21.3 | -179.2 | -50 | -15 | 0 | 0 | 0 | 111.9 | I45 A70 | I45-N47 PolarHBondContact O-N 3.45Å; N47-A70 HydrophobicContact CB-CB 4Å; N47-A70 PolarHBondContact O-N 3.16Å; N47-A70 VanDerWaalsContact O-N 3.15Å |
| 48 | K | 93.1 | Very high | 92.1 | Very high | 37 Ų | 37 | 50.8 Ų | 50.8 | 16% | 0.161 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146.3 | 179.6 | -61.4 | -170.8 | 178.6 | -165.5 | 0 | 110.4 | I45 Q46 F50 E67 V68 A163 P165 | I45-K48 PolarHBondContact N-O 2.88Å; I45-K48 PolarHBondContact O-N 3.36Å; Q46-K48 VanDerWaalsContact C-N 3.32Å; K48-F50 HydrophobicContact CB-CD2 4.47Å; K48-F50 HydrophobicContact CB-CE2 3.74Å; K48-F50 HydrophobicContact CB-CZ 4.2Å; K48-F50 HydrophobicContact CD-CE2 4.32Å; K48-F50 HydrophobicContact CD-CZ 4.03Å; K48-E67 HydrophobicContact CD-CG 4.3Å; K48-E67 WeakPolarHBondContact CD-OE1 3.4Å; K48-E67 VanDerWaalsContact CE-OE1 3.3Å; K48-E67 WeakPolarHBondContact CE-OE1 3.36Å; K48-E67 IonicContact NZ-OE1 3.89Å; K48-E67 PolarHBondContact NZ-OE1 2.83Å; K48-V68 WeakPolarHBondContact CA-O 3.37Å; K48-A163 PolarHBondContact NZ-O 2.98Å; K48-P165 HydrophobicContact CD-CG 4.42Å |
| 49 | R | 95.2 | Very high | 91 | Very high | 128 Ų | 128 | 57.1 Ų | 57.1 | 48% | 0.483 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.2 | 175.5 | -51.7 | -177.5 | 174.7 | 164.7 | -0.5 | 108.6 | D44 Y51 V68 | D44-R49 WeakPolarHBondContact OD1-CB 3.46Å; D44-R49 VanDerWaalsContact OD1-CG 3.26Å; D44-R49 WeakPolarHBondContact OD1-CG 3.35Å; R49-Y51 HydrophobicContact CB-CE2 4.06Å; R49-V68 HydrophobicContact CB-CB 4.43Å; R49-V68 PolarHBondContact N-O 3.48Å; R49-V68 PolarHBondContact O-N 3.1Å |
| 50 | F | 96.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131.9 | 176.2 | -63.9 | -90.5 | 0 | 0 | 0 | 109.4 | R42 V43 I45 K48 L52 I65 A66 E67 L164 F172 | R42-F50 CarbonylContact C-O 3.53Å; R42-F50 VanDerWaalsContact CA-O 3.31Å; R42-F50 WeakPolarHBondContact CA-O 3.43Å; V43-F50 HydrophobicContact CB-CB 4.39Å; V43-F50 PolarHBondContact N-O 3.17Å; V43-F50 PolarHBondContact O-N 3.06Å; I45-F50 HydrophobicContact CB-CD2 4.4Å; I45-F50 HydrophobicContact CB-CE2 4.16Å; I45-F50 HydrophobicContact CD1-CD2 3.84Å; I45-F50 HydrophobicContact CD1-CE2 3.95Å; I45-F50 HydrophobicContact CG1-CD2 4.22Å; I45-F50 HydrophobicContact CG1-CE2 4.38Å; K48-F50 HydrophobicContact CB-CD2 4.47Å; K48-F50 HydrophobicContact CB-CE2 3.74Å; K48-F50 HydrophobicContact CB-CZ 4.2Å; K48-F50 HydrophobicContact CD-CE2 4.32Å; K48-F50 HydrophobicContact CD-CZ 4.03Å; F50-L52 HydrophobicContact CB-CD1 4.11Å; F50-I65 HydrophobicContact CD1-CG2 4.5Å; F50-A66 CarbonylContact C-O 3.57Å; F50-A66 VanDerWaalsContact CA-O 3.25Å; F50-A66 WeakPolarHBondContact CA-O 3.46Å; F50-E67 HydrophobicContact CD1-CB 3.99Å; F50-E67 HydrophobicContact CD1-CG 4.28Å; F50-E67 HydrophobicContact CE1-CB 3.7Å; F50-E67 HydrophobicContact CE1-CG 3.63Å; F50-E67 HydrophobicContact CZ-CG 3.97Å; F50-L164 HydrophobicContact CE1-CD1 3.82Å; F50-L164 HydrophobicContact CE1-CG 3.9Å; F50-L164 HydrophobicContact CZ-CB 4.47Å; F50-L164 HydrophobicContact CZ-CD1 4.26Å; F50-L164 HydrophobicContact CZ-CG 3.97Å; F50-F172 HydrophobicContact CB-CD2 4.37Å; F50-F172 HydrophobicContact CB-CE2 3.95Å; F50-F172 HydrophobicContact CD1-CE2 4.06Å; F50-F172 HydrophobicContact CG-CD2 4.37Å; F50-F172 HydrophobicContact CG-CE2 4.04Å |
| 51 | Y | 97.3 | Very high | 89.8 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121 | 172.5 | -59.5 | -95.5 | 0 | 0 | 0 | 107.9 | R42 R49 I65 A66 V68 | R42-Y51 HydrophobicContact CB-CD1 4.25Å; R42-Y51 HydrophobicContact CB-CE1 4.29Å; R42-Y51 HydrophobicContact CG-CD1 4.32Å; R42-Y51 HydrophobicContact CG-CE1 4.05Å; R49-Y51 HydrophobicContact CB-CE2 4.06Å; Y51-I65 CarbonylContact O-C 3.58Å; Y51-I65 VanDerWaalsContact O-CA 3.29Å; Y51-I65 WeakPolarHBondContact O-CA 3.41Å; Y51-A66 PolarHBondContact N-O 2.98Å; Y51-A66 PolarHBondContact O-N 3.33Å; Y51-V68 HydrophobicContact CD2-CG2 4.19Å; Y51-V68 HydrophobicContact CE2-CG2 3.85Å |
| 52 | L | 97.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 99.2 | 177 | -71.7 | 73.2 | 0 | 0 | 0 | 106.8 | S40 K41 V43 F50 L63 I65 F172 A175 L176 L179 | S40-L52 WeakPolarHBondContact CA-O 3.38Å; K41-L52 HydrophobicContact CB-CB 4.4Å; K41-L52 PolarHBondContact N-O 3.1Å; K41-L52 PolarHBondContact O-N 3.4Å; V43-L52 HydrophobicContact CG2-CD1 3.96Å; F50-L52 HydrophobicContact CB-CD1 4.11Å; L52-L63 HydrophobicContact CB-CD1 4.26Å; L52-I65 HydrophobicContact CG-CG1 4.46Å; L52-F172 HydrophobicContact CD1-CD2 4.3Å; L52-F172 HydrophobicContact CD1-CE2 3.67Å; L52-F172 HydrophobicContact CD1-CZ 4Å; L52-F172 HydrophobicContact CD2-CE1 4.18Å; L52-F172 HydrophobicContact CD2-CE2 4.34Å; L52-F172 HydrophobicContact CD2-CZ 3.97Å; L52-F172 HydrophobicContact CG-CE2 4.27Å; L52-F172 HydrophobicContact CG-CZ 4.08Å; L52-A175 HydrophobicContact CD2-CB 4.45Å; L52-L176 HydrophobicContact CD2-CB 4.32Å; L52-L179 HydrophobicContact CB-CD1 3.65Å; L52-L179 HydrophobicContact CD2-CD1 4.12Å |
| 53 | D | 96.4 | Very high | 89.5 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 116.9 | -178.6 | -46.3 | -41.1 | 0 | 0 | 0 | 109.5 | A39 S40 K55 K64 | A39-D53 CarbonylContact O-C 3.59Å; A39-D53 WeakPolarHBondContact O-CA 3.4Å; S40-D53 WeakPolarHBondContact CB-OD1 3.4Å; S40-D53 PolarHBondContact OG-OD1 2.92Å; D53-K55 HydrophobicContact CB-CD 4.44Å; D53-K55 VanDerWaalsContact CB-CE 3.45Å; D53-K55 HydrophobicContact CB-CG 4.19Å; D53-K64 HydrophobicContact CB-CB 4.44Å; D53-K64 PolarHBondContact N-O 3.31Å; D53-K64 PolarHBondContact O-N 2.9Å |
| 54 | V | 94.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 121.9 | 167.8 | -177.8 | 0 | 0 | 0 | 0 | 107.6 | L38 A39 L63 L179 Y183 | L38-V54 HydrophobicContact CB-CG1 4.31Å; L38-V54 HydrophobicContact CD1-CG1 4.18Å; L38-V54 PolarHBondContact N-O 3.4Å; A39-V54 HydrophobicContact CB-CB 4.3Å; A39-V54 PolarHBondContact N-O 3.46Å; A39-V54 PolarHBondContact O-N 3.39Å; V54-L63 HydrophobicContact CG2-CD1 3.83Å; V54-L179 HydrophobicContact CG2-CB 4.04Å; V54-L179 HydrophobicContact CG2-CD1 4.21Å; V54-L179 HydrophobicContact CG2-CD2 3.98Å; V54-L179 HydrophobicContact CG2-CG 4.3Å; V54-Y183 HydrophobicContact CG1-CG 4.22Å; V54-Y183 HydrophobicContact CG2-CD2 4.47Å |
| 55 | K | 93.2 | Very high | 89.6 | Confident | 34 Ų | 34 | 48.8 Ų | 48.8 | 15% | 0.148 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.1 | -177.1 | -59.4 | -168.5 | -178.2 | -120.2 | 0 | 110.6 | T35 E36 E37 D53 R61 F62 | T35-K55 HydrophobicContact CG2-CB 3.77Å; T35-K55 HydrophobicContact CG2-CD 4.04Å; T35-K55 HydrophobicContact CG2-CG 4.43Å; E36-K55 CarbonylContact O-C 3.53Å; E36-K55 WeakPolarHBondContact O-CA 3.43Å; E36-K55 WeakPolarHBondContact O-CB 3.48Å; E37-K55 HydrophobicContact CB-CG 4.49Å; E37-K55 HydrophobicContact CG-CG 4.43Å; E37-K55 WeakPolarHBondContact OE2-CE 3.42Å; E37-K55 IonicContact OE2-NZ 3.55Å; E37-K55 PolarHBondContact OE2-NZ 3.13Å; D53-K55 HydrophobicContact CB-CD 4.44Å; D53-K55 VanDerWaalsContact CB-CE 3.45Å; D53-K55 HydrophobicContact CB-CG 4.19Å; K55-R61 CarbonylContact O-C 3.44Å; K55-R61 WeakPolarHBondContact O-CA 3.15Å; K55-F62 HydrophobicContact CB-CD1 4.38Å; K55-F62 HydrophobicContact CB-CD2 4.45Å; K55-F62 HydrophobicContact CB-CE1 3.76Å; K55-F62 HydrophobicContact CB-CE2 3.88Å; K55-F62 HydrophobicContact CB-CZ 3.51Å; K55-F62 HydrophobicContact CD-CE2 4.37Å; K55-F62 HydrophobicContact CD-CZ 4.25Å; K55-F62 HydrophobicContact CG-CE2 4.48Å; K55-F62 HydrophobicContact CG-CZ 4.39Å; K55-F62 PolarHBondContact N-O 2.91Å; K55-F62 WeakPolarHBondContact O-CD1 3.38Å; K55-F62 PolarHBondContact O-N 2.93Å |
| 56 | Q | 86.1 | Confident | 89.7 | Confident | 42 Ų | 42 | 49.4 Ų | 49.4 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 133.2 | 176.1 | -173.2 | 159 | -12.2 | 0 | 0 | 109.4 | T35 E36 L38 R61 E187 | T35-Q56 CarbonylContact C-O 3.58Å; T35-Q56 VanDerWaalsContact CA-O 3.28Å; T35-Q56 WeakPolarHBondContact CA-O 3.43Å; E36-Q56 PolarHBondContact N-O 3.33Å; E36-Q56 PolarHBondContact O-N 2.94Å; L38-Q56 HydrophobicContact CD1-CB 4.03Å; L38-Q56 HydrophobicContact CD2-CB 4.37Å; L38-Q56 HydrophobicContact CG-CB 4.16Å; Q56-R61 HydrophobicContact CB-CG 4.09Å; Q56-R61 HydrophobicContact CG-CG 4.01Å; Q56-E187 PolarHBondContact NE2-OE1 3.23Å; Q56-E187 VanDerWaalsContact NE2-OE1 3.16Å |
| 57 | N | 79.1 | Confident | 89.9 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | -178.7 | 169.2 | 65.6 | 26.9 | 0 | 0 | 0 | 109.7 | T35 K59 G60 F62 | T35-N57 HydrophobicContact CG2-CB 4.46Å; N57-K59 PolarHBondContact O-N 2.96Å; N57-K59 WeakPolarHBondContact OD1-CA 3.48Å; N57-K59 VanDerWaalsContact OD1-CB 3.26Å; N57-K59 WeakPolarHBondContact OD1-CB 3.25Å; N57-K59 PolarHBondContact OD1-N 3.48Å; N57-G60 PolarHBondContact N-O 3.03Å; N57-G60 VanDerWaalsContact N-O 3.12Å; N57-G60 PolarHBondContact O-N 3.09Å; N57-G60 PolarHBondContact OD1-N 2.91Å; N57-G60 PolarHBondContact OD1-O 2.88Å; N57-F62 HydrophobicContact CB-CE1 4.16Å; N57-F62 WeakPolarHBondContact ND2-CE1 3.5Å |
| 58 | A | 69.9 | Low | 90.2 | Very high | 73 Ų | 73 | 42 Ų | 42 | 60% | 0.603 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -10 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 59 | K | 67.1 | Low | 90 | Very high | 178 Ų | 178 | 40.9 Ų | 40.9 | 77% | 0.774 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -4.6 | 174.9 | -56.8 | -178.8 | 179.1 | 179.1 | 0 | 113.2 | N57 | N57-K59 PolarHBondContact O-N 2.96Å; N57-K59 WeakPolarHBondContact OD1-CA 3.48Å; N57-K59 VanDerWaalsContact OD1-CB 3.26Å; N57-K59 WeakPolarHBondContact OD1-CB 3.25Å; N57-K59 PolarHBondContact OD1-N 3.48Å |
| 60 | G | 76.9 | Confident | 88.9 | Confident | 29 Ų | 29 | 39 Ų | 39 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.4 | -174 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | N57 | N57-G60 PolarHBondContact N-O 3.03Å; N57-G60 VanDerWaalsContact N-O 3.12Å; N57-G60 PolarHBondContact O-N 3.09Å; N57-G60 PolarHBondContact OD1-N 2.91Å; N57-G60 PolarHBondContact OD1-O 2.88Å |
| 61 | R | 88 | Confident | 87.9 | Confident | 59 Ų | 59 | 42.1 Ų | 42.1 | 22% | 0.223 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 146.1 | 178.8 | -61.7 | -178.7 | -153.9 | 143.5 | 11.7 | 111.4 | L38 K55 Q56 M81 Y183 M185 E187 | L38-R61 HydrophobicContact CD1-CG 4.01Å; K55-R61 CarbonylContact O-C 3.44Å; K55-R61 WeakPolarHBondContact O-CA 3.15Å; Q56-R61 HydrophobicContact CB-CG 4.09Å; Q56-R61 HydrophobicContact CG-CG 4.01Å; R61-M81 HydrophobicContact CB-CG 3.93Å; R61-Y183 PolarHBondContact NH1-O 2.96Å; R61-M185 PolarHBondContact NH1-O 3.2Å; R61-E187 IonicContact NH2-OE1 2.69Å |
| 62 | F | 92.1 | Very high | 86.9 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 155.6 | 177.5 | 67.2 | -87.1 | 0 | 0 | 0 | 110.8 | T35 K55 N57 K64 T78 L79 | T35-F62 HydrophobicContact CG2-CE1 3.97Å; T35-F62 HydrophobicContact CG2-CZ 3.79Å; K55-F62 HydrophobicContact CB-CD1 4.38Å; K55-F62 HydrophobicContact CB-CD2 4.45Å; K55-F62 HydrophobicContact CB-CE1 3.76Å; K55-F62 HydrophobicContact CB-CE2 3.88Å; K55-F62 HydrophobicContact CB-CZ 3.51Å; K55-F62 HydrophobicContact CD-CE2 4.37Å; K55-F62 HydrophobicContact CD-CZ 4.25Å; K55-F62 HydrophobicContact CG-CE2 4.48Å; K55-F62 HydrophobicContact CG-CZ 4.39Å; K55-F62 PolarHBondContact N-O 2.91Å; K55-F62 WeakPolarHBondContact O-CD1 3.38Å; K55-F62 PolarHBondContact O-N 2.93Å; N57-F62 HydrophobicContact CB-CE1 4.16Å; N57-F62 WeakPolarHBondContact ND2-CE1 3.5Å; F62-K64 HydrophobicContact CE2-CB 4.38Å; F62-T78 HydrophobicContact CD2-CG2 3.63Å; F62-T78 HydrophobicContact CE2-CG2 4.09Å; F62-L79 WeakPolarHBondContact CB-O 3.42Å |
| 63 | L | 94.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.8 | 176.6 | -176.4 | 72.1 | 0 | 0 | 0 | 110 | L52 V54 I65 T78 L79 M81 A84 L176 L179 | L52-L63 HydrophobicContact CB-CD1 4.26Å; V54-L63 HydrophobicContact CG2-CD1 3.83Å; L63-I65 HydrophobicContact CD2-CD1 4.08Å; L63-I65 HydrophobicContact CD2-CG1 3.99Å; L63-I65 HydrophobicContact CG-CG1 4.15Å; L63-T78 WeakPolarHBondContact O-CA 3.33Å; L63-L79 HydrophobicContact CB-CB 4.49Å; L63-L79 PolarHBondContact N-O 2.69Å; L63-L79 PolarHBondContact O-N 3.1Å; L63-M81 HydrophobicContact CB-SD 4.33Å; L63-A84 HydrophobicContact CD2-CB 4.15Å; L63-L176 HydrophobicContact CD2-CD1 3.3Å; L63-L179 HydrophobicContact CD1-CD1 4.21Å |
| 64 | K | 95.8 | Very high | 85.9 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 27% | 0.27 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.6 | 172 | -173.9 | -175.7 | 176 | -167.5 | 0 | 109.2 | D53 F62 | D53-K64 HydrophobicContact CB-CB 4.44Å; D53-K64 PolarHBondContact N-O 3.31Å; D53-K64 PolarHBondContact O-N 2.9Å; F62-K64 HydrophobicContact CE2-CB 4.38Å |
| 65 | I | 96.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.8 | 176.4 | -55.9 | 164.6 | 0 | 0 | 0 | 107.7 | F50 Y51 L52 L63 R76 L77 L79 F87 I162 F172 | F50-I65 HydrophobicContact CD1-CG2 4.5Å; Y51-I65 CarbonylContact O-C 3.58Å; Y51-I65 VanDerWaalsContact O-CA 3.29Å; Y51-I65 WeakPolarHBondContact O-CA 3.41Å; L52-I65 HydrophobicContact CG-CG1 4.46Å; L63-I65 HydrophobicContact CD2-CD1 4.08Å; L63-I65 HydrophobicContact CD2-CG1 3.99Å; L63-I65 HydrophobicContact CG-CG1 4.15Å; I65-R76 CarbonylContact O-C 3.57Å; I65-R76 VanDerWaalsContact O-CA 3.25Å; I65-R76 WeakPolarHBondContact O-CA 3.14Å; I65-L77 HydrophobicContact CB-CB 4.38Å; I65-L77 HydrophobicContact CD1-CD2 4.44Å; I65-L77 PolarHBondContact N-O 3.3Å; I65-L77 PolarHBondContact O-N 3.12Å; I65-L79 HydrophobicContact CD1-CD1 3.74Å; I65-L79 HydrophobicContact CD1-CG 4.36Å; I65-F87 HydrophobicContact CD1-CE1 4.19Å; I65-I162 HydrophobicContact CB-CD1 4.38Å; I65-I162 HydrophobicContact CD1-CD1 4.49Å; I65-I162 HydrophobicContact CG2-CD1 3.76Å; I65-F172 HydrophobicContact CD1-CE1 4.47Å; I65-F172 HydrophobicContact CD1-CZ 4.05Å; I65-F172 HydrophobicContact CG1-CZ 4.39Å; I65-F172 HydrophobicContact CG2-CE2 4.24Å; I65-F172 HydrophobicContact CG2-CZ 3.89Å |
| 66 | A | 95.6 | Very high | 85.7 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F50 Y51 S75 | F50-A66 CarbonylContact C-O 3.57Å; F50-A66 VanDerWaalsContact CA-O 3.25Å; F50-A66 WeakPolarHBondContact CA-O 3.46Å; Y51-A66 PolarHBondContact N-O 2.98Å; Y51-A66 PolarHBondContact O-N 3.33Å; A66-S75 CarbonylContact C-O 3.51Å; A66-S75 WeakPolarHBondContact CA-O 3.43Å |
| 67 | E | 94.7 | Very high | 86.1 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.6 | 170.2 | 177.4 | -174 | 159.1 | 0 | 0 | 108.9 | K48 F50 K74 S75 I162 A163 | K48-E67 HydrophobicContact CD-CG 4.3Å; K48-E67 WeakPolarHBondContact CD-OE1 3.4Å; K48-E67 VanDerWaalsContact CE-OE1 3.3Å; K48-E67 WeakPolarHBondContact CE-OE1 3.36Å; K48-E67 IonicContact NZ-OE1 3.89Å; K48-E67 PolarHBondContact NZ-OE1 2.83Å; F50-E67 HydrophobicContact CD1-CB 3.99Å; F50-E67 HydrophobicContact CD1-CG 4.28Å; F50-E67 HydrophobicContact CE1-CB 3.7Å; F50-E67 HydrophobicContact CE1-CG 3.63Å; F50-E67 HydrophobicContact CZ-CG 3.97Å; E67-K74 WeakPolarHBondContact O-CA 3.46Å; E67-S75 PolarHBondContact N-O 3.33Å; E67-S75 PolarHBondContact O-N 2.79Å; E67-I162 HydrophobicContact CB-CB 4.42Å; E67-I162 HydrophobicContact CB-CG2 4.05Å; E67-I162 WeakPolarHBondContact OE2-CA 3.08Å; E67-I162 WeakPolarHBondContact OE2-CB 3.3Å; E67-A163 PolarHBondContact OE2-N 3.47Å |
| 68 | V | 94.1 | Very high | 86.6 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 111.3 | 170.5 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | K48 R49 Y51 K74 | K48-V68 WeakPolarHBondContact CA-O 3.37Å; R49-V68 HydrophobicContact CB-CB 4.43Å; R49-V68 PolarHBondContact N-O 3.48Å; R49-V68 PolarHBondContact O-N 3.1Å; Y51-V68 HydrophobicContact CD2-CG2 4.19Å; Y51-V68 HydrophobicContact CE2-CG2 3.85Å; V68-K74 HydrophobicContact CG2-CG 4.33Å |
| 69 | G | 87.8 | Confident | 87.7 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 162.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G71 G72 N73 | G69-G71 PolarHBondContact O-N 3.22Å; G69-G71 VanDerWaalsContact O-N 3.1Å; G69-G72 PolarHBondContact O-N 3.44Å; G69-N73 PolarHBondContact N-O 3.23Å |
| 70 | A | 73.8 | Confident | 88.8 | Confident | 88 Ų | 88 | 49.4 Ų | 49.4 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -29.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | N47 G72 | N47-A70 HydrophobicContact CB-CB 4Å; N47-A70 PolarHBondContact O-N 3.16Å; N47-A70 VanDerWaalsContact O-N 3.15Å; A70-G72 VanDerWaalsContact C-N 3.3Å; A70-G72 PolarHBondContact O-N 2.96Å |
| 71 | G | 74.9 | Confident | 89.4 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 69% | 0.691 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 12.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G69 N73 | G69-G71 PolarHBondContact O-N 3.22Å; G69-G71 VanDerWaalsContact O-N 3.1Å; G71-N73 PolarHBondContact O-N 3.08Å |
| 72 | G | 76.1 | Confident | 89.4 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 52% | 0.515 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 78 | -2.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G69 A70 K74 | G69-G72 PolarHBondContact O-N 3.44Å; A70-G72 VanDerWaalsContact C-N 3.3Å; A70-G72 PolarHBondContact O-N 2.96Å; G72-K74 PolarHBondContact O-N 2.8Å |
| 73 | N | 84.3 | Confident | 89.4 | Confident | 123 Ų | 123 | 46.8 Ų | 46.8 | 66% | 0.658 | 29% | 0.287 | S | S | * | . | trans | -61.8 | 123.9 | 173.9 | -67.2 | -19.6 | 0 | 0 | 0 | 109.9 | G69 G71 | G69-N73 PolarHBondContact N-O 3.23Å; G71-N73 PolarHBondContact O-N 3.08Å | ||
| 74 | K | 89.7 | Confident | 89.4 | Confident | 170 Ų | 170 | 46.7 Ų | 46.7 | 74% | 0.739 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.2 | 177.7 | -61 | -176.9 | -175 | 176.8 | 0 | 109.4 | E67 V68 G72 | E67-K74 WeakPolarHBondContact O-CA 3.46Å; V68-K74 HydrophobicContact CG2-CG 4.33Å; G72-K74 PolarHBondContact O-N 2.8Å |
| 75 | S | 91.3 | Very high | 89.2 | Confident | 45 Ų | 45 | 46 Ų | 46 | 32% | 0.315 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 152.3 | 172.8 | -58.5 | 0 | 0 | 0 | 0 | 109.1 | A66 E67 T161 | A66-S75 CarbonylContact C-O 3.51Å; A66-S75 WeakPolarHBondContact CA-O 3.43Å; E67-S75 PolarHBondContact N-O 3.33Å; E67-S75 PolarHBondContact O-N 2.79Å; S75-T161 WeakPolarHBondContact CB-O 3.21Å |
| 76 | R | 92.1 | Very high | 89 | Confident | 143 Ų | 143 | 49 Ų | 49 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 150.2 | -179.3 | 75.3 | -179.2 | -171.8 | -172 | 0.8 | 110.7 | I65 Q160 | I65-R76 CarbonylContact O-C 3.57Å; I65-R76 VanDerWaalsContact O-CA 3.25Å; I65-R76 WeakPolarHBondContact O-CA 3.14Å; R76-Q160 VanDerWaalsContact O-CB 3.26Å; R76-Q160 WeakPolarHBondContact O-CB 3.23Å; R76-Q160 WeakPolarHBondContact O-CG 3.48Å; R76-Q160 PolarHBondContact O-OE1 2.78Å |
| 77 | L | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 142.7 | 172.5 | -176.5 | 64.7 | 0 | 0 | 0 | 108.2 | I65 L79 Y129 I144 Q146 Q160 I162 | I65-L77 HydrophobicContact CB-CB 4.38Å; I65-L77 HydrophobicContact CD1-CD2 4.44Å; I65-L77 PolarHBondContact N-O 3.3Å; I65-L77 PolarHBondContact O-N 3.12Å; L77-L79 HydrophobicContact CD1-CD2 4.23Å; L77-L79 HydrophobicContact CD2-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CG 4.4Å; L77-L79 HydrophobicContact CG-CD2 3.77Å; L77-L79 HydrophobicContact CG-CG 4.3Å; L77-Y129 HydrophobicContact CD1-CD1 4.3Å; L77-Y129 HydrophobicContact CD1-CE1 4.08Å; L77-I144 HydrophobicContact CD2-CB 4.33Å; L77-I144 HydrophobicContact CD2-CG2 3.66Å; L77-Q146 HydrophobicContact CD1-CB 3.57Å; L77-Q146 HydrophobicContact CD1-CG 4.47Å; L77-Q160 HydrophobicContact CD1-CB 4.3Å; L77-I162 HydrophobicContact CB-CD1 4.12Å; L77-I162 HydrophobicContact CB-CG1 4.49Å; L77-I162 HydrophobicContact CB-CG2 4.17Å; L77-I162 HydrophobicContact CD2-CD1 3.71Å; L77-I162 HydrophobicContact CD2-CG1 4.09Å |
| 78 | T | 91.4 | Very high | 89.1 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 121.8 | 178.1 | -54.7 | 0 | 0 | 0 | 0 | 109.9 | F62 L63 Y129 Q146 | F62-T78 HydrophobicContact CD2-CG2 3.63Å; F62-T78 HydrophobicContact CE2-CG2 4.09Å; L63-T78 WeakPolarHBondContact O-CA 3.33Å; T78-Y129 PolarHBondContact O-OH 2.82Å; T78-Q146 PolarHBondContact O-OE1 3.08Å |
| 79 | L | 91.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 144.4 | -175 | -51.7 | -176.9 | 0 | 0 | 0 | 109.6 | F62 L63 I65 L77 V83 F87 Y129 | F62-L79 WeakPolarHBondContact CB-O 3.42Å; L63-L79 HydrophobicContact CB-CB 4.49Å; L63-L79 PolarHBondContact N-O 2.69Å; L63-L79 PolarHBondContact O-N 3.1Å; I65-L79 HydrophobicContact CD1-CD1 3.74Å; I65-L79 HydrophobicContact CD1-CG 4.36Å; L77-L79 HydrophobicContact CD1-CD2 4.23Å; L77-L79 HydrophobicContact CD2-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CG 4.4Å; L77-L79 HydrophobicContact CG-CD2 3.77Å; L77-L79 HydrophobicContact CG-CG 4.3Å; L79-V83 HydrophobicContact CB-CB 4.43Å; L79-V83 HydrophobicContact CB-CG1 4.08Å; L79-V83 HydrophobicContact CD1-CG1 4.47Å; L79-V83 HydrophobicContact CD2-CG1 3.84Å; L79-V83 HydrophobicContact CG-CG1 4.34Å; L79-F87 HydrophobicContact CD1-CB 4.5Å; L79-F87 HydrophobicContact CD1-CD1 3.8Å; L79-F87 HydrophobicContact CD1-CE1 4.42Å; L79-F87 HydrophobicContact CD1-CG 4.37Å; L79-Y129 HydrophobicContact CD2-CD1 3.85Å; L79-Y129 HydrophobicContact CD2-CE1 3.26Å |
| 80 | S | 90.2 | Very high | 89.5 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 159.6 | 160.6 | 60.3 | 0 | 0 | 0 | 0 | 109.4 | S82 V83 A84 | S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 PolarHBondContact O-N 3.16Å; S80-S82 PolarHBondContact OG-OG 2.81Å; S80-V83 PolarHBondContact O-N 3.49Å; S80-V83 WeakPolarHBondContact OG-CB 3.23Å; S80-V83 VanDerWaalsContact OG-CG2 3.24Å; S80-V83 WeakPolarHBondContact OG-CG2 3.48Å; S80-V83 PolarHBondContact OG-N 3.06Å; S80-A84 PolarHBondContact O-N 3.32Å |
| 81 | M | 90.3 | Very high | 90.6 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 5% | 0.054 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 175.9 | -68.6 | -51.6 | -67.8 | 0 | 0 | 111.9 | R61 L63 V83 A84 V85 I180 | R61-M81 HydrophobicContact CB-CG 3.93Å; L63-M81 HydrophobicContact CB-SD 4.33Å; M81-V83 PolarHBondContact O-N 3.49Å; M81-A84 WeakPolarHBondContact O-CA 3.27Å; M81-A84 VanDerWaalsContact O-CB 3.31Å; M81-A84 WeakPolarHBondContact O-CB 3.48Å; M81-A84 PolarHBondContact O-N 3.42Å; M81-V85 WeakPolarHBondContact O-CG2 3.34Å; M81-V85 PolarHBondContact O-N 3.48Å; M81-I180 HydrophobicContact CE-CG1 4.22Å |
| 82 | S | 88.3 | Confident | 91.6 | Very high | 53 Ų | 53 | 47.9 Ų | 47.9 | 37% | 0.371 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.7 | -46.7 | 172.5 | 44.4 | 0 | 0 | 0 | 0 | 113.4 | S80 A84 V85 E86 | S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 PolarHBondContact O-N 3.16Å; S80-S82 PolarHBondContact OG-OG 2.81Å; S82-A84 VanDerWaalsContact C-N 3.28Å; S82-A84 PolarHBondContact O-N 3.19Å; S82-V85 PolarHBondContact O-N 3.38Å; S82-E86 PolarHBondContact O-N 3.27Å |
| 83 | V | 91.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.2 | -31.6 | 176.5 | 166.8 | 0 | 0 | 0 | 0 | 111.2 | L79 S80 M81 F87 L122 R124 Y129 | L79-V83 HydrophobicContact CB-CB 4.43Å; L79-V83 HydrophobicContact CB-CG1 4.08Å; L79-V83 HydrophobicContact CD1-CG1 4.47Å; L79-V83 HydrophobicContact CD2-CG1 3.84Å; L79-V83 HydrophobicContact CG-CG1 4.34Å; S80-V83 PolarHBondContact O-N 3.49Å; S80-V83 WeakPolarHBondContact OG-CB 3.23Å; S80-V83 VanDerWaalsContact OG-CG2 3.24Å; S80-V83 WeakPolarHBondContact OG-CG2 3.48Å; S80-V83 PolarHBondContact OG-N 3.06Å; M81-V83 PolarHBondContact O-N 3.49Å; V83-F87 WeakPolarHBondContact O-CB 3.47Å; V83-F87 PolarHBondContact O-N 3.2Å; V83-L122 HydrophobicContact CB-CD2 4.3Å; V83-L122 HydrophobicContact CG1-CD2 3.74Å; V83-L122 HydrophobicContact CG2-CD2 4.23Å; V83-R124 HydrophobicContact CG2-CB 3.7Å; V83-R124 HydrophobicContact CG2-CG 3.77Å; V83-Y129 HydrophobicContact CG1-CD2 4.26Å; V83-Y129 HydrophobicContact CG1-CE2 3.97Å; V83-Y129 HydrophobicContact CG2-CE2 4.29Å |
| 84 | A | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L63 S80 M81 S82 F87 R88 L176 I180 | L63-A84 HydrophobicContact CD2-CB 4.15Å; S80-A84 PolarHBondContact O-N 3.32Å; M81-A84 WeakPolarHBondContact O-CA 3.27Å; M81-A84 VanDerWaalsContact O-CB 3.31Å; M81-A84 WeakPolarHBondContact O-CB 3.48Å; M81-A84 PolarHBondContact O-N 3.42Å; S82-A84 VanDerWaalsContact C-N 3.28Å; S82-A84 PolarHBondContact O-N 3.19Å; A84-F87 PolarHBondContact O-N 2.98Å; A84-R88 PolarHBondContact O-N 3.43Å; A84-L176 HydrophobicContact CB-CD1 4.29Å; A84-I180 HydrophobicContact CB-CD1 4.21Å; A84-I180 HydrophobicContact CB-CG1 4.42Å; A84-I180 WeakPolarHBondContact O-CD1 3.35Å |
| 85 | V | 91.9 | Very high | 93.4 | Very high | 48 Ų | 48 | 35.7 Ų | 35.7 | 29% | 0.291 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.9 | -54.4 | 173.6 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | M81 S82 F87 R88 D89 I180 | M81-V85 WeakPolarHBondContact O-CG2 3.34Å; M81-V85 PolarHBondContact O-N 3.48Å; S82-V85 PolarHBondContact O-N 3.38Å; V85-F87 VanDerWaalsContact C-N 3.25Å; V85-F87 PolarHBondContact O-N 3.41Å; V85-R88 WeakPolarHBondContact O-CB 3.45Å; V85-R88 PolarHBondContact O-N 3.08Å; V85-R88 VanDerWaalsContact O-N 3.08Å; V85-D89 PolarHBondContact O-N 3.21Å; V85-D89 VanDerWaalsContact O-N 3.16Å; V85-I180 HydrophobicContact CG2-CD1 4.41Å; V85-I180 HydrophobicContact CG2-CG2 3.78Å |
| 86 | E | 93.4 | Very high | 93.6 | Very high | 63 Ų | 63 | 39.7 Ų | 39.7 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.3 | -39.7 | 178.5 | -64 | -177.2 | -107 | 0 | 0 | 111 | S82 R88 D89 Y90 L122 | S82-E86 PolarHBondContact O-N 3.27Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-R88 PolarHBondContact O-N 2.86Å; E86-D89 PolarHBondContact O-N 2.81Å; E86-Y90 HydrophobicContact CB-CE2 4.4Å; E86-Y90 WeakPolarHBondContact O-CD2 3.12Å; E86-Y90 PolarHBondContact O-N 3.46Å; E86-L122 HydrophobicContact CB-CD2 3.95Å; E86-L122 WeakPolarHBondContact OE2-CD1 3.29Å |
| 87 | F | 94.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 176.4 | -179 | -132.1 | 0 | 0 | 0 | 112.8 | I65 L79 V83 A84 V85 D89 Y90 L91 M131 I144 F172 L176 | I65-F87 HydrophobicContact CD1-CE1 4.19Å; L79-F87 HydrophobicContact CD1-CB 4.5Å; L79-F87 HydrophobicContact CD1-CD1 3.8Å; L79-F87 HydrophobicContact CD1-CE1 4.42Å; L79-F87 HydrophobicContact CD1-CG 4.37Å; V83-F87 WeakPolarHBondContact O-CB 3.47Å; V83-F87 PolarHBondContact O-N 3.2Å; A84-F87 PolarHBondContact O-N 2.98Å; V85-F87 VanDerWaalsContact C-N 3.25Å; V85-F87 PolarHBondContact O-N 3.41Å; F87-D89 VanDerWaalsContact C-N 3.31Å; F87-D89 PolarHBondContact O-N 2.87Å; F87-Y90 PolarHBondContact O-N 3.46Å; F87-L91 HydrophobicContact CD1-CD1 4.35Å; F87-L91 HydrophobicContact CD2-CG 4.31Å; F87-L91 HydrophobicContact CE1-CD1 4.01Å; F87-L91 HydrophobicContact CE2-CD1 4.32Å; F87-L91 HydrophobicContact CE2-CD2 4.01Å; F87-L91 HydrophobicContact CE2-CG 3.95Å; F87-L91 HydrophobicContact CZ-CD1 3.98Å; F87-L91 HydrophobicContact CZ-CD2 4.02Å; F87-L91 HydrophobicContact CZ-CG 4.06Å; F87-L91 VanDerWaalsContact O-CG 3.31Å; F87-L91 WeakPolarHBondContact O-CG 3.45Å; F87-L91 PolarHBondContact O-N 3.1Å; F87-M131 HydrophobicContact CD2-SD 3.6Å; F87-M131 HydrophobicContact CE2-SD 3.84Å; F87-I144 HydrophobicContact CE2-CD1 4.19Å; F87-I144 HydrophobicContact CE2-CG1 3.88Å; F87-I144 HydrophobicContact CZ-CD1 3.89Å; F87-I144 HydrophobicContact CZ-CG1 4.01Å; F87-F172 AromaticContact CE1-CE1 3.85Å; F87-F172 HydrophobicContact CE1-CE1 3.85Å; F87-F172 HydrophobicContact CZ-CE1 4.44Å; F87-L176 HydrophobicContact CD1-CD2 3.65Å; F87-L176 HydrophobicContact CE1-CD2 4.2Å; F87-L176 HydrophobicContact CG-CD2 4.44Å |
| 88 | R | 95.9 | Very high | 93.6 | Very high | 70 Ų | 70 | 38.2 Ų | 38.2 | 26% | 0.264 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60 | -42.8 | 173.9 | -176.8 | -78.9 | -55.1 | -103.8 | 3.5 | 111.1 | A84 V85 E86 L91 G92 R173 L176 A177 I180 | A84-R88 PolarHBondContact O-N 3.43Å; V85-R88 WeakPolarHBondContact O-CB 3.45Å; V85-R88 PolarHBondContact O-N 3.08Å; V85-R88 VanDerWaalsContact O-N 3.08Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-R88 PolarHBondContact O-N 2.86Å; R88-L91 WeakPolarHBondContact O-CB 3.2Å; R88-L91 PolarHBondContact O-N 2.88Å; R88-G92 PolarHBondContact O-N 2.91Å; R88-R173 HydrophobicContact CG-CG 4.15Å; R88-L176 HydrophobicContact CB-CD2 3.9Å; R88-L176 HydrophobicContact CB-CG 4.25Å; R88-A177 HydrophobicContact CG-CB 4.09Å; R88-I180 HydrophobicContact CB-CD1 3.96Å; R88-I180 HydrophobicContact CG-CD1 4.42Å |
| 89 | D | 95.1 | Very high | 93.6 | Very high | 75 Ų | 75 | 40.6 Ų | 40.6 | 40% | 0.401 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.7 | -47.6 | 179.8 | -59 | -21.4 | 0 | 0 | 0 | 110.8 | V85 E86 F87 L91 G92 D93 | V85-D89 PolarHBondContact O-N 3.21Å; V85-D89 VanDerWaalsContact O-N 3.16Å; E86-D89 PolarHBondContact O-N 2.81Å; F87-D89 VanDerWaalsContact C-N 3.31Å; F87-D89 PolarHBondContact O-N 2.87Å; D89-L91 VanDerWaalsContact C-N 3.28Å; D89-L91 PolarHBondContact O-N 3.4Å; D89-G92 WeakPolarHBondContact O-CA 3.34Å; D89-G92 PolarHBondContact O-N 3.37Å; D89-D93 PolarHBondContact O-N 3.03Å |
| 90 | Y | 96.1 | Very high | 93.6 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 22% | 0.216 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.2 | -36.5 | 174.5 | -76 | -63.6 | 0 | 0 | 0 | 112.9 | E86 F87 G92 D93 F94 E120 L122 M131 | E86-Y90 HydrophobicContact CB-CE2 4.4Å; E86-Y90 WeakPolarHBondContact O-CD2 3.12Å; E86-Y90 PolarHBondContact O-N 3.46Å; F87-Y90 PolarHBondContact O-N 3.46Å; Y90-G92 PolarHBondContact O-N 2.81Å; Y90-D93 PolarHBondContact O-N 3.47Å; Y90-D93 VanDerWaalsContact O-N 3.17Å; Y90-F94 WeakPolarHBondContact O-CD2 3.23Å; Y90-F94 PolarHBondContact O-N 3.02Å; Y90-E120 HydrophobicContact CD1-CB 4.06Å; Y90-E120 HydrophobicContact CD1-CG 3.97Å; Y90-E120 HydrophobicContact CE1-CB 4.16Å; Y90-E120 HydrophobicContact CE1-CG 4.18Å; Y90-L122 HydrophobicContact CE2-CB 4.38Å; Y90-M131 HydrophobicContact CD1-CE 4.33Å; Y90-M131 HydrophobicContact CD2-CE 3.63Å; Y90-M131 HydrophobicContact CD2-SD 4.48Å; Y90-M131 HydrophobicContact CE2-CE 4.11Å; Y90-M131 HydrophobicContact CG-CE 3.77Å; Y90-M131 HydrophobicContact CG-SD 4.45Å |
| 91 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.4 | -37.7 | 173.5 | -75.5 | 173.3 | 0 | 0 | 0 | 111.3 | F87 R88 D89 F94 I95 L142 L169 F172 R173 L176 | F87-L91 HydrophobicContact CD1-CD1 4.35Å; F87-L91 HydrophobicContact CD2-CG 4.31Å; F87-L91 HydrophobicContact CE1-CD1 4.01Å; F87-L91 HydrophobicContact CE2-CD1 4.32Å; F87-L91 HydrophobicContact CE2-CD2 4.01Å; F87-L91 HydrophobicContact CE2-CG 3.95Å; F87-L91 HydrophobicContact CZ-CD1 3.98Å; F87-L91 HydrophobicContact CZ-CD2 4.02Å; F87-L91 HydrophobicContact CZ-CG 4.06Å; F87-L91 VanDerWaalsContact O-CG 3.31Å; F87-L91 WeakPolarHBondContact O-CG 3.45Å; F87-L91 PolarHBondContact O-N 3.1Å; R88-L91 WeakPolarHBondContact O-CB 3.2Å; R88-L91 PolarHBondContact O-N 2.88Å; D89-L91 VanDerWaalsContact C-N 3.28Å; D89-L91 PolarHBondContact O-N 3.4Å; L91-F94 PolarHBondContact O-N 3.04Å; L91-I95 WeakPolarHBondContact O-CB 3.12Å; L91-I95 VanDerWaalsContact O-CD1 3.25Å; L91-I95 WeakPolarHBondContact O-CD1 3.35Å; L91-I95 WeakPolarHBondContact O-CG1 3.03Å; L91-I95 PolarHBondContact O-N 3.42Å; L91-L142 HydrophobicContact CD2-CD2 3.58Å; L91-L169 HydrophobicContact CD2-CD2 3.85Å; L91-F172 HydrophobicContact CD1-CD1 3.81Å; L91-F172 HydrophobicContact CD1-CE1 4.33Å; L91-R173 HydrophobicContact CB-CB 4.17Å; L91-R173 HydrophobicContact CB-CG 4.21Å; L91-R173 HydrophobicContact CD1-CB 4.24Å; L91-L176 HydrophobicContact CD1-CD2 4.06Å |
| 92 | G | 95.8 | Very high | 92.8 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.2 | -53.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R88 D89 Y90 F94 I95 E96 | R88-G92 PolarHBondContact O-N 2.91Å; D89-G92 WeakPolarHBondContact O-CA 3.34Å; D89-G92 PolarHBondContact O-N 3.37Å; Y90-G92 PolarHBondContact O-N 2.81Å; G92-F94 VanDerWaalsContact C-N 3.27Å; G92-F94 PolarHBondContact O-N 3.41Å; G92-I95 WeakPolarHBondContact O-CB 3.34Å; G92-I95 PolarHBondContact O-N 3.46Å; G92-E96 PolarHBondContact O-N 2.78Å |
| 93 | D | 96.1 | Very high | 92.2 | Very high | 67 Ų | 67 | 52.9 Ų | 52.9 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.2 | -32.6 | 180 | -58.7 | -20.7 | 0 | 0 | 0 | 113.2 | D89 Y90 H97 K118 | D89-D93 PolarHBondContact O-N 3.03Å; Y90-D93 PolarHBondContact O-N 3.47Å; Y90-D93 VanDerWaalsContact O-N 3.17Å; D93-H97 WeakPolarHBondContact O-CB 3.42Å; D93-H97 PolarHBondContact O-N 2.81Å; D93-K118 PolarHBondContact O-NZ 3.07Å |
| 94 | F | 96.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.3 | -37.1 | 174.7 | -80.2 | -67.6 | 0 | 0 | 0 | 112.1 | Y90 L91 G92 Y98 K118 E120 M131 L133 L142 | Y90-F94 WeakPolarHBondContact O-CD2 3.23Å; Y90-F94 PolarHBondContact O-N 3.02Å; L91-F94 PolarHBondContact O-N 3.04Å; G92-F94 VanDerWaalsContact C-N 3.27Å; G92-F94 PolarHBondContact O-N 3.41Å; F94-Y98 VanDerWaalsContact O-CB 3.23Å; F94-Y98 WeakPolarHBondContact O-CB 3.49Å; F94-Y98 PolarHBondContact O-N 2.68Å; F94-K118 HydrophobicContact CD1-CB 4.18Å; F94-K118 HydrophobicContact CD1-CD 3.85Å; F94-K118 HydrophobicContact CD1-CG 4.04Å; F94-K118 HydrophobicContact CE1-CB 3.8Å; F94-K118 HydrophobicContact CE1-CD 3.89Å; F94-K118 HydrophobicContact CE1-CG 3.58Å; F94-K118 HydrophobicContact CZ-CG 4.38Å; F94-E120 HydrophobicContact CE2-CB 4.07Å; F94-E120 HydrophobicContact CE2-CG 4.03Å; F94-E120 HydrophobicContact CZ-CB 3.86Å; F94-E120 HydrophobicContact CZ-CG 3.75Å; F94-M131 HydrophobicContact CE2-CB 3.76Å; F94-M131 HydrophobicContact CE2-SD 4.38Å; F94-M131 HydrophobicContact CZ-CB 3.84Å; F94-M131 WeakPolarHBondContact CZ-O 3.33Å; F94-L133 HydrophobicContact CD1-CB 3.86Å; F94-L133 HydrophobicContact CD1-CD2 4.44Å; F94-L133 HydrophobicContact CE1-CB 3.91Å; F94-L142 HydrophobicContact CD1-CD1 3.92Å; F94-L142 HydrophobicContact CD2-CD1 4.02Å; F94-L142 HydrophobicContact CD2-CD2 4.05Å; F94-L142 HydrophobicContact CE1-CD1 3.78Å; F94-L142 HydrophobicContact CE2-CD1 3.93Å; F94-L142 HydrophobicContact CE2-CD2 4.48Å; F94-L142 HydrophobicContact CG-CD1 4.05Å; F94-L142 HydrophobicContact CG-CD2 4.36Å; F94-L142 HydrophobicContact CZ-CD1 3.81Å |
| 95 | I | 95.4 | Very high | 89.7 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 176.4 | -71.3 | 157.7 | 0 | 0 | 0 | 110.1 | L91 G92 H97 Y98 A99 L169 I170 R173 | L91-I95 WeakPolarHBondContact O-CB 3.12Å; L91-I95 VanDerWaalsContact O-CD1 3.25Å; L91-I95 WeakPolarHBondContact O-CD1 3.35Å; L91-I95 WeakPolarHBondContact O-CG1 3.03Å; L91-I95 PolarHBondContact O-N 3.42Å; G92-I95 WeakPolarHBondContact O-CB 3.34Å; G92-I95 PolarHBondContact O-N 3.46Å; I95-H97 PolarHBondContact O-N 2.86Å; I95-Y98 PolarHBondContact O-N 2.98Å; I95-A99 WeakPolarHBondContact O-CB 3.27Å; I95-A99 PolarHBondContact O-N 3.36Å; I95-L169 HydrophobicContact CD1-CB 4.15Å; I95-L169 HydrophobicContact CG1-CB 3.64Å; I95-I170 HydrophobicContact CD1-CB 4.49Å; I95-I170 HydrophobicContact CD1-CG1 3.92Å; I95-I170 HydrophobicContact CG1-CG1 4.07Å; I95-I170 HydrophobicContact CG2-CD1 4.16Å; I95-I170 HydrophobicContact CG2-CG1 3.78Å; I95-R173 HydrophobicContact CD1-CB 4.07Å; I95-R173 HydrophobicContact CD1-CG 4.47Å |
| 96 | E | 95.5 | Very high | 88.2 | Confident | 128 Ų | 128 | 62.5 Ų | 62.5 | 60% | 0.598 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.5 | -46.4 | 177.5 | -71.2 | -179 | -175.5 | 0 | 0 | 111.7 | G92 Y98 A99 Q100 | G92-E96 PolarHBondContact O-N 2.78Å; E96-Y98 PolarHBondContact O-N 3.33Å; E96-A99 PolarHBondContact O-N 3.01Å; E96-Q100 WeakPolarHBondContact O-CG 3.3Å; E96-Q100 PolarHBondContact O-N 2.96Å |
| 97 | H | 93.8 | Very high | 86.6 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 24% | 0.236 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.5 | -175.2 | 71.4 | 0 | 0 | 0 | 111.4 | D93 I95 A99 Q100 L101 K118 | D93-H97 WeakPolarHBondContact O-CB 3.42Å; D93-H97 PolarHBondContact O-N 2.81Å; I95-H97 PolarHBondContact O-N 2.86Å; H97-A99 VanDerWaalsContact C-N 3.3Å; H97-A99 PolarHBondContact O-N 2.99Å; H97-Q100 PolarHBondContact O-N 3.31Å; H97-Q100 VanDerWaalsContact O-N 3.13Å; H97-L101 WeakPolarHBondContact O-CG 3.29Å; H97-L101 PolarHBondContact O-N 2.81Å; H97-K118 HydrophobicContact CB-CD 3.83Å |
| 98 | Y | 92.4 | Very high | 84.8 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 24% | 0.243 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.1 | -36.7 | 178.1 | 175.2 | -110.1 | 0 | 0 | 0 | 112.7 | F94 I95 E96 Q100 L101 R140 A166 | F94-Y98 VanDerWaalsContact O-CB 3.23Å; F94-Y98 WeakPolarHBondContact O-CB 3.49Å; F94-Y98 PolarHBondContact O-N 2.68Å; I95-Y98 PolarHBondContact O-N 2.98Å; E96-Y98 PolarHBondContact O-N 3.33Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 2.88Å; Y98-L101 HydrophobicContact CD2-CD1 4.33Å; Y98-L101 WeakPolarHBondContact O-CB 3.45Å; Y98-L101 PolarHBondContact O-N 2.89Å; Y98-R140 HydrophobicContact CE2-CB 4.14Å; Y98-R140 HydrophobicContact CE2-CG 4.48Å; Y98-A166 HydrophobicContact CD2-CB 3.81Å; Y98-A166 HydrophobicContact CE1-CB 4.3Å; Y98-A166 HydrophobicContact CE2-CB 3.57Å; Y98-A166 HydrophobicContact CG-CB 4.29Å |
| 99 | A | 91.7 | Very high | 82.9 | Confident | 82 Ų | 82 | 71 Ų | 71 | 68% | 0.678 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66.6 | -26.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I95 E96 H97 | I95-A99 WeakPolarHBondContact O-CB 3.27Å; I95-A99 PolarHBondContact O-N 3.36Å; E96-A99 PolarHBondContact O-N 3.01Å; H97-A99 VanDerWaalsContact C-N 3.3Å; H97-A99 PolarHBondContact O-N 2.99Å |
| 100 | Q | 90.8 | Very high | 80.9 | Confident | 156 Ų | 156 | 75.2 Ų | 75.2 | 73% | 0.729 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -83.5 | -15.4 | 176.1 | -64.7 | 171 | 8.6 | 0 | 0 | 112.9 | E96 H97 Y98 G102 | E96-Q100 WeakPolarHBondContact O-CG 3.3Å; E96-Q100 PolarHBondContact O-N 2.96Å; H97-Q100 PolarHBondContact O-N 3.31Å; H97-Q100 VanDerWaalsContact O-N 3.13Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 2.88Å; Q100-G102 PolarHBondContact O-N 3.3Å |
| 101 | L | 86.2 | Confident | 78.7 | Confident | 46 Ų | 46 | 80.2 Ų | 80.2 | 24% | 0.241 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -76.4 | 124.4 | 178.4 | -63.2 | 174.2 | 0 | 0 | 0 | 110 | H97 Y98 L117 L133 | H97-L101 WeakPolarHBondContact O-CG 3.29Å; H97-L101 PolarHBondContact O-N 2.81Å; Y98-L101 HydrophobicContact CD2-CD1 4.33Å; Y98-L101 WeakPolarHBondContact O-CB 3.45Å; Y98-L101 PolarHBondContact O-N 2.89Å; L101-L117 HydrophobicContact CD1-CD1 3.84Å; L101-L133 HydrophobicContact CD1-CD2 4.17Å |
| 102 | G | 78.8 | Confident | 76.4 | Confident | 46 Ų | 46 | 86.7 Ų | 86.7 | 47% | 0.474 | 48% | 0.481 | S | S | . | . | trans | -62.5 | -177.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q100 R140 | Q100-G102 PolarHBondContact O-N 3.3Å; G102-R140 PolarHBondContact O-NH1 3.26Å; G102-R140 PolarHBondContact O-NH2 3.24Å | ||
| 103 | P | 75.5 | Confident | 74.3 | Confident | 119 Ų | 119 | 91.4 Ų | 91.4 | 77% | 0.773 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -54.4 | 143.4 | 179.9 | 20.5 | -30.1 | 0 | 0 | 0 | 111.8 | N105 | P103-N105 PolarHBondContact O-N 3.36Š|
| 104 | S | 67.9 | Low | 72.8 | Confident | 65 Ų | 65 | 98.6 Ų | 98.6 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | trans | -60.3 | 124.2 | 179.1 | -40.1 | 0 | 0 | 0 | 0 | 109.8 | P106 E135 | S104-P106 VanDerWaalsContact O-CD 3.3Å; S104-P106 WeakPolarHBondContact O-CD 3.35Å; S104-E135 VanDerWaalsContact CA-OE1 3.32Å; S104-E135 WeakPolarHBondContact CA-OE1 3.31Å; S104-E135 VanDerWaalsContact CB-OE1 3.26Å; S104-E135 WeakPolarHBondContact CB-OE1 3.47Å | ||
| 105 | N | 63 | Low | 71.7 | Confident | 95 Ų | 95 | 108.4 Ų | 108.4 | 51% | 0.508 | 57% | 0.568 | S | S | . | * | trans | -99.1 | 103.2 | 177.4 | -91.2 | -8.2 | 0 | 0 | 0 | 109.5 | P103 D107 I108 | P103-N105 PolarHBondContact O-N 3.36Å; N105-D107 VanDerWaalsContact C-N 3.25Å; N105-D107 PolarHBondContact O-N 3.03Å; N105-I108 HydrophobicContact CB-CD1 3.82Å; N105-I108 HydrophobicContact CB-CG1 4.17Å | ||
| 106 | P | 60.6 | Low | 71.2 | Confident | 92 Ų | 92 | 108.5 Ų | 108.5 | 60% | 0.597 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -67.3 | -24 | -175.9 | 27.1 | -34.1 | 0 | 0 | 0 | 113.4 | S104 | S104-P106 VanDerWaalsContact O-CD 3.3Å; S104-P106 WeakPolarHBondContact O-CD 3.35Å |
| 107 | D | 59.6 | Low | 70.8 | Confident | 144 Ų | 144 | 105.8 Ų | 105.8 | 77% | 0.77 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -76.3 | -24.6 | -175.1 | -66.3 | -34.1 | 0 | 0 | 0 | 113.9 | N105 V109 | N105-D107 VanDerWaalsContact C-N 3.25Å; N105-D107 PolarHBondContact O-N 3.03Å; D107-V109 VanDerWaalsContact C-N 3.27Å; D107-V109 PolarHBondContact O-N 2.94Å |
| 108 | I | 57.3 | Low | 70.8 | Confident | 120 Ų | 120 | 105.6 Ų | 105.6 | 62% | 0.615 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -78.8 | -14.5 | -179.3 | -58.2 | 173.8 | 0 | 0 | 0 | 111.4 | N105 Q110 | N105-I108 HydrophobicContact CB-CD1 3.82Å; N105-I108 HydrophobicContact CB-CG1 4.17Å; I108-Q110 VanDerWaalsContact C-N 3.29Å; I108-Q110 PolarHBondContact O-N 3.12Å |
| 109 | V | 55.7 | Low | 70.9 | Confident | 53 Ų | 53 | 105.7 Ų | 105.7 | 32% | 0.321 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -79.1 | -8.1 | -170 | -166.6 | 0 | 0 | 0 | 0 | 113 | D107 | D107-V109 VanDerWaalsContact C-N 3.27Å; D107-V109 PolarHBondContact O-N 2.94Å |
| 110 | Q | 53.4 | Low | 71 | Confident | 165 Ų | 165 | 104.8 Ų | 104.8 | 77% | 0.771 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -85.2 | -28 | -174.9 | -74.2 | -172.7 | -1.8 | 0 | 0 | 115.1 | I108 | I108-Q110 VanDerWaalsContact C-N 3.29Å; I108-Q110 PolarHBondContact O-N 3.12Å |
| 111 | D | 49.7 | Very low | 71.1 | Confident | 160 Ų | 160 | 102.8 Ų | 102.8 | 86% | 0.856 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -13.7 | -163.7 | -104.6 | -18.4 | 0 | 0 | 0 | 116.8 | ||
| 112 | E | 49.4 | Very low | 71.2 | Confident | 135 Ų | 135 | 101.1 Ų | 101.1 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -112.3 | 147.1 | -175.7 | -87.3 | -100.2 | 145.8 | 0 | 0 | 112.9 | R114 | E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 3.04Å |
| 113 | P | 51.9 | Low | 71.6 | Confident | 113 Ų | 113 | 102.8 Ų | 102.8 | 73% | 0.734 | 53% | 0.532 | S | S | * | . | trans | -69.2 | 78 | -178.6 | 28.8 | -34.7 | 0 | 0 | 0 | 112.3 | R115 | P113-R115 PolarHBondContact O-N 2.86Š| ||
| 114 | R | 64 | Low | 72 | Confident | 218 Ų | 218 | 102.7 Ų | 102.7 | 82% | 0.823 | 52% | 0.517 | S | S | * | . | trans | 26.9 | 49.4 | 165.8 | -63.4 | -178.8 | -179.4 | 153.4 | 0.5 | 115.2 | E112 K134 | E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 3.04Å; R114-K134 PolarHBondContact O-NZ 3.16Å; R114-K134 VanDerWaalsContact O-NZ 3.1Å | ||
| 115 | R | 72.6 | Confident | 72.6 | Confident | 206 Ų | 206 | 107.6 Ų | 107.6 | 78% | 0.777 | 53% | 0.533 | S | S | * | . | trans | -66.4 | 140.2 | -177.9 | -164.3 | 173.5 | -178.4 | -178.9 | -0.6 | 108.4 | P113 | P113-R115 PolarHBondContact O-N 2.86Š| ||
| 116 | A | 84.6 | Confident | 73.5 | Confident | 23 Ų | 23 | 106.9 Ų | 106.9 | 19% | 0.19 | 53% | 0.529 | C | S | . | . | trans | -68.5 | 135.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | K118 S119 D132 L133 K134 | A116-K118 VanDerWaalsContact C-N 3.29Å; A116-S119 WeakPolarHBondContact CB-OG 3.15Å; A116-D132 HydrophobicContact CB-CB 3.94Å; A116-L133 CarbonylContact C-O 3.49Å; A116-L133 WeakPolarHBondContact CA-O 3.49Å; A116-K134 HydrophobicContact CB-CG 4.34Å | ||
| 117 | L | 88.5 | Confident | 74.7 | Confident | 71 Ų | 71 | 106.6 Ų | 106.6 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -64.4 | -39.5 | 173 | -61.4 | 175.7 | 0 | 0 | 0 | 110.4 | L101 L133 E135 R140 | L101-L117 HydrophobicContact CD1-CD1 3.84Å; L117-L133 HydrophobicContact CB-CD2 4.42Å; L117-L133 HydrophobicContact CB-CG 4.41Å; L117-L133 HydrophobicContact CD1-CG 4.43Å; L117-L133 PolarHBondContact N-O 2.8Å; L117-E135 HydrophobicContact CD1-CB 4.1Å; L117-R140 HydrophobicContact CD1-CG 4.23Å |
| 118 | K | 92.5 | Very high | 76.2 | Confident | 46 Ų | 46 | 102 Ų | 102 | 20% | 0.2 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 139.6 | 171.1 | -178.4 | 171.8 | 174 | 170.2 | 0 | 108.5 | D93 F94 H97 A116 L133 | D93-K118 PolarHBondContact O-NZ 3.07Å; F94-K118 HydrophobicContact CD1-CB 4.18Å; F94-K118 HydrophobicContact CD1-CD 3.85Å; F94-K118 HydrophobicContact CD1-CG 4.04Å; F94-K118 HydrophobicContact CE1-CB 3.8Å; F94-K118 HydrophobicContact CE1-CD 3.89Å; F94-K118 HydrophobicContact CE1-CG 3.58Å; F94-K118 HydrophobicContact CZ-CG 4.38Å; H97-K118 HydrophobicContact CB-CD 3.83Å; A116-K118 VanDerWaalsContact C-N 3.29Å; K118-L133 HydrophobicContact CB-CB 4.32Å; K118-L133 PolarHBondContact O-N 2.81Å |
| 119 | S | 94.5 | Very high | 77.9 | Confident | 64 Ų | 64 | 96.8 Ų | 96.8 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 131.9 | 176.1 | -78.8 | 0 | 0 | 0 | 0 | 109.8 | A116 M131 D132 | A116-S119 WeakPolarHBondContact CB-OG 3.15Å; S119-M131 CarbonylContact C-O 3.51Å; S119-M131 VanDerWaalsContact CA-O 3.3Å; S119-M131 WeakPolarHBondContact CA-O 3.14Å; S119-D132 PolarHBondContact OG-OD1 3.2Å |
| 120 | E | 95.5 | Very high | 79.8 | Confident | 64 Ų | 64 | 97.2 Ų | 97.2 | 30% | 0.299 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 159.3 | 171.9 | -67.4 | -60.6 | 162 | 0 | 0 | 109.6 | Y90 F94 M131 | Y90-E120 HydrophobicContact CD1-CB 4.06Å; Y90-E120 HydrophobicContact CD1-CG 3.97Å; Y90-E120 HydrophobicContact CE1-CB 4.16Å; Y90-E120 HydrophobicContact CE1-CG 4.18Å; F94-E120 HydrophobicContact CE2-CB 4.07Å; F94-E120 HydrophobicContact CE2-CG 4.03Å; F94-E120 HydrophobicContact CZ-CB 3.86Å; F94-E120 HydrophobicContact CZ-CG 3.75Å; E120-M131 HydrophobicContact CB-CB 4.47Å; E120-M131 HydrophobicContact CB-CE 3.97Å; E120-M131 PolarHBondContact N-O 2.64Å; E120-M131 PolarHBondContact O-N 3.15Å |
| 121 | F | 92.5 | Very high | 81.8 | Confident | 114 Ų | 114 | 89.4 Ų | 89.4 | 50% | 0.5 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 148 | 171.4 | 70.9 | -89.2 | 0 | 0 | 0 | 112.4 | V123 K128 Y129 Y130 | F121-V123 HydrophobicContact CD2-CG2 3.95Å; F121-V123 HydrophobicContact CE2-CG2 4.1Å; F121-K128 HydrophobicContact CD2-CD 4.49Å; F121-K128 VanDerWaalsContact CD2-CE 3.45Å; F121-Y129 CarbonylContact C-O 3.53Å; F121-Y129 WeakPolarHBondContact CA-O 3.02Å; F121-Y129 WeakPolarHBondContact CB-O 3.45Å; F121-Y130 HydrophobicContact CB-CD1 4.27Å |
| 122 | L | 88.8 | Confident | 84 | Confident | 10 Ų | 10 | 82.7 Ų | 82.7 | 5% | 0.052 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.9 | 176.4 | 172 | 61.4 | 0 | 0 | 0 | 109.3 | V83 E86 Y90 K128 Y129 M131 | V83-L122 HydrophobicContact CB-CD2 4.3Å; V83-L122 HydrophobicContact CG1-CD2 3.74Å; V83-L122 HydrophobicContact CG2-CD2 4.23Å; E86-L122 HydrophobicContact CB-CD2 3.95Å; E86-L122 WeakPolarHBondContact OE2-CD1 3.29Å; Y90-L122 HydrophobicContact CE2-CB 4.38Å; L122-K128 CarbonylContact O-C 3.51Å; L122-K128 WeakPolarHBondContact O-CA 3.49Å; L122-Y129 HydrophobicContact CG-CD2 4.48Å; L122-Y129 PolarHBondContact N-O 2.87Å; L122-Y129 PolarHBondContact O-N 3.19Å; L122-M131 HydrophobicContact CB-CE 4.38Å |
| 123 | V | 87.1 | Confident | 86.2 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.9 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | F121 R127 K128 | F121-V123 HydrophobicContact CD2-CG2 3.95Å; F121-V123 HydrophobicContact CE2-CG2 4.1Å; V123-R127 WeakPolarHBondContact CA-O 3.2Å; V123-K128 HydrophobicContact CG2-CB 4.42Å; V123-K128 HydrophobicContact CG2-CD 3.94Å; V123-K128 HydrophobicContact CG2-CG 3.96Å |
| 124 | R | 82.9 | Confident | 88.2 | Confident | 118 Ų | 118 | 72.4 Ų | 72.4 | 45% | 0.445 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 124.5 | 173.1 | -166.4 | 72.7 | -175.3 | 177.4 | -0.9 | 109.4 | V83 N126 R127 | V83-R124 HydrophobicContact CG2-CB 3.7Å; V83-R124 HydrophobicContact CG2-CG 3.77Å; R124-N126 PolarHBondContact O-N 2.91Å; R124-R127 PolarHBondContact N-O 3.05Å; R124-R127 WeakPolarHBondContact O-CB 3.4Å; R124-R127 PolarHBondContact O-N 2.89Å; R124-R127 VanDerWaalsContact O-O 3.14Å |
| 125 | E | 81.4 | Confident | 89.4 | Confident | 168 Ų | 168 | 64.1 Ų | 64.1 | 79% | 0.785 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | -119.3 | -175.7 | -58.5 | 172.6 | -179.8 | 0 | 0 | 111.3 | ||
| 126 | N | 81.1 | Confident | 89.9 | Confident | 80 Ų | 80 | 57.1 Ų | 57.1 | 43% | 0.428 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 18.4 | 176.3 | 69.3 | -22.2 | 0 | 0 | 0 | 113.3 | R124 V148 N149 | R124-N126 PolarHBondContact O-N 2.91Å; N126-V148 WeakPolarHBondContact O-CA 3.03Å; N126-N149 PolarHBondContact O-N 3.3Å |
| 127 | R | 86.7 | Confident | 89.9 | Confident | 86 Ų | 86 | 64.5 Ų | 64.5 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.6 | -179.3 | -57.3 | -174.8 | 179.7 | -156 | 4.3 | 110.5 | V123 R124 Y129 Q146 T147 V148 | V123-R127 WeakPolarHBondContact CA-O 3.2Å; R124-R127 PolarHBondContact N-O 3.05Å; R124-R127 WeakPolarHBondContact O-CB 3.4Å; R124-R127 PolarHBondContact O-N 2.89Å; R124-R127 VanDerWaalsContact O-O 3.14Å; R127-Y129 HydrophobicContact CB-CE2 3.83Å; R127-Y129 WeakPolarHBondContact CD-OH 3.46Å; R127-Q146 VanDerWaalsContact NH1-NE2 3.18Å; R127-T147 WeakPolarHBondContact CA-O 3.31Å; R127-V148 HydrophobicContact CG-CG2 4.41Å |
| 128 | K | 90.6 | Very high | 89.6 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.8 | 172.5 | -173.7 | 164.1 | 177.7 | -168 | 0 | 109.6 | F121 L122 V123 Y130 Q146 T147 | F121-K128 HydrophobicContact CD2-CD 4.49Å; F121-K128 VanDerWaalsContact CD2-CE 3.45Å; L122-K128 CarbonylContact O-C 3.51Å; L122-K128 WeakPolarHBondContact O-CA 3.49Å; V123-K128 HydrophobicContact CG2-CB 4.42Å; V123-K128 HydrophobicContact CG2-CD 3.94Å; V123-K128 HydrophobicContact CG2-CG 3.96Å; K128-Y130 HydrophobicContact CB-CE2 4.21Å; K128-Y130 HydrophobicContact CD-CE1 4.01Å; K128-Y130 HydrophobicContact CD-CE2 3.93Å; K128-Y130 VanDerWaalsContact CD-CZ 3.48Å; K128-Y130 VanDerWaalsContact CD-OH 3.26Å; K128-Y130 WeakPolarHBondContact CD-OH 3.47Å; K128-Y130 WeakPolarHBondContact CE-OH 3.34Å; K128-Y130 HydrophobicContact CG-CD2 4.24Å; K128-Y130 HydrophobicContact CG-CE1 4.33Å; K128-Y130 HydrophobicContact CG-CE2 3.73Å; K128-Y130 PolarHBondContact NZ-OH 3.2Å; K128-Q146 WeakPolarHBondContact O-CA 3.29Å; K128-T147 PolarHBondContact N-O 3.08Å; K128-T147 PolarHBondContact O-N 2.82Å; K128-T147 PolarHBondContact O-OG1 2.93Å |
| 129 | Y | 93.6 | Very high | 89.4 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 4% | 0.039 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 116.4 | 178.8 | -59.9 | -91.3 | 0 | 0 | 0 | 107.7 | L77 T78 L79 V83 F121 L122 R127 R145 Q146 | L77-Y129 HydrophobicContact CD1-CD1 4.3Å; L77-Y129 HydrophobicContact CD1-CE1 4.08Å; T78-Y129 PolarHBondContact O-OH 2.82Å; L79-Y129 HydrophobicContact CD2-CD1 3.85Å; L79-Y129 HydrophobicContact CD2-CE1 3.26Å; V83-Y129 HydrophobicContact CG1-CD2 4.26Å; V83-Y129 HydrophobicContact CG1-CE2 3.97Å; V83-Y129 HydrophobicContact CG2-CE2 4.29Å; F121-Y129 CarbonylContact C-O 3.53Å; F121-Y129 WeakPolarHBondContact CA-O 3.02Å; F121-Y129 WeakPolarHBondContact CB-O 3.45Å; L122-Y129 HydrophobicContact CG-CD2 4.48Å; L122-Y129 PolarHBondContact N-O 2.87Å; L122-Y129 PolarHBondContact O-N 3.19Å; R127-Y129 HydrophobicContact CB-CE2 3.83Å; R127-Y129 WeakPolarHBondContact CD-OH 3.46Å; Y129-R145 CarbonylContact C-O 3.47Å; Y129-R145 WeakPolarHBondContact CA-O 3.46Å; Y129-Q146 HydrophobicContact CD1-CB 3.79Å; Y129-Q146 HydrophobicContact CD1-CG 3.88Å; Y129-Q146 HydrophobicContact CE1-CB 3.76Å; Y129-Q146 HydrophobicContact CE1-CG 3.47Å; Y129-Q146 VanDerWaalsContact CE1-CG 3.47Å; Y129-Q146 VanDerWaalsContact CE1-OE1 3.23Å; Y129-Q146 PolarHBondContact OH-OE1 3.43Å |
| 130 | Y | 94.6 | Very high | 89.3 | Confident | 62 Ų | 62 | 65.8 Ų | 65.8 | 24% | 0.243 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131 | 174.7 | -62.8 | -90.2 | 0 | 0 | 0 | 108.9 | F121 K128 I144 R145 T147 | F121-Y130 HydrophobicContact CB-CD1 4.27Å; K128-Y130 HydrophobicContact CB-CE2 4.21Å; K128-Y130 HydrophobicContact CD-CE1 4.01Å; K128-Y130 HydrophobicContact CD-CE2 3.93Å; K128-Y130 VanDerWaalsContact CD-CZ 3.48Å; K128-Y130 VanDerWaalsContact CD-OH 3.26Å; K128-Y130 WeakPolarHBondContact CD-OH 3.47Å; K128-Y130 WeakPolarHBondContact CE-OH 3.34Å; K128-Y130 HydrophobicContact CG-CD2 4.24Å; K128-Y130 HydrophobicContact CG-CE1 4.33Å; K128-Y130 HydrophobicContact CG-CE2 3.73Å; K128-Y130 PolarHBondContact NZ-OH 3.2Å; Y130-I144 CarbonylContact O-C 3.58Å; Y130-I144 VanDerWaalsContact O-CA 3.3Å; Y130-I144 WeakPolarHBondContact O-CA 3.41Å; Y130-R145 PolarHBondContact N-O 3.16Å; Y130-R145 PolarHBondContact O-N 3.37Å; Y130-T147 HydrophobicContact CD2-CG2 4.33Å; Y130-T147 HydrophobicContact CE2-CG2 4.04Å; Y130-T147 WeakPolarHBondContact CE2-OG1 3.33Å |
| 131 | M | 95.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 107.8 | -178.9 | -65.3 | 172.8 | -75.1 | 0 | 0 | 108.3 | F87 Y90 F94 S119 E120 L122 L142 R143 I144 | F87-M131 HydrophobicContact CD2-SD 3.6Å; F87-M131 HydrophobicContact CE2-SD 3.84Å; Y90-M131 HydrophobicContact CD1-CE 4.33Å; Y90-M131 HydrophobicContact CD2-CE 3.63Å; Y90-M131 HydrophobicContact CD2-SD 4.48Å; Y90-M131 HydrophobicContact CE2-CE 4.11Å; Y90-M131 HydrophobicContact CG-CE 3.77Å; Y90-M131 HydrophobicContact CG-SD 4.45Å; F94-M131 HydrophobicContact CE2-CB 3.76Å; F94-M131 HydrophobicContact CE2-SD 4.38Å; F94-M131 HydrophobicContact CZ-CB 3.84Å; F94-M131 WeakPolarHBondContact CZ-O 3.33Å; S119-M131 CarbonylContact C-O 3.51Å; S119-M131 VanDerWaalsContact CA-O 3.3Å; S119-M131 WeakPolarHBondContact CA-O 3.14Å; E120-M131 HydrophobicContact CB-CB 4.47Å; E120-M131 HydrophobicContact CB-CE 3.97Å; E120-M131 PolarHBondContact N-O 2.64Å; E120-M131 PolarHBondContact O-N 3.15Å; L122-M131 HydrophobicContact CB-CE 4.38Å; M131-L142 HydrophobicContact CB-CD1 4.31Å; M131-R143 WeakPolarHBondContact CA-O 3.43Å; M131-I144 HydrophobicContact CG-CG1 3.97Å; M131-I144 HydrophobicContact CG-CG2 4.18Å |
| 132 | D | 95.3 | Very high | 89.4 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 113.5 | -177.5 | -57.4 | -45.9 | 0 | 0 | 0 | 110.2 | A116 S119 K134 R143 | A116-D132 HydrophobicContact CB-CB 3.94Å; S119-D132 PolarHBondContact OG-OD1 3.2Å; D132-K134 HydrophobicContact CB-CD 4.22Å; D132-K134 HydrophobicContact CB-CG 4.08Å; D132-K134 PolarHBondContact O-N 2.7Å; D132-R143 PolarHBondContact N-O 3.27Å; D132-R143 PolarHBondContact O-N 2.92Å; D132-R143 IonicContact OD2-CZ 2.81Å; D132-R143 IonicContact OD2-NE 3.99Å; D132-R143 IonicContact OD2-NH2 3.96Å; D132-R143 PolarHBondContact OD2-NH2 3.2Å |
| 133 | L | 95.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 120.9 | 166.7 | -176 | 66 | 0 | 0 | 0 | 108.5 | F94 L101 A116 L117 K118 L142 A166 | F94-L133 HydrophobicContact CD1-CB 3.86Å; F94-L133 HydrophobicContact CD1-CD2 4.44Å; F94-L133 HydrophobicContact CE1-CB 3.91Å; L101-L133 HydrophobicContact CD1-CD2 4.17Å; A116-L133 CarbonylContact C-O 3.49Å; A116-L133 WeakPolarHBondContact CA-O 3.49Å; L117-L133 HydrophobicContact CB-CD2 4.42Å; L117-L133 HydrophobicContact CB-CG 4.41Å; L117-L133 HydrophobicContact CD1-CG 4.43Å; L117-L133 PolarHBondContact N-O 2.8Å; K118-L133 HydrophobicContact CB-CB 4.32Å; K118-L133 PolarHBondContact O-N 2.81Å; L133-L142 HydrophobicContact CB-CD1 4.22Å; L133-L142 HydrophobicContact CD1-CB 4.43Å; L133-A166 HydrophobicContact CD1-CB 4.37Å |
| 134 | K | 93.3 | Very high | 90 | Very high | 32 Ų | 32 | 59 Ų | 59 | 14% | 0.139 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 157.5 | -174.2 | -67.9 | -177.1 | 174.7 | -111.5 | 0 | 111.1 | R114 A116 D132 R140 F141 R143 | R114-K134 PolarHBondContact O-NZ 3.16Å; R114-K134 VanDerWaalsContact O-NZ 3.1Å; A116-K134 HydrophobicContact CB-CG 4.34Å; D132-K134 HydrophobicContact CB-CD 4.22Å; D132-K134 HydrophobicContact CB-CG 4.08Å; D132-K134 PolarHBondContact O-N 2.7Å; K134-R140 CarbonylContact O-C 3.55Å; K134-R140 WeakPolarHBondContact O-CA 3.09Å; K134-F141 HydrophobicContact CB-CD1 4.33Å; K134-F141 HydrophobicContact CB-CE1 3.75Å; K134-F141 HydrophobicContact CB-CE2 4.25Å; K134-F141 HydrophobicContact CB-CZ 3.72Å; K134-F141 HydrophobicContact CD-CZ 4.2Å; K134-F141 PolarHBondContact N-O 3.38Å; K134-F141 PolarHBondContact O-N 3.27Å; K134-R143 VanDerWaalsContact CE-NH2 3.31Å |
| 135 | E | 89.3 | Confident | 90.5 | Very high | 44 Ų | 44 | 57.5 Ų | 57.5 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138 | 173.9 | -168.3 | 160.3 | 169.9 | 0 | 0 | 110.2 | S104 L117 R140 | S104-E135 VanDerWaalsContact CA-OE1 3.32Å; S104-E135 WeakPolarHBondContact CA-OE1 3.31Å; S104-E135 VanDerWaalsContact CB-OE1 3.26Å; S104-E135 WeakPolarHBondContact CB-OE1 3.47Å; L117-E135 HydrophobicContact CD1-CB 4.1Å; E135-R140 HydrophobicContact CB-CG 4.01Å; E135-R140 HydrophobicContact CG-CG 3.83Å; E135-R140 IonicContact OE1-NE 2.66Å; E135-R140 IonicContact OE1-NH2 3.33Å; E135-R140 IonicContact OE2-CZ 3.94Å; E135-R140 IonicContact OE2-NE 2.67Å; E135-R140 PolarHBondContact OE2-NE 3.32Å; E135-R140 IonicContact OE2-NH2 2.86Å; E135-R140 PolarHBondContact OE2-NH2 2.91Å |
| 136 | N | 84.6 | Confident | 91 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 32% | 0.316 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 179.7 | 171.5 | 67.8 | 23.7 | 0 | 0 | 0 | 110.1 | R138 G139 F141 | N136-R138 PolarHBondContact O-N 3.49Å; N136-R138 VanDerWaalsContact OD1-CA 3.3Å; N136-R138 WeakPolarHBondContact OD1-CA 3.43Å; N136-R138 VanDerWaalsContact OD1-CB 3.32Å; N136-R138 WeakPolarHBondContact OD1-CB 3.08Å; N136-R138 PolarHBondContact OD1-N 3.34Å; N136-G139 PolarHBondContact N-O 3.22Å; N136-G139 PolarHBondContact O-N 2.97Å; N136-G139 PolarHBondContact OD1-N 3.17Å; N136-G139 VanDerWaalsContact OD1-N 3.1Å; N136-G139 PolarHBondContact OD1-O 3.06Å; N136-F141 HydrophobicContact CB-CE1 4.05Å; N136-F141 WeakPolarHBondContact ND2-CE1 3.31Å |
| 137 | Q | 83.4 | Confident | 91.3 | Very high | 178 Ų | 178 | 47.4 Ų | 47.4 | 83% | 0.832 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.2 | 178.3 | -66 | 176.9 | 2.2 | 0 | 0 | 114.1 | ||
| 138 | R | 82.9 | Confident | 90.9 | Very high | 175 Ų | 175 | 45.9 Ų | 45.9 | 66% | 0.66 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -4 | 177.6 | -61.3 | 175.2 | 58.2 | -170 | -2.2 | 112.7 | N136 | N136-R138 PolarHBondContact O-N 3.49Å; N136-R138 VanDerWaalsContact OD1-CA 3.3Å; N136-R138 WeakPolarHBondContact OD1-CA 3.43Å; N136-R138 VanDerWaalsContact OD1-CB 3.32Å; N136-R138 WeakPolarHBondContact OD1-CB 3.08Å; N136-R138 PolarHBondContact OD1-N 3.34Å |
| 139 | G | 88 | Confident | 89.7 | Confident | 14 Ų | 14 | 49 Ų | 49 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.8 | -164.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N136 | N136-G139 PolarHBondContact N-O 3.22Å; N136-G139 PolarHBondContact O-N 2.97Å; N136-G139 PolarHBondContact OD1-N 3.17Å; N136-G139 VanDerWaalsContact OD1-N 3.1Å; N136-G139 PolarHBondContact OD1-O 3.06Å |
| 140 | R | 92.1 | Very high | 88.2 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 8% | 0.075 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 143 | -178.4 | -61.2 | -175.7 | -171.8 | 133.6 | 2.8 | 111.7 | Y98 G102 L117 K134 E135 A166 | Y98-R140 HydrophobicContact CE2-CB 4.14Å; Y98-R140 HydrophobicContact CE2-CG 4.48Å; G102-R140 PolarHBondContact O-NH1 3.26Å; G102-R140 PolarHBondContact O-NH2 3.24Å; L117-R140 HydrophobicContact CD1-CG 4.23Å; K134-R140 CarbonylContact O-C 3.55Å; K134-R140 WeakPolarHBondContact O-CA 3.09Å; E135-R140 HydrophobicContact CB-CG 4.01Å; E135-R140 HydrophobicContact CG-CG 3.83Å; E135-R140 IonicContact OE1-NE 2.66Å; E135-R140 IonicContact OE1-NH2 3.33Å; E135-R140 IonicContact OE2-CZ 3.94Å; E135-R140 IonicContact OE2-NE 2.67Å; E135-R140 PolarHBondContact OE2-NE 3.32Å; E135-R140 IonicContact OE2-NH2 2.86Å; E135-R140 PolarHBondContact OE2-NH2 2.91Å; R140-A166 HydrophobicContact CB-CB 3.81Å; R140-A166 WeakPolarHBondContact O-CB 3.45Å; R140-A166 PolarHBondContact O-N 3.42Å |
| 141 | F | 94.3 | Very high | 86.1 | Confident | 42 Ų | 42 | 55 Ų | 55 | 18% | 0.184 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 143.8 | 179.5 | 67.9 | -78.8 | 0 | 0 | 0 | 111.3 | K134 N136 R143 A163 L164 | K134-F141 HydrophobicContact CB-CD1 4.33Å; K134-F141 HydrophobicContact CB-CE1 3.75Å; K134-F141 HydrophobicContact CB-CE2 4.25Å; K134-F141 HydrophobicContact CB-CZ 3.72Å; K134-F141 HydrophobicContact CD-CZ 4.2Å; K134-F141 PolarHBondContact N-O 3.38Å; K134-F141 PolarHBondContact O-N 3.27Å; N136-F141 HydrophobicContact CB-CE1 4.05Å; N136-F141 WeakPolarHBondContact ND2-CE1 3.31Å; F141-R143 HydrophobicContact CD2-CB 4.29Å; F141-R143 HydrophobicContact CE2-CB 4.02Å; F141-A163 HydrophobicContact CD2-CB 4.03Å; F141-L164 CarbonylContact C-O 3.58Å; F141-L164 WeakPolarHBondContact CA-O 3.48Å; F141-L164 WeakPolarHBondContact CB-O 3.18Å |
| 142 | L | 95.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.4 | 171.8 | -176.1 | 64.3 | 0 | 0 | 0 | 109.3 | L91 F94 M131 L133 I144 A163 L164 L169 | L91-L142 HydrophobicContact CD2-CD2 3.58Å; F94-L142 HydrophobicContact CD1-CD1 3.92Å; F94-L142 HydrophobicContact CD2-CD1 4.02Å; F94-L142 HydrophobicContact CD2-CD2 4.05Å; F94-L142 HydrophobicContact CE1-CD1 3.78Å; F94-L142 HydrophobicContact CE2-CD1 3.93Å; F94-L142 HydrophobicContact CE2-CD2 4.48Å; F94-L142 HydrophobicContact CG-CD1 4.05Å; F94-L142 HydrophobicContact CG-CD2 4.36Å; F94-L142 HydrophobicContact CZ-CD1 3.81Å; M131-L142 HydrophobicContact CB-CD1 4.31Å; L133-L142 HydrophobicContact CB-CD1 4.22Å; L133-L142 HydrophobicContact CD1-CB 4.43Å; L142-I144 HydrophobicContact CD2-CD1 4.07Å; L142-I144 HydrophobicContact CD2-CG1 4.42Å; L142-I144 HydrophobicContact CG-CD1 3.99Å; L142-I144 HydrophobicContact CG-CG1 4.3Å; L142-A163 CarbonylContact O-C 3.54Å; L142-A163 WeakPolarHBondContact O-CA 3.18Å; L142-L164 PolarHBondContact N-O 3.32Å; L142-L164 PolarHBondContact O-N 2.89Å; L142-L169 HydrophobicContact CB-CD2 3.94Å; L142-L169 HydrophobicContact CD2-CD2 3.85Å |
| 143 | R | 94.8 | Very high | 81.6 | Confident | 80 Ų | 80 | 65 Ų | 65 | 30% | 0.302 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 116.5 | 175.8 | -173.2 | 179.1 | 66.7 | 171.6 | 5.4 | 109.6 | M131 D132 K134 F141 T161 | M131-R143 WeakPolarHBondContact CA-O 3.43Å; D132-R143 PolarHBondContact N-O 3.27Å; D132-R143 PolarHBondContact O-N 2.92Å; D132-R143 IonicContact OD2-CZ 2.81Å; D132-R143 IonicContact OD2-NE 3.99Å; D132-R143 IonicContact OD2-NH2 3.96Å; D132-R143 PolarHBondContact OD2-NH2 3.2Å; K134-R143 VanDerWaalsContact CE-NH2 3.31Å; F141-R143 HydrophobicContact CD2-CB 4.29Å; F141-R143 HydrophobicContact CE2-CB 4.02Å; R143-T161 HydrophobicContact CG-CG2 3.78Å |
| 144 | I | 95 | Very high | 79.5 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.015 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.1 | 174.7 | -55.8 | 100.8 | 0 | 0 | 0 | 109.2 | L77 F87 Y130 M131 L142 T161 I162 L164 | L77-I144 HydrophobicContact CD2-CB 4.33Å; L77-I144 HydrophobicContact CD2-CG2 3.66Å; F87-I144 HydrophobicContact CE2-CD1 4.19Å; F87-I144 HydrophobicContact CE2-CG1 3.88Å; F87-I144 HydrophobicContact CZ-CD1 3.89Å; F87-I144 HydrophobicContact CZ-CG1 4.01Å; Y130-I144 CarbonylContact O-C 3.58Å; Y130-I144 VanDerWaalsContact O-CA 3.3Å; Y130-I144 WeakPolarHBondContact O-CA 3.41Å; M131-I144 HydrophobicContact CG-CG1 3.97Å; M131-I144 HydrophobicContact CG-CG2 4.18Å; L142-I144 HydrophobicContact CD2-CD1 4.07Å; L142-I144 HydrophobicContact CD2-CG1 4.42Å; L142-I144 HydrophobicContact CG-CD1 3.99Å; L142-I144 HydrophobicContact CG-CG1 4.3Å; I144-T161 CarbonylContact O-C 3.51Å; I144-T161 WeakPolarHBondContact O-CA 3.36Å; I144-T161 WeakPolarHBondContact O-CG2 3.49Å; I144-I162 HydrophobicContact CB-CG1 3.97Å; I144-I162 HydrophobicContact CD1-CD1 4.25Å; I144-I162 HydrophobicContact CD1-CG1 4Å; I144-I162 PolarHBondContact N-O 2.97Å; I144-I162 PolarHBondContact O-N 2.95Å; I144-L164 HydrophobicContact CD1-CD1 3.47Å; I144-L164 VanDerWaalsContact CD1-CD1 3.47Å; I144-L164 HydrophobicContact CD1-CD2 4.42Å; I144-L164 HydrophobicContact CD1-CG 4.44Å |
| 145 | R | 93.1 | Very high | 77.4 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 33% | 0.328 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121 | 179.9 | 176.3 | 177.3 | 58.6 | 130.3 | 2.8 | 110.5 | Y129 Y130 T147 Q160 T161 | Y129-R145 CarbonylContact C-O 3.47Å; Y129-R145 WeakPolarHBondContact CA-O 3.46Å; Y130-R145 PolarHBondContact N-O 3.16Å; Y130-R145 PolarHBondContact O-N 3.37Å; R145-T147 HydrophobicContact CG-CG2 4.32Å; R145-Q160 CarbonylContact C-O 3.58Å; R145-Q160 WeakPolarHBondContact CA-O 3.24Å; R145-T161 HydrophobicContact CB-CG2 4.22Å |
| 146 | Q | 90.9 | Very high | 75.4 | Confident | 9 Ų | 9 | 75.6 Ų | 75.6 | 4% | 0.042 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.9 | 170.7 | -176.8 | -168.5 | -47 | 0 | 0 | 110.4 | L77 T78 R127 K128 Y129 G159 Q160 | L77-Q146 HydrophobicContact CD1-CB 3.57Å; L77-Q146 HydrophobicContact CD1-CG 4.47Å; T78-Q146 PolarHBondContact O-OE1 3.08Å; R127-Q146 VanDerWaalsContact NH1-NE2 3.18Å; K128-Q146 WeakPolarHBondContact O-CA 3.29Å; Y129-Q146 HydrophobicContact CD1-CB 3.79Å; Y129-Q146 HydrophobicContact CD1-CG 3.88Å; Y129-Q146 HydrophobicContact CE1-CB 3.76Å; Y129-Q146 HydrophobicContact CE1-CG 3.47Å; Y129-Q146 VanDerWaalsContact CE1-CG 3.47Å; Y129-Q146 VanDerWaalsContact CE1-OE1 3.23Å; Y129-Q146 PolarHBondContact OH-OE1 3.43Å; Q146-G159 CarbonylContact O-C 3.52Å; Q146-G159 VanDerWaalsContact O-CA 3.24Å; Q146-G159 WeakPolarHBondContact O-CA 3.26Å; Q146-Q160 HydrophobicContact CB-CB 4.31Å; Q146-Q160 PolarHBondContact N-O 3.49Å; Q146-Q160 PolarHBondContact O-N 3.2Å |
| 147 | T | 87.1 | Confident | 73.9 | Confident | 28 Ų | 28 | 75.5 Ų | 75.5 | 17% | 0.172 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 147.1 | 167.3 | 60 | 0 | 0 | 0 | 0 | 109.9 | R127 K128 Y130 R145 | R127-T147 WeakPolarHBondContact CA-O 3.31Å; K128-T147 PolarHBondContact N-O 3.08Å; K128-T147 PolarHBondContact O-N 2.82Å; K128-T147 PolarHBondContact O-OG1 2.93Å; Y130-T147 HydrophobicContact CD2-CG2 4.33Å; Y130-T147 HydrophobicContact CE2-CG2 4.04Å; Y130-T147 WeakPolarHBondContact CE2-OG1 3.33Å; R145-T147 HydrophobicContact CG-CG2 4.32Å |
| 148 | V | 79.6 | Confident | 72.6 | Confident | 53 Ų | 53 | 76.1 Ų | 76.1 | 32% | 0.321 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.2 | 171.6 | -174.8 | 0 | 0 | 0 | 0 | 107.3 | N126 R127 R150 | N126-V148 WeakPolarHBondContact O-CA 3.03Å; R127-V148 HydrophobicContact CG-CG2 4.41Å; V148-R150 VanDerWaalsContact C-N 3.29Å; V148-R150 HydrophobicContact CG1-CG 4.12Å; V148-R150 PolarHBondContact O-N 2.92Å |
| 149 | N | 65 | Low | 71.8 | Confident | 114 Ų | 114 | 69.2 Ų | 69.2 | 61% | 0.61 | 42% | 0.422 | S | S | * | . | trans | -73.2 | 89.5 | 171.5 | -75.4 | 15.9 | 0 | 0 | 0 | 107.7 | N126 | N126-N149 PolarHBondContact O-N 3.3Š| ||
| 150 | R | 61.5 | Low | 71.7 | Confident | 146 Ų | 146 | 71.1 Ų | 71.1 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -90.3 | 131 | 160.9 | -64.9 | -175 | 177 | -177.9 | -2.1 | 106 | V148 L154 | V148-R150 VanDerWaalsContact C-N 3.29Å; V148-R150 HydrophobicContact CG1-CG 4.12Å; V148-R150 PolarHBondContact O-N 2.92Å; R150-L154 HydrophobicContact CB-CB 4.25Å |
| 151 | G | 51.8 | Low | 71.7 | Confident | 52 Ų | 52 | 72.3 Ų | 72.3 | 54% | 0.536 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -55 | 173.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | G153 L154 | G151-G153 PolarHBondContact O-N 3.05Å; G151-G153 VanDerWaalsContact O-N 3.17Å; G151-L154 PolarHBondContact O-N 3.31Å |
| 152 | P | 41.7 | Very low | 71.6 | Confident | 147 Ų | 147 | 70.4 Ų | 70.4 | 96% | 0.955 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 123 | -175.5 | -19.9 | 31.2 | 0 | 0 | 0 | 110.8 | ||
| 153 | G | 53.9 | Low | 71.6 | Confident | 83 Ų | 83 | 71.2 Ų | 71.2 | 86% | 0.856 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110 | -10.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | G151 | G151-G153 PolarHBondContact O-N 3.05Å; G151-G153 VanDerWaalsContact O-N 3.17Å |
| 154 | L | 52.2 | Low | 71.5 | Confident | 119 Ų | 119 | 67.4 Ų | 67.4 | 62% | 0.623 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -104.7 | 103.3 | 169.9 | -127.4 | 71.8 | 0 | 0 | 0 | 108.9 | R150 G151 | R150-L154 HydrophobicContact CB-CB 4.25Å; G151-L154 PolarHBondContact O-N 3.31Å |
| 155 | G | 47.4 | Very low | 71.5 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 67% | 0.67 | 42% | 0.422 | S | S | * | . | trans | -41.9 | 146.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A157 | G155-A157 PolarHBondContact O-N 3.41Š| ||
| 156 | S | 48.4 | Very low | 71.6 | Confident | 114 Ų | 114 | 63.5 Ų | 63.5 | 80% | 0.797 | 41% | 0.407 | S | S | * | . | trans | -50 | 96.4 | 174.1 | 165.6 | 0 | 0 | 0 | 0 | 109.8 | Q158 | S156-Q158 PolarHBondContact O-N 3.39Š| ||
| 157 | A | 52.1 | Low | 71.7 | Confident | 57 Ų | 57 | 68 Ų | 68 | 47% | 0.471 | 43% | 0.428 | S | S | . | . | trans | -54.1 | 120.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | G155 G159 | G155-A157 PolarHBondContact O-N 3.41Å; A157-G159 PolarHBondContact O-N 3.4Å | ||
| 158 | Q | 57.3 | Low | 72.1 | Confident | 190 Ų | 190 | 66.9 Ų | 66.9 | 89% | 0.888 | 42% | 0.422 | S | S | * | . | trans | -37.2 | 107.4 | -179.2 | -69.2 | -105.7 | -25.5 | 0 | 0 | 109.4 | S156 Q160 | S156-Q158 PolarHBondContact O-N 3.39Å; Q158-Q160 PolarHBondContact O-N 3.04Å | ||
| 159 | G | 64.8 | Low | 72.9 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 32% | 0.32 | 41% | 0.407 | S | S | . | . | trans | -59.7 | 134.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q146 A157 T161 | Q146-G159 CarbonylContact O-C 3.52Å; Q146-G159 VanDerWaalsContact O-CA 3.24Å; Q146-G159 WeakPolarHBondContact O-CA 3.26Å; A157-G159 PolarHBondContact O-N 3.4Å; G159-T161 PolarHBondContact O-N 3.22Å; G159-T161 PolarHBondContact O-OG1 2.89Å | ||
| 160 | Q | 86.4 | Confident | 74.4 | Confident | 53 Ų | 53 | 63.1 Ų | 63.1 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 122 | 175.7 | -80.6 | -177.9 | 9.7 | 0 | 0 | 108.8 | R76 L77 R145 Q146 Q158 | R76-Q160 VanDerWaalsContact O-CB 3.26Å; R76-Q160 WeakPolarHBondContact O-CB 3.23Å; R76-Q160 WeakPolarHBondContact O-CG 3.48Å; R76-Q160 PolarHBondContact O-OE1 2.78Å; L77-Q160 HydrophobicContact CD1-CB 4.3Å; R145-Q160 CarbonylContact C-O 3.58Å; R145-Q160 WeakPolarHBondContact CA-O 3.24Å; Q146-Q160 HydrophobicContact CB-CB 4.31Å; Q146-Q160 PolarHBondContact N-O 3.49Å; Q146-Q160 PolarHBondContact O-N 3.2Å; Q158-Q160 PolarHBondContact O-N 3.04Å |
| 161 | T | 91.4 | Very high | 76.1 | Confident | 46 Ų | 46 | 61 Ų | 61 | 28% | 0.282 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 137.2 | -175.4 | -53.7 | 0 | 0 | 0 | 0 | 110.2 | S75 R143 I144 R145 G159 | S75-T161 WeakPolarHBondContact CB-O 3.21Å; R143-T161 HydrophobicContact CG-CG2 3.78Å; I144-T161 CarbonylContact O-C 3.51Å; I144-T161 WeakPolarHBondContact O-CA 3.36Å; I144-T161 WeakPolarHBondContact O-CG2 3.49Å; R145-T161 HydrophobicContact CB-CG2 4.22Å; G159-T161 PolarHBondContact O-N 3.22Å; G159-T161 PolarHBondContact O-OG1 2.89Å |
| 162 | I | 94 | Very high | 78.2 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 157 | 168.8 | 61.4 | 176.9 | 0 | 0 | 0 | 109.5 | I65 E67 L77 I144 L164 | I65-I162 HydrophobicContact CB-CD1 4.38Å; I65-I162 HydrophobicContact CD1-CD1 4.49Å; I65-I162 HydrophobicContact CG2-CD1 3.76Å; E67-I162 HydrophobicContact CB-CB 4.42Å; E67-I162 HydrophobicContact CB-CG2 4.05Å; E67-I162 WeakPolarHBondContact OE2-CA 3.08Å; E67-I162 WeakPolarHBondContact OE2-CB 3.3Å; L77-I162 HydrophobicContact CB-CD1 4.12Å; L77-I162 HydrophobicContact CB-CG1 4.49Å; L77-I162 HydrophobicContact CB-CG2 4.17Å; L77-I162 HydrophobicContact CD2-CD1 3.71Å; L77-I162 HydrophobicContact CD2-CG1 4.09Å; I144-I162 HydrophobicContact CB-CG1 3.97Å; I144-I162 HydrophobicContact CD1-CD1 4.25Å; I144-I162 HydrophobicContact CD1-CG1 4Å; I144-I162 PolarHBondContact N-O 2.97Å; I144-I162 PolarHBondContact O-N 2.95Å; I162-L164 HydrophobicContact CB-CD1 4.27Å; I162-L164 HydrophobicContact CD1-CD1 3.62Å; I162-L164 HydrophobicContact CG1-CD1 3.74Å |
| 163 | A | 94.1 | Very high | 80.9 | Confident | 18 Ų | 18 | 55 Ų | 55 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 105.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | K48 E67 F141 L142 | K48-A163 PolarHBondContact NZ-O 2.98Å; E67-A163 PolarHBondContact OE2-N 3.47Å; F141-A163 HydrophobicContact CD2-CB 4.03Å; L142-A163 CarbonylContact O-C 3.54Å; L142-A163 WeakPolarHBondContact O-CA 3.18Å |
| 164 | L | 94.4 | Very high | 83 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.3 | -178.1 | -74.4 | 66.8 | 0 | 0 | 0 | 109.8 | F50 F141 L142 I144 I162 A166 L169 F172 | F50-L164 HydrophobicContact CE1-CD1 3.82Å; F50-L164 HydrophobicContact CE1-CG 3.9Å; F50-L164 HydrophobicContact CZ-CB 4.47Å; F50-L164 HydrophobicContact CZ-CD1 4.26Å; F50-L164 HydrophobicContact CZ-CG 3.97Å; F141-L164 CarbonylContact C-O 3.58Å; F141-L164 WeakPolarHBondContact CA-O 3.48Å; F141-L164 WeakPolarHBondContact CB-O 3.18Å; L142-L164 PolarHBondContact N-O 3.32Å; L142-L164 PolarHBondContact O-N 2.89Å; I144-L164 HydrophobicContact CD1-CD1 3.47Å; I144-L164 VanDerWaalsContact CD1-CD1 3.47Å; I144-L164 HydrophobicContact CD1-CD2 4.42Å; I144-L164 HydrophobicContact CD1-CG 4.44Å; I162-L164 HydrophobicContact CB-CD1 4.27Å; I162-L164 HydrophobicContact CD1-CD1 3.62Å; I162-L164 HydrophobicContact CG1-CD1 3.74Å; L164-A166 PolarHBondContact O-N 2.92Å; L164-L169 HydrophobicContact CB-CD2 4.21Å; L164-L169 HydrophobicContact CD2-CD2 4.38Å; L164-F172 HydrophobicContact CD2-CB 4.22Å; L164-F172 HydrophobicContact CD2-CD1 3.7Å; L164-F172 HydrophobicContact CD2-CD2 3.57Å; L164-F172 HydrophobicContact CD2-CE1 3.94Å; L164-F172 HydrophobicContact CD2-CE2 3.78Å; L164-F172 HydrophobicContact CD2-CG 3.53Å; L164-F172 HydrophobicContact CD2-CZ 3.97Å; L164-F172 HydrophobicContact CG-CD2 4.33Å; L164-F172 HydrophobicContact CG-CE2 4.39Å |
| 165 | P | 95.3 | Very high | 85.1 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.032 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 136.9 | 170.1 | -21.5 | 33.4 | 0 | 0 | 0 | 111.1 | I45 Q46 K48 Q167 G168 | I45-P165 HydrophobicContact CB-CG 4.46Å; I45-P165 HydrophobicContact CG2-CB 3.73Å; I45-P165 HydrophobicContact CG2-CG 3.71Å; Q46-P165 HydrophobicContact CG-CB 4.22Å; Q46-P165 HydrophobicContact CG-CG 4.36Å; K48-P165 HydrophobicContact CD-CG 4.42Å; P165-Q167 PolarHBondContact O-N 3.44Å; P165-G168 PolarHBondContact O-N 2.9Å; P165-G168 VanDerWaalsContact O-N 3.08Å |
| 166 | A | 94.4 | Very high | 87.4 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -60.4 | -32.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y98 L133 R140 L164 G168 L169 | Y98-A166 HydrophobicContact CD2-CB 3.81Å; Y98-A166 HydrophobicContact CE1-CB 4.3Å; Y98-A166 HydrophobicContact CE2-CB 3.57Å; Y98-A166 HydrophobicContact CG-CB 4.29Å; L133-A166 HydrophobicContact CD1-CB 4.37Å; R140-A166 HydrophobicContact CB-CB 3.81Å; R140-A166 WeakPolarHBondContact O-CB 3.45Å; R140-A166 PolarHBondContact O-N 3.42Å; L164-A166 PolarHBondContact O-N 2.92Å; A166-G168 PolarHBondContact O-N 3.23Å; A166-L169 HydrophobicContact CB-CD1 4.24Å; A166-L169 WeakPolarHBondContact O-CB 3.38Å; A166-L169 VanDerWaalsContact O-CG 3.3Å; A166-L169 WeakPolarHBondContact O-CG 3.43Å; A166-L169 PolarHBondContact O-N 3.18Å |
| 167 | Q | 93.2 | Very high | 89.6 | Confident | 104 Ų | 104 | 41.7 Ų | 41.7 | 49% | 0.486 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -62.3 | -24.3 | 178.9 | -65.5 | 83.9 | -5.2 | 0 | 0 | 113.6 | Q46 P165 | Q46-Q167 VanDerWaalsContact NE2-OE1 3.11Å; P165-Q167 PolarHBondContact O-N 3.44Å |
| 168 | G | 95.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -102.1 | 8.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P165 A166 I170 E171 F172 | P165-G168 PolarHBondContact O-N 2.9Å; P165-G168 VanDerWaalsContact O-N 3.08Å; A166-G168 PolarHBondContact O-N 3.23Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 2.92Å; G168-E171 PolarHBondContact O-N 2.85Å; G168-F172 VanDerWaalsContact O-CB 3.27Å; G168-F172 WeakPolarHBondContact O-CB 3.32Å; G168-F172 PolarHBondContact O-N 2.8Å |
| 169 | L | 96.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.9 | -37.9 | -177.9 | -69 | 174 | 0 | 0 | 0 | 112.3 | L91 I95 L142 L164 A166 R173 | L91-L169 HydrophobicContact CD2-CD2 3.85Å; I95-L169 HydrophobicContact CD1-CB 4.15Å; I95-L169 HydrophobicContact CG1-CB 3.64Å; L142-L169 HydrophobicContact CB-CD2 3.94Å; L142-L169 HydrophobicContact CD2-CD2 3.85Å; L164-L169 HydrophobicContact CB-CD2 4.21Å; L164-L169 HydrophobicContact CD2-CD2 4.38Å; A166-L169 HydrophobicContact CB-CD1 4.24Å; A166-L169 WeakPolarHBondContact O-CB 3.38Å; A166-L169 VanDerWaalsContact O-CG 3.3Å; A166-L169 WeakPolarHBondContact O-CG 3.43Å; A166-L169 PolarHBondContact O-N 3.18Å; L169-R173 VanDerWaalsContact O-CB 3.27Å; L169-R173 WeakPolarHBondContact O-CB 3.26Å; L169-R173 PolarHBondContact O-N 2.83Å |
| 170 | I | 96.4 | Very high | 94.6 | Very high | 88 Ų | 88 | 35.7 Ų | 35.7 | 45% | 0.451 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.6 | -52.9 | 178.7 | -62.3 | 172.2 | 0 | 0 | 0 | 110.2 | I95 G168 F172 R173 D174 | I95-I170 HydrophobicContact CD1-CB 4.49Å; I95-I170 HydrophobicContact CD1-CG1 3.92Å; I95-I170 HydrophobicContact CG1-CG1 4.07Å; I95-I170 HydrophobicContact CG2-CD1 4.16Å; I95-I170 HydrophobicContact CG2-CG1 3.78Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 2.92Å; I170-F172 VanDerWaalsContact C-N 3.28Å; I170-F172 PolarHBondContact O-N 2.89Å; I170-R173 WeakPolarHBondContact O-CB 3.48Å; I170-R173 PolarHBondContact O-N 2.72Å; I170-R173 VanDerWaalsContact O-N 3.15Å; I170-D174 VanDerWaalsContact O-CG 3.23Å; I170-D174 PolarHBondContact O-N 3.35Å |
| 171 | E | 97.1 | Very high | 94.8 | Very high | 101 Ų | 101 | 38 Ų | 38 | 47% | 0.472 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.1 | -40.6 | 179.2 | -168.9 | -173.3 | 170.2 | 0 | 0 | 111.6 | V43 G168 D174 A175 | V43-E171 HydrophobicContact CG1-CB 4.34Å; V43-E171 HydrophobicContact CG1-CG 3.82Å; G168-E171 PolarHBondContact O-N 2.85Å; E171-D174 PolarHBondContact O-N 2.89Å; E171-A175 VanDerWaalsContact O-CB 3.28Å; E171-A175 WeakPolarHBondContact O-CB 3.45Å; E171-A175 PolarHBondContact O-N 2.88Å |
| 172 | F | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 176.4 | -165.2 | -78.4 | 0 | 0 | 0 | 111.9 | I45 F50 L52 I65 F87 L91 L164 G168 I170 L176 | I45-F172 HydrophobicContact CD1-CB 4.33Å; I45-F172 HydrophobicContact CD1-CD2 4.3Å; F50-F172 HydrophobicContact CB-CD2 4.37Å; F50-F172 HydrophobicContact CB-CE2 3.95Å; F50-F172 HydrophobicContact CD1-CE2 4.06Å; F50-F172 HydrophobicContact CG-CD2 4.37Å; F50-F172 HydrophobicContact CG-CE2 4.04Å; L52-F172 HydrophobicContact CD1-CD2 4.3Å; L52-F172 HydrophobicContact CD1-CE2 3.67Å; L52-F172 HydrophobicContact CD1-CZ 4Å; L52-F172 HydrophobicContact CD2-CE1 4.18Å; L52-F172 HydrophobicContact CD2-CE2 4.34Å; L52-F172 HydrophobicContact CD2-CZ 3.97Å; L52-F172 HydrophobicContact CG-CE2 4.27Å; L52-F172 HydrophobicContact CG-CZ 4.08Å; I65-F172 HydrophobicContact CD1-CE1 4.47Å; I65-F172 HydrophobicContact CD1-CZ 4.05Å; I65-F172 HydrophobicContact CG1-CZ 4.39Å; I65-F172 HydrophobicContact CG2-CE2 4.24Å; I65-F172 HydrophobicContact CG2-CZ 3.89Å; F87-F172 AromaticContact CE1-CE1 3.85Å; F87-F172 HydrophobicContact CE1-CE1 3.85Å; F87-F172 HydrophobicContact CZ-CE1 4.44Å; L91-F172 HydrophobicContact CD1-CD1 3.81Å; L91-F172 HydrophobicContact CD1-CE1 4.33Å; L164-F172 HydrophobicContact CD2-CB 4.22Å; L164-F172 HydrophobicContact CD2-CD1 3.7Å; L164-F172 HydrophobicContact CD2-CD2 3.57Å; L164-F172 HydrophobicContact CD2-CE1 3.94Å; L164-F172 HydrophobicContact CD2-CE2 3.78Å; L164-F172 HydrophobicContact CD2-CG 3.53Å; L164-F172 HydrophobicContact CD2-CZ 3.97Å; L164-F172 HydrophobicContact CG-CD2 4.33Å; L164-F172 HydrophobicContact CG-CE2 4.39Å; G168-F172 VanDerWaalsContact O-CB 3.27Å; G168-F172 WeakPolarHBondContact O-CB 3.32Å; G168-F172 PolarHBondContact O-N 2.8Å; I170-F172 VanDerWaalsContact C-N 3.28Å; I170-F172 PolarHBondContact O-N 2.89Å; F172-L176 VanDerWaalsContact O-CB 3.27Å; F172-L176 WeakPolarHBondContact O-CB 3.44Å; F172-L176 PolarHBondContact O-N 2.89Å |
| 173 | R | 97.1 | Very high | 94.4 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 28% | 0.275 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 176.1 | -179.2 | -156 | 65.2 | -172 | -0.8 | 110.9 | R88 L91 I95 L169 I170 L176 A177 | R88-R173 HydrophobicContact CG-CG 4.15Å; L91-R173 HydrophobicContact CB-CB 4.17Å; L91-R173 HydrophobicContact CB-CG 4.21Å; L91-R173 HydrophobicContact CD1-CB 4.24Å; I95-R173 HydrophobicContact CD1-CB 4.07Å; I95-R173 HydrophobicContact CD1-CG 4.47Å; L169-R173 VanDerWaalsContact O-CB 3.27Å; L169-R173 WeakPolarHBondContact O-CB 3.26Å; L169-R173 PolarHBondContact O-N 2.83Å; I170-R173 WeakPolarHBondContact O-CB 3.48Å; I170-R173 PolarHBondContact O-N 2.72Å; I170-R173 VanDerWaalsContact O-N 3.15Å; R173-L176 WeakPolarHBondContact O-CB 3.42Å; R173-L176 PolarHBondContact O-N 2.88Å; R173-A177 WeakPolarHBondContact O-CB 3.47Å; R173-A177 PolarHBondContact O-N 3.45Å |
| 174 | D | 97.4 | Very high | 93.4 | Very high | 76 Ų | 76 | 43.5 Ų | 43.5 | 41% | 0.406 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.1 | -39.8 | -176.8 | -65.3 | -10.5 | 0 | 0 | 0 | 111.3 | I170 E171 L176 A177 K178 | I170-D174 VanDerWaalsContact O-CG 3.23Å; I170-D174 PolarHBondContact O-N 3.35Å; E171-D174 PolarHBondContact O-N 2.89Å; D174-L176 VanDerWaalsContact C-N 3.32Å; D174-L176 PolarHBondContact O-N 3.17Å; D174-A177 PolarHBondContact O-N 3.4Å; D174-K178 WeakPolarHBondContact O-CB 3.35Å; D174-K178 PolarHBondContact O-N 3.32Å |
| 175 | A | 96.8 | Very high | 91.7 | Very high | 10 Ų | 10 | 50 Ų | 50 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K41 V43 L52 E171 L179 | K41-A175 HydrophobicContact CG-CB 4.02Å; V43-A175 HydrophobicContact CG2-CB 3.71Å; L52-A175 HydrophobicContact CD2-CB 4.45Å; E171-A175 VanDerWaalsContact O-CB 3.28Å; E171-A175 WeakPolarHBondContact O-CB 3.45Å; E171-A175 PolarHBondContact O-N 2.88Å; A175-L179 WeakPolarHBondContact O-CG 3.35Å; A175-L179 PolarHBondContact O-N 3.48Å |
| 176 | L | 95.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 177.4 | -179.7 | 60.2 | 0 | 0 | 0 | 111.9 | L52 L63 A84 F87 R88 L91 F172 R173 D174 K178 L179 I180 | L52-L176 HydrophobicContact CD2-CB 4.32Å; L63-L176 HydrophobicContact CD2-CD1 3.3Å; A84-L176 HydrophobicContact CB-CD1 4.29Å; F87-L176 HydrophobicContact CD1-CD2 3.65Å; F87-L176 HydrophobicContact CE1-CD2 4.2Å; F87-L176 HydrophobicContact CG-CD2 4.44Å; R88-L176 HydrophobicContact CB-CD2 3.9Å; R88-L176 HydrophobicContact CB-CG 4.25Å; L91-L176 HydrophobicContact CD1-CD2 4.06Å; F172-L176 VanDerWaalsContact O-CB 3.27Å; F172-L176 WeakPolarHBondContact O-CB 3.44Å; F172-L176 PolarHBondContact O-N 2.89Å; R173-L176 WeakPolarHBondContact O-CB 3.42Å; R173-L176 PolarHBondContact O-N 2.88Å; D174-L176 VanDerWaalsContact C-N 3.32Å; D174-L176 PolarHBondContact O-N 3.17Å; L176-K178 PolarHBondContact O-N 2.94Å; L176-L179 PolarHBondContact O-N 3.43Å; L176-I180 HydrophobicContact CD1-CD1 3.97Å; L176-I180 HydrophobicContact CD1-CG1 4.34Å; L176-I180 HydrophobicContact CD2-CD1 4.49Å; L176-I180 HydrophobicContact CG-CD1 3.75Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.48Å; L176-I180 PolarHBondContact O-N 3.49Å |
| 177 | A | 95.6 | Very high | 87.6 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.4 | -48 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R88 R173 D174 L179 I180 D181 | R88-A177 HydrophobicContact CG-CB 4.09Å; R173-A177 WeakPolarHBondContact O-CB 3.47Å; R173-A177 PolarHBondContact O-N 3.45Å; D174-A177 PolarHBondContact O-N 3.4Å; A177-L179 VanDerWaalsContact C-N 3.34Å; A177-L179 PolarHBondContact O-N 2.78Å; A177-I180 CarbonylContact O-C 3.57Å; A177-I180 WeakPolarHBondContact O-CB 3.47Å; A177-I180 PolarHBondContact O-N 3.24Å; A177-D181 VanDerWaalsContact O-CG 3.23Å; A177-D181 PolarHBondContact O-N 2.95Å |
| 178 | K | 94.3 | Very high | 85.4 | Confident | 132 Ų | 132 | 62.7 Ų | 62.7 | 57% | 0.574 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57.6 | -45 | 176.2 | -176.2 | 173.6 | -178.6 | 174.7 | 0 | 112.6 | D174 L176 I180 D181 D182 | D174-K178 WeakPolarHBondContact O-CB 3.35Å; D174-K178 PolarHBondContact O-N 3.32Å; L176-K178 PolarHBondContact O-N 2.94Å; K178-I180 VanDerWaalsContact C-N 3.27Å; K178-I180 PolarHBondContact O-N 3.46Å; K178-D181 PolarHBondContact O-N 2.88Å; K178-D182 WeakPolarHBondContact CE-OD2 3.49Å; K178-D182 WeakPolarHBondContact O-CB 3.5Å; K178-D182 VanDerWaalsContact O-CG 3.24Å; K178-D182 PolarHBondContact O-N 3Å |
| 179 | L | 93.7 | Very high | 83.3 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.063 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.9 | -32.4 | 177.6 | -70.8 | 173.3 | 0 | 0 | 0 | 112.6 | A39 K41 L52 V54 L63 A175 L176 A177 Y183 | A39-L179 HydrophobicContact CB-CD2 3.85Å; K41-L179 HydrophobicContact CB-CD1 4.04Å; K41-L179 HydrophobicContact CB-CD2 4.46Å; L52-L179 HydrophobicContact CB-CD1 3.65Å; L52-L179 HydrophobicContact CD2-CD1 4.12Å; V54-L179 HydrophobicContact CG2-CB 4.04Å; V54-L179 HydrophobicContact CG2-CD1 4.21Å; V54-L179 HydrophobicContact CG2-CD2 3.98Å; V54-L179 HydrophobicContact CG2-CG 4.3Å; L63-L179 HydrophobicContact CD1-CD1 4.21Å; A175-L179 WeakPolarHBondContact O-CG 3.35Å; A175-L179 PolarHBondContact O-N 3.48Å; L176-L179 PolarHBondContact O-N 3.43Å; A177-L179 VanDerWaalsContact C-N 3.34Å; A177-L179 PolarHBondContact O-N 2.78Å; L179-Y183 HydrophobicContact CD2-CD2 4.34Å; L179-Y183 HydrophobicContact CD2-CE2 4.36Å; L179-Y183 WeakPolarHBondContact O-CB 3.25Å; L179-Y183 WeakPolarHBondContact O-CD2 3.15Å; L179-Y183 PolarHBondContact O-N 3.05Å |
| 180 | I | 91.6 | Very high | 81.3 | Confident | 7 Ų | 7 | 70.4 Ų | 70.4 | 4% | 0.036 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -73.4 | -40.6 | 175.6 | -70.7 | 164.3 | 0 | 0 | 0 | 110.9 | M81 A84 V85 R88 L176 A177 K178 D182 G184 | M81-I180 HydrophobicContact CE-CG1 4.22Å; A84-I180 HydrophobicContact CB-CD1 4.21Å; A84-I180 HydrophobicContact CB-CG1 4.42Å; A84-I180 WeakPolarHBondContact O-CD1 3.35Å; V85-I180 HydrophobicContact CG2-CD1 4.41Å; V85-I180 HydrophobicContact CG2-CG2 3.78Å; R88-I180 HydrophobicContact CB-CD1 3.96Å; R88-I180 HydrophobicContact CG-CD1 4.42Å; L176-I180 HydrophobicContact CD1-CD1 3.97Å; L176-I180 HydrophobicContact CD1-CG1 4.34Å; L176-I180 HydrophobicContact CD2-CD1 4.49Å; L176-I180 HydrophobicContact CG-CD1 3.75Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.48Å; L176-I180 PolarHBondContact O-N 3.49Å; A177-I180 CarbonylContact O-C 3.57Å; A177-I180 WeakPolarHBondContact O-CB 3.47Å; A177-I180 PolarHBondContact O-N 3.24Å; K178-I180 VanDerWaalsContact C-N 3.27Å; K178-I180 PolarHBondContact O-N 3.46Å; I180-D182 VanDerWaalsContact C-N 3.35Å; I180-G184 WeakPolarHBondContact O-CA 3.48Å; I180-G184 PolarHBondContact O-N 3.23Å |
| 181 | D | 90.8 | Very high | 79.4 | Confident | 103 Ų | 103 | 74.5 Ų | 74.5 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | 178.2 | -63.3 | -21.9 | 0 | 0 | 0 | 110.4 | A177 K178 | A177-D181 VanDerWaalsContact O-CG 3.23Å; A177-D181 PolarHBondContact O-N 2.95Å; K178-D181 PolarHBondContact O-N 2.88Å |
| 182 | D | 89.8 | Confident | 78.2 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -75.4 | -34.3 | -179.2 | -67.5 | -19.1 | 0 | 0 | 0 | 112.8 | K178 I180 | K178-D182 WeakPolarHBondContact CE-OD2 3.49Å; K178-D182 WeakPolarHBondContact O-CB 3.5Å; K178-D182 VanDerWaalsContact O-CG 3.24Å; K178-D182 PolarHBondContact O-N 3Å; I180-D182 VanDerWaalsContact C-N 3.35Å |
| 183 | Y | 86.5 | Confident | 77.2 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 28% | 0.282 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -134.3 | -6.4 | -169.2 | -56.5 | -85.8 | 0 | 0 | 0 | 116.1 | L38 A39 V54 R61 L179 | L38-Y183 HydrophobicContact CB-CD1 3.99Å; L38-Y183 HydrophobicContact CB-CE1 3.9Å; L38-Y183 HydrophobicContact CD1-CD1 4.14Å; L38-Y183 PolarHBondContact O-OH 3.35Å; A39-Y183 HydrophobicContact CB-CD2 4.09Å; A39-Y183 HydrophobicContact CB-CE1 4.37Å; A39-Y183 HydrophobicContact CB-CE2 3.43Å; A39-Y183 VanDerWaalsContact CB-CE2 3.43Å; V54-Y183 HydrophobicContact CG1-CG 4.22Å; V54-Y183 HydrophobicContact CG2-CD2 4.47Å; R61-Y183 PolarHBondContact NH1-O 2.96Å; L179-Y183 HydrophobicContact CD2-CD2 4.34Å; L179-Y183 HydrophobicContact CD2-CE2 4.36Å; L179-Y183 WeakPolarHBondContact O-CB 3.25Å; L179-Y183 WeakPolarHBondContact O-CD2 3.15Å; L179-Y183 PolarHBondContact O-N 3.05Å |
| 184 | G | 72.6 | Confident | 76.2 | Confident | 12 Ų | 12 | 81.4 Ų | 81.4 | 12% | 0.124 | 43% | 0.431 | C | S | . | . | trans | -91.6 | -8.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I180 D186 | I180-G184 WeakPolarHBondContact O-CA 3.48Å; I180-G184 PolarHBondContact O-N 3.23Å; G184-D186 PolarHBondContact O-N 2.97Å | ||
| 185 | M | 59.9 | Low | 75.5 | Confident | 137 Ų | 137 | 79.7 Ų | 79.7 | 68% | 0.675 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -67.3 | 111.2 | 158.4 | -62.4 | -71 | 98.1 | 0 | 0 | 106.7 | R61 E187 | R61-M185 PolarHBondContact NH1-O 3.2Å; M185-E187 PolarHBondContact O-N 3.37Å |
| 186 | D | 54.3 | Low | 75.1 | Confident | 139 Ų | 139 | 83.9 Ų | 83.9 | 74% | 0.743 | 46% | 0.455 | S | S | * | . | trans | -43.1 | 129.4 | 167 | -79.1 | -49 | 0 | 0 | 0 | 107.6 | G184 D188 | G184-D186 PolarHBondContact O-N 2.97Å; D186-D188 PolarHBondContact O-N 2.91Å; D186-D188 VanDerWaalsContact O-N 3.07Å | ||
| 187 | E | 48.8 | Very low | 74.9 | Confident | 117 Ų | 117 | 86.8 Ų | 86.8 | 55% | 0.547 | 48% | 0.476 | S | S | . | . | trans | -31.8 | 119.2 | 148.1 | -134.4 | 167.4 | -135.8 | 0 | 0 | 106.6 | Q56 R61 M185 P189 | Q56-E187 PolarHBondContact NE2-OE1 3.23Å; Q56-E187 VanDerWaalsContact NE2-OE1 3.16Å; R61-E187 IonicContact NH2-OE1 2.69Å; M185-E187 PolarHBondContact O-N 3.37Å; E187-P189 VanDerWaalsContact O-N 3.08Å | ||
| 188 | D | 46.3 | Very low | 74.7 | Confident | 121 Ų | 121 | 89.8 Ų | 89.8 | 65% | 0.647 | 49% | 0.489 | S | S | * | . | trans | -35.3 | 125.5 | 170.9 | -102.5 | -49.4 | 0 | 0 | 0 | 107.5 | D186 A190 | D186-D188 PolarHBondContact O-N 2.91Å; D186-D188 VanDerWaalsContact O-N 3.07Å; D188-A190 VanDerWaalsContact C-N 3.28Å; D188-A190 WeakPolarHBondContact O-CA 3.27Å; D188-A190 PolarHBondContact O-N 3.49Å | ||
| 189 | P | 52.3 | Low | 74.6 | Confident | 108 Ų | 108 | 87.8 Ų | 87.8 | 70% | 0.701 | 49% | 0.488 | S | S | * | . | trans | -54.2 | 98.1 | -175.9 | 19.8 | -31.6 | 0 | 0 | 0 | 108.2 | E187 E191 | E187-P189 VanDerWaalsContact O-N 3.08Å; P189-E191 VanDerWaalsContact C-N 3.34Å; P189-E191 WeakPolarHBondContact O-CA 3.27Å; P189-E191 PolarHBondContact O-N 2.86Å | ||
| 190 | A | 54 | Low | 74.5 | Confident | 58 Ų | 58 | 90.7 Ų | 90.7 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -28.7 | 89 | -149.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D188 L192 | D188-A190 VanDerWaalsContact C-N 3.28Å; D188-A190 WeakPolarHBondContact O-CA 3.27Å; D188-A190 PolarHBondContact O-N 3.49Å; A190-L192 HydrophobicContact CB-CD2 4.47Å; A190-L192 WeakPolarHBondContact O-CA 3.33Å; A190-L192 WeakPolarHBondContact O-CD2 3.48Å; A190-L192 WeakPolarHBondContact O-CG 3.35Å; A190-L192 PolarHBondContact O-N 2.94Å |
| 191 | E | 56.7 | Low | 74.4 | Confident | 174 Ų | 174 | 98 Ų | 98 | 81% | 0.813 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -20 | 82.1 | -160.5 | -75.1 | -171.8 | 158.3 | 0 | 0 | 113.4 | P189 | P189-E191 VanDerWaalsContact C-N 3.34Å; P189-E191 WeakPolarHBondContact O-CA 3.27Å; P189-E191 PolarHBondContact O-N 2.86Å |
| 192 | L | 70.5 | Confident | 74.3 | Confident | 53 Ų | 53 | 98.4 Ų | 98.4 | 28% | 0.277 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -87 | 137 | -173.6 | -67.7 | -177.4 | 0 | 0 | 0 | 106.6 | A190 E194 V209 V216 | A190-L192 HydrophobicContact CB-CD2 4.47Å; A190-L192 WeakPolarHBondContact O-CA 3.33Å; A190-L192 WeakPolarHBondContact O-CD2 3.48Å; A190-L192 WeakPolarHBondContact O-CG 3.35Å; A190-L192 PolarHBondContact O-N 2.94Å; L192-E194 PolarHBondContact O-N 2.88Å; L192-V209 HydrophobicContact CB-CG1 4.27Å; L192-V209 HydrophobicContact CD1-CG1 4.33Å; L192-V209 HydrophobicContact CD2-CG1 4.04Å; L192-V209 HydrophobicContact CG-CG1 4.44Å; L192-V216 HydrophobicContact CD2-CG1 3.97Å; L192-V216 HydrophobicContact CD2-CG2 4.09Å |
| 193 | P | 77.4 | Confident | 74.4 | Confident | 83 Ų | 83 | 97.1 Ų | 97.1 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 141.5 | 178.9 | 24 | -33.4 | 0 | 0 | 0 | 110.5 | G195 V209 | P193-G195 PolarHBondContact O-N 3.35Å; P193-V209 HydrophobicContact CG-CB 4.04Å; P193-V209 HydrophobicContact CG-CG1 4.22Å; P193-V209 HydrophobicContact CG-CG2 3.85Å |
| 194 | E | 75.2 | Confident | 74.8 | Confident | 184 Ų | 184 | 99.5 Ų | 99.5 | 86% | 0.86 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 136.9 | 179.2 | -165 | 177.1 | -179.2 | 0 | 0 | 110.5 | L192 T196 | L192-E194 PolarHBondContact O-N 2.88Å; E194-T196 PolarHBondContact O-N 2.82Å |
| 195 | G | 82.8 | Confident | 75.9 | Confident | 39 Ų | 39 | 101.3 Ų | 101.3 | 40% | 0.402 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 137.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P193 F207 | P193-G195 PolarHBondContact O-N 3.35Å; G195-F207 VanDerWaalsContact CA-O 3.23Å; G195-F207 WeakPolarHBondContact CA-O 3.49Å |
| 196 | T | 88 | Confident | 77.6 | Confident | 98 Ų | 98 | 97.7 Ų | 97.7 | 60% | 0.601 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 153.2 | 176.5 | -61.9 | 0 | 0 | 0 | 0 | 110.1 | E194 F207 | E194-T196 PolarHBondContact O-N 2.82Å; T196-F207 PolarHBondContact N-O 2.85Å; T196-F207 VanDerWaalsContact N-O 3.16Å; T196-F207 PolarHBondContact O-N 3.12Å |
| 197 | S | 91.5 | Very high | 79.5 | Confident | 62 Ų | 62 | 94.1 Ų | 94.1 | 43% | 0.434 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 151.5 | 171.4 | 72.3 | 0 | 0 | 0 | 0 | 112.5 | F205 | S197-F205 CarbonylContact C-O 3.6Å; S197-F205 WeakPolarHBondContact CA-O 3.23Å; S197-F205 WeakPolarHBondContact CB-O 3.44Å |
| 198 | L | 92.6 | Very high | 81.6 | Confident | 78 Ų | 78 | 90.5 Ų | 90.5 | 41% | 0.408 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140.4 | 173.8 | 59.4 | 93.8 | 0 | 0 | 0 | 109.7 | V200 R204 F205 F207 | L198-V200 HydrophobicContact CD1-CG2 3.81Å; L198-R204 CarbonylContact O-C 3.54Å; L198-R204 WeakPolarHBondContact O-CA 3.46Å; L198-F205 HydrophobicContact CD1-CB 3.82Å; L198-F205 HydrophobicContact CD1-CD2 3.57Å; L198-F205 HydrophobicContact CD1-CG 4.04Å; L198-F205 HydrophobicContact CG-CB 3.97Å; L198-F205 PolarHBondContact N-O 3.2Å; L198-F205 PolarHBondContact O-N 3.33Å; L198-F207 HydrophobicContact CD2-CD2 4.39Å; L198-F207 HydrophobicContact CD2-CE2 3.4Å; L198-F207 VanDerWaalsContact CD2-CE2 3.4Å; L198-F207 HydrophobicContact CD2-CZ 3.86Å; L198-F207 HydrophobicContact CG-CE2 3.87Å |
| 199 | T | 92.3 | Very high | 83.7 | Confident | 91 Ų | 91 | 86 Ų | 86 | 56% | 0.558 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.4 | 178.4 | -57.4 | 0 | 0 | 0 | 0 | 108.6 | K203 | T199-K203 WeakPolarHBondContact CA-O 3.4Å |
| 200 | V | 91.3 | Very high | 85.3 | Confident | 72 Ų | 72 | 81.7 Ų | 81.7 | 44% | 0.436 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 122 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | L198 N202 K203 | L198-V200 HydrophobicContact CD1-CG2 3.81Å; V200-N202 PolarHBondContact O-N 2.9Å; V200-K203 PolarHBondContact N-O 2.93Å; V200-K203 WeakPolarHBondContact O-CA 3.2Å; V200-K203 WeakPolarHBondContact O-CB 3.3Å; V200-K203 PolarHBondContact O-N 3.45Å; V200-K203 VanDerWaalsContact O-O 3.09Å |
| 201 | D | 88.4 | Confident | 86.6 | Confident | 160 Ų | 160 | 82.2 Ų | 82.2 | 86% | 0.856 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | -124.2 | -172.8 | -52.7 | -42.4 | 0 | 0 | 0 | 112 | K203 | D201-K203 VanDerWaalsContact C-N 3.35Š|
| 202 | N | 89.4 | Confident | 87.4 | Confident | 113 Ų | 113 | 77.6 Ų | 77.6 | 60% | 0.604 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 25.9 | 175.6 | -165.8 | 27.5 | 0 | 0 | 0 | 112.7 | V200 | V200-N202 PolarHBondContact O-N 2.9Š|
| 203 | K | 92.5 | Very high | 87 | Confident | 68 Ų | 68 | 80.5 Ų | 80.5 | 30% | 0.296 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.3 | 178.7 | -59.9 | -177.8 | -177.4 | -153.4 | 0 | 110.6 | T199 V200 D201 F205 E222 V223 K224 | T199-K203 WeakPolarHBondContact CA-O 3.4Å; V200-K203 PolarHBondContact N-O 2.93Å; V200-K203 WeakPolarHBondContact O-CA 3.2Å; V200-K203 WeakPolarHBondContact O-CB 3.3Å; V200-K203 PolarHBondContact O-N 3.45Å; V200-K203 VanDerWaalsContact O-O 3.09Å; D201-K203 VanDerWaalsContact C-N 3.35Å; K203-F205 HydrophobicContact CB-CE2 3.91Å; K203-F205 HydrophobicContact CB-CZ 4.4Å; K203-F205 HydrophobicContact CD-CE2 4.18Å; K203-F205 HydrophobicContact CD-CZ 3.97Å; K203-E222 HydrophobicContact CD-CG 4.25Å; K203-E222 VanDerWaalsContact CD-OE1 3.25Å; K203-E222 WeakPolarHBondContact CD-OE1 3.44Å; K203-E222 WeakPolarHBondContact CE-OE1 3.33Å; K203-E222 IonicContact NZ-OE1 3.66Å; K203-E222 PolarHBondContact NZ-OE1 2.82Å; K203-E222 IonicContact NZ-OE2 3.61Å; K203-V223 WeakPolarHBondContact CA-O 3.44Å; K203-K224 HydrophobicContact CG-CD 4.41Å; K203-K224 HydrophobicContact CG-CG 4.01Å |
| 204 | R | 94.1 | Very high | 86.7 | Confident | 123 Ų | 123 | 85.5 Ų | 85.5 | 46% | 0.464 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.1 | 167.9 | -168.3 | 178 | -67 | 174.3 | 4.7 | 109.6 | L198 F206 V223 | L198-R204 CarbonylContact O-C 3.54Å; L198-R204 WeakPolarHBondContact O-CA 3.46Å; R204-F206 HydrophobicContact CB-CE2 4.12Å; R204-F206 VanDerWaalsContact CD-CE2 3.5Å; R204-F206 HydrophobicContact CG-CD2 4.23Å; R204-F206 HydrophobicContact CG-CE2 3.72Å; R204-F206 HydrophobicContact CG-CZ 3.97Å; R204-V223 PolarHBondContact N-O 3.19Å; R204-V223 PolarHBondContact O-N 2.82Å |
| 205 | F | 96.2 | Very high | 86.8 | Confident | 50 Ų | 50 | 78.6 Ų | 78.6 | 22% | 0.219 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.2 | 174.1 | -62.5 | -92.9 | 0 | 0 | 0 | 109.4 | S197 L198 K203 F207 S221 E222 | S197-F205 CarbonylContact C-O 3.6Å; S197-F205 WeakPolarHBondContact CA-O 3.23Å; S197-F205 WeakPolarHBondContact CB-O 3.44Å; L198-F205 HydrophobicContact CD1-CB 3.82Å; L198-F205 HydrophobicContact CD1-CD2 3.57Å; L198-F205 HydrophobicContact CD1-CG 4.04Å; L198-F205 HydrophobicContact CG-CB 3.97Å; L198-F205 PolarHBondContact N-O 3.2Å; L198-F205 PolarHBondContact O-N 3.33Å; K203-F205 HydrophobicContact CB-CE2 3.91Å; K203-F205 HydrophobicContact CB-CZ 4.4Å; K203-F205 HydrophobicContact CD-CE2 4.18Å; K203-F205 HydrophobicContact CD-CZ 3.97Å; F205-F207 HydrophobicContact CB-CE2 3.85Å; F205-F207 HydrophobicContact CB-CZ 4.34Å; F205-S221 CarbonylContact C-O 3.57Å; F205-S221 WeakPolarHBondContact CA-O 3.24Å; F205-E222 HydrophobicContact CD1-CB 3.95Å; F205-E222 HydrophobicContact CD1-CG 4.25Å; F205-E222 HydrophobicContact CE1-CB 3.69Å; F205-E222 HydrophobicContact CE1-CG 3.67Å; F205-E222 HydrophobicContact CZ-CG 4.01Å |
| 206 | F | 94.5 | Very high | 87 | Confident | 60 Ų | 60 | 79.1 Ų | 79.1 | 26% | 0.263 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 138.8 | 175.5 | -65.7 | -95.4 | 0 | 0 | 0 | 110.1 | R204 V220 S221 V223 | R204-F206 HydrophobicContact CB-CE2 4.12Å; R204-F206 VanDerWaalsContact CD-CE2 3.5Å; R204-F206 HydrophobicContact CG-CD2 4.23Å; R204-F206 HydrophobicContact CG-CE2 3.72Å; R204-F206 HydrophobicContact CG-CZ 3.97Å; F206-V220 CarbonylContact O-C 3.51Å; F206-V220 VanDerWaalsContact O-CA 3.27Å; F206-V220 WeakPolarHBondContact O-CA 3.28Å; F206-S221 PolarHBondContact N-O 3.39Å; F206-S221 PolarHBondContact O-N 3.13Å; F206-V223 HydrophobicContact CD2-CB 4.41Å; F206-V223 HydrophobicContact CD2-CG2 3.68Å; F206-V223 HydrophobicContact CE2-CB 4.06Å; F206-V223 HydrophobicContact CE2-CG2 3.66Å |
| 207 | F | 95.8 | Very high | 87.2 | Confident | 65 Ų | 65 | 76 Ų | 76 | 29% | 0.285 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 87.4 | 177.7 | -61.4 | -99.1 | 0 | 0 | 0 | 107.7 | G195 T196 L198 F205 M218 V220 | G195-F207 VanDerWaalsContact CA-O 3.23Å; G195-F207 WeakPolarHBondContact CA-O 3.49Å; T196-F207 PolarHBondContact N-O 2.85Å; T196-F207 VanDerWaalsContact N-O 3.16Å; T196-F207 PolarHBondContact O-N 3.12Å; L198-F207 HydrophobicContact CD2-CD2 4.39Å; L198-F207 HydrophobicContact CD2-CE2 3.4Å; L198-F207 VanDerWaalsContact CD2-CE2 3.4Å; L198-F207 HydrophobicContact CD2-CZ 3.86Å; L198-F207 HydrophobicContact CG-CE2 3.87Å; F205-F207 HydrophobicContact CB-CE2 3.85Å; F205-F207 HydrophobicContact CB-CZ 4.34Å; F207-M218 HydrophobicContact CB-SD 4.42Å; F207-M218 HydrophobicContact CD1-SD 4.09Å; F207-V220 HydrophobicContact CD1-CG1 4.11Å; F207-V220 HydrophobicContact CD1-CG2 3.84Å; F207-V220 HydrophobicContact CE1-CG1 3.75Å; F207-V220 HydrophobicContact CE1-CG2 4.06Å; F207-V220 HydrophobicContact CZ-CG1 4.13Å |
| 208 | D | 92.3 | Very high | 87.4 | Confident | 41 Ų | 41 | 75.5 Ų | 75.5 | 22% | 0.219 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 121.2 | -176.7 | -49.4 | -41.9 | 0 | 0 | 0 | 109.3 | M218 R219 | D208-M218 CarbonylContact O-C 3.53Å; D208-M218 WeakPolarHBondContact O-CA 3.35Å; D208-R219 HydrophobicContact CB-CB 4.48Å; D208-R219 PolarHBondContact N-O 3.34Å; D208-R219 PolarHBondContact O-N 3.2Å; D208-R219 IonicContact OD2-CZ 3.4Å; D208-R219 IonicContact OD2-NE 3.56Å; D208-R219 PolarHBondContact OD2-NE 2.89Å; D208-R219 IonicContact OD2-NH2 3.74Å; D208-R219 PolarHBondContact OD2-NH2 2.74Å |
| 209 | V | 90.4 | Very high | 87.5 | Confident | 26 Ų | 26 | 76 Ų | 76 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128.3 | 167.2 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | L192 P193 V216 F217 M218 W238 | L192-V209 HydrophobicContact CB-CG1 4.27Å; L192-V209 HydrophobicContact CD1-CG1 4.33Å; L192-V209 HydrophobicContact CD2-CG1 4.04Å; L192-V209 HydrophobicContact CG-CG1 4.44Å; P193-V209 HydrophobicContact CG-CB 4.04Å; P193-V209 HydrophobicContact CG-CG1 4.22Å; P193-V209 HydrophobicContact CG-CG2 3.85Å; V209-V216 HydrophobicContact CG1-CG1 3.74Å; V209-F217 WeakPolarHBondContact CA-O 3.35Å; V209-M218 HydrophobicContact CG2-CE 3.97Å; V209-W238 HydrophobicContact CG1-CH2 3.82Å; V209-W238 HydrophobicContact CG1-CZ2 4.39Å; V209-W238 HydrophobicContact CG2-CH2 4.13Å |
| 210 | G | 85.1 | Confident | 87.6 | Confident | 17 Ų | 17 | 73 Ų | 73 | 18% | 0.175 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 162.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V216 F217 | G210-V216 CarbonylContact O-C 3.43Å; G210-V216 WeakPolarHBondContact O-CA 3.48Å; G210-F217 PolarHBondContact N-O 3.43Å; G210-F217 VanDerWaalsContact O-CD1 3.29Å; G210-F217 WeakPolarHBondContact O-CD1 3.3Å; G210-F217 PolarHBondContact O-N 3.49Å; G210-F217 VanDerWaalsContact O-O 3.07Å |
| 211 | S | 81.9 | Confident | 87.8 | Confident | 69 Ų | 69 | 69.6 Ų | 69.6 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 146.6 | 171.8 | 60.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 212 | N | 73.1 | Confident | 88.1 | Confident | 77 Ų | 77 | 64 Ų | 64 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | -176.6 | 168.5 | 66.5 | 35 | 0 | 0 | 0 | 109.4 | Y214 G215 F217 | N212-Y214 PolarHBondContact O-N 2.83Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.27Å; N212-Y214 VanDerWaalsContact OD1-CB 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.47Å; N212-Y214 PolarHBondContact OD1-N 2.81Å; N212-G215 PolarHBondContact N-O 2.85Å; N212-G215 VanDerWaalsContact N-O 3.08Å; N212-G215 PolarHBondContact O-N 2.81Å; N212-F217 HydrophobicContact CB-CD1 4.5Å; N212-F217 HydrophobicContact CB-CE1 3.92Å; N212-F217 WeakPolarHBondContact ND2-CD1 3.28Å; N212-F217 VanDerWaalsContact ND2-CE1 3.27Å; N212-F217 WeakPolarHBondContact ND2-CE1 3.36Å |
| 213 | K | 62.1 | Low | 88.3 | Confident | 114 Ų | 114 | 60.4 Ų | 60.4 | 50% | 0.496 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -11.2 | 178.8 | 68.1 | 178.8 | -177.4 | 169.3 | 0 | 115.8 | ||
| 214 | Y | 72.1 | Confident | 88.2 | Confident | 189 Ų | 189 | 61 Ų | 61 | 74% | 0.741 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 1.8 | 177.4 | -57.7 | -70.8 | 0 | 0 | 0 | 113 | N212 | N212-Y214 PolarHBondContact O-N 2.83Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.27Å; N212-Y214 VanDerWaalsContact OD1-CB 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.47Å; N212-Y214 PolarHBondContact OD1-N 2.81Å |
| 215 | G | 76.7 | Confident | 87.9 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 113.1 | -171.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N212 | N212-G215 PolarHBondContact N-O 2.85Å; N212-G215 VanDerWaalsContact N-O 3.08Å; N212-G215 PolarHBondContact O-N 2.81Å |
| 216 | V | 87 | Confident | 87.5 | Confident | 50 Ų | 50 | 64.6 Ų | 64.6 | 30% | 0.303 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 139.4 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | L192 V209 G210 C235 W238 | L192-V216 HydrophobicContact CD2-CG1 3.97Å; L192-V216 HydrophobicContact CD2-CG2 4.09Å; V209-V216 HydrophobicContact CG1-CG1 3.74Å; G210-V216 CarbonylContact O-C 3.43Å; G210-V216 WeakPolarHBondContact O-CA 3.48Å; V216-C235 HydrophobicContact CB-CB 3.93Å; V216-C235 HydrophobicContact CG1-CB 4.2Å; V216-C235 WeakPolarHBondContact O-CB 3.41Å; V216-C235 PolarHBondContact O-N 3.33Å; V216-W238 HydrophobicContact CG1-CH2 3.83Å; V216-W238 HydrophobicContact CG1-CZ2 4.19Å |
| 217 | F | 92.1 | Very high | 87.2 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 158.1 | 178.9 | 66.7 | -90 | 0 | 0 | 0 | 111 | V209 G210 N212 R219 T232 V233 | V209-F217 WeakPolarHBondContact CA-O 3.35Å; G210-F217 PolarHBondContact N-O 3.43Å; G210-F217 VanDerWaalsContact O-CD1 3.29Å; G210-F217 WeakPolarHBondContact O-CD1 3.3Å; G210-F217 PolarHBondContact O-N 3.49Å; G210-F217 VanDerWaalsContact O-O 3.07Å; N212-F217 HydrophobicContact CB-CD1 4.5Å; N212-F217 HydrophobicContact CB-CE1 3.92Å; N212-F217 WeakPolarHBondContact ND2-CD1 3.28Å; N212-F217 VanDerWaalsContact ND2-CE1 3.27Å; N212-F217 WeakPolarHBondContact ND2-CE1 3.36Å; F217-R219 HydrophobicContact CD2-CB 4.44Å; F217-R219 HydrophobicContact CE2-CB 4.21Å; F217-T232 HydrophobicContact CB-CG2 3.79Å; F217-T232 HydrophobicContact CD2-CG2 3.53Å; F217-T232 HydrophobicContact CE2-CG2 4.31Å; F217-T232 HydrophobicContact CG-CG2 3.78Å; F217-V233 CarbonylContact C-O 3.58Å; F217-V233 WeakPolarHBondContact CA-O 3.18Å |
| 218 | M | 94.7 | Very high | 87 | Confident | 50 Ų | 50 | 70.8 Ų | 70.8 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.9 | 170.1 | -177.4 | -179.3 | -67.5 | 0 | 0 | 108 | F207 D208 V209 V220 V233 W238 | F207-M218 HydrophobicContact CB-SD 4.42Å; F207-M218 HydrophobicContact CD1-SD 4.09Å; D208-M218 CarbonylContact O-C 3.53Å; D208-M218 WeakPolarHBondContact O-CA 3.35Å; V209-M218 HydrophobicContact CG2-CE 3.97Å; M218-V220 HydrophobicContact CG-CG2 4.2Å; M218-V220 HydrophobicContact SD-CG2 4.18Å; M218-V233 PolarHBondContact N-O 3.15Å; M218-V233 PolarHBondContact O-N 3.33Å; M218-W238 HydrophobicContact CB-CZ2 3.65Å |
| 219 | R | 94.9 | Very high | 87.1 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 33% | 0.332 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 115.4 | 171.1 | -175.2 | 176.7 | 60.7 | -153 | -4.1 | 108.8 | D208 F217 I231 | D208-R219 HydrophobicContact CB-CB 4.48Å; D208-R219 PolarHBondContact N-O 3.34Å; D208-R219 PolarHBondContact O-N 3.2Å; D208-R219 IonicContact OD2-CZ 3.4Å; D208-R219 IonicContact OD2-NE 3.56Å; D208-R219 PolarHBondContact OD2-NE 2.89Å; D208-R219 IonicContact OD2-NH2 3.74Å; D208-R219 PolarHBondContact OD2-NH2 2.74Å; F217-R219 HydrophobicContact CD2-CB 4.44Å; F217-R219 HydrophobicContact CE2-CB 4.21Å; R219-I231 WeakPolarHBondContact CA-O 3.39Å |
| 220 | V | 95.8 | Very high | 87.4 | Confident | 29 Ų | 29 | 73.8 Ų | 73.8 | 18% | 0.176 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 112.5 | 173.8 | -173.7 | 0 | 0 | 0 | 0 | 107.6 | F206 F207 M218 S230 I231 | F206-V220 CarbonylContact O-C 3.51Å; F206-V220 VanDerWaalsContact O-CA 3.27Å; F206-V220 WeakPolarHBondContact O-CA 3.28Å; F207-V220 HydrophobicContact CD1-CG1 4.11Å; F207-V220 HydrophobicContact CD1-CG2 3.84Å; F207-V220 HydrophobicContact CE1-CG1 3.75Å; F207-V220 HydrophobicContact CE1-CG2 4.06Å; F207-V220 HydrophobicContact CZ-CG1 4.13Å; M218-V220 HydrophobicContact CG-CG2 4.2Å; M218-V220 HydrophobicContact SD-CG2 4.18Å; V220-S230 CarbonylContact O-C 3.45Å; V220-S230 VanDerWaalsContact O-CA 3.23Å; V220-S230 WeakPolarHBondContact O-CA 3.26Å; V220-I231 HydrophobicContact CB-CD1 4.46Å; V220-I231 HydrophobicContact CB-CG1 3.93Å; V220-I231 PolarHBondContact N-O 2.89Å; V220-I231 PolarHBondContact O-N 3.47Å |
| 221 | S | 95.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125 | -177.7 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | F205 F206 R228 N229 | F205-S221 CarbonylContact C-O 3.57Å; F205-S221 WeakPolarHBondContact CA-O 3.24Å; F206-S221 PolarHBondContact N-O 3.39Å; F206-S221 PolarHBondContact O-N 3.13Å; S221-R228 PolarHBondContact OG-NH2 2.92Å; S221-N229 CarbonylContact C-O 3.51Å; S221-N229 VanDerWaalsContact CA-O 3.23Å; S221-N229 WeakPolarHBondContact CA-O 3.32Å |
| 222 | E | 94.4 | Very high | 88.5 | Confident | 43 Ų | 43 | 77.7 Ų | 77.7 | 20% | 0.201 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.3 | 164.2 | -180 | -176.3 | 158.9 | 0 | 0 | 108.9 | K203 F205 R228 N229 | K203-E222 HydrophobicContact CD-CG 4.25Å; K203-E222 VanDerWaalsContact CD-OE1 3.25Å; K203-E222 WeakPolarHBondContact CD-OE1 3.44Å; K203-E222 WeakPolarHBondContact CE-OE1 3.33Å; K203-E222 IonicContact NZ-OE1 3.66Å; K203-E222 PolarHBondContact NZ-OE1 2.82Å; K203-E222 IonicContact NZ-OE2 3.61Å; F205-E222 HydrophobicContact CD1-CB 3.95Å; F205-E222 HydrophobicContact CD1-CG 4.25Å; F205-E222 HydrophobicContact CE1-CB 3.69Å; F205-E222 HydrophobicContact CE1-CG 3.67Å; F205-E222 HydrophobicContact CZ-CG 4.01Å; E222-R228 CarbonylContact O-C 3.6Å; E222-R228 WeakPolarHBondContact O-CA 3.2Å; E222-N229 HydrophobicContact CB-CB 4.49Å; E222-N229 PolarHBondContact N-O 3.47Å; E222-N229 PolarHBondContact O-N 2.84Å |
| 223 | V | 93.4 | Very high | 89.5 | Confident | 37 Ų | 37 | 74.6 Ų | 74.6 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.7 | -178.4 | -175 | 0 | 0 | 0 | 0 | 110.5 | K203 R204 F206 R228 | K203-V223 WeakPolarHBondContact CA-O 3.44Å; R204-V223 PolarHBondContact N-O 3.19Å; R204-V223 PolarHBondContact O-N 2.82Å; F206-V223 HydrophobicContact CD2-CB 4.41Å; F206-V223 HydrophobicContact CD2-CG2 3.68Å; F206-V223 HydrophobicContact CE2-CB 4.06Å; F206-V223 HydrophobicContact CE2-CG2 3.66Å; V223-R228 HydrophobicContact CG2-CG 3.96Å |
| 224 | K | 90.9 | Very high | 91 | Very high | 80 Ų | 80 | 72 Ų | 72 | 35% | 0.348 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 165.1 | 165.6 | -70.6 | -173 | 177.1 | -177.4 | 0 | 108.9 | K203 T226 Y227 | K203-K224 HydrophobicContact CG-CD 4.41Å; K203-K224 HydrophobicContact CG-CG 4.01Å; K224-T226 PolarHBondContact O-N 3.23Å; K224-T226 VanDerWaalsContact O-N 3.1Å; K224-Y227 PolarHBondContact N-O 2.75Å; K224-Y227 PolarHBondContact O-N 2.78Å; K224-Y227 VanDerWaalsContact O-O 3.04Å |
| 225 | P | 86.6 | Confident | 92 | Very high | 111 Ų | 111 | 65.6 Ų | 65.6 | 72% | 0.721 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -33.8 | 177 | -28.7 | 35.9 | 0 | 0 | 0 | 114.5 | ||
| 226 | T | 88.9 | Confident | 92.6 | Very high | 139 Ų | 139 | 72.8 Ų | 72.8 | 85% | 0.853 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -6.9 | -174.5 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | K224 | K224-T226 PolarHBondContact O-N 3.23Å; K224-T226 VanDerWaalsContact O-N 3.1Å |
| 227 | Y | 87.6 | Confident | 93 | Very high | 118 Ų | 118 | 73 Ų | 73 | 46% | 0.463 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 139 | -170.4 | 177.5 | -109.2 | 0 | 0 | 0 | 112.1 | K224 N229 | K224-Y227 PolarHBondContact N-O 2.75Å; K224-Y227 PolarHBondContact O-N 2.78Å; K224-Y227 VanDerWaalsContact O-O 3.04Å; Y227-N229 HydrophobicContact CE1-CB 3.57Å; Y227-N229 VanDerWaalsContact OH-CB 3.29Å; Y227-N229 WeakPolarHBondContact OH-CB 3.45Å; Y227-N229 PolarHBondContact OH-ND2 2.96Å |
| 228 | R | 92.3 | Very high | 93.1 | Very high | 136 Ų | 136 | 74.8 Ų | 74.8 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 123.1 | 173 | 177.5 | 165 | -175.6 | -108.5 | -1.1 | 109.8 | S221 E222 V223 | S221-R228 PolarHBondContact OG-NH2 2.92Å; E222-R228 CarbonylContact O-C 3.6Å; E222-R228 WeakPolarHBondContact O-CA 3.2Å; V223-R228 HydrophobicContact CG2-CG 3.96Å |
| 229 | N | 94.1 | Very high | 93 | Very high | 78 Ų | 78 | 76.8 Ų | 76.8 | 42% | 0.417 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 150.7 | 171 | -158.6 | 5.7 | 0 | 0 | 0 | 109.9 | S221 E222 Y227 | S221-N229 CarbonylContact C-O 3.51Å; S221-N229 VanDerWaalsContact CA-O 3.23Å; S221-N229 WeakPolarHBondContact CA-O 3.32Å; E222-N229 HydrophobicContact CB-CB 4.49Å; E222-N229 PolarHBondContact N-O 3.47Å; E222-N229 PolarHBondContact O-N 2.84Å; Y227-N229 HydrophobicContact CE1-CB 3.57Å; Y227-N229 VanDerWaalsContact OH-CB 3.29Å; Y227-N229 WeakPolarHBondContact OH-CB 3.45Å; Y227-N229 PolarHBondContact OH-ND2 2.96Å |
| 230 | S | 95.8 | Very high | 93 | Very high | 52 Ų | 52 | 80.2 Ų | 80.2 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 144.8 | 173.4 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | V220 | V220-S230 CarbonylContact O-C 3.45Å; V220-S230 VanDerWaalsContact O-CA 3.23Å; V220-S230 WeakPolarHBondContact O-CA 3.26Å |
| 231 | I | 95.4 | Very high | 92.9 | Very high | 86 Ų | 86 | 84 Ų | 84 | 44% | 0.441 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 154.2 | 166.7 | 62.8 | 169.3 | 0 | 0 | 0 | 109.9 | R219 V220 V233 F241 | R219-I231 WeakPolarHBondContact CA-O 3.39Å; V220-I231 HydrophobicContact CB-CD1 4.46Å; V220-I231 HydrophobicContact CB-CG1 3.93Å; V220-I231 PolarHBondContact N-O 2.89Å; V220-I231 PolarHBondContact O-N 3.47Å; I231-V233 HydrophobicContact CD1-CG2 3.97Å; I231-V233 HydrophobicContact CG1-CG2 4.32Å; I231-F241 HydrophobicContact CD1-CZ 4.23Å |
| 232 | T | 94.8 | Very high | 92.9 | Very high | 83 Ų | 83 | 85.3 Ų | 85.3 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 121.9 | 173.3 | -63.1 | 0 | 0 | 0 | 0 | 109.1 | F217 | F217-T232 HydrophobicContact CB-CG2 3.79Å; F217-T232 HydrophobicContact CD2-CG2 3.53Å; F217-T232 HydrophobicContact CE2-CG2 4.31Å; F217-T232 HydrophobicContact CG-CG2 3.78Å |
| 233 | V | 95.1 | Very high | 92.9 | Very high | 12 Ų | 12 | 88.8 Ų | 88.8 | 7% | 0.073 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 112.4 | -177.7 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | F217 M218 I231 V237 W238 F241 | F217-V233 CarbonylContact C-O 3.58Å; F217-V233 WeakPolarHBondContact CA-O 3.18Å; M218-V233 PolarHBondContact N-O 3.15Å; M218-V233 PolarHBondContact O-N 3.33Å; I231-V233 HydrophobicContact CD1-CG2 3.97Å; I231-V233 HydrophobicContact CG1-CG2 4.32Å; V233-V237 HydrophobicContact CG1-CG2 3.75Å; V233-W238 PolarHBondContact O-NE1 2.81Å; V233-F241 HydrophobicContact CG1-CB 4.47Å; V233-F241 HydrophobicContact CG1-CD2 4.22Å; V233-F241 HydrophobicContact CG1-CG 4.29Å; V233-F241 HydrophobicContact CG2-CE2 4.35Å |
| 234 | P | 93.6 | Very high | 93.1 | Very high | 58 Ų | 58 | 90.6 Ų | 90.6 | 38% | 0.377 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 142.5 | 177 | -23.2 | 34.1 | 0 | 0 | 0 | 112.5 | K236 V237 W238 | P234-K236 HydrophobicContact CB-CG 4Å; P234-K236 PolarHBondContact O-N 2.87Å; P234-K236 VanDerWaalsContact O-N 3.15Å; P234-V237 WeakPolarHBondContact O-CG2 3.21Å; P234-V237 PolarHBondContact O-N 2.81Å; P234-W238 VanDerWaalsContact O-CD1 3.25Å |
| 235 | C | 91.6 | Very high | 93.3 | Very high | 55 Ų | 55 | 93.9 Ų | 93.9 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -52.9 | -40 | -178.1 | 178.4 | 0 | 0 | 0 | 0 | 113.4 | V216 V237 W238 | V216-C235 HydrophobicContact CB-CB 3.93Å; V216-C235 HydrophobicContact CG1-CB 4.2Å; V216-C235 WeakPolarHBondContact O-CB 3.41Å; V216-C235 PolarHBondContact O-N 3.33Å; C235-V237 PolarHBondContact O-N 3.21Å; C235-W238 VanDerWaalsContact CA-CE2 3.49Å; C235-W238 HydrophobicContact CB-CD2 4.2Å; C235-W238 HydrophobicContact CB-CE3 4.39Å; C235-W238 HydrophobicContact CB-CH2 4.22Å; C235-W238 HydrophobicContact CB-CZ2 4Å; C235-W238 HydrophobicContact CB-CZ3 4.4Å; C235-W238 PolarHBondContact O-N 3.41Å |
| 236 | K | 90.8 | Very high | 93.8 | Very high | 189 Ų | 189 | 91.9 Ų | 91.9 | 82% | 0.822 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -55.7 | -16.2 | 178.3 | 63.8 | 175 | -177.6 | -177.2 | 0 | 115.8 | P234 | P234-K236 HydrophobicContact CB-CG 4Å; P234-K236 PolarHBondContact O-N 2.87Å; P234-K236 VanDerWaalsContact O-N 3.15Å |
| 237 | V | 94.4 | Very high | 94.1 | Very high | 54 Ų | 54 | 90.8 Ų | 90.8 | 33% | 0.327 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -115 | 0.6 | 178.3 | -61.9 | 0 | 0 | 0 | 0 | 114.3 | V233 P234 C235 S239 K240 F241 | V233-V237 HydrophobicContact CG1-CG2 3.75Å; P234-V237 WeakPolarHBondContact O-CG2 3.21Å; P234-V237 PolarHBondContact O-N 2.81Å; C235-V237 PolarHBondContact O-N 3.21Å; V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 2.87Å; V237-K240 PolarHBondContact O-N 3.19Å; V237-K240 VanDerWaalsContact O-N 3.12Å; V237-F241 WeakPolarHBondContact O-CB 3.4Å; V237-F241 PolarHBondContact O-N 2.96Å |
| 238 | W | 94.1 | Very high | 94.6 | Very high | 72 Ų | 72 | 91.6 Ų | 91.6 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.4 | -44.2 | -175.6 | -71.5 | -5.2 | 0 | 0 | 0 | 113.1 | V209 V216 M218 V233 P234 C235 K240 F241 G242 | V209-W238 HydrophobicContact CG1-CH2 3.82Å; V209-W238 HydrophobicContact CG1-CZ2 4.39Å; V209-W238 HydrophobicContact CG2-CH2 4.13Å; V216-W238 HydrophobicContact CG1-CH2 3.83Å; V216-W238 HydrophobicContact CG1-CZ2 4.19Å; M218-W238 HydrophobicContact CB-CZ2 3.65Å; V233-W238 PolarHBondContact O-NE1 2.81Å; P234-W238 VanDerWaalsContact O-CD1 3.25Å; C235-W238 VanDerWaalsContact CA-CE2 3.49Å; C235-W238 HydrophobicContact CB-CD2 4.2Å; C235-W238 HydrophobicContact CB-CE3 4.39Å; C235-W238 HydrophobicContact CB-CH2 4.22Å; C235-W238 HydrophobicContact CB-CZ2 4Å; C235-W238 HydrophobicContact CB-CZ3 4.4Å; C235-W238 PolarHBondContact O-N 3.41Å; W238-K240 VanDerWaalsContact C-N 3.32Å; W238-K240 PolarHBondContact O-N 2.81Å; W238-F241 PolarHBondContact O-N 2.84Å; W238-G242 PolarHBondContact O-N 3.49Å |
| 239 | S | 92.6 | Very high | 94.7 | Very high | 93 Ų | 93 | 87.3 Ų | 87.3 | 65% | 0.65 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.2 | -41.9 | 178.9 | -48.5 | 0 | 0 | 0 | 0 | 112.2 | V237 N243 | V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 2.87Å; S239-N243 VanDerWaalsContact O-CB 3.3Å; S239-N243 WeakPolarHBondContact O-CB 3.21Å; S239-N243 PolarHBondContact O-N 3.05Å; S239-N243 PolarHBondContact O-ND2 2.87Å; S239-N243 PolarHBondContact O-OD1 3.4Å |
| 240 | K | 94.4 | Very high | 94.8 | Very high | 160 Ų | 160 | 88.5 Ų | 88.5 | 70% | 0.696 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.3 | -45.7 | 177.2 | -67 | -176.3 | -178.7 | -178.7 | 0 | 111 | V237 W238 N243 T244 | V237-K240 PolarHBondContact O-N 3.19Å; V237-K240 VanDerWaalsContact O-N 3.12Å; W238-K240 VanDerWaalsContact C-N 3.32Å; W238-K240 PolarHBondContact O-N 2.81Å; K240-N243 PolarHBondContact O-N 3.34Å; K240-T244 PolarHBondContact O-N 2.81Å; K240-T244 PolarHBondContact O-OG1 3.19Å; K240-T244 VanDerWaalsContact O-OG1 3.04Å |
| 241 | F | 95.3 | Very high | 94.8 | Very high | 107 Ų | 107 | 89.8 Ų | 89.8 | 47% | 0.469 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 179.1 | -167.2 | -84.5 | 0 | 0 | 0 | 111.6 | I231 V233 V237 W238 T244 F245 | I231-F241 HydrophobicContact CD1-CZ 4.23Å; V233-F241 HydrophobicContact CG1-CB 4.47Å; V233-F241 HydrophobicContact CG1-CD2 4.22Å; V233-F241 HydrophobicContact CG1-CG 4.29Å; V233-F241 HydrophobicContact CG2-CE2 4.35Å; V237-F241 WeakPolarHBondContact O-CB 3.4Å; V237-F241 PolarHBondContact O-N 2.96Å; W238-F241 PolarHBondContact O-N 2.84Å; F241-T244 PolarHBondContact O-N 2.94Å; F241-F245 PolarHBondContact O-N 2.83Å |
| 242 | G | 94.1 | Very high | 94.7 | Very high | 29 Ų | 29 | 91.1 Ų | 91.1 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W238 T244 F245 C246 | W238-G242 PolarHBondContact O-N 3.49Å; G242-T244 VanDerWaalsContact C-N 3.31Å; G242-T244 PolarHBondContact O-N 2.77Å; G242-F245 WeakPolarHBondContact O-CB 3.41Å; G242-F245 PolarHBondContact O-N 2.83Å; G242-F245 VanDerWaalsContact O-N 3.1Å; G242-C246 PolarHBondContact O-N 2.85Å; G242-C246 PolarHBondContact O-SG 2.9Å |
| 243 | N | 95.3 | Very high | 94.7 | Very high | 116 Ų | 116 | 93.8 Ų | 93.8 | 62% | 0.62 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.8 | -42.3 | 177.5 | -71.4 | -8.6 | 0 | 0 | 0 | 112.1 | S239 K240 F245 C246 K247 | S239-N243 VanDerWaalsContact O-CB 3.3Å; S239-N243 WeakPolarHBondContact O-CB 3.21Å; S239-N243 PolarHBondContact O-N 3.05Å; S239-N243 PolarHBondContact O-ND2 2.87Å; S239-N243 PolarHBondContact O-OD1 3.4Å; K240-N243 PolarHBondContact O-N 3.34Å; N243-F245 VanDerWaalsContact C-N 3.34Å; N243-C246 PolarHBondContact O-N 2.9Å; N243-K247 WeakPolarHBondContact O-CB 3.42Å; N243-K247 PolarHBondContact O-N 3.48Å |
| 244 | T | 96.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 98.5 Ų | 98.5 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 175 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | K240 F241 G242 K247 Y248 | K240-T244 PolarHBondContact O-N 2.81Å; K240-T244 PolarHBondContact O-OG1 3.19Å; K240-T244 VanDerWaalsContact O-OG1 3.04Å; F241-T244 PolarHBondContact O-N 2.94Å; G242-T244 VanDerWaalsContact C-N 3.31Å; G242-T244 PolarHBondContact O-N 2.77Å; T244-K247 PolarHBondContact O-N 3.31Å; T244-Y248 HydrophobicContact CG2-CD2 3.81Å; T244-Y248 HydrophobicContact CG2-CE2 3.54Å; T244-Y248 WeakPolarHBondContact O-CD2 3.26Å; T244-Y248 PolarHBondContact O-N 3.3Å |
| 245 | F | 95.8 | Very high | 94.6 | Very high | 148 Ų | 148 | 99.4 Ų | 99.4 | 65% | 0.649 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.3 | -47.9 | 177.2 | -168.9 | -90.3 | 0 | 0 | 0 | 112.2 | F241 G242 N243 K247 Y248 A249 | F241-F245 PolarHBondContact O-N 2.83Å; G242-F245 WeakPolarHBondContact O-CB 3.41Å; G242-F245 PolarHBondContact O-N 2.83Å; G242-F245 VanDerWaalsContact O-N 3.1Å; N243-F245 VanDerWaalsContact C-N 3.34Å; F245-K247 PolarHBondContact O-N 2.85Å; F245-Y248 PolarHBondContact O-N 3.4Å; F245-A249 PolarHBondContact O-N 3.1Å |
| 246 | C | 96.5 | Very high | 94.5 | Very high | 70 Ų | 70 | 103.2 Ų | 103.2 | 47% | 0.473 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 178 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | G242 N243 Y248 A249 E250 | G242-C246 PolarHBondContact O-N 2.85Å; G242-C246 PolarHBondContact O-SG 2.9Å; N243-C246 PolarHBondContact O-N 2.9Å; C246-Y248 PolarHBondContact O-N 3.31Å; C246-A249 WeakPolarHBondContact O-CB 3.38Å; C246-A249 PolarHBondContact O-N 2.89Å; C246-E250 PolarHBondContact O-N 2.87Å |
| 247 | K | 96.4 | Very high | 94.6 | Very high | 116 Ų | 116 | 98.4 Ų | 98.4 | 50% | 0.504 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -55 | -50.1 | 176.1 | -178.6 | -171.6 | 170.8 | -173.6 | 0 | 111.5 | N243 T244 F245 A249 E250 E251 | N243-K247 WeakPolarHBondContact O-CB 3.42Å; N243-K247 PolarHBondContact O-N 3.48Å; T244-K247 PolarHBondContact O-N 3.31Å; F245-K247 PolarHBondContact O-N 2.85Å; K247-A249 VanDerWaalsContact C-N 3.34Å; K247-A249 PolarHBondContact O-N 3.06Å; K247-E250 PolarHBondContact O-N 2.64Å; K247-E251 WeakPolarHBondContact CE-OE1 3.45Å; K247-E251 IonicContact NZ-OE1 2.84Å; K247-E251 PolarHBondContact O-N 2.8Å; K247-E251 VanDerWaalsContact O-N 3.08Å |
| 248 | Y | 97.1 | Very high | 94.4 | Very high | 135 Ų | 135 | 102.2 Ų | 102.2 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.5 | -32.5 | -179.9 | -75.3 | -58.6 | 0 | 0 | 0 | 113 | T244 F245 C246 E250 E251 M252 | T244-Y248 HydrophobicContact CG2-CD2 3.81Å; T244-Y248 HydrophobicContact CG2-CE2 3.54Å; T244-Y248 WeakPolarHBondContact O-CD2 3.26Å; T244-Y248 PolarHBondContact O-N 3.3Å; F245-Y248 PolarHBondContact O-N 3.4Å; C246-Y248 PolarHBondContact O-N 3.31Å; Y248-E250 VanDerWaalsContact C-N 3.33Å; Y248-E250 PolarHBondContact O-N 3.08Å; Y248-E251 WeakPolarHBondContact CD1-OE2 3.25Å; Y248-E251 PolarHBondContact O-N 2.73Å; Y248-M252 WeakPolarHBondContact O-CB 3.21Å; Y248-M252 WeakPolarHBondContact O-CG 3.31Å; Y248-M252 PolarHBondContact O-N 2.8Å |
| 249 | A | 95.4 | Very high | 93.9 | Very high | 46 Ų | 46 | 102.1 Ų | 102.1 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | F245 C246 K247 R253 | F245-A249 PolarHBondContact O-N 3.1Å; C246-A249 WeakPolarHBondContact O-CB 3.38Å; C246-A249 PolarHBondContact O-N 2.89Å; K247-A249 VanDerWaalsContact C-N 3.34Å; K247-A249 PolarHBondContact O-N 3.06Å; A249-R253 PolarHBondContact O-N 2.77Å; A249-R253 VanDerWaalsContact O-N 3.12Å |
| 250 | E | 94.8 | Very high | 93.7 | Very high | 102 Ų | 102 | 107 Ų | 107 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.3 | -42.8 | 174.3 | -70.2 | 179.7 | -178.5 | 0 | 0 | 112.7 | C246 K247 Y248 M252 R253 K254 | C246-E250 PolarHBondContact O-N 2.87Å; K247-E250 PolarHBondContact O-N 2.64Å; Y248-E250 VanDerWaalsContact C-N 3.33Å; Y248-E250 PolarHBondContact O-N 3.08Å; E250-M252 VanDerWaalsContact C-N 3.32Å; E250-M252 PolarHBondContact O-N 2.82Å; E250-R253 WeakPolarHBondContact O-CB 3.43Å; E250-R253 PolarHBondContact O-N 2.67Å; E250-K254 PolarHBondContact O-N 3.15Å; E250-K254 VanDerWaalsContact O-N 3.1Å |
| 251 | E | 95.9 | Very high | 93.2 | Very high | 80 Ų | 80 | 105.5 Ų | 105.5 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 176.3 | -73.6 | -180 | -179 | 0 | 0 | 111.5 | K247 Y248 R253 K254 I255 | K247-E251 WeakPolarHBondContact CE-OE1 3.45Å; K247-E251 IonicContact NZ-OE1 2.84Å; K247-E251 PolarHBondContact O-N 2.8Å; K247-E251 VanDerWaalsContact O-N 3.08Å; Y248-E251 WeakPolarHBondContact CD1-OE2 3.25Å; Y248-E251 PolarHBondContact O-N 2.73Å; E251-R253 PolarHBondContact O-N 2.8Å; E251-K254 PolarHBondContact O-N 2.94Å; E251-I255 WeakPolarHBondContact O-CG1 3.48Å; E251-I255 PolarHBondContact O-N 2.84Å; E251-I255 VanDerWaalsContact O-N 3.08Å |
| 252 | M | 94.1 | Very high | 92.6 | Very high | 113 Ų | 113 | 107 Ų | 107 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.9 | -38.4 | 175.9 | -77.4 | -64.3 | 176.8 | 0 | 0 | 112.8 | Y248 E250 I255 Q256 | Y248-M252 WeakPolarHBondContact O-CB 3.21Å; Y248-M252 WeakPolarHBondContact O-CG 3.31Å; Y248-M252 PolarHBondContact O-N 2.8Å; E250-M252 VanDerWaalsContact C-N 3.32Å; E250-M252 PolarHBondContact O-N 2.82Å; M252-I255 PolarHBondContact O-N 2.87Å; M252-I255 HydrophobicContact SD-CD1 4.18Å; M252-Q256 WeakPolarHBondContact O-CG 3.29Å; M252-Q256 PolarHBondContact O-N 2.93Å |
| 253 | R | 93.9 | Very high | 91.9 | Very high | 139 Ų | 139 | 114.3 Ų | 114.3 | 53% | 0.525 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.7 | -47.3 | 175.1 | -165.5 | -169.6 | -43.9 | 176.9 | 9.3 | 111.5 | A249 E250 E251 I255 Q256 E257 | A249-R253 PolarHBondContact O-N 2.77Å; A249-R253 VanDerWaalsContact O-N 3.12Å; E250-R253 WeakPolarHBondContact O-CB 3.43Å; E250-R253 PolarHBondContact O-N 2.67Å; E251-R253 PolarHBondContact O-N 2.8Å; R253-I255 VanDerWaalsContact C-N 3.27Å; R253-I255 PolarHBondContact O-N 2.82Å; R253-Q256 PolarHBondContact O-N 3.1Å; R253-Q256 VanDerWaalsContact O-N 3.13Å; R253-E257 WeakPolarHBondContact O-CG 3.3Å; R253-E257 PolarHBondContact O-N 2.66Å |
| 254 | K | 93.6 | Very high | 91 | Very high | 112 Ų | 112 | 111.5 Ų | 111.5 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -36.2 | 176.6 | -68.4 | 174 | -177.8 | 173.2 | 0 | 112.3 | E250 E251 R258 | E250-K254 PolarHBondContact O-N 3.15Å; E250-K254 VanDerWaalsContact O-N 3.1Å; E251-K254 PolarHBondContact O-N 2.94Å; K254-R258 WeakPolarHBondContact O-CB 3.3Å; K254-R258 WeakPolarHBondContact O-CG 3.42Å; K254-R258 PolarHBondContact O-N 3.11Å; K254-R258 VanDerWaalsContact O-N 3.09Å |
| 255 | I | 93.7 | Very high | 90.1 | Very high | 76 Ų | 76 | 111.4 Ų | 111.4 | 39% | 0.39 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.7 | -45 | 175.2 | -67.1 | 165.3 | 0 | 0 | 0 | 110.5 | E251 M252 R253 R258 S259 | E251-I255 WeakPolarHBondContact O-CG1 3.48Å; E251-I255 PolarHBondContact O-N 2.84Å; E251-I255 VanDerWaalsContact O-N 3.08Å; M252-I255 PolarHBondContact O-N 2.87Å; M252-I255 HydrophobicContact SD-CD1 4.18Å; R253-I255 VanDerWaalsContact C-N 3.27Å; R253-I255 PolarHBondContact O-N 2.82Å; I255-R258 PolarHBondContact O-N 3.3Å; I255-S259 WeakPolarHBondContact O-CB 3.33Å; I255-S259 PolarHBondContact O-N 2.7Å; I255-S259 PolarHBondContact O-OG 3.26Å |
| 256 | Q | 90.4 | Very high | 88.9 | Confident | 135 Ų | 135 | 111.9 Ų | 111.9 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 178.9 | -71.9 | 177.3 | 1.7 | 0 | 0 | 112.2 | M252 R253 S259 R260 | M252-Q256 WeakPolarHBondContact O-CG 3.29Å; M252-Q256 PolarHBondContact O-N 2.93Å; R253-Q256 PolarHBondContact O-N 3.1Å; R253-Q256 VanDerWaalsContact O-N 3.13Å; Q256-S259 PolarHBondContact O-N 2.89Å; Q256-R260 WeakPolarHBondContact O-CB 3.25Å; Q256-R260 PolarHBondContact O-N 2.77Å |
| 257 | E | 91.4 | Very high | 87.4 | Confident | 88 Ų | 88 | 115 Ų | 115 | 41% | 0.411 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.2 | -50.9 | 175.8 | -74.8 | 167.1 | 177.2 | 0 | 0 | 111.3 | R253 S259 R260 E261 | R253-E257 WeakPolarHBondContact O-CG 3.3Å; R253-E257 PolarHBondContact O-N 2.66Å; E257-S259 VanDerWaalsContact C-N 3.3Å; E257-S259 PolarHBondContact O-N 2.75Å; E257-R260 WeakPolarHBondContact O-CB 3.45Å; E257-R260 PolarHBondContact O-N 2.9Å; E257-E261 WeakPolarHBondContact O-CG 3.2Å; E257-E261 PolarHBondContact O-N 2.99Å |
| 258 | R | 90.2 | Very high | 85.5 | Confident | 134 Ų | 134 | 115.8 Ų | 115.8 | 51% | 0.506 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 175.7 | -75.8 | -171.4 | -62.8 | -109.2 | 0.8 | 112.8 | K254 I255 R260 K262 | K254-R258 WeakPolarHBondContact O-CB 3.3Å; K254-R258 WeakPolarHBondContact O-CG 3.42Å; K254-R258 PolarHBondContact O-N 3.11Å; K254-R258 VanDerWaalsContact O-N 3.09Å; I255-R258 PolarHBondContact O-N 3.3Å; R258-R260 VanDerWaalsContact C-N 3.32Å; R258-K262 WeakPolarHBondContact O-CB 3.38Å; R258-K262 WeakPolarHBondContact O-CG 3.17Å; R258-K262 PolarHBondContact O-N 3.43Å |
| 259 | S | 84.7 | Confident | 83.5 | Confident | 70 Ų | 70 | 114.9 Ų | 114.9 | 49% | 0.49 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66 | -36.2 | 176.3 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | I255 Q256 E257 R263 | I255-S259 WeakPolarHBondContact O-CB 3.33Å; I255-S259 PolarHBondContact O-N 2.7Å; I255-S259 PolarHBondContact O-OG 3.26Å; Q256-S259 PolarHBondContact O-N 2.89Å; E257-S259 VanDerWaalsContact C-N 3.3Å; E257-S259 PolarHBondContact O-N 2.75Å; S259-R263 WeakPolarHBondContact O-CB 3.26Å; S259-R263 PolarHBondContact O-N 2.9Å; S259-R263 VanDerWaalsContact O-N 3.16Å |
| 260 | R | 87.3 | Confident | 81.4 | Confident | 196 Ų | 196 | 122.1 Ų | 122.1 | 74% | 0.74 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.1 | -42.9 | 176.4 | -166.6 | 177.6 | 80.7 | 175.6 | 5 | 111.7 | Q256 E257 R258 R263 A264 | Q256-R260 WeakPolarHBondContact O-CB 3.25Å; Q256-R260 PolarHBondContact O-N 2.77Å; E257-R260 WeakPolarHBondContact O-CB 3.45Å; E257-R260 PolarHBondContact O-N 2.9Å; R258-R260 VanDerWaalsContact C-N 3.32Å; R260-R263 PolarHBondContact O-N 2.78Å; R260-A264 WeakPolarHBondContact O-CB 3.46Å; R260-A264 PolarHBondContact O-N 3.21Å |
| 261 | E | 84 | Confident | 79.2 | Confident | 129 Ų | 129 | 120.7 Ų | 120.7 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.5 | -46.4 | 176.2 | -74.6 | 171.8 | 178.5 | 0 | 0 | 111.5 | E257 R263 A264 S265 | E257-E261 WeakPolarHBondContact O-CG 3.2Å; E257-E261 PolarHBondContact O-N 2.99Å; E261-R263 VanDerWaalsContact C-N 3.33Å; E261-R263 PolarHBondContact O-N 3.25Å; E261-A264 PolarHBondContact O-N 2.82Å; E261-A264 VanDerWaalsContact O-N 3.13Å; E261-S265 PolarHBondContact O-N 2.84Å; E261-S265 PolarHBondContact O-OG 2.96Å |
| 262 | K | 82.8 | Confident | 76.8 | Confident | 139 Ų | 139 | 125.7 Ų | 125.7 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -56.8 | -45.9 | 174.4 | -77.6 | -177.3 | 177.4 | -167.9 | 0 | 112.5 | R258 A264 S265 E266 | R258-K262 WeakPolarHBondContact O-CB 3.38Å; R258-K262 WeakPolarHBondContact O-CG 3.17Å; R258-K262 PolarHBondContact O-N 3.43Å; K262-A264 VanDerWaalsContact C-N 3.31Å; K262-A264 PolarHBondContact O-N 3.28Å; K262-S265 WeakPolarHBondContact CA-OG 3.39Å; K262-S265 PolarHBondContact O-N 3.06Å; K262-S265 PolarHBondContact O-OG 2.92Å; K262-E266 WeakPolarHBondContact O-CG 3.3Å; K262-E266 PolarHBondContact O-N 3.29Å; K262-E266 VanDerWaalsContact O-N 3.1Å |
| 263 | R | 80 | Confident | 74.5 | Confident | 182 Ų | 182 | 129.5 Ų | 129.5 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.2 | -34 | 177.8 | -168.7 | 177 | -179.8 | -177.5 | 0.3 | 112.4 | S259 R260 E261 L267 | S259-R263 WeakPolarHBondContact O-CB 3.26Å; S259-R263 PolarHBondContact O-N 2.9Å; S259-R263 VanDerWaalsContact O-N 3.16Å; R260-R263 PolarHBondContact O-N 2.78Å; E261-R263 VanDerWaalsContact C-N 3.33Å; E261-R263 PolarHBondContact O-N 3.25Å; R263-L267 HydrophobicContact CG-CD1 4.46Å; R263-L267 WeakPolarHBondContact O-CD1 3.32Å; R263-L267 WeakPolarHBondContact O-CG 3.32Å |
| 264 | A | 77 | Confident | 72.3 | Confident | 57 Ų | 57 | 125.8 Ų | 125.8 | 47% | 0.471 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -71.3 | -37.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | R260 E261 K262 L267 | R260-A264 WeakPolarHBondContact O-CB 3.46Å; R260-A264 PolarHBondContact O-N 3.21Å; E261-A264 PolarHBondContact O-N 2.82Å; E261-A264 VanDerWaalsContact O-N 3.13Å; K262-A264 VanDerWaalsContact C-N 3.31Å; K262-A264 PolarHBondContact O-N 3.28Å; A264-L267 PolarHBondContact O-N 3.15Å |
| 265 | S | 76.5 | Confident | 70.4 | Confident | 72 Ų | 72 | 127.5 Ų | 127.5 | 50% | 0.503 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -69.2 | -32.2 | 175.8 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | E261 K262 L267 | E261-S265 PolarHBondContact O-N 2.84Å; E261-S265 PolarHBondContact O-OG 2.96Å; K262-S265 WeakPolarHBondContact CA-OG 3.39Å; K262-S265 PolarHBondContact O-N 3.06Å; K262-S265 PolarHBondContact O-OG 2.92Å; S265-L267 PolarHBondContact O-N 3.25Å |
| 266 | E | 70.4 | Confident | 68.4 | Low | 159 Ų | 159 | 131.6 Ų | 131.6 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -13.1 | 176.1 | -72.9 | 170.2 | -177.3 | 0 | 0 | 113.5 | K262 | K262-E266 WeakPolarHBondContact O-CG 3.3Å; K262-E266 PolarHBondContact O-N 3.29Å; K262-E266 VanDerWaalsContact O-N 3.1Å |
| 267 | L | 64.9 | Low | 66.6 | Low | 135 Ų | 135 | 127.8 Ų | 127.8 | 71% | 0.707 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -3.2 | 179.1 | -75 | 165.2 | 0 | 0 | 0 | 113.5 | R263 A264 S265 | R263-L267 HydrophobicContact CG-CD1 4.46Å; R263-L267 WeakPolarHBondContact O-CD1 3.32Å; R263-L267 WeakPolarHBondContact O-CG 3.32Å; A264-L267 PolarHBondContact O-N 3.15Å; S265-L267 PolarHBondContact O-N 3.25Å |
| 268 | L | 57.2 | Low | 64.9 | Low | 133 Ų | 133 | 131.3 Ų | 131.3 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -82.7 | 118.2 | 170.1 | -71.6 | 168.6 | 0 | 0 | 0 | 108.3 | E270 | L268-E270 PolarHBondContact O-N 2.99Š|
| 269 | P | 54.4 | Low | 63.2 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 71% | 0.714 | S | S | * | * | trans | -66.7 | 134.6 | 173.8 | 7.8 | 2.9 | 0 | 0 | 0 | 108.7 | G271 | P269-G271 PolarHBondContact O-N 3.45Š| ||
| 270 | E | 53 | Low | 61.8 | Low | 199 Ų | 199 | 140.6 Ų | 140.6 | 93% | 0.93 | 75% | 0.751 | S | S | * | * | trans | -56.4 | 102.8 | 163.9 | -73.6 | -171.6 | 147.9 | 0 | 0 | 108 | L268 Q272 | L268-E270 PolarHBondContact O-N 2.99Å; E270-Q272 PolarHBondContact O-N 3.1Å | ||
| 271 | G | 48.5 | Very low | 60.5 | Low | 71 Ų | 71 | 137.9 Ų | 137.9 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | -65.2 | 105.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | P269 | P269-G271 PolarHBondContact O-N 3.45Š| ||
| 272 | Q | 45.1 | Very low | 59.3 | Low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | 29.4 | 102.5 | 152.3 | -83.5 | 153.4 | 4.3 | 0 | 0 | 115.5 | E270 G274 | E270-Q272 PolarHBondContact O-N 3.1Å; Q272-G274 VanDerWaalsContact C-N 3.33Å; Q272-G274 PolarHBondContact O-N 2.82Å | ||
| 273 | H | 46.2 | Very low | 58 | Low | 193 Ų | 193 | 138.3 Ų | 138.3 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | trans | -47 | 104.2 | 145.3 | -119.2 | -44 | 0 | 0 | 0 | 107.8 | D275 | H273-D275 VanDerWaalsContact C-N 3.28Å; H273-D275 PolarHBondContact O-N 3.22Å | ||
| 274 | G | 48.1 | Very low | 56.7 | Low | 60 Ų | 60 | 135.7 Ų | 135.7 | 62% | 0.619 | 77% | 0.773 | S | S | * | * | trans | -66.5 | 96.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | Q272 D276 | Q272-G274 VanDerWaalsContact C-N 3.33Å; Q272-G274 PolarHBondContact O-N 2.82Å; G274-D276 PolarHBondContact O-N 2.93Å | ||
| 275 | D | 53.5 | Low | 55.4 | Low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -63.8 | 87.6 | 160.4 | -178.2 | 46 | 0 | 0 | 0 | 107.2 | H273 G277 | H273-D275 VanDerWaalsContact C-N 3.28Å; H273-D275 PolarHBondContact O-N 3.22Å; D275-G277 PolarHBondContact O-N 3.21Å; D275-G277 VanDerWaalsContact O-N 3.1Å | ||
| 276 | D | 51.3 | Low | 54 | Low | 161 Ų | 161 | 145.2 Ų | 145.2 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -78.8 | 81.7 | 160.4 | -78.2 | -29.2 | 0 | 0 | 0 | 106.2 | G274 | G274-D276 PolarHBondContact O-N 2.93Š| ||
| 277 | G | 51.9 | Low | 52.8 | Low | 55 Ų | 55 | 144.2 Ų | 144.2 | 57% | 0.567 | 82% | 0.816 | S | S | * | * | trans | -62.5 | 131.2 | 164 | 0 | 0 | 0 | 0 | 0 | 109.8 | D275 | D275-G277 PolarHBondContact O-N 3.21Å; D275-G277 VanDerWaalsContact O-N 3.1Å | ||
| 278 | D | 57 | Low | 51.9 | Low | 163 Ų | 163 | 144.9 Ų | 144.9 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | trans | -46 | 136.3 | 163.6 | -74.8 | -46.4 | 0 | 0 | 0 | 111.2 | ||||
| 279 | D | 54.3 | Low | 51.5 | Low | 163 Ų | 163 | 145.9 Ų | 145.9 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | trans | -153.4 | 117.6 | 144.6 | -115.2 | -21.1 | 0 | 0 | 0 | 110.3 | ||||
| 280 | D | 54.3 | Low | 51.2 | Low | 236 Ų | 236 | 148.7 Ų | 148.7 | 100% | 1.262 | 84% | 0.843 | S | S | * | * | trans | 46.5 | 0 | 163.9 | -95.9 | -12.2 | 0 | 0 | 0 | 122.2 |
Retrieved 280 of 280 residues in 187.2 ms
(Link to these results)