| 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 | 45.5 | Very low | 39.9 | Very low | 253 Ų | 253 | 143.9 Ų | 143.9 | 100% | 1.246 | 84% | 0.842 | S | S | * | * | 0 | 95.3 | 0 | -86.7 | 178.5 | 163.7 | 0 | 0 | 107.7 | |||||
| 2 | A | 40.3 | Very low | 39.4 | Very low | 89 Ų | 89 | 137.4 Ų | 137.4 | 74% | 0.736 | 83% | 0.828 | S | S | * | * | trans | -169.4 | 137.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | D | 40.6 | Very low | 39.5 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 73% | 0.733 | 83% | 0.831 | S | S | * | * | trans | 74.5 | 119.4 | 147.5 | -69.1 | -57.4 | 0 | 0 | 0 | 124.2 | ||||
| 4 | R | 43.4 | Very low | 39.3 | Very low | 233 Ų | 233 | 139.5 Ų | 139.5 | 88% | 0.879 | 83% | 0.834 | S | S | * | * | trans | 52.2 | 117.9 | 130.2 | -72.6 | 177.5 | 167 | 170.5 | -2 | 119.5 | ||||
| 5 | D | 41.2 | Very low | 39.2 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | trans | -126.3 | 143.9 | 155.7 | -154.6 | 3.7 | 0 | 0 | 0 | 111.5 | ||||
| 6 | S | 45.1 | Very low | 39 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -115.8 | 144.7 | -165.5 | -69.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 7 | G | 35.5 | Very low | 39.1 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | trans | 79.4 | 110.8 | 150.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 8 | S | 41.1 | Very low | 39 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | 55 | 129 | 82.6 | 69.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 9 | D | 35.6 | Very low | 39 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | cis | -169.4 | 172.9 | 40.2 | -150.4 | -13.7 | 0 | 0 | 0 | 112.4 | ||||
| 10 | H | 38.6 | Very low | 39.5 | Very low | 180 Ų | 180 | 128.9 Ų | 128.9 | 83% | 0.833 | 81% | 0.813 | S | S | * | * | trans | -69.3 | 138.4 | -163 | -67.4 | 50.1 | 0 | 0 | 0 | 116.5 | ||||
| 11 | G | 32.4 | Very low | 39.8 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 92% | 0.918 | 80% | 0.803 | S | S | * | * | trans | -120.7 | 99.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 12 | G | 33.2 | Very low | 39.7 | Very low | 66 Ų | 66 | 122.1 Ų | 122.1 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | -143.5 | 153.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 13 | P | 40.7 | Very low | 39.8 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -84.9 | 147.5 | -131.5 | 31.3 | -35.3 | 0 | 0 | 0 | 115.6 | ||||
| 14 | I | 37.2 | Very low | 39.9 | Very low | 170 Ų | 170 | 116.7 Ų | 116.7 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -71.8 | 136.6 | 171 | -66.1 | 170.6 | 0 | 0 | 0 | 109.8 | ||||
| 15 | A | 37.5 | Very low | 39.8 | Very low | 91 Ų | 91 | 114.4 Ų | 114.4 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -45.4 | 137 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 16 | G | 35.4 | Very low | 39.6 | Very low | 62 Ų | 62 | 108.3 Ų | 108.3 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 157.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G18 | G16-G18 PolarHBondContact O-N 3.26Š|
| 17 | P | 41.8 | Very low | 39.2 | Very low | 133 Ų | 133 | 106.2 Ų | 106.2 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 125.5 | -177.9 | 28.7 | -31.2 | 0 | 0 | 0 | 109.5 | S19 | P17-S19 PolarHBondContact O-N 2.98Š|
| 18 | G | 36.1 | Very low | 39.3 | Very low | 67 Ų | 67 | 110.6 Ų | 110.6 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 134.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | G16 L20 | G16-G18 PolarHBondContact O-N 3.26Å; G18-L20 PolarHBondContact O-N 2.96Å |
| 19 | S | 40.5 | Very low | 39.1 | Very low | 124 Ų | 124 | 107.7 Ų | 107.7 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | trans | -45.1 | 111.2 | 162.3 | 15.6 | 0 | 0 | 0 | 0 | 110.9 | P17 | P17-S19 PolarHBondContact O-N 2.98Š| ||
| 20 | L | 47.8 | Very low | 39.2 | Very low | 147 Ų | 147 | 110.6 Ų | 110.6 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | trans | -61.1 | 137.4 | 168.3 | -75.7 | 150.4 | 0 | 0 | 0 | 109.6 | G18 | G18-L20 PolarHBondContact O-N 2.96Š| ||
| 21 | P | 46.2 | Very low | 39.3 | Very low | 93 Ų | 93 | 108.9 Ų | 108.9 | 60% | 0.604 | 72% | 0.718 | S | S | * | * | trans | -63.8 | 141.2 | 175.9 | 25 | -31.4 | 0 | 0 | 0 | 110.6 | G23 | P21-G23 PolarHBondContact O-N 3.02Š| ||
| 22 | P | 43.2 | Very low | 39.8 | Very low | 147 Ų | 147 | 112 Ų | 112 | 96% | 0.955 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 80.5 | 178.1 | 30.5 | -32.2 | 0 | 0 | 0 | 109.1 | ||
| 23 | G | 43.1 | Very low | 40.4 | Very low | 56 Ų | 56 | 116.1 Ų | 116.1 | 58% | 0.577 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.9 | -22.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | P21 G26 | P21-G23 PolarHBondContact O-N 3.02Å; G23-G26 PolarHBondContact O-N 3.5Å |
| 24 | A | 41.7 | Very low | 41.3 | Very low | 57 Ų | 57 | 115 Ų | 115 | 47% | 0.471 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -75.1 | -24.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | G26 | A24-G26 VanDerWaalsContact C-N 3.33Å |
| 25 | M | 42.5 | Very low | 43.2 | Very low | 184 Ų | 184 | 109.3 Ų | 109.3 | 91% | 0.906 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.5 | -18.2 | 174.8 | -99.3 | -177.8 | 154.8 | 0 | 0 | 113.6 | ||
| 26 | G | 35.6 | Very low | 45.6 | Very low | 40 Ų | 40 | 111 Ų | 111 | 41% | 0.412 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -79.3 | -23.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G23 A24 S29 R30 | G23-G26 PolarHBondContact O-N 3.5Å; A24-G26 VanDerWaalsContact C-N 3.33Å; G26-S29 PolarHBondContact O-N 3.06Å; G26-R30 PolarHBondContact O-N 2.91Å |
| 27 | A | 38.4 | Very low | 48.3 | Very low | 66 Ų | 66 | 112.7 Ų | 112.7 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -76.1 | -28.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 28 | M | 36.3 | Very low | 50.7 | Low | 156 Ų | 156 | 108.5 Ų | 108.5 | 77% | 0.768 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -17.7 | 174.5 | -71.7 | -161.4 | -104.5 | 0 | 0 | 113.4 | ||
| 29 | S | 37.8 | Very low | 53.5 | Low | 57 Ų | 57 | 106.1 Ų | 106.1 | 40% | 0.399 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | -33 | 176.6 | -172.4 | 0 | 0 | 0 | 0 | 112.6 | G26 L31 Q32 | G26-S29 PolarHBondContact O-N 3.06Å; S29-L31 VanDerWaalsContact C-N 3.26Å; S29-L31 PolarHBondContact O-N 3.29Å; S29-Q32 PolarHBondContact O-N 2.89Å |
| 30 | R | 37.5 | Very low | 56.1 | Low | 203 Ų | 203 | 103.1 Ų | 103.1 | 77% | 0.766 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -23.8 | -178.3 | -83 | -171.7 | -179.4 | 167.9 | 1.3 | 115.3 | G26 Q32 | G26-R30 PolarHBondContact O-N 2.91Å; R30-Q32 VanDerWaalsContact C-N 3.32Å |
| 31 | L | 39.8 | Very low | 58.5 | Low | 145 Ų | 145 | 101.1 Ų | 101.1 | 76% | 0.759 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -12.1 | 176.1 | -73.5 | 167.8 | 0 | 0 | 0 | 113.9 | S29 | S29-L31 VanDerWaalsContact C-N 3.26Å; S29-L31 PolarHBondContact O-N 3.29Å |
| 32 | Q | 44.2 | Very low | 60.9 | Low | 153 Ų | 153 | 101.6 Ų | 101.6 | 72% | 0.715 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -19.1 | 175.3 | -77.6 | 177.6 | 33.5 | 0 | 0 | 113 | S29 R30 D34 | S29-Q32 PolarHBondContact O-N 2.89Å; R30-Q32 VanDerWaalsContact C-N 3.32Å; Q32-D34 PolarHBondContact O-N 3.49Å |
| 33 | H | 45.2 | Very low | 63.4 | Low | 153 Ų | 153 | 94.7 Ų | 94.7 | 71% | 0.708 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -7.5 | -175.8 | -77.1 | -70.6 | 0 | 0 | 0 | 115.3 | ||
| 34 | D | 59.6 | Low | 65.9 | Low | 111 Ų | 111 | 95.7 Ų | 95.7 | 59% | 0.594 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 8.9 | 177.4 | -83.8 | -13.5 | 0 | 0 | 0 | 113.6 | Q32 N57 | Q32-D34 PolarHBondContact O-N 3.49Å; D34-N57 WeakPolarHBondContact O-CA 3.4Å |
| 35 | T | 76.5 | Confident | 68.4 | Low | 50 Ų | 50 | 93.3 Ų | 93.3 | 31% | 0.307 | 48% | 0.478 | S | S | . | . | trans | -115.9 | 107.6 | 178.7 | -55.9 | 0 | 0 | 0 | 0 | 110.1 | K55 Q56 N57 F62 | T35-K55 HydrophobicContact CG2-CB 3.75Å; T35-K55 HydrophobicContact CG2-CD 4.02Å; T35-K55 HydrophobicContact CG2-CG 4.38Å; T35-Q56 CarbonylContact C-O 3.45Å; T35-Q56 WeakPolarHBondContact CA-O 3.39Å; T35-N57 HydrophobicContact CG2-CB 4.44Å; T35-F62 HydrophobicContact CG2-CE1 4.01Å; T35-F62 HydrophobicContact CG2-CZ 3.81Å | ||
| 36 | E | 87.8 | Confident | 70.7 | Confident | 127 Ų | 127 | 89.4 Ų | 89.4 | 59% | 0.593 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 139.4 | 173.9 | -173.3 | 176 | -176.1 | 0 | 0 | 110 | L38 K55 Q56 | E36-L38 HydrophobicContact CG-CD2 4.23Å; E36-K55 CarbonylContact O-C 3.52Å; E36-K55 WeakPolarHBondContact O-CA 3.41Å; E36-Q56 PolarHBondContact N-O 3.15Å; E36-Q56 PolarHBondContact O-N 3.5Å |
| 37 | E | 93 | Very high | 73.2 | Confident | 97 Ų | 97 | 93 Ų | 93 | 45% | 0.453 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 116.4 | 171.8 | -174.2 | 171.5 | 121 | 0 | 0 | 108.8 | S40 K55 | E37-S40 WeakPolarHBondContact OE1-CB 3.36Å; E37-K55 HydrophobicContact CB-CG 4.47Å; E37-K55 HydrophobicContact CG-CG 4.41Å; E37-K55 WeakPolarHBondContact OE2-CE 3.43Å; E37-K55 IonicContact OE2-NZ 2.84Å; E37-K55 PolarHBondContact OE2-NZ 2.91Å |
| 38 | L | 91.4 | Very high | 75.8 | Confident | 45 Ų | 45 | 91.5 Ų | 91.5 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -40.2 | -177.2 | -59.6 | -179.1 | 0 | 0 | 0 | 111.5 | E36 V54 Q56 R61 Y183 | E36-L38 HydrophobicContact CG-CD2 4.23Å; L38-V54 HydrophobicContact CB-CG1 4.3Å; L38-V54 HydrophobicContact CD1-CG1 4.19Å; L38-V54 PolarHBondContact N-O 3.08Å; L38-Q56 HydrophobicContact CD1-CB 3.93Å; L38-Q56 HydrophobicContact CD2-CB 4.36Å; L38-Q56 HydrophobicContact CG-CB 4.11Å; L38-R61 HydrophobicContact CD1-CG 4.11Å; L38-Y183 HydrophobicContact CB-CD1 3.96Å; L38-Y183 HydrophobicContact CB-CE1 3.92Å; L38-Y183 HydrophobicContact CD1-CD1 4.18Å |
| 39 | A | 95 | Very high | 78.7 | Confident | 17 Ų | 17 | 90.1 Ų | 90.1 | 14% | 0.14 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 150 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D53 V54 L179 Y183 | A39-D53 CarbonylContact O-C 3.58Å; A39-D53 WeakPolarHBondContact O-CA 3.45Å; A39-V54 HydrophobicContact CB-CB 4.31Å; A39-V54 PolarHBondContact N-O 3.41Å; A39-V54 PolarHBondContact O-N 3.4Å; A39-L179 HydrophobicContact CB-CD2 3.85Å; A39-Y183 HydrophobicContact CB-CD2 4Å; A39-Y183 HydrophobicContact CB-CE1 4.32Å; A39-Y183 HydrophobicContact CB-CE2 3.42Å; A39-Y183 VanDerWaalsContact CB-CE2 3.42Å |
| 40 | S | 95.8 | Very high | 81.5 | Confident | 62 Ų | 62 | 87.4 Ų | 87.4 | 43% | 0.434 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 131.1 | 168.5 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | E37 L52 D53 | E37-S40 WeakPolarHBondContact OE1-CB 3.36Å; S40-L52 WeakPolarHBondContact CA-O 3.36Å; S40-D53 WeakPolarHBondContact CB-OD1 3.48Å; S40-D53 PolarHBondContact OG-OD1 3.48Å |
| 41 | K | 96.9 | Very high | 84.4 | Confident | 104 Ų | 104 | 80.9 Ų | 80.9 | 45% | 0.452 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.3 | 174.2 | -177.4 | 64.1 | 175.9 | -177.4 | 0 | 109.3 | V43 L52 A175 L179 | K41-V43 HydrophobicContact CG-CG2 4.4Å; K41-L52 HydrophobicContact CB-CB 4.41Å; K41-L52 PolarHBondContact N-O 3.16Å; K41-L52 PolarHBondContact O-N 3.36Å; K41-A175 HydrophobicContact CG-CB 3.98Å; K41-L179 HydrophobicContact CB-CD1 4.04Å; K41-L179 HydrophobicContact CB-CD2 4.47Å; K41-L179 HydrophobicContact CB-CG 4.49Å |
| 42 | R | 96.7 | Very high | 87.1 | Confident | 104 Ų | 104 | 74 Ų | 74 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 136.4 | 171.7 | -179.1 | 175.3 | 164.9 | -169.6 | -17.1 | 110.5 | D44 F50 Y51 | R42-D44 IonicContact CZ-OD1 2.82Å; R42-D44 IonicContact CZ-OD2 3.6Å; R42-D44 IonicContact NE-OD1 2.67Å; R42-D44 PolarHBondContact NE-OD1 3.08Å; R42-D44 IonicContact NE-OD2 3.51Å; R42-D44 PolarHBondContact NE-OD2 3.15Å; R42-D44 IonicContact NH2-OD1 3.34Å; R42-D44 PolarHBondContact NH2-OD1 3.4Å; R42-D44 IonicContact NH2-OD2 3.64Å; R42-D44 PolarHBondContact NH2-OD2 3.43Å; R42-F50 CarbonylContact C-O 3.6Å; R42-F50 VanDerWaalsContact CA-O 3.3Å; R42-F50 WeakPolarHBondContact CA-O 3.41Å; R42-Y51 HydrophobicContact CB-CD1 4.27Å; R42-Y51 HydrophobicContact CB-CE1 4.3Å; R42-Y51 HydrophobicContact CG-CD1 4.35Å; R42-Y51 HydrophobicContact CG-CE1 4.07Å |
| 43 | V | 96.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 120 | 174.8 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | K41 I45 F50 L52 E171 A175 | K41-V43 HydrophobicContact CG-CG2 4.4Å; V43-I45 HydrophobicContact CG1-CD1 3.93Å; V43-I45 HydrophobicContact CG1-CG1 3.8Å; V43-F50 HydrophobicContact CB-CB 4.42Å; V43-F50 PolarHBondContact N-O 2.85Å; V43-F50 PolarHBondContact O-N 3.24Å; V43-L52 HydrophobicContact CG2-CD1 4.06Å; V43-E171 HydrophobicContact CG1-CB 4.29Å; V43-E171 HydrophobicContact CG1-CG 3.79Å; V43-A175 HydrophobicContact CG2-CB 3.7Å |
| 44 | D | 95.1 | Very high | 92 | Very high | 78 Ų | 78 | 60.3 Ų | 60.3 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 114.8 | -178.9 | -74.1 | -19.3 | 0 | 0 | 0 | 109.2 | R42 R49 | R42-D44 IonicContact CZ-OD1 2.82Å; R42-D44 IonicContact CZ-OD2 3.6Å; R42-D44 IonicContact NE-OD1 2.67Å; R42-D44 PolarHBondContact NE-OD1 3.08Å; R42-D44 IonicContact NE-OD2 3.51Å; R42-D44 PolarHBondContact NE-OD2 3.15Å; R42-D44 IonicContact NH2-OD1 3.34Å; R42-D44 PolarHBondContact NH2-OD1 3.4Å; R42-D44 IonicContact NH2-OD2 3.64Å; R42-D44 PolarHBondContact NH2-OD2 3.43Å; D44-R49 WeakPolarHBondContact OD1-CB 3.39Å; D44-R49 VanDerWaalsContact OD1-CG 3.28Å; D44-R49 WeakPolarHBondContact OD1-CG 3.39Å |
| 45 | I | 94.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 112.5 | -175.6 | -52.5 | 169.9 | 0 | 0 | 0 | 108.5 | V43 N47 K48 F50 P165 F172 | V43-I45 HydrophobicContact CG1-CD1 3.93Å; V43-I45 HydrophobicContact CG1-CG1 3.8Å; I45-N47 PolarHBondContact O-N 3.49Å; I45-K48 PolarHBondContact N-O 2.98Å; I45-K48 PolarHBondContact O-N 2.93Å; I45-F50 HydrophobicContact CB-CD2 4.41Å; I45-F50 HydrophobicContact CB-CE2 4.18Å; I45-F50 HydrophobicContact CD1-CD2 3.84Å; I45-F50 HydrophobicContact CD1-CE2 3.94Å; I45-F50 HydrophobicContact CG1-CD2 4.21Å; I45-F50 HydrophobicContact CG1-CE2 4.37Å; I45-P165 HydrophobicContact CB-CG 4.43Å; I45-P165 HydrophobicContact CG2-CB 3.73Å; I45-P165 HydrophobicContact CG2-CG 3.71Å; I45-F172 HydrophobicContact CD1-CB 4.34Å; I45-F172 HydrophobicContact CD1-CD2 4.31Å |
| 46 | Q | 90.3 | Very high | 94.1 | Very high | 102 Ų | 102 | 57.8 Ų | 57.8 | 48% | 0.477 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | -124.2 | -172.9 | -57.1 | 177.6 | -14.3 | 0 | 0 | 110.8 | K48 P165 | Q46-K48 VanDerWaalsContact C-N 3.32Å; Q46-P165 HydrophobicContact CG-CB 4.23Å; Q46-P165 HydrophobicContact CG-CG 4.38Å |
| 47 | N | 89.3 | Confident | 93.7 | Very high | 116 Ų | 116 | 53.7 Ų | 53.7 | 62% | 0.62 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 22.7 | 178.8 | -57.7 | -20.4 | 0 | 0 | 0 | 112.5 | I45 A70 | I45-N47 PolarHBondContact O-N 3.49Å; N47-A70 HydrophobicContact CB-CB 4.02Å; N47-A70 PolarHBondContact O-N 3.04Å; N47-A70 VanDerWaalsContact O-N 3.17Å |
| 48 | K | 93.8 | Very high | 92.6 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 15% | 0.152 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.9 | 178.1 | -61.7 | -171 | 178.8 | -166.3 | 0 | 110.5 | I45 Q46 F50 E67 V68 A163 P165 | I45-K48 PolarHBondContact N-O 2.98Å; I45-K48 PolarHBondContact O-N 2.93Å; Q46-K48 VanDerWaalsContact C-N 3.32Å; K48-F50 HydrophobicContact CB-CD2 4.47Å; K48-F50 HydrophobicContact CB-CE2 3.73Å; K48-F50 HydrophobicContact CB-CZ 4.19Å; K48-F50 HydrophobicContact CD-CE2 4.32Å; K48-F50 HydrophobicContact CD-CZ 4.02Å; K48-E67 HydrophobicContact CD-CG 4.28Å; K48-E67 WeakPolarHBondContact CD-OE1 3.34Å; K48-E67 VanDerWaalsContact CE-OE1 3.29Å; K48-E67 WeakPolarHBondContact CE-OE1 3.4Å; K48-E67 IonicContact NZ-OE1 3.22Å; K48-E67 PolarHBondContact NZ-OE1 2.9Å; K48-V68 WeakPolarHBondContact CA-O 3.31Å; K48-A163 PolarHBondContact NZ-O 2.96Å; K48-P165 HydrophobicContact CD-CG 4.41Å |
| 49 | R | 95.7 | Very high | 91.5 | Very high | 126 Ų | 126 | 59.5 Ų | 59.5 | 48% | 0.475 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126 | 175.7 | -51.9 | -179.2 | 175 | 166.9 | 0 | 108.6 | D44 Y51 V68 | D44-R49 WeakPolarHBondContact OD1-CB 3.39Å; D44-R49 VanDerWaalsContact OD1-CG 3.28Å; D44-R49 WeakPolarHBondContact OD1-CG 3.39Å; R49-Y51 HydrophobicContact CB-CE2 4.05Å; R49-V68 HydrophobicContact CB-CB 4.42Å; R49-V68 PolarHBondContact N-O 3.2Å; R49-V68 PolarHBondContact O-N 2.79Å |
| 50 | F | 97.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.6 | 176.5 | -64.2 | -90.3 | 0 | 0 | 0 | 109.5 | R42 V43 I45 K48 L52 A66 E67 L164 F172 | R42-F50 CarbonylContact C-O 3.6Å; R42-F50 VanDerWaalsContact CA-O 3.3Å; R42-F50 WeakPolarHBondContact CA-O 3.41Å; V43-F50 HydrophobicContact CB-CB 4.42Å; V43-F50 PolarHBondContact N-O 2.85Å; V43-F50 PolarHBondContact O-N 3.24Å; I45-F50 HydrophobicContact CB-CD2 4.41Å; I45-F50 HydrophobicContact CB-CE2 4.18Å; I45-F50 HydrophobicContact CD1-CD2 3.84Å; I45-F50 HydrophobicContact CD1-CE2 3.94Å; I45-F50 HydrophobicContact CG1-CD2 4.21Å; I45-F50 HydrophobicContact CG1-CE2 4.37Å; K48-F50 HydrophobicContact CB-CD2 4.47Å; K48-F50 HydrophobicContact CB-CE2 3.73Å; K48-F50 HydrophobicContact CB-CZ 4.19Å; K48-F50 HydrophobicContact CD-CE2 4.32Å; K48-F50 HydrophobicContact CD-CZ 4.02Å; F50-L52 HydrophobicContact CB-CD1 4.1Å; F50-A66 CarbonylContact C-O 3.52Å; F50-A66 VanDerWaalsContact CA-O 3.25Å; F50-A66 WeakPolarHBondContact CA-O 3.49Å; F50-E67 HydrophobicContact CD1-CB 3.99Å; F50-E67 HydrophobicContact CD1-CG 4.29Å; F50-E67 HydrophobicContact CE1-CB 3.69Å; F50-E67 HydrophobicContact CE1-CG 3.63Å; F50-E67 HydrophobicContact CZ-CG 3.96Å; F50-L164 HydrophobicContact CD1-CD1 4.45Å; F50-L164 HydrophobicContact CE1-CD1 3.73Å; F50-L164 HydrophobicContact CE1-CG 3.93Å; F50-L164 HydrophobicContact CZ-CB 4.5Å; F50-L164 HydrophobicContact CZ-CD1 4.17Å; F50-L164 HydrophobicContact CZ-CG 3.98Å; F50-F172 HydrophobicContact CB-CD2 4.35Å; F50-F172 HydrophobicContact CB-CE2 3.92Å; F50-F172 HydrophobicContact CD1-CE2 4.04Å; F50-F172 HydrophobicContact CG-CD2 4.35Å; F50-F172 HydrophobicContact CG-CE2 4.02Å |
| 51 | Y | 97.6 | Very high | 90.3 | Very high | 67 Ų | 67 | 60.7 Ų | 60.7 | 26% | 0.263 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 121.3 | 172.9 | -59.7 | -95.8 | 0 | 0 | 0 | 108 | R42 R49 I65 A66 V68 | R42-Y51 HydrophobicContact CB-CD1 4.27Å; R42-Y51 HydrophobicContact CB-CE1 4.3Å; R42-Y51 HydrophobicContact CG-CD1 4.35Å; R42-Y51 HydrophobicContact CG-CE1 4.07Å; R49-Y51 HydrophobicContact CB-CE2 4.05Å; Y51-I65 CarbonylContact O-C 3.49Å; Y51-I65 VanDerWaalsContact O-CA 3.31Å; Y51-I65 WeakPolarHBondContact O-CA 3.49Å; Y51-A66 PolarHBondContact N-O 3.06Å; Y51-A66 PolarHBondContact O-N 3.43Å; Y51-V68 HydrophobicContact CD2-CG2 4.19Å; Y51-V68 HydrophobicContact CE2-CG2 3.87Å |
| 52 | L | 97.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 98.9 | 177.5 | -72.3 | 71.9 | 0 | 0 | 0 | 106.7 | S40 K41 V43 F50 L63 I65 F172 A175 L176 L179 | S40-L52 WeakPolarHBondContact CA-O 3.36Å; K41-L52 HydrophobicContact CB-CB 4.41Å; K41-L52 PolarHBondContact N-O 3.16Å; K41-L52 PolarHBondContact O-N 3.36Å; V43-L52 HydrophobicContact CG2-CD1 4.06Å; F50-L52 HydrophobicContact CB-CD1 4.1Å; L52-L63 HydrophobicContact CB-CD1 4.25Å; L52-I65 HydrophobicContact CG-CG1 4.49Å; L52-F172 HydrophobicContact CD1-CD2 4.3Å; L52-F172 HydrophobicContact CD1-CE2 3.65Å; L52-F172 HydrophobicContact CD1-CZ 3.97Å; L52-F172 HydrophobicContact CD2-CE1 4.18Å; L52-F172 HydrophobicContact CD2-CE2 4.36Å; L52-F172 HydrophobicContact CD2-CZ 3.99Å; L52-F172 HydrophobicContact CG-CE2 4.28Å; L52-F172 HydrophobicContact CG-CZ 4.08Å; L52-A175 HydrophobicContact CD2-CB 4.43Å; L52-L176 HydrophobicContact CD2-CB 4.33Å; L52-L179 HydrophobicContact CB-CD1 3.65Å; L52-L179 HydrophobicContact CD2-CD1 4.12Å |
| 53 | D | 96.9 | Very high | 90 | Very high | 18 Ų | 18 | 52.4 Ų | 52.4 | 10% | 0.096 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.7 | -178.4 | -46.4 | -40.9 | 0 | 0 | 0 | 109.5 | A39 S40 K55 K64 | A39-D53 CarbonylContact O-C 3.58Å; A39-D53 WeakPolarHBondContact O-CA 3.45Å; S40-D53 WeakPolarHBondContact CB-OD1 3.48Å; S40-D53 PolarHBondContact OG-OD1 3.48Å; D53-K55 HydrophobicContact CB-CD 4.39Å; D53-K55 VanDerWaalsContact CB-CE 3.43Å; D53-K55 HydrophobicContact CB-CG 4.16Å; D53-K64 HydrophobicContact CB-CB 4.46Å; D53-K64 PolarHBondContact N-O 3.45Å; D53-K64 PolarHBondContact O-N 3.22Å |
| 54 | V | 95.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 119.7 | 167.6 | -178 | 0 | 0 | 0 | 0 | 107.5 | L38 A39 R61 L63 L179 Y183 | L38-V54 HydrophobicContact CB-CG1 4.3Å; L38-V54 HydrophobicContact CD1-CG1 4.19Å; L38-V54 PolarHBondContact N-O 3.08Å; A39-V54 HydrophobicContact CB-CB 4.31Å; A39-V54 PolarHBondContact N-O 3.41Å; A39-V54 PolarHBondContact O-N 3.4Å; V54-R61 HydrophobicContact CG1-CG 3.71Å; V54-L63 HydrophobicContact CG2-CD1 3.83Å; V54-L179 HydrophobicContact CG2-CB 4.03Å; V54-L179 HydrophobicContact CG2-CD1 4.19Å; V54-L179 HydrophobicContact CG2-CD2 3.94Å; V54-L179 HydrophobicContact CG2-CG 4.28Å; V54-Y183 HydrophobicContact CG1-CG 4.24Å |
| 55 | K | 93.8 | Very high | 90 | Very high | 34 Ų | 34 | 51.7 Ų | 51.7 | 15% | 0.148 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 150.5 | -177.4 | -61.3 | -172.3 | -176.9 | -109.8 | 0 | 110.3 | T35 E36 E37 D53 R61 F62 | T35-K55 HydrophobicContact CG2-CB 3.75Å; T35-K55 HydrophobicContact CG2-CD 4.02Å; T35-K55 HydrophobicContact CG2-CG 4.38Å; E36-K55 CarbonylContact O-C 3.52Å; E36-K55 WeakPolarHBondContact O-CA 3.41Å; E37-K55 HydrophobicContact CB-CG 4.47Å; E37-K55 HydrophobicContact CG-CG 4.41Å; E37-K55 WeakPolarHBondContact OE2-CE 3.43Å; E37-K55 IonicContact OE2-NZ 2.84Å; E37-K55 PolarHBondContact OE2-NZ 2.91Å; D53-K55 HydrophobicContact CB-CD 4.39Å; D53-K55 VanDerWaalsContact CB-CE 3.43Å; D53-K55 HydrophobicContact CB-CG 4.16Å; K55-R61 CarbonylContact O-C 3.57Å; K55-R61 WeakPolarHBondContact O-CA 3.45Å; K55-F62 HydrophobicContact CB-CD1 4.4Å; K55-F62 HydrophobicContact CB-CD2 4.47Å; K55-F62 HydrophobicContact CB-CE1 3.77Å; K55-F62 HydrophobicContact CB-CE2 3.89Å; K55-F62 HydrophobicContact CB-CZ 3.52Å; K55-F62 HydrophobicContact CD-CE2 4.38Å; K55-F62 HydrophobicContact CD-CZ 4.26Å; K55-F62 HydrophobicContact CG-CZ 4.43Å; K55-F62 PolarHBondContact N-O 3.42Å; K55-F62 WeakPolarHBondContact O-CD1 3.15Å; K55-F62 PolarHBondContact O-N 3.39Å; K55-F62 VanDerWaalsContact O-O 3.13Å |
| 56 | Q | 86.5 | Confident | 90.1 | Very high | 75 Ų | 75 | 52.5 Ų | 52.5 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.3 | 176.8 | -178.3 | 163.5 | -23.9 | 0 | 0 | 109.3 | T35 E36 L38 | T35-Q56 CarbonylContact C-O 3.45Å; T35-Q56 WeakPolarHBondContact CA-O 3.39Å; E36-Q56 PolarHBondContact N-O 3.15Å; E36-Q56 PolarHBondContact O-N 3.5Å; L38-Q56 HydrophobicContact CD1-CB 3.93Å; L38-Q56 HydrophobicContact CD2-CB 4.36Å; L38-Q56 HydrophobicContact CG-CB 4.11Å |
| 57 | N | 79.6 | Confident | 90.4 | Very high | 40 Ų | 40 | 48.4 Ų | 48.4 | 21% | 0.214 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | -178.1 | 170.8 | 65.2 | 26.9 | 0 | 0 | 0 | 109.6 | D34 T35 K59 G60 F62 | D34-N57 WeakPolarHBondContact O-CA 3.4Å; T35-N57 HydrophobicContact CG2-CB 4.44Å; N57-K59 PolarHBondContact O-N 2.96Å; N57-K59 WeakPolarHBondContact OD1-CA 3.44Å; N57-K59 VanDerWaalsContact OD1-CB 3.24Å; N57-K59 WeakPolarHBondContact OD1-CB 3.5Å; N57-K59 PolarHBondContact OD1-N 3.35Å; N57-G60 PolarHBondContact N-O 3.43Å; N57-G60 VanDerWaalsContact N-O 3.08Å; N57-G60 PolarHBondContact O-N 3.25Å; N57-G60 PolarHBondContact OD1-N 3.08Å; N57-G60 PolarHBondContact OD1-O 3.07Å; N57-F62 HydrophobicContact CB-CE1 4.2Å; N57-F62 WeakPolarHBondContact ND2-CE1 3.49Å |
| 58 | V | 69.7 | Low | 90.6 | Very high | 110 Ų | 110 | 44.7 Ų | 44.7 | 67% | 0.667 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -14.9 | 177.3 | -59.4 | 0 | 0 | 0 | 0 | 115 | ||
| 59 | K | 66.9 | Low | 90.3 | Very high | 155 Ų | 155 | 43.8 Ų | 43.8 | 67% | 0.674 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -7.6 | 176.5 | -55.3 | -179.5 | -179.3 | 174.4 | 0 | 112.8 | N57 K213 | N57-K59 PolarHBondContact O-N 2.96Å; N57-K59 WeakPolarHBondContact OD1-CA 3.44Å; N57-K59 VanDerWaalsContact OD1-CB 3.24Å; N57-K59 WeakPolarHBondContact OD1-CB 3.5Å; N57-K59 PolarHBondContact OD1-N 3.35Å; K59-K213 HydrophobicContact CG-CD 4.1Å |
| 60 | G | 77.8 | Confident | 89.4 | Confident | 32 Ų | 32 | 42 Ų | 42 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.4 | -172.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | N57 | N57-G60 PolarHBondContact N-O 3.43Å; N57-G60 VanDerWaalsContact N-O 3.08Å; N57-G60 PolarHBondContact O-N 3.25Å; N57-G60 PolarHBondContact OD1-N 3.08Å; N57-G60 PolarHBondContact OD1-O 3.07Å |
| 61 | R | 88.1 | Confident | 88.3 | Confident | 72 Ų | 72 | 45.2 Ų | 45.2 | 27% | 0.272 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 142.6 | -179.2 | -166.3 | 178.6 | -68.3 | 162.1 | -0.8 | 110.8 | L38 V54 K55 M81 Y183 G184 V185 | L38-R61 HydrophobicContact CD1-CG 4.11Å; V54-R61 HydrophobicContact CG1-CG 3.71Å; K55-R61 CarbonylContact O-C 3.57Å; K55-R61 WeakPolarHBondContact O-CA 3.45Å; R61-M81 HydrophobicContact CB-CG 4.07Å; R61-M81 HydrophobicContact CG-CG 3.98Å; R61-M81 HydrophobicContact CG-SD 4.34Å; R61-Y183 WeakPolarHBondContact CD-O 3.09Å; R61-Y183 VanDerWaalsContact NH1-C 3.3Å; R61-Y183 PolarHBondContact NH1-O 2.94Å; R61-G184 PolarHBondContact NH1-O 2.86Å; R61-V185 HydrophobicContact CB-CG2 4.1Å |
| 62 | F | 92.3 | Very high | 87.3 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 157.2 | -179.9 | 67.3 | -85.9 | 0 | 0 | 0 | 111 | T35 K55 N57 K64 T78 L79 | T35-F62 HydrophobicContact CG2-CE1 4.01Å; T35-F62 HydrophobicContact CG2-CZ 3.81Å; K55-F62 HydrophobicContact CB-CD1 4.4Å; K55-F62 HydrophobicContact CB-CD2 4.47Å; K55-F62 HydrophobicContact CB-CE1 3.77Å; K55-F62 HydrophobicContact CB-CE2 3.89Å; K55-F62 HydrophobicContact CB-CZ 3.52Å; K55-F62 HydrophobicContact CD-CE2 4.38Å; K55-F62 HydrophobicContact CD-CZ 4.26Å; K55-F62 HydrophobicContact CG-CZ 4.43Å; K55-F62 PolarHBondContact N-O 3.42Å; K55-F62 WeakPolarHBondContact O-CD1 3.15Å; K55-F62 PolarHBondContact O-N 3.39Å; K55-F62 VanDerWaalsContact O-O 3.13Å; N57-F62 HydrophobicContact CB-CE1 4.2Å; N57-F62 WeakPolarHBondContact ND2-CE1 3.49Å; F62-K64 HydrophobicContact CE2-CB 4.38Å; F62-T78 HydrophobicContact CD2-CG2 3.6Å; F62-T78 HydrophobicContact CE2-CG2 4.05Å; F62-T78 HydrophobicContact CG-CG2 4.49Å; F62-L79 WeakPolarHBondContact CB-O 3.44Å |
| 63 | L | 95.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.7 | 176.5 | -176.8 | 71.8 | 0 | 0 | 0 | 110 | L52 V54 I65 T78 L79 M81 A84 L176 L179 | L52-L63 HydrophobicContact CB-CD1 4.25Å; V54-L63 HydrophobicContact CG2-CD1 3.83Å; L63-I65 HydrophobicContact CD2-CD1 4.13Å; L63-I65 HydrophobicContact CD2-CG1 4.02Å; L63-I65 HydrophobicContact CG-CG1 4.17Å; L63-T78 WeakPolarHBondContact O-CA 3.37Å; L63-L79 PolarHBondContact N-O 3.06Å; L63-L79 PolarHBondContact O-N 3.45Å; L63-M81 HydrophobicContact CB-SD 4.34Å; L63-A84 HydrophobicContact CD2-CB 4.19Å; L63-L176 HydrophobicContact CD2-CD1 3.28Å; L63-L179 HydrophobicContact CD1-CD1 4.2Å |
| 64 | K | 95.9 | Very high | 86.4 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.8 | 172 | -173.4 | -176.2 | 176.5 | -167.8 | 0 | 109.2 | D53 F62 | D53-K64 HydrophobicContact CB-CB 4.46Å; D53-K64 PolarHBondContact N-O 3.45Å; D53-K64 PolarHBondContact O-N 3.22Å; F62-K64 HydrophobicContact CE2-CB 4.38Å |
| 65 | I | 96.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121 | 176.5 | -55.5 | 165.2 | 0 | 0 | 0 | 107.7 | Y51 L52 L63 R76 L77 L79 F87 I162 F172 | Y51-I65 CarbonylContact O-C 3.49Å; Y51-I65 VanDerWaalsContact O-CA 3.31Å; Y51-I65 WeakPolarHBondContact O-CA 3.49Å; L52-I65 HydrophobicContact CG-CG1 4.49Å; L63-I65 HydrophobicContact CD2-CD1 4.13Å; L63-I65 HydrophobicContact CD2-CG1 4.02Å; L63-I65 HydrophobicContact CG-CG1 4.17Å; I65-R76 CarbonylContact O-C 3.58Å; I65-R76 VanDerWaalsContact O-CA 3.26Å; I65-R76 WeakPolarHBondContact O-CA 3.2Å; I65-L77 HydrophobicContact CB-CB 4.38Å; I65-L77 HydrophobicContact CD1-CD2 4.42Å; I65-L77 PolarHBondContact N-O 2.96Å; I65-L77 PolarHBondContact O-N 3.02Å; I65-L79 HydrophobicContact CD1-CD1 3.75Å; I65-L79 HydrophobicContact CD1-CG 4.35Å; I65-F87 HydrophobicContact CD1-CE1 4.21Å; I65-I162 HydrophobicContact CB-CD1 4.36Å; I65-I162 HydrophobicContact CD1-CD1 4.46Å; I65-I162 HydrophobicContact CG2-CD1 3.74Å; I65-F172 HydrophobicContact CD1-CE1 4.47Å; I65-F172 HydrophobicContact CD1-CZ 4.06Å; I65-F172 HydrophobicContact CG1-CZ 4.4Å; I65-F172 HydrophobicContact CG2-CE2 4.24Å; I65-F172 HydrophobicContact CG2-CZ 3.87Å |
| 66 | A | 96.1 | Very high | 86.2 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F50 Y51 S75 | F50-A66 CarbonylContact C-O 3.52Å; F50-A66 VanDerWaalsContact CA-O 3.25Å; F50-A66 WeakPolarHBondContact CA-O 3.49Å; Y51-A66 PolarHBondContact N-O 3.06Å; Y51-A66 PolarHBondContact O-N 3.43Å; A66-S75 CarbonylContact C-O 3.44Å; A66-S75 WeakPolarHBondContact CA-O 3.37Å |
| 67 | E | 95.3 | Very high | 86.5 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 129.3 | 170.1 | 177.3 | -174 | 158.9 | 0 | 0 | 109 | K48 F50 K74 S75 I162 A163 | K48-E67 HydrophobicContact CD-CG 4.28Å; K48-E67 WeakPolarHBondContact CD-OE1 3.34Å; K48-E67 VanDerWaalsContact CE-OE1 3.29Å; K48-E67 WeakPolarHBondContact CE-OE1 3.4Å; K48-E67 IonicContact NZ-OE1 3.22Å; K48-E67 PolarHBondContact NZ-OE1 2.9Å; F50-E67 HydrophobicContact CD1-CB 3.99Å; F50-E67 HydrophobicContact CD1-CG 4.29Å; F50-E67 HydrophobicContact CE1-CB 3.69Å; F50-E67 HydrophobicContact CE1-CG 3.63Å; F50-E67 HydrophobicContact CZ-CG 3.96Å; E67-K74 WeakPolarHBondContact O-CA 3.36Å; E67-S75 PolarHBondContact N-O 3.44Å; E67-S75 PolarHBondContact O-N 3.42Å; E67-I162 HydrophobicContact CB-CB 4.42Å; E67-I162 HydrophobicContact CB-CG2 4.07Å; E67-I162 VanDerWaalsContact OE2-CA 3.22Å; E67-I162 WeakPolarHBondContact OE2-CA 3.08Å; E67-I162 WeakPolarHBondContact OE2-CB 3.02Å; E67-A163 PolarHBondContact OE2-N 3.04Å |
| 68 | V | 94.7 | Very high | 87.1 | Confident | 37 Ų | 37 | 61.6 Ų | 61.6 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 111.6 | 170.7 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | K48 R49 Y51 K74 | K48-V68 WeakPolarHBondContact CA-O 3.31Å; R49-V68 HydrophobicContact CB-CB 4.42Å; R49-V68 PolarHBondContact N-O 3.2Å; R49-V68 PolarHBondContact O-N 2.79Å; Y51-V68 HydrophobicContact CD2-CG2 4.19Å; Y51-V68 HydrophobicContact CE2-CG2 3.87Å; V68-K74 HydrophobicContact CG2-CG 4.34Å |
| 69 | G | 88.2 | Confident | 88.1 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 17% | 0.165 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 162.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G71 G72 N73 | G69-G71 PolarHBondContact O-N 3.46Å; G69-G71 VanDerWaalsContact O-N 3.11Å; G69-G72 PolarHBondContact O-N 3.35Å; G69-N73 PolarHBondContact N-O 2.95Å |
| 70 | A | 74.8 | Confident | 89.3 | Confident | 88 Ų | 88 | 51.2 Ų | 51.2 | 73% | 0.727 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -31 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N47 G72 | N47-A70 HydrophobicContact CB-CB 4.02Å; N47-A70 PolarHBondContact O-N 3.04Å; N47-A70 VanDerWaalsContact O-N 3.17Å; A70-G72 VanDerWaalsContact C-N 3.28Å; A70-G72 PolarHBondContact O-N 3.29Å |
| 71 | G | 75.4 | Confident | 89.9 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 70% | 0.701 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 12.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G69 N73 | G69-G71 PolarHBondContact O-N 3.46Å; G69-G71 VanDerWaalsContact O-N 3.11Å; G71-N73 PolarHBondContact O-N 3.47Å |
| 72 | G | 76.4 | Confident | 89.9 | Confident | 51 Ų | 51 | 48.4 Ų | 48.4 | 53% | 0.526 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 78 | -3.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | G69 A70 K74 | G69-G72 PolarHBondContact O-N 3.35Å; A70-G72 VanDerWaalsContact C-N 3.28Å; A70-G72 PolarHBondContact O-N 3.29Å; G72-K74 PolarHBondContact O-N 3.13Å |
| 73 | N | 84.9 | Confident | 89.8 | Confident | 126 Ų | 126 | 47 Ų | 47 | 67% | 0.674 | 29% | 0.288 | S | S | * | . | trans | -61.6 | 124.8 | 173.8 | -69.1 | -19.2 | 0 | 0 | 0 | 110 | G69 G71 | G69-N73 PolarHBondContact N-O 2.95Å; G71-N73 PolarHBondContact O-N 3.47Å | ||
| 74 | K | 90.4 | Very high | 89.8 | Confident | 170 Ų | 170 | 46.9 Ų | 46.9 | 74% | 0.739 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.3 | 177.6 | -61.2 | -176.8 | -174.9 | 177 | 0 | 109.4 | E67 V68 G72 | E67-K74 WeakPolarHBondContact O-CA 3.36Å; V68-K74 HydrophobicContact CG2-CG 4.34Å; G72-K74 PolarHBondContact O-N 3.13Å |
| 75 | S | 92.1 | Very high | 89.6 | Confident | 47 Ų | 47 | 46.3 Ų | 46.3 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 153 | 172.9 | -58.3 | 0 | 0 | 0 | 0 | 109.3 | A66 E67 T161 | A66-S75 CarbonylContact C-O 3.44Å; A66-S75 WeakPolarHBondContact CA-O 3.37Å; E67-S75 PolarHBondContact N-O 3.44Å; E67-S75 PolarHBondContact O-N 3.42Å; S75-T161 WeakPolarHBondContact CB-O 3.43Å |
| 76 | R | 92.6 | Very high | 89.5 | Confident | 147 Ų | 147 | 49.4 Ų | 49.4 | 56% | 0.555 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.7 | -177.3 | 68.7 | -178.8 | -178.3 | -176.3 | -0.5 | 110.8 | I65 Q160 | I65-R76 CarbonylContact O-C 3.58Å; I65-R76 VanDerWaalsContact O-CA 3.26Å; I65-R76 WeakPolarHBondContact O-CA 3.2Å; R76-Q160 VanDerWaalsContact O-CB 3.28Å; R76-Q160 WeakPolarHBondContact O-CB 3.42Å; R76-Q160 WeakPolarHBondContact O-CG 3.48Å |
| 77 | L | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 142.8 | 172.9 | -176.6 | 64.3 | 0 | 0 | 0 | 108.2 | I65 L79 Y129 I144 Q146 Q160 I162 | I65-L77 HydrophobicContact CB-CB 4.38Å; I65-L77 HydrophobicContact CD1-CD2 4.42Å; I65-L77 PolarHBondContact N-O 2.96Å; I65-L77 PolarHBondContact O-N 3.02Å; L77-L79 HydrophobicContact CD1-CD2 4.24Å; L77-L79 HydrophobicContact CD2-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CG 4.42Å; L77-L79 HydrophobicContact CG-CD2 3.78Å; L77-L79 HydrophobicContact CG-CG 4.32Å; L77-Y129 HydrophobicContact CD1-CD1 4.32Å; L77-Y129 HydrophobicContact CD1-CE1 4.09Å; L77-I144 HydrophobicContact CD2-CB 4.33Å; L77-I144 HydrophobicContact CD2-CG2 3.66Å; L77-Q146 HydrophobicContact CD1-CB 3.58Å; L77-Q146 HydrophobicContact CD1-CG 4.47Å; L77-Q160 HydrophobicContact CD1-CB 4.25Å; L77-I162 HydrophobicContact CB-CD1 4.13Å; L77-I162 HydrophobicContact CB-CG1 4.49Å; L77-I162 HydrophobicContact CB-CG2 4.16Å; L77-I162 HydrophobicContact CD2-CD1 3.73Å; L77-I162 HydrophobicContact CD2-CG1 4.1Å |
| 78 | T | 91.6 | Very high | 89.5 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 122.6 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 109.4 | F62 L63 Y129 Q146 | F62-T78 HydrophobicContact CD2-CG2 3.6Å; F62-T78 HydrophobicContact CE2-CG2 4.05Å; F62-T78 HydrophobicContact CG-CG2 4.49Å; L63-T78 WeakPolarHBondContact O-CA 3.37Å; T78-Y129 PolarHBondContact O-OH 2.8Å; T78-Q146 PolarHBondContact O-OE1 3.44Å |
| 79 | L | 92.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 144.2 | -176.3 | -52 | -176.7 | 0 | 0 | 0 | 109.6 | F62 L63 I65 L77 V83 F87 Y129 | F62-L79 WeakPolarHBondContact CB-O 3.44Å; L63-L79 PolarHBondContact N-O 3.06Å; L63-L79 PolarHBondContact O-N 3.45Å; I65-L79 HydrophobicContact CD1-CD1 3.75Å; I65-L79 HydrophobicContact CD1-CG 4.35Å; L77-L79 HydrophobicContact CD1-CD2 4.24Å; L77-L79 HydrophobicContact CD2-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CG 4.42Å; L77-L79 HydrophobicContact CG-CD2 3.78Å; L77-L79 HydrophobicContact CG-CG 4.32Å; L79-V83 HydrophobicContact CB-CB 4.44Å; L79-V83 HydrophobicContact CB-CG1 4.1Å; L79-V83 HydrophobicContact CD1-CG1 4.46Å; L79-V83 HydrophobicContact CD2-CG1 3.86Å; L79-V83 HydrophobicContact CG-CG1 4.35Å; L79-F87 HydrophobicContact CD1-CB 4.48Å; L79-F87 HydrophobicContact CD1-CD1 3.78Å; L79-F87 HydrophobicContact CD1-CE1 4.4Å; L79-F87 HydrophobicContact CD1-CG 4.34Å; L79-Y129 HydrophobicContact CD2-CD1 3.84Å; L79-Y129 HydrophobicContact CD2-CE1 3.25Å |
| 80 | S | 90.5 | Very high | 89.9 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 31% | 0.308 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 159.8 | 160 | 62.7 | 0 | 0 | 0 | 0 | 109.2 | S82 V83 A84 | S80-S82 VanDerWaalsContact C-N 3.29Å; S80-S82 PolarHBondContact O-N 3.31Å; S80-S82 PolarHBondContact OG-OG 3.46Å; S80-V83 PolarHBondContact O-N 3.31Å; S80-V83 WeakPolarHBondContact OG-CB 3.44Å; S80-V83 VanDerWaalsContact OG-CG2 3.25Å; S80-V83 WeakPolarHBondContact OG-CG2 3.32Å; S80-V83 PolarHBondContact OG-N 2.97Å; S80-A84 PolarHBondContact O-N 3.21Å |
| 81 | M | 90.5 | Very high | 90.9 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 4% | 0.044 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 175.9 | -69.9 | -54.3 | -61.8 | 0 | 0 | 112 | R61 L63 V83 A84 V85 I180 V185 | R61-M81 HydrophobicContact CB-CG 4.07Å; R61-M81 HydrophobicContact CG-CG 3.98Å; R61-M81 HydrophobicContact CG-SD 4.34Å; L63-M81 HydrophobicContact CB-SD 4.34Å; M81-V83 VanDerWaalsContact C-N 3.33Å; M81-V83 PolarHBondContact O-N 3.34Å; M81-A84 WeakPolarHBondContact O-CA 3.14Å; M81-A84 VanDerWaalsContact O-CB 3.32Å; M81-A84 WeakPolarHBondContact O-CB 3.46Å; M81-A84 PolarHBondContact O-N 3.09Å; M81-V85 PolarHBondContact O-N 3.3Å; M81-V85 VanDerWaalsContact O-N 3.11Å; M81-I180 HydrophobicContact CE-CG1 4.18Å; M81-V185 HydrophobicContact CB-CG2 3.83Å; M81-V185 HydrophobicContact CG-CG2 3.87Å |
| 82 | S | 88.3 | Confident | 91.9 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 25% | 0.245 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.1 | -44.7 | 174.3 | 71.4 | 0 | 0 | 0 | 0 | 112.5 | S80 A84 V85 E86 | S80-S82 VanDerWaalsContact C-N 3.29Å; S80-S82 PolarHBondContact O-N 3.31Å; S80-S82 PolarHBondContact OG-OG 3.46Å; S82-A84 VanDerWaalsContact C-N 3.29Å; S82-A84 PolarHBondContact O-N 3.02Å; S82-V85 PolarHBondContact O-N 3.35Å; S82-E86 PolarHBondContact O-N 2.9Å |
| 83 | V | 91.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.7 | -31.2 | 177.5 | 166.5 | 0 | 0 | 0 | 0 | 111.1 | L79 S80 M81 V85 F87 L122 R124 Y129 | L79-V83 HydrophobicContact CB-CB 4.44Å; L79-V83 HydrophobicContact CB-CG1 4.1Å; L79-V83 HydrophobicContact CD1-CG1 4.46Å; L79-V83 HydrophobicContact CD2-CG1 3.86Å; L79-V83 HydrophobicContact CG-CG1 4.35Å; S80-V83 PolarHBondContact O-N 3.31Å; S80-V83 WeakPolarHBondContact OG-CB 3.44Å; S80-V83 VanDerWaalsContact OG-CG2 3.25Å; S80-V83 WeakPolarHBondContact OG-CG2 3.32Å; S80-V83 PolarHBondContact OG-N 2.97Å; M81-V83 VanDerWaalsContact C-N 3.33Å; M81-V83 PolarHBondContact O-N 3.34Å; V83-V85 VanDerWaalsContact C-N 3.35Å; V83-F87 WeakPolarHBondContact O-CB 3.22Å; V83-F87 PolarHBondContact O-N 2.8Å; V83-L122 HydrophobicContact CB-CD2 4.3Å; V83-L122 HydrophobicContact CG1-CD2 3.73Å; V83-L122 HydrophobicContact CG2-CD2 4.21Å; V83-R124 HydrophobicContact CG2-CB 3.69Å; V83-R124 HydrophobicContact CG2-CG 3.78Å; V83-Y129 HydrophobicContact CG1-CD2 4.28Å; V83-Y129 HydrophobicContact CG1-CE2 4Å; V83-Y129 HydrophobicContact CG2-CE2 4.3Å |
| 84 | A | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -37.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L63 S80 M81 S82 F87 R88 L176 I180 | L63-A84 HydrophobicContact CD2-CB 4.19Å; S80-A84 PolarHBondContact O-N 3.21Å; M81-A84 WeakPolarHBondContact O-CA 3.14Å; M81-A84 VanDerWaalsContact O-CB 3.32Å; M81-A84 WeakPolarHBondContact O-CB 3.46Å; M81-A84 PolarHBondContact O-N 3.09Å; S82-A84 VanDerWaalsContact C-N 3.29Å; S82-A84 PolarHBondContact O-N 3.02Å; A84-F87 PolarHBondContact O-N 3.21Å; A84-R88 PolarHBondContact O-N 3.47Å; A84-L176 HydrophobicContact CB-CD1 4.3Å; A84-I180 HydrophobicContact CB-CD1 4.2Å; A84-I180 HydrophobicContact CB-CG1 4.42Å; A84-I180 WeakPolarHBondContact O-CD1 3.26Å |
| 85 | V | 92.3 | Very high | 93.7 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 31% | 0.309 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.1 | -55.3 | 173.9 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | M81 S82 V83 F87 R88 D89 I180 | M81-V85 PolarHBondContact O-N 3.3Å; M81-V85 VanDerWaalsContact O-N 3.11Å; S82-V85 PolarHBondContact O-N 3.35Å; V83-V85 VanDerWaalsContact C-N 3.35Å; V85-F87 PolarHBondContact O-N 3.08Å; V85-R88 WeakPolarHBondContact O-CB 3.43Å; V85-R88 PolarHBondContact O-N 3.5Å; V85-D89 PolarHBondContact O-N 3.46Å; V85-I180 HydrophobicContact CG2-CD1 4.44Å; V85-I180 HydrophobicContact CG2-CG2 3.82Å |
| 86 | E | 93.6 | Very high | 93.9 | Very high | 66 Ų | 66 | 39.6 Ų | 39.6 | 31% | 0.308 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.8 | -39.7 | 178.4 | -63.7 | -178.5 | -103.4 | 0 | 0 | 111.1 | S82 R88 D89 Y90 L122 | S82-E86 PolarHBondContact O-N 2.9Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.45Å; E86-D89 PolarHBondContact O-N 3.18Å; E86-Y90 HydrophobicContact CB-CE2 4.38Å; E86-Y90 WeakPolarHBondContact O-CD2 3.11Å; E86-Y90 PolarHBondContact O-N 3.39Å; E86-L122 HydrophobicContact CB-CD2 3.96Å; E86-L122 WeakPolarHBondContact OE2-CD1 3.42Å |
| 87 | F | 95.1 | Very high | 94 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -38.2 | 176.7 | -178.7 | -131.5 | 0 | 0 | 0 | 112.7 | I65 L79 V83 A84 V85 D89 Y90 L91 M131 I144 F172 L176 | I65-F87 HydrophobicContact CD1-CE1 4.21Å; L79-F87 HydrophobicContact CD1-CB 4.48Å; L79-F87 HydrophobicContact CD1-CD1 3.78Å; L79-F87 HydrophobicContact CD1-CE1 4.4Å; L79-F87 HydrophobicContact CD1-CG 4.34Å; V83-F87 WeakPolarHBondContact O-CB 3.22Å; V83-F87 PolarHBondContact O-N 2.8Å; A84-F87 PolarHBondContact O-N 3.21Å; V85-F87 PolarHBondContact O-N 3.08Å; F87-D89 VanDerWaalsContact C-N 3.31Å; F87-D89 PolarHBondContact O-N 2.93Å; F87-Y90 PolarHBondContact O-N 2.9Å; F87-L91 HydrophobicContact CD1-CD1 4.36Å; F87-L91 HydrophobicContact CD2-CG 4.35Å; F87-L91 HydrophobicContact CE1-CD1 4.02Å; F87-L91 HydrophobicContact CE2-CD1 4.37Å; F87-L91 HydrophobicContact CE2-CD2 4.06Å; F87-L91 HydrophobicContact CE2-CG 4Å; F87-L91 HydrophobicContact CZ-CD1 4.02Å; F87-L91 HydrophobicContact CZ-CD2 4.05Å; F87-L91 HydrophobicContact CZ-CG 4.09Å; F87-L91 VanDerWaalsContact O-CG 3.31Å; F87-L91 WeakPolarHBondContact O-CG 3.5Å; F87-L91 PolarHBondContact O-N 3.34Å; F87-M131 HydrophobicContact CD2-SD 3.58Å; F87-M131 VanDerWaalsContact CD2-SD 3.58Å; F87-M131 HydrophobicContact CE2-SD 3.8Å; F87-I144 HydrophobicContact CE2-CD1 4.32Å; F87-I144 HydrophobicContact CE2-CG1 3.9Å; F87-I144 HydrophobicContact CZ-CD1 4.01Å; F87-I144 HydrophobicContact CZ-CG1 4.01Å; F87-F172 AromaticContact CE1-CE1 3.91Å; F87-F172 HydrophobicContact CE1-CE1 3.91Å; F87-L176 HydrophobicContact CD1-CD2 3.66Å; F87-L176 HydrophobicContact CE1-CD2 4.22Å; F87-L176 HydrophobicContact CG-CD2 4.46Å |
| 88 | R | 96.2 | Very high | 93.9 | Very high | 69 Ų | 69 | 38 Ų | 38 | 26% | 0.26 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 173.8 | -177.9 | -79 | -54.5 | -101.3 | 3.7 | 111.1 | A84 V85 E86 L91 G92 R173 L176 A177 I180 | A84-R88 PolarHBondContact O-N 3.47Å; V85-R88 WeakPolarHBondContact O-CB 3.43Å; V85-R88 PolarHBondContact O-N 3.5Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.45Å; R88-L91 WeakPolarHBondContact O-CB 3.43Å; R88-L91 PolarHBondContact O-N 3.27Å; R88-G92 PolarHBondContact O-N 2.81Å; R88-R173 HydrophobicContact CG-CG 4.14Å; R88-L176 HydrophobicContact CB-CD2 3.9Å; R88-L176 HydrophobicContact CB-CG 4.26Å; R88-A177 HydrophobicContact CG-CB 4.1Å; R88-I180 HydrophobicContact CB-CD1 3.96Å; R88-I180 HydrophobicContact CG-CD1 4.43Å |
| 89 | D | 95.3 | Very high | 94 | Very high | 76 Ų | 76 | 40.2 Ų | 40.2 | 41% | 0.406 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.7 | -47.9 | 179.8 | -58.6 | -23.3 | 0 | 0 | 0 | 110.8 | V85 E86 F87 L91 G92 D93 | V85-D89 PolarHBondContact O-N 3.46Å; E86-D89 PolarHBondContact O-N 3.18Å; F87-D89 VanDerWaalsContact C-N 3.31Å; F87-D89 PolarHBondContact O-N 2.93Å; D89-L91 VanDerWaalsContact C-N 3.27Å; D89-L91 PolarHBondContact O-N 2.81Å; D89-G92 WeakPolarHBondContact O-CA 3.49Å; D89-G92 PolarHBondContact O-N 2.91Å; D89-D93 PolarHBondContact O-N 2.94Å |
| 90 | Y | 96.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 47.4 Ų | 47.4 | 22% | 0.216 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.9 | -36.2 | 174.6 | -75.6 | -64.1 | 0 | 0 | 0 | 112.9 | E86 F87 G92 D93 F94 E120 L122 M131 | E86-Y90 HydrophobicContact CB-CE2 4.38Å; E86-Y90 WeakPolarHBondContact O-CD2 3.11Å; E86-Y90 PolarHBondContact O-N 3.39Å; F87-Y90 PolarHBondContact O-N 2.9Å; Y90-G92 PolarHBondContact O-N 3.03Å; Y90-D93 PolarHBondContact O-N 2.89Å; Y90-F94 WeakPolarHBondContact O-CD2 3.49Å; Y90-F94 PolarHBondContact O-N 2.93Å; Y90-E120 HydrophobicContact CD1-CB 4.05Å; Y90-E120 HydrophobicContact CD1-CG 3.97Å; Y90-E120 HydrophobicContact CE1-CB 4.17Å; Y90-E120 HydrophobicContact CE1-CG 4.19Å; Y90-L122 HydrophobicContact CE2-CB 4.36Å; Y90-M131 HydrophobicContact CD1-CE 4.36Å; Y90-M131 HydrophobicContact CD2-CE 3.65Å; Y90-M131 HydrophobicContact CD2-SD 4.49Å; Y90-M131 HydrophobicContact CE2-CE 4.13Å; Y90-M131 HydrophobicContact CG-CE 3.8Å; Y90-M131 HydrophobicContact CG-SD 4.45Å |
| 91 | L | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -37.6 | 173.5 | -75.4 | 173.2 | 0 | 0 | 0 | 111.4 | F87 R88 D89 F94 I95 L142 L169 F172 R173 L176 | F87-L91 HydrophobicContact CD1-CD1 4.36Å; F87-L91 HydrophobicContact CD2-CG 4.35Å; F87-L91 HydrophobicContact CE1-CD1 4.02Å; F87-L91 HydrophobicContact CE2-CD1 4.37Å; F87-L91 HydrophobicContact CE2-CD2 4.06Å; F87-L91 HydrophobicContact CE2-CG 4Å; F87-L91 HydrophobicContact CZ-CD1 4.02Å; F87-L91 HydrophobicContact CZ-CD2 4.05Å; F87-L91 HydrophobicContact CZ-CG 4.09Å; F87-L91 VanDerWaalsContact O-CG 3.31Å; F87-L91 WeakPolarHBondContact O-CG 3.5Å; F87-L91 PolarHBondContact O-N 3.34Å; R88-L91 WeakPolarHBondContact O-CB 3.43Å; R88-L91 PolarHBondContact O-N 3.27Å; D89-L91 VanDerWaalsContact C-N 3.27Å; D89-L91 PolarHBondContact O-N 2.81Å; L91-F94 PolarHBondContact O-N 3.01Å; L91-I95 WeakPolarHBondContact O-CB 3.46Å; L91-I95 VanDerWaalsContact O-CD1 3.26Å; L91-I95 WeakPolarHBondContact O-CD1 3.21Å; L91-I95 WeakPolarHBondContact O-CG1 3.27Å; L91-I95 PolarHBondContact O-N 2.94Å; L91-L142 HydrophobicContact CD2-CD2 3.6Å; L91-L169 HydrophobicContact CD2-CD2 3.87Å; L91-F172 HydrophobicContact CD1-CD1 3.85Å; L91-F172 HydrophobicContact CD1-CE1 4.38Å; L91-R173 HydrophobicContact CB-CB 4.17Å; L91-R173 HydrophobicContact CB-CG 4.2Å; L91-R173 HydrophobicContact CD1-CB 4.23Å; L91-L176 HydrophobicContact CD1-CD2 4.06Å |
| 92 | G | 96.3 | Very high | 93.2 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.3 | -52.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R88 D89 Y90 F94 I95 E96 | R88-G92 PolarHBondContact O-N 2.81Å; D89-G92 WeakPolarHBondContact O-CA 3.49Å; D89-G92 PolarHBondContact O-N 2.91Å; Y90-G92 PolarHBondContact O-N 3.03Å; G92-F94 VanDerWaalsContact C-N 3.27Å; G92-F94 PolarHBondContact O-N 3.13Å; G92-I95 WeakPolarHBondContact O-CB 3.04Å; G92-I95 PolarHBondContact O-N 3.37Å; G92-E96 PolarHBondContact O-N 3.3Å |
| 93 | D | 96.4 | Very high | 92.7 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.2 | -32.8 | 179.8 | -58.8 | -22.6 | 0 | 0 | 0 | 113.2 | D89 Y90 H97 K118 | D89-D93 PolarHBondContact O-N 2.94Å; Y90-D93 PolarHBondContact O-N 2.89Å; D93-H97 WeakPolarHBondContact O-CB 3.2Å; D93-H97 PolarHBondContact O-N 2.87Å; D93-K118 PolarHBondContact O-NZ 2.6Å |
| 94 | F | 96.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.4 | -37 | 174.7 | -80.1 | -67.7 | 0 | 0 | 0 | 112.1 | Y90 L91 G92 Y98 K118 E120 M131 L133 L142 | Y90-F94 WeakPolarHBondContact O-CD2 3.49Å; Y90-F94 PolarHBondContact O-N 2.93Å; L91-F94 PolarHBondContact O-N 3.01Å; G92-F94 VanDerWaalsContact C-N 3.27Å; G92-F94 PolarHBondContact O-N 3.13Å; F94-Y98 WeakPolarHBondContact O-CB 3.24Å; F94-Y98 PolarHBondContact O-N 2.78Å; 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 3.87Å; F94-K118 HydrophobicContact CE1-CG 3.58Å; F94-K118 HydrophobicContact CZ-CG 4.37Å; F94-E120 HydrophobicContact CE2-CB 4.07Å; F94-E120 HydrophobicContact CE2-CG 4.03Å; F94-E120 HydrophobicContact CZ-CB 3.87Å; F94-E120 HydrophobicContact CZ-CG 3.75Å; F94-M131 HydrophobicContact CE2-CB 3.74Å; F94-M131 HydrophobicContact CE2-SD 4.36Å; F94-M131 HydrophobicContact CZ-CB 3.83Å; 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 3.93Å; F94-L142 HydrophobicContact CD2-CD1 4.03Å; F94-L142 HydrophobicContact CD2-CD2 4.03Å; F94-L142 HydrophobicContact CE1-CD1 3.78Å; F94-L142 HydrophobicContact CE2-CD1 3.94Å; F94-L142 HydrophobicContact CE2-CD2 4.47Å; F94-L142 HydrophobicContact CG-CD1 4.06Å; F94-L142 HydrophobicContact CG-CD2 4.34Å; F94-L142 HydrophobicContact CZ-CD1 3.82Å |
| 95 | I | 96 | Very high | 90.2 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 11% | 0.108 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 176.4 | -71.6 | 157.8 | 0 | 0 | 0 | 110.1 | L91 G92 H97 Y98 A99 L169 I170 R173 | L91-I95 WeakPolarHBondContact O-CB 3.46Å; L91-I95 VanDerWaalsContact O-CD1 3.26Å; L91-I95 WeakPolarHBondContact O-CD1 3.21Å; L91-I95 WeakPolarHBondContact O-CG1 3.27Å; L91-I95 PolarHBondContact O-N 2.94Å; G92-I95 WeakPolarHBondContact O-CB 3.04Å; G92-I95 PolarHBondContact O-N 3.37Å; I95-H97 PolarHBondContact O-N 3.47Å; I95-Y98 PolarHBondContact O-N 2.99Å; I95-A99 WeakPolarHBondContact O-CB 3.42Å; I95-A99 PolarHBondContact O-N 2.89Å; I95-L169 HydrophobicContact CD1-CB 4.17Å; I95-L169 HydrophobicContact CG1-CB 3.65Å; I95-I170 HydrophobicContact CD1-CB 4.48Å; I95-I170 HydrophobicContact CD1-CG1 3.92Å; I95-I170 HydrophobicContact CG1-CG1 4.06Å; I95-I170 HydrophobicContact CG2-CD1 4.14Å; I95-I170 HydrophobicContact CG2-CG1 3.78Å; I95-R173 HydrophobicContact CD1-CB 4.08Å; I95-R173 HydrophobicContact CD1-CG 4.47Å |
| 96 | E | 95.8 | Very high | 88.7 | Confident | 127 Ų | 127 | 63 Ų | 63 | 59% | 0.593 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.6 | -46.7 | 177.7 | -71.1 | -179.2 | -175.4 | 0 | 0 | 111.7 | G92 Y98 A99 Q100 | G92-E96 PolarHBondContact O-N 3.3Å; E96-Y98 PolarHBondContact O-N 2.87Å; E96-A99 PolarHBondContact O-N 2.8Å; E96-Q100 WeakPolarHBondContact O-CG 3.46Å; E96-Q100 PolarHBondContact O-N 2.83Å |
| 97 | H | 94.3 | Very high | 87.1 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 175.6 | -176 | 71.5 | 0 | 0 | 0 | 111.4 | D93 I95 A99 Q100 L101 K118 | D93-H97 WeakPolarHBondContact O-CB 3.2Å; D93-H97 PolarHBondContact O-N 2.87Å; I95-H97 PolarHBondContact O-N 3.47Å; H97-A99 VanDerWaalsContact C-N 3.3Å; H97-A99 PolarHBondContact O-N 2.69Å; H97-Q100 PolarHBondContact O-N 3.16Å; H97-Q100 VanDerWaalsContact O-N 3.13Å; H97-L101 WeakPolarHBondContact O-CG 3.26Å; H97-L101 PolarHBondContact O-N 2.74Å; H97-K118 HydrophobicContact CB-CD 3.84Å |
| 98 | Y | 93.2 | Very high | 85.3 | Confident | 65 Ų | 65 | 73.2 Ų | 73.2 | 26% | 0.255 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 178.1 | 174.9 | -110.3 | 0 | 0 | 0 | 112.7 | F94 I95 E96 Q100 L101 R140 A166 | F94-Y98 WeakPolarHBondContact O-CB 3.24Å; F94-Y98 PolarHBondContact O-N 2.78Å; I95-Y98 PolarHBondContact O-N 2.99Å; E96-Y98 PolarHBondContact O-N 2.87Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 3.15Å; Y98-L101 HydrophobicContact CD2-CD1 4.31Å; Y98-L101 WeakPolarHBondContact O-CB 3.32Å; Y98-L101 PolarHBondContact O-N 2.9Å; Y98-R140 HydrophobicContact CE2-CB 4.15Å; Y98-A166 HydrophobicContact CD2-CB 3.79Å; Y98-A166 HydrophobicContact CE1-CB 4.27Å; Y98-A166 HydrophobicContact CE2-CB 3.53Å; Y98-A166 HydrophobicContact CG-CB 4.28Å |
| 99 | A | 92.4 | Very high | 83.4 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 68% | 0.678 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.5 | -26.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I95 E96 H97 | I95-A99 WeakPolarHBondContact O-CB 3.42Å; I95-A99 PolarHBondContact O-N 2.89Å; E96-A99 PolarHBondContact O-N 2.8Å; H97-A99 VanDerWaalsContact C-N 3.3Å; H97-A99 PolarHBondContact O-N 2.69Å |
| 100 | Q | 91.1 | Very high | 81.4 | Confident | 155 Ų | 155 | 77.6 Ų | 77.6 | 72% | 0.724 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -83.1 | -14.6 | 176.1 | -65 | 171.1 | 6.1 | 0 | 0 | 112.8 | E96 H97 Y98 G102 | E96-Q100 WeakPolarHBondContact O-CG 3.46Å; E96-Q100 PolarHBondContact O-N 2.83Å; H97-Q100 PolarHBondContact O-N 3.16Å; H97-Q100 VanDerWaalsContact O-N 3.13Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 3.15Å; Q100-G102 PolarHBondContact O-N 2.72Å |
| 101 | L | 86.9 | Confident | 79.1 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 24% | 0.241 | 46% | 0.458 | C | S | . | . | trans | -77 | 125.9 | 179 | -62.5 | 174.2 | 0 | 0 | 0 | 110.2 | H97 Y98 L117 L133 | H97-L101 WeakPolarHBondContact O-CG 3.26Å; H97-L101 PolarHBondContact O-N 2.74Å; Y98-L101 HydrophobicContact CD2-CD1 4.31Å; Y98-L101 WeakPolarHBondContact O-CB 3.32Å; Y98-L101 PolarHBondContact O-N 2.9Å; L101-L117 HydrophobicContact CD1-CD1 3.86Å; L101-L133 HydrophobicContact CD1-CD2 4.19Å | ||
| 102 | G | 79.2 | Confident | 76.8 | Confident | 46 Ų | 46 | 88.9 Ų | 88.9 | 47% | 0.474 | 49% | 0.489 | S | S | . | . | trans | -63.2 | -178.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q100 R140 | Q100-G102 PolarHBondContact O-N 2.72Å; G102-R140 PolarHBondContact O-NH1 3.02Å; G102-R140 PolarHBondContact O-NH2 2.8Å | ||
| 103 | P | 77.1 | Confident | 74.7 | Confident | 116 Ų | 116 | 93.6 Ų | 93.6 | 75% | 0.753 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -53.9 | 146.7 | 178.6 | 21.1 | -31.2 | 0 | 0 | 0 | 112 | N105 | P103-N105 PolarHBondContact O-N 2.84Š|
| 104 | T | 69.6 | Low | 73.1 | Confident | 73 Ų | 73 | 101 Ų | 101 | 45% | 0.448 | 54% | 0.54 | S | S | . | . | trans | -60.7 | 124.2 | 176.1 | 32.3 | 0 | 0 | 0 | 0 | 110 | P106 E135 R140 | T104-P106 VanDerWaalsContact O-CD 3.3Å; T104-P106 WeakPolarHBondContact O-CD 3.35Å; T104-E135 WeakPolarHBondContact CA-OE1 3.35Å; T104-E135 WeakPolarHBondContact CB-OE1 3.35Å; T104-E135 HydrophobicContact CG2-CG 4.24Å; T104-E135 WeakPolarHBondContact CG2-OE1 3.21Å; T104-R140 HydrophobicContact CG2-CG 4.25Å | ||
| 105 | N | 64.3 | Low | 72 | Confident | 88 Ų | 88 | 110.7 Ų | 110.7 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | trans | -93 | 106.4 | 177 | -82.2 | -16.7 | 0 | 0 | 0 | 109.4 | P103 D107 M108 | P103-N105 PolarHBondContact O-N 2.84Å; N105-D107 PolarHBondContact O-N 3.11Å; N105-M108 HydrophobicContact CB-CB 4.4Å; N105-M108 HydrophobicContact CB-CG 4.06Å; N105-M108 HydrophobicContact CB-SD 4.11Å; N105-M108 PolarHBondContact O-N 2.86Å | ||
| 106 | P | 60.8 | Low | 71.5 | Confident | 102 Ų | 102 | 110.8 Ų | 110.8 | 66% | 0.662 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -66.7 | -23.8 | -176.7 | 26.7 | -33.7 | 0 | 0 | 0 | 113.4 | T104 V109 | T104-P106 VanDerWaalsContact O-CD 3.3Å; T104-P106 WeakPolarHBondContact O-CD 3.35Å; P106-V109 WeakPolarHBondContact O-CG2 3.23Å |
| 107 | D | 60.2 | Low | 71.2 | Confident | 142 Ų | 142 | 108 Ų | 108 | 76% | 0.759 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -81.2 | -21.5 | -176.6 | -64.7 | -34.9 | 0 | 0 | 0 | 113.8 | N105 V109 | N105-D107 PolarHBondContact O-N 3.11Å; D107-V109 PolarHBondContact O-N 2.81Å |
| 108 | M | 57.3 | Low | 71.1 | Confident | 144 Ų | 144 | 107.7 Ų | 107.7 | 71% | 0.709 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -78.1 | -5.9 | 178.9 | -68.9 | -174.4 | 70.4 | 0 | 0 | 113.5 | N105 Q110 | N105-M108 HydrophobicContact CB-CB 4.4Å; N105-M108 HydrophobicContact CB-CG 4.06Å; N105-M108 HydrophobicContact CB-SD 4.11Å; N105-M108 PolarHBondContact O-N 2.86Å; M108-Q110 VanDerWaalsContact C-N 3.3Å; M108-Q110 PolarHBondContact O-N 2.88Å |
| 109 | V | 55.5 | Low | 71.2 | Confident | 58 Ų | 58 | 107.7 Ų | 107.7 | 35% | 0.352 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -81.1 | -11 | -172 | -162.5 | 0 | 0 | 0 | 0 | 112.2 | P106 D107 Q137 | P106-V109 WeakPolarHBondContact O-CG2 3.23Å; D107-V109 PolarHBondContact O-N 2.81Å; V109-Q137 HydrophobicContact CG1-CG 4.47Å |
| 110 | Q | 53.7 | Low | 71.3 | Confident | 178 Ų | 178 | 106.7 Ų | 106.7 | 83% | 0.832 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -87.1 | -29 | -173.7 | -98.7 | 177.1 | -18.6 | 0 | 0 | 115.4 | M108 | M108-Q110 VanDerWaalsContact C-N 3.3Å; M108-Q110 PolarHBondContact O-N 2.88Å |
| 111 | D | 48.6 | Very low | 71.4 | Confident | 156 Ų | 156 | 104.8 Ų | 104.8 | 83% | 0.834 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -109.5 | -12.8 | -162.7 | -94.6 | -36.7 | 0 | 0 | 0 | 117.3 | ||
| 112 | E | 47.7 | Very low | 71.4 | Confident | 137 Ų | 137 | 103.1 Ų | 103.1 | 64% | 0.64 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -122.8 | 144.2 | -175.1 | -78.9 | -109.5 | 142 | 0 | 0 | 113.6 | R114 | E112-R114 VanDerWaalsContact C-N 3.35Å; E112-R114 PolarHBondContact O-N 2.84Å |
| 113 | P | 51.1 | Low | 71.8 | Confident | 112 Ų | 112 | 104.9 Ų | 104.9 | 73% | 0.727 | 54% | 0.54 | S | S | * | . | trans | -71 | 83.3 | -176 | 29.7 | -34.5 | 0 | 0 | 0 | 111.9 | R115 | P113-R115 PolarHBondContact O-N 3.35Š| ||
| 114 | R | 63.7 | Low | 72 | Confident | 223 Ų | 223 | 104.9 Ų | 104.9 | 84% | 0.842 | 53% | 0.525 | S | S | * | . | trans | 35.8 | 41.9 | 160.7 | -61.6 | 179 | 179.2 | 155.5 | -0.1 | 115.2 | E112 K134 | E112-R114 VanDerWaalsContact C-N 3.35Å; E112-R114 PolarHBondContact O-N 2.84Å; R114-K134 PolarHBondContact O-NZ 2.91Å | ||
| 115 | R | 73.3 | Confident | 72.5 | Confident | 203 Ų | 203 | 109.6 Ų | 109.6 | 77% | 0.766 | 54% | 0.542 | S | S | * | . | trans | -66.9 | 141.2 | -176.6 | -163.7 | 173.3 | -178.4 | -179.4 | -0.9 | 108.4 | P113 | P113-R115 PolarHBondContact O-N 3.35Š| ||
| 116 | A | 84.9 | Confident | 73.2 | Confident | 23 Ų | 23 | 109.1 Ų | 109.1 | 19% | 0.19 | 54% | 0.539 | C | S | . | . | trans | -69.5 | 136.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | K118 S119 D132 L133 K134 | A116-K118 VanDerWaalsContact C-N 3.29Å; A116-S119 WeakPolarHBondContact CB-OG 3.27Å; A116-D132 HydrophobicContact CB-CB 3.93Å; A116-L133 CarbonylContact C-O 3.57Å; A116-L133 VanDerWaalsContact CA-O 3.3Å; A116-L133 WeakPolarHBondContact CA-O 3Å; A116-K134 HydrophobicContact CB-CG 4.35Å | ||
| 117 | L | 89.3 | Confident | 74.4 | Confident | 68 Ų | 68 | 108.3 Ų | 108.3 | 36% | 0.356 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -64.3 | -39.3 | 172.4 | -61.9 | 174.7 | 0 | 0 | 0 | 110.4 | L101 L133 E135 R140 | L101-L117 HydrophobicContact CD1-CD1 3.86Å; L117-L133 HydrophobicContact CB-CD2 4.39Å; L117-L133 HydrophobicContact CB-CG 4.39Å; L117-L133 HydrophobicContact CD1-CG 4.4Å; L117-L133 PolarHBondContact N-O 3Å; L117-E135 HydrophobicContact CD1-CB 4.11Å; L117-R140 HydrophobicContact CD1-CG 4.17Å |
| 118 | K | 93.1 | Very high | 75.9 | Confident | 45 Ų | 45 | 103.8 Ų | 103.8 | 20% | 0.196 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 139.6 | 171.4 | -178.6 | 172.2 | 174 | 169.9 | 0 | 108.6 | D93 F94 H97 A116 L133 | D93-K118 PolarHBondContact O-NZ 2.6Å; 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 3.87Å; F94-K118 HydrophobicContact CE1-CG 3.58Å; F94-K118 HydrophobicContact CZ-CG 4.37Å; H97-K118 HydrophobicContact CB-CD 3.84Å; A116-K118 VanDerWaalsContact C-N 3.29Å; K118-L133 HydrophobicContact CB-CB 4.33Å; K118-L133 PolarHBondContact O-N 3.46Å |
| 119 | S | 94.9 | Very high | 77.6 | Confident | 64 Ų | 64 | 97.4 Ų | 97.4 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 132 | 176.2 | -78.5 | 0 | 0 | 0 | 0 | 109.9 | A116 M131 D132 | A116-S119 WeakPolarHBondContact CB-OG 3.27Å; S119-M131 CarbonylContact C-O 3.6Å; S119-M131 VanDerWaalsContact CA-O 3.29Å; S119-M131 WeakPolarHBondContact CA-O 3.4Å; S119-D132 PolarHBondContact OG-OD1 3.41Å |
| 120 | E | 95.7 | Very high | 79.5 | Confident | 62 Ų | 62 | 97.7 Ų | 97.7 | 29% | 0.29 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 159.2 | 171.6 | -67.6 | -60.4 | 161.7 | 0 | 0 | 109.7 | Y90 F94 M131 | Y90-E120 HydrophobicContact CD1-CB 4.05Å; Y90-E120 HydrophobicContact CD1-CG 3.97Å; Y90-E120 HydrophobicContact CE1-CB 4.17Å; Y90-E120 HydrophobicContact CE1-CG 4.19Å; F94-E120 HydrophobicContact CE2-CB 4.07Å; F94-E120 HydrophobicContact CE2-CG 4.03Å; F94-E120 HydrophobicContact CZ-CB 3.87Å; F94-E120 HydrophobicContact CZ-CG 3.75Å; E120-M131 HydrophobicContact CB-CB 4.46Å; E120-M131 HydrophobicContact CB-CE 4Å; E120-M131 PolarHBondContact N-O 2.93Å; E120-M131 PolarHBondContact O-N 2.97Å |
| 121 | F | 92.3 | Very high | 81.5 | Confident | 114 Ų | 114 | 89.3 Ų | 89.3 | 50% | 0.5 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 147.2 | 171.3 | 71.6 | -89 | 0 | 0 | 0 | 112.4 | V123 K128 Y129 Y130 | F121-V123 HydrophobicContact CD2-CG2 3.95Å; F121-V123 HydrophobicContact CE2-CG2 4.08Å; F121-K128 HydrophobicContact CD2-CD 4.45Å; F121-K128 VanDerWaalsContact CD2-CE 3.42Å; F121-Y129 CarbonylContact C-O 3.52Å; F121-Y129 WeakPolarHBondContact CA-O 3.38Å; F121-Y129 WeakPolarHBondContact CB-O 3.49Å; F121-Y130 HydrophobicContact CB-CD1 4.29Å |
| 122 | L | 88 | Confident | 83.7 | Confident | 11 Ų | 11 | 82.8 Ų | 82.8 | 6% | 0.058 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134 | 176.4 | 171.9 | 61.6 | 0 | 0 | 0 | 109.4 | V83 E86 Y90 K128 Y129 M131 | V83-L122 HydrophobicContact CB-CD2 4.3Å; V83-L122 HydrophobicContact CG1-CD2 3.73Å; V83-L122 HydrophobicContact CG2-CD2 4.21Å; E86-L122 HydrophobicContact CB-CD2 3.96Å; E86-L122 WeakPolarHBondContact OE2-CD1 3.42Å; Y90-L122 HydrophobicContact CE2-CB 4.36Å; L122-K128 CarbonylContact O-C 3.52Å; L122-K128 WeakPolarHBondContact O-CA 3.36Å; L122-Y129 HydrophobicContact CG-CD2 4.48Å; L122-Y129 PolarHBondContact N-O 3.29Å; L122-Y129 PolarHBondContact O-N 3.09Å; L122-M131 HydrophobicContact CB-CE 4.36Å |
| 123 | V | 86.3 | Confident | 86 | Confident | 84 Ų | 84 | 76.3 Ų | 76.3 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123.2 | 174.6 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | F121 R127 K128 | F121-V123 HydrophobicContact CD2-CG2 3.95Å; F121-V123 HydrophobicContact CE2-CG2 4.08Å; V123-R127 WeakPolarHBondContact CA-O 2.94Å; V123-K128 HydrophobicContact CG2-CB 4.44Å; V123-K128 HydrophobicContact CG2-CD 3.94Å; V123-K128 HydrophobicContact CG2-CG 3.96Å |
| 124 | R | 82.1 | Confident | 88.1 | Confident | 115 Ų | 115 | 72.4 Ų | 72.4 | 43% | 0.434 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 127.4 | 173 | -166.4 | 70.7 | -179.1 | 166.5 | -1.8 | 109.4 | V83 N126 R127 | V83-R124 HydrophobicContact CG2-CB 3.69Å; V83-R124 HydrophobicContact CG2-CG 3.78Å; R124-N126 PolarHBondContact O-N 2.79Å; R124-R127 PolarHBondContact N-O 3.34Å; R124-R127 PolarHBondContact O-N 2.89Å; R124-R127 VanDerWaalsContact O-O 3.13Å |
| 125 | E | 80.3 | Confident | 89.3 | Confident | 172 Ų | 172 | 64.2 Ų | 64.2 | 80% | 0.804 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | -118.5 | -174.8 | -57.8 | 175.3 | 173.1 | 0 | 0 | 111.5 | ||
| 126 | N | 79.6 | Confident | 89.9 | Confident | 79 Ų | 79 | 57.4 Ų | 57.4 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 19.7 | 176.4 | 69.3 | -20 | 0 | 0 | 0 | 113.1 | R124 V148 N149 | R124-N126 PolarHBondContact O-N 2.79Å; N126-V148 CarbonylContact O-C 3.57Å; N126-V148 WeakPolarHBondContact O-CA 3.31Å; N126-N149 PolarHBondContact O-N 2.78Å |
| 127 | R | 85.6 | Confident | 89.8 | Confident | 85 Ų | 85 | 65.4 Ų | 65.4 | 32% | 0.321 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 138.1 | -178.6 | -57.7 | -174.8 | 179.5 | -145.2 | 2 | 110.5 | V123 R124 Y129 T147 V148 | V123-R127 WeakPolarHBondContact CA-O 2.94Å; R124-R127 PolarHBondContact N-O 3.34Å; R124-R127 PolarHBondContact O-N 2.89Å; R124-R127 VanDerWaalsContact O-O 3.13Å; R127-Y129 HydrophobicContact CB-CE2 3.81Å; R127-Y129 WeakPolarHBondContact CD-OH 3.32Å; R127-T147 WeakPolarHBondContact CA-O 3.4Å; R127-V148 HydrophobicContact CG-CG2 4.43Å |
| 128 | K | 90.4 | Very high | 89.6 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.3 | 172.5 | -172.4 | 163.2 | 176.2 | -169.5 | 0 | 109.5 | F121 L122 V123 Y130 Q146 T147 | F121-K128 HydrophobicContact CD2-CD 4.45Å; F121-K128 VanDerWaalsContact CD2-CE 3.42Å; L122-K128 CarbonylContact O-C 3.52Å; L122-K128 WeakPolarHBondContact O-CA 3.36Å; V123-K128 HydrophobicContact CG2-CB 4.44Å; V123-K128 HydrophobicContact CG2-CD 3.94Å; V123-K128 HydrophobicContact CG2-CG 3.96Å; K128-Y130 HydrophobicContact CB-CE2 4.16Å; K128-Y130 HydrophobicContact CD-CE1 4.01Å; K128-Y130 HydrophobicContact CD-CE2 3.96Å; K128-Y130 VanDerWaalsContact CD-CZ 3.48Å; K128-Y130 VanDerWaalsContact CD-OH 3.25Å; K128-Y130 WeakPolarHBondContact CD-OH 3.23Å; K128-Y130 WeakPolarHBondContact CE-OH 3.49Å; K128-Y130 HydrophobicContact CG-CD2 4.25Å; K128-Y130 HydrophobicContact CG-CE1 4.32Å; K128-Y130 HydrophobicContact CG-CE2 3.72Å; K128-Y130 PolarHBondContact NZ-OH 3.28Å; K128-Q146 CarbonylContact O-C 3.53Å; K128-Q146 WeakPolarHBondContact O-CA 3.46Å; K128-T147 PolarHBondContact N-O 2.77Å; K128-T147 PolarHBondContact O-N 3.48Å; K128-T147 PolarHBondContact O-OG1 3.37Å |
| 129 | Y | 93.8 | Very high | 89.4 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 4% | 0.039 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.2 | 178.2 | -59.9 | -92.2 | 0 | 0 | 0 | 107.5 | L77 T78 L79 V83 F121 L122 R127 R145 Q146 | L77-Y129 HydrophobicContact CD1-CD1 4.32Å; L77-Y129 HydrophobicContact CD1-CE1 4.09Å; T78-Y129 PolarHBondContact O-OH 2.8Å; L79-Y129 HydrophobicContact CD2-CD1 3.84Å; L79-Y129 HydrophobicContact CD2-CE1 3.25Å; V83-Y129 HydrophobicContact CG1-CD2 4.28Å; V83-Y129 HydrophobicContact CG1-CE2 4Å; V83-Y129 HydrophobicContact CG2-CE2 4.3Å; F121-Y129 CarbonylContact C-O 3.52Å; F121-Y129 WeakPolarHBondContact CA-O 3.38Å; F121-Y129 WeakPolarHBondContact CB-O 3.49Å; L122-Y129 HydrophobicContact CG-CD2 4.48Å; L122-Y129 PolarHBondContact N-O 3.29Å; L122-Y129 PolarHBondContact O-N 3.09Å; R127-Y129 HydrophobicContact CB-CE2 3.81Å; R127-Y129 WeakPolarHBondContact CD-OH 3.32Å; Y129-R145 CarbonylContact C-O 3.54Å; Y129-R145 WeakPolarHBondContact CA-O 3.32Å; Y129-Q146 HydrophobicContact CD1-CB 3.79Å; Y129-Q146 HydrophobicContact CD1-CG 3.84Å; Y129-Q146 HydrophobicContact CE1-CB 3.77Å; Y129-Q146 HydrophobicContact CE1-CG 3.44Å; Y129-Q146 VanDerWaalsContact CE1-CG 3.44Å; Y129-Q146 VanDerWaalsContact CE1-OE1 3.26Å; Y129-Q146 PolarHBondContact OH-OE1 2.67Å |
| 130 | Y | 94.9 | Very high | 89.3 | Confident | 63 Ų | 63 | 67.3 Ų | 67.3 | 25% | 0.247 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.8 | 174.8 | -62.4 | -91 | 0 | 0 | 0 | 108.7 | F121 K128 I144 R145 T147 | F121-Y130 HydrophobicContact CB-CD1 4.29Å; K128-Y130 HydrophobicContact CB-CE2 4.16Å; K128-Y130 HydrophobicContact CD-CE1 4.01Å; K128-Y130 HydrophobicContact CD-CE2 3.96Å; K128-Y130 VanDerWaalsContact CD-CZ 3.48Å; K128-Y130 VanDerWaalsContact CD-OH 3.25Å; K128-Y130 WeakPolarHBondContact CD-OH 3.23Å; K128-Y130 WeakPolarHBondContact CE-OH 3.49Å; K128-Y130 HydrophobicContact CG-CD2 4.25Å; K128-Y130 HydrophobicContact CG-CE1 4.32Å; K128-Y130 HydrophobicContact CG-CE2 3.72Å; K128-Y130 PolarHBondContact NZ-OH 3.28Å; Y130-I144 CarbonylContact O-C 3.54Å; Y130-I144 VanDerWaalsContact O-CA 3.32Å; Y130-I144 WeakPolarHBondContact O-CA 3.42Å; Y130-R145 PolarHBondContact N-O 3.49Å; Y130-R145 PolarHBondContact O-N 2.83Å; Y130-T147 HydrophobicContact CD2-CG2 4.31Å; Y130-T147 HydrophobicContact CE2-CG2 4.01Å; Y130-T147 WeakPolarHBondContact CE2-OG1 3.33Å |
| 131 | M | 96.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 107.8 | -179 | -65.9 | 172.5 | -76.5 | 0 | 0 | 108.3 | F87 Y90 F94 S119 E120 L122 L142 R143 I144 | F87-M131 HydrophobicContact CD2-SD 3.58Å; F87-M131 VanDerWaalsContact CD2-SD 3.58Å; F87-M131 HydrophobicContact CE2-SD 3.8Å; Y90-M131 HydrophobicContact CD1-CE 4.36Å; Y90-M131 HydrophobicContact CD2-CE 3.65Å; Y90-M131 HydrophobicContact CD2-SD 4.49Å; Y90-M131 HydrophobicContact CE2-CE 4.13Å; Y90-M131 HydrophobicContact CG-CE 3.8Å; Y90-M131 HydrophobicContact CG-SD 4.45Å; F94-M131 HydrophobicContact CE2-CB 3.74Å; F94-M131 HydrophobicContact CE2-SD 4.36Å; F94-M131 HydrophobicContact CZ-CB 3.83Å; F94-M131 WeakPolarHBondContact CZ-O 3.33Å; S119-M131 CarbonylContact C-O 3.6Å; S119-M131 VanDerWaalsContact CA-O 3.29Å; S119-M131 WeakPolarHBondContact CA-O 3.4Å; E120-M131 HydrophobicContact CB-CB 4.46Å; E120-M131 HydrophobicContact CB-CE 4Å; E120-M131 PolarHBondContact N-O 2.93Å; E120-M131 PolarHBondContact O-N 2.97Å; L122-M131 HydrophobicContact CB-CE 4.36Å; M131-L142 HydrophobicContact CB-CD1 4.31Å; M131-R143 WeakPolarHBondContact CA-O 3.29Å; M131-I144 HydrophobicContact CG-CG1 4.01Å; M131-I144 HydrophobicContact CG-CG2 4.18Å |
| 132 | D | 95.6 | Very high | 89.4 | Confident | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.102 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 112.9 | -177.3 | -57.9 | -46.2 | 0 | 0 | 0 | 109.9 | A116 S119 K134 R143 | A116-D132 HydrophobicContact CB-CB 3.93Å; S119-D132 PolarHBondContact OG-OD1 3.41Å; D132-K134 HydrophobicContact CB-CD 4.21Å; D132-K134 HydrophobicContact CB-CG 4.08Å; D132-K134 PolarHBondContact O-N 2.75Å; D132-R143 PolarHBondContact N-O 3.37Å; D132-R143 PolarHBondContact O-N 2.92Å; D132-R143 IonicContact OD2-CZ 3.84Å; D132-R143 IonicContact OD2-NE 2.63Å; D132-R143 IonicContact OD2-NH2 3.28Å; D132-R143 PolarHBondContact OD2-NH2 2.99Å |
| 133 | L | 96.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 121.2 | 166.8 | -176.1 | 65.9 | 0 | 0 | 0 | 108.3 | 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 4.19Å; A116-L133 CarbonylContact C-O 3.57Å; A116-L133 VanDerWaalsContact CA-O 3.3Å; A116-L133 WeakPolarHBondContact CA-O 3Å; L117-L133 HydrophobicContact CB-CD2 4.39Å; L117-L133 HydrophobicContact CB-CG 4.39Å; L117-L133 HydrophobicContact CD1-CG 4.4Å; L117-L133 PolarHBondContact N-O 3Å; K118-L133 HydrophobicContact CB-CB 4.33Å; K118-L133 PolarHBondContact O-N 3.46Å; L133-L142 HydrophobicContact CB-CD1 4.21Å; L133-L142 HydrophobicContact CD1-CB 4.42Å; L133-A166 HydrophobicContact CD1-CB 4.4Å |
| 134 | K | 93.8 | Very high | 90.2 | Very high | 30 Ų | 30 | 60.3 Ų | 60.3 | 13% | 0.13 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 157.5 | -174 | -68.5 | -177.3 | 174.1 | -110.1 | 0 | 111.1 | R114 A116 D132 R140 F141 R143 | R114-K134 PolarHBondContact O-NZ 2.91Å; A116-K134 HydrophobicContact CB-CG 4.35Å; D132-K134 HydrophobicContact CB-CD 4.21Å; D132-K134 HydrophobicContact CB-CG 4.08Å; D132-K134 PolarHBondContact O-N 2.75Å; K134-R140 CarbonylContact O-C 3.5Å; K134-R140 WeakPolarHBondContact O-CA 3.43Å; K134-F141 HydrophobicContact CB-CD1 4.35Å; K134-F141 HydrophobicContact CB-CE1 3.77Å; K134-F141 HydrophobicContact CB-CE2 4.24Å; K134-F141 HydrophobicContact CB-CZ 3.72Å; K134-F141 HydrophobicContact CD-CE2 4.5Å; K134-F141 HydrophobicContact CD-CZ 4.21Å; K134-F141 PolarHBondContact N-O 3.08Å; K134-F141 PolarHBondContact O-N 3.18Å; K134-R143 VanDerWaalsContact CE-NH2 3.35Å |
| 135 | E | 89.7 | Confident | 90.7 | Very high | 52 Ų | 52 | 59.2 Ų | 59.2 | 24% | 0.243 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.3 | 174 | -167.5 | 162 | 160 | 0 | 0 | 110 | T104 L117 R140 | T104-E135 WeakPolarHBondContact CA-OE1 3.35Å; T104-E135 WeakPolarHBondContact CB-OE1 3.35Å; T104-E135 HydrophobicContact CG2-CG 4.24Å; T104-E135 WeakPolarHBondContact CG2-OE1 3.21Å; L117-E135 HydrophobicContact CD1-CB 4.11Å; E135-R140 HydrophobicContact CB-CG 4.02Å; E135-R140 HydrophobicContact CG-CG 3.84Å; E135-R140 IonicContact OE2-CZ 2.7Å; E135-R140 IonicContact OE2-NE 3.35Å; E135-R140 PolarHBondContact OE2-NE 2.94Å; E135-R140 IonicContact OE2-NH2 3.34Å; E135-R140 PolarHBondContact OE2-NH2 2.96Å |
| 136 | N | 85.3 | Confident | 91.2 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 32% | 0.321 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | -179.6 | 170.7 | 68 | 22.1 | 0 | 0 | 0 | 110 | R138 G139 F141 | N136-R138 PolarHBondContact O-N 2.82Å; N136-R138 VanDerWaalsContact OD1-CA 3.31Å; N136-R138 WeakPolarHBondContact OD1-CA 3.38Å; N136-R138 WeakPolarHBondContact OD1-CB 3.34Å; N136-R138 PolarHBondContact OD1-N 2.94Å; N136-G139 PolarHBondContact N-O 3.22Å; N136-G139 PolarHBondContact O-N 3.19Å; N136-G139 PolarHBondContact OD1-N 3.32Å; N136-G139 VanDerWaalsContact OD1-N 3.17Å; N136-G139 PolarHBondContact OD1-O 3.42Å; N136-F141 HydrophobicContact CB-CE1 4.07Å; N136-F141 WeakPolarHBondContact ND2-CE1 3.35Å |
| 137 | Q | 83.9 | Confident | 91.6 | Very high | 190 Ų | 190 | 49 Ų | 49 | 89% | 0.888 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.3 | 178.4 | -66.1 | 177.2 | -0.2 | 0 | 0 | 114.3 | V109 | V109-Q137 HydrophobicContact CG1-CG 4.47Š|
| 138 | R | 83.8 | Confident | 91.2 | Very high | 179 Ų | 179 | 47.5 Ų | 47.5 | 68% | 0.675 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -1.7 | 177.8 | -61.2 | 174.6 | 57.2 | -167.2 | -3.2 | 112.7 | N136 | N136-R138 PolarHBondContact O-N 2.82Å; N136-R138 VanDerWaalsContact OD1-CA 3.31Å; N136-R138 WeakPolarHBondContact OD1-CA 3.38Å; N136-R138 WeakPolarHBondContact OD1-CB 3.34Å; N136-R138 PolarHBondContact OD1-N 2.94Å |
| 139 | G | 88.6 | Confident | 90 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 113.7 | -163.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N136 | N136-G139 PolarHBondContact N-O 3.22Å; N136-G139 PolarHBondContact O-N 3.19Å; N136-G139 PolarHBondContact OD1-N 3.32Å; N136-G139 VanDerWaalsContact OD1-N 3.17Å; N136-G139 PolarHBondContact OD1-O 3.42Å |
| 140 | R | 92.6 | Very high | 88.4 | Confident | 25 Ų | 25 | 56.9 Ų | 56.9 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 143 | -177.4 | -63.8 | 179.3 | -173 | 138.9 | 4 | 111.8 | Y98 G102 T104 L117 K134 E135 A166 | Y98-R140 HydrophobicContact CE2-CB 4.15Å; G102-R140 PolarHBondContact O-NH1 3.02Å; G102-R140 PolarHBondContact O-NH2 2.8Å; T104-R140 HydrophobicContact CG2-CG 4.25Å; L117-R140 HydrophobicContact CD1-CG 4.17Å; K134-R140 CarbonylContact O-C 3.5Å; K134-R140 WeakPolarHBondContact O-CA 3.43Å; E135-R140 HydrophobicContact CB-CG 4.02Å; E135-R140 HydrophobicContact CG-CG 3.84Å; E135-R140 IonicContact OE2-CZ 2.7Å; E135-R140 IonicContact OE2-NE 3.35Å; E135-R140 PolarHBondContact OE2-NE 2.94Å; E135-R140 IonicContact OE2-NH2 3.34Å; E135-R140 PolarHBondContact OE2-NH2 2.96Å; R140-A166 HydrophobicContact CB-CB 3.82Å; R140-A166 WeakPolarHBondContact O-CB 3.33Å; R140-A166 PolarHBondContact O-N 3.21Å |
| 141 | F | 94.8 | Very high | 86.3 | Confident | 42 Ų | 42 | 56.4 Ų | 56.4 | 18% | 0.184 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 144 | 179.5 | 67.6 | -78.9 | 0 | 0 | 0 | 111.4 | K134 N136 R143 A163 L164 | K134-F141 HydrophobicContact CB-CD1 4.35Å; K134-F141 HydrophobicContact CB-CE1 3.77Å; K134-F141 HydrophobicContact CB-CE2 4.24Å; K134-F141 HydrophobicContact CB-CZ 3.72Å; K134-F141 HydrophobicContact CD-CE2 4.5Å; K134-F141 HydrophobicContact CD-CZ 4.21Å; K134-F141 PolarHBondContact N-O 3.08Å; K134-F141 PolarHBondContact O-N 3.18Å; N136-F141 HydrophobicContact CB-CE1 4.07Å; N136-F141 WeakPolarHBondContact ND2-CE1 3.35Å; F141-R143 HydrophobicContact CD2-CB 4.3Å; F141-R143 HydrophobicContact CE2-CB 4.03Å; F141-A163 HydrophobicContact CD2-CB 4.01Å; F141-A163 HydrophobicContact CE2-CB 4.49Å; F141-L164 CarbonylContact C-O 3.55Å; F141-L164 WeakPolarHBondContact CA-O 3.46Å; F141-L164 WeakPolarHBondContact CB-O 3.36Å |
| 142 | L | 96.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 118.4 | 171.8 | -175.8 | 64 | 0 | 0 | 0 | 109.3 | L91 F94 M131 L133 I144 A163 L164 L169 | L91-L142 HydrophobicContact CD2-CD2 3.6Å; F94-L142 HydrophobicContact CD1-CD1 3.93Å; F94-L142 HydrophobicContact CD2-CD1 4.03Å; F94-L142 HydrophobicContact CD2-CD2 4.03Å; F94-L142 HydrophobicContact CE1-CD1 3.78Å; F94-L142 HydrophobicContact CE2-CD1 3.94Å; F94-L142 HydrophobicContact CE2-CD2 4.47Å; F94-L142 HydrophobicContact CG-CD1 4.06Å; F94-L142 HydrophobicContact CG-CD2 4.34Å; F94-L142 HydrophobicContact CZ-CD1 3.82Å; M131-L142 HydrophobicContact CB-CD1 4.31Å; L133-L142 HydrophobicContact CB-CD1 4.21Å; L133-L142 HydrophobicContact CD1-CB 4.42Å; L142-I144 HydrophobicContact CD2-CD1 4.06Å; L142-I144 HydrophobicContact CD2-CG1 4.41Å; L142-I144 HydrophobicContact CG-CD1 3.93Å; L142-I144 HydrophobicContact CG-CG1 4.27Å; L142-A163 CarbonylContact O-C 3.57Å; L142-A163 WeakPolarHBondContact O-CA 3.49Å; L142-L164 PolarHBondContact N-O 3.37Å; L142-L164 PolarHBondContact O-N 2.88Å; L142-L169 HydrophobicContact CB-CD2 3.94Å; L142-L169 HydrophobicContact CD2-CD2 3.86Å |
| 143 | R | 95.2 | Very high | 81.5 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 30% | 0.302 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 117.5 | 175.5 | -173.2 | 179.8 | 67 | 172.2 | 4.9 | 109.6 | M131 D132 K134 F141 T161 | M131-R143 WeakPolarHBondContact CA-O 3.29Å; D132-R143 PolarHBondContact N-O 3.37Å; D132-R143 PolarHBondContact O-N 2.92Å; D132-R143 IonicContact OD2-CZ 3.84Å; D132-R143 IonicContact OD2-NE 2.63Å; D132-R143 IonicContact OD2-NH2 3.28Å; D132-R143 PolarHBondContact OD2-NH2 2.99Å; K134-R143 VanDerWaalsContact CE-NH2 3.35Å; F141-R143 HydrophobicContact CD2-CB 4.3Å; F141-R143 HydrophobicContact CE2-CB 4.03Å; R143-T161 HydrophobicContact CG-CG2 3.78Å |
| 144 | I | 95.4 | Very high | 79.4 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.8 | 175.7 | -55.6 | 98 | 0 | 0 | 0 | 108.9 | 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 4.32Å; F87-I144 HydrophobicContact CE2-CG1 3.9Å; F87-I144 HydrophobicContact CZ-CD1 4.01Å; F87-I144 HydrophobicContact CZ-CG1 4.01Å; Y130-I144 CarbonylContact O-C 3.54Å; Y130-I144 VanDerWaalsContact O-CA 3.32Å; Y130-I144 WeakPolarHBondContact O-CA 3.42Å; M131-I144 HydrophobicContact CG-CG1 4.01Å; M131-I144 HydrophobicContact CG-CG2 4.18Å; L142-I144 HydrophobicContact CD2-CD1 4.06Å; L142-I144 HydrophobicContact CD2-CG1 4.41Å; L142-I144 HydrophobicContact CG-CD1 3.93Å; L142-I144 HydrophobicContact CG-CG1 4.27Å; I144-T161 CarbonylContact O-C 3.54Å; I144-T161 WeakPolarHBondContact O-CA 3.15Å; I144-T161 WeakPolarHBondContact O-CG2 3.45Å; I144-I162 HydrophobicContact CB-CG1 3.97Å; I144-I162 HydrophobicContact CD1-CD1 4.31Å; I144-I162 HydrophobicContact CD1-CG1 4.02Å; I144-I162 PolarHBondContact N-O 3.05Å; I144-I162 PolarHBondContact O-N 3.45Å; I144-L164 HydrophobicContact CD1-CD1 3.57Å; I144-L164 HydrophobicContact CD1-CD2 4.44Å; I144-L164 HydrophobicContact CD1-CG 4.46Å |
| 145 | R | 93.4 | Very high | 77.1 | Confident | 92 Ų | 92 | 73.5 Ų | 73.5 | 35% | 0.347 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.7 | 179.9 | 178.4 | 175.7 | 64.1 | 127.6 | 3.3 | 110.6 | Y129 Y130 T147 Q160 T161 | Y129-R145 CarbonylContact C-O 3.54Å; Y129-R145 WeakPolarHBondContact CA-O 3.32Å; Y130-R145 PolarHBondContact N-O 3.49Å; Y130-R145 PolarHBondContact O-N 2.83Å; R145-T147 HydrophobicContact CG-CG2 4.34Å; R145-Q160 CarbonylContact C-O 3.43Å; R145-Q160 WeakPolarHBondContact CA-O 3.25Å; R145-T161 HydrophobicContact CB-CG2 4.25Å; R145-T161 WeakPolarHBondContact CG-OG1 3.33Å |
| 146 | Q | 90.9 | Very high | 75.2 | Confident | 9 Ų | 9 | 76.5 Ų | 76.5 | 4% | 0.042 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 127.5 | 170.9 | -175.4 | -164.7 | -53.3 | 0 | 0 | 110.5 | L77 T78 K128 Y129 G159 Q160 | L77-Q146 HydrophobicContact CD1-CB 3.58Å; L77-Q146 HydrophobicContact CD1-CG 4.47Å; T78-Q146 PolarHBondContact O-OE1 3.44Å; K128-Q146 CarbonylContact O-C 3.53Å; K128-Q146 WeakPolarHBondContact O-CA 3.46Å; Y129-Q146 HydrophobicContact CD1-CB 3.79Å; Y129-Q146 HydrophobicContact CD1-CG 3.84Å; Y129-Q146 HydrophobicContact CE1-CB 3.77Å; Y129-Q146 HydrophobicContact CE1-CG 3.44Å; Y129-Q146 VanDerWaalsContact CE1-CG 3.44Å; Y129-Q146 VanDerWaalsContact CE1-OE1 3.26Å; Y129-Q146 PolarHBondContact OH-OE1 2.67Å; Q146-G159 CarbonylContact O-C 3.53Å; Q146-G159 WeakPolarHBondContact O-CA 3.49Å; Q146-Q160 HydrophobicContact CB-CB 4.31Å; Q146-Q160 PolarHBondContact N-O 3Å; Q146-Q160 PolarHBondContact O-N 3.17Å |
| 147 | T | 86.8 | Confident | 73.6 | Confident | 28 Ų | 28 | 76.3 Ų | 76.3 | 17% | 0.172 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 148.3 | 167.9 | 62.2 | 0 | 0 | 0 | 0 | 109.8 | R127 K128 Y130 R145 | R127-T147 WeakPolarHBondContact CA-O 3.4Å; K128-T147 PolarHBondContact N-O 2.77Å; K128-T147 PolarHBondContact O-N 3.48Å; K128-T147 PolarHBondContact O-OG1 3.37Å; Y130-T147 HydrophobicContact CD2-CG2 4.31Å; Y130-T147 HydrophobicContact CE2-CG2 4.01Å; Y130-T147 WeakPolarHBondContact CE2-OG1 3.33Å; R145-T147 HydrophobicContact CG-CG2 4.34Å |
| 148 | V | 78.1 | Confident | 72.4 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 32% | 0.321 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.2 | 171.8 | -174.6 | 0 | 0 | 0 | 0 | 107.4 | N126 R127 R150 | N126-V148 CarbonylContact O-C 3.57Å; N126-V148 WeakPolarHBondContact O-CA 3.31Å; R127-V148 HydrophobicContact CG-CG2 4.43Å; V148-R150 VanDerWaalsContact C-N 3.28Å; V148-R150 HydrophobicContact CG1-CG 4.12Å; V148-R150 PolarHBondContact O-N 3.28Å |
| 149 | N | 64.3 | Low | 71.5 | Confident | 111 Ų | 111 | 69.1 Ų | 69.1 | 59% | 0.594 | 42% | 0.42 | S | S | * | . | trans | -73.1 | 87.8 | 171.5 | -76.2 | 36.2 | 0 | 0 | 0 | 107.9 | N126 | N126-N149 PolarHBondContact O-N 2.78Š| ||
| 150 | R | 60.2 | Low | 71.4 | Confident | 143 Ų | 143 | 70.9 Ų | 70.9 | 54% | 0.54 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 131.2 | 161.5 | -64.4 | -174.7 | 179 | -177.5 | -1.7 | 106.3 | V148 L154 | V148-R150 VanDerWaalsContact C-N 3.28Å; V148-R150 HydrophobicContact CG1-CG 4.12Å; V148-R150 PolarHBondContact O-N 3.28Å; R150-L154 HydrophobicContact CB-CB 4.12Å |
| 151 | G | 51.3 | Low | 71.4 | Confident | 53 Ų | 53 | 71.8 Ų | 71.8 | 55% | 0.546 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 173.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G153 L154 | G151-G153 PolarHBondContact O-N 3.06Å; G151-G153 VanDerWaalsContact O-N 3.16Å; G151-L154 PolarHBondContact O-N 2.93Å |
| 152 | P | 39.5 | Very low | 71.4 | Confident | 148 Ų | 148 | 69.9 Ų | 69.9 | 96% | 0.961 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 122.8 | -176.8 | -19.8 | 30.3 | 0 | 0 | 0 | 110.8 | ||
| 153 | G | 52.3 | Low | 71.3 | Confident | 80 Ų | 80 | 70.8 Ų | 70.8 | 83% | 0.825 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.1 | -11.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117 | G151 | G151-G153 PolarHBondContact O-N 3.06Å; G151-G153 VanDerWaalsContact O-N 3.16Å |
| 154 | L | 51 | Low | 71.3 | Confident | 119 Ų | 119 | 67 Ų | 67 | 62% | 0.623 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -101.2 | 104.9 | 168.1 | -114.3 | 72.4 | 0 | 0 | 0 | 109 | R150 G151 | R150-L154 HydrophobicContact CB-CB 4.12Å; G151-L154 PolarHBondContact O-N 2.93Å |
| 155 | G | 46.4 | Very low | 71.3 | Confident | 64 Ų | 64 | 67.1 Ų | 67.1 | 66% | 0.66 | 42% | 0.418 | S | S | * | . | trans | -41.9 | 147.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A157 | G155-A157 VanDerWaalsContact C-N 3.34Å; G155-A157 PolarHBondContact O-N 3.43Å | ||
| 156 | S | 48.3 | Very low | 71.4 | Confident | 114 Ų | 114 | 62.9 Ų | 62.9 | 80% | 0.797 | 40% | 0.403 | S | S | * | . | trans | -50.3 | 95.6 | 172.8 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | Q158 | S156-Q158 PolarHBondContact O-N 3.35Å; S156-Q158 VanDerWaalsContact O-N 3.07Å | ||
| 157 | A | 52.6 | Low | 71.5 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | trans | -58.1 | 118.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 105.5 | G155 G159 | G155-A157 VanDerWaalsContact C-N 3.34Å; G155-A157 PolarHBondContact O-N 3.43Å; A157-G159 PolarHBondContact O-N 3.28Å | ||
| 158 | Q | 57.7 | Low | 71.9 | Confident | 190 Ų | 190 | 66.2 Ų | 66.2 | 89% | 0.888 | 42% | 0.418 | S | S | * | . | trans | -42 | 112.2 | -174.7 | -68.4 | -158.6 | -19.9 | 0 | 0 | 110 | S156 Q160 | S156-Q158 PolarHBondContact O-N 3.35Å; S156-Q158 VanDerWaalsContact O-N 3.07Å; Q158-Q160 PolarHBondContact O-N 3.33Å | ||
| 159 | G | 65.1 | Low | 72.8 | Confident | 29 Ų | 29 | 63.7 Ų | 63.7 | 30% | 0.299 | 40% | 0.403 | S | S | . | . | trans | -58.4 | 134.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q146 A157 T161 | Q146-G159 CarbonylContact O-C 3.53Å; Q146-G159 WeakPolarHBondContact O-CA 3.49Å; A157-G159 PolarHBondContact O-N 3.28Å; G159-T161 PolarHBondContact O-N 3.11Å; G159-T161 PolarHBondContact O-OG1 3.42Å | ||
| 160 | Q | 87.2 | Confident | 74.3 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 23% | 0.234 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 122.6 | 174.8 | -78.5 | -176.9 | 6.4 | 0 | 0 | 108.6 | R76 L77 R145 Q146 Q158 | R76-Q160 VanDerWaalsContact O-CB 3.28Å; R76-Q160 WeakPolarHBondContact O-CB 3.42Å; R76-Q160 WeakPolarHBondContact O-CG 3.48Å; L77-Q160 HydrophobicContact CD1-CB 4.25Å; R145-Q160 CarbonylContact C-O 3.43Å; R145-Q160 WeakPolarHBondContact CA-O 3.25Å; Q146-Q160 HydrophobicContact CB-CB 4.31Å; Q146-Q160 PolarHBondContact N-O 3Å; Q146-Q160 PolarHBondContact O-N 3.17Å; Q158-Q160 PolarHBondContact O-N 3.33Å |
| 161 | T | 91.9 | Very high | 76.1 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 28% | 0.276 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 138 | -175.7 | -53.6 | 0 | 0 | 0 | 0 | 110.3 | S75 R143 I144 R145 G159 | S75-T161 WeakPolarHBondContact CB-O 3.43Å; R143-T161 HydrophobicContact CG-CG2 3.78Å; I144-T161 CarbonylContact O-C 3.54Å; I144-T161 WeakPolarHBondContact O-CA 3.15Å; I144-T161 WeakPolarHBondContact O-CG2 3.45Å; R145-T161 HydrophobicContact CB-CG2 4.25Å; R145-T161 WeakPolarHBondContact CG-OG1 3.33Å; G159-T161 PolarHBondContact O-N 3.11Å; G159-T161 PolarHBondContact O-OG1 3.42Å |
| 162 | I | 94.6 | Very high | 78.3 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 157.9 | 168.2 | 61.7 | 177.4 | 0 | 0 | 0 | 109.5 | I65 E67 L77 I144 L164 | I65-I162 HydrophobicContact CB-CD1 4.36Å; I65-I162 HydrophobicContact CD1-CD1 4.46Å; I65-I162 HydrophobicContact CG2-CD1 3.74Å; E67-I162 HydrophobicContact CB-CB 4.42Å; E67-I162 HydrophobicContact CB-CG2 4.07Å; E67-I162 VanDerWaalsContact OE2-CA 3.22Å; E67-I162 WeakPolarHBondContact OE2-CA 3.08Å; E67-I162 WeakPolarHBondContact OE2-CB 3.02Å; L77-I162 HydrophobicContact CB-CD1 4.13Å; L77-I162 HydrophobicContact CB-CG1 4.49Å; L77-I162 HydrophobicContact CB-CG2 4.16Å; L77-I162 HydrophobicContact CD2-CD1 3.73Å; L77-I162 HydrophobicContact CD2-CG1 4.1Å; I144-I162 HydrophobicContact CB-CG1 3.97Å; I144-I162 HydrophobicContact CD1-CD1 4.31Å; I144-I162 HydrophobicContact CD1-CG1 4.02Å; I144-I162 PolarHBondContact N-O 3.05Å; I144-I162 PolarHBondContact O-N 3.45Å; I162-L164 HydrophobicContact CB-CD1 4.3Å; I162-L164 HydrophobicContact CD1-CD1 3.63Å; I162-L164 HydrophobicContact CG1-CD1 3.77Å |
| 163 | A | 94.6 | Very high | 81.1 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 105.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | K48 E67 F141 L142 | K48-A163 PolarHBondContact NZ-O 2.96Å; E67-A163 PolarHBondContact OE2-N 3.04Å; F141-A163 HydrophobicContact CD2-CB 4.01Å; F141-A163 HydrophobicContact CE2-CB 4.49Å; L142-A163 CarbonylContact O-C 3.57Å; L142-A163 WeakPolarHBondContact O-CA 3.49Å |
| 164 | L | 95 | Very high | 83.3 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.8 | -178.4 | -77.3 | 65.3 | 0 | 0 | 0 | 109.9 | F50 F141 L142 I144 I162 A166 L169 F172 | F50-L164 HydrophobicContact CD1-CD1 4.45Å; F50-L164 HydrophobicContact CE1-CD1 3.73Å; F50-L164 HydrophobicContact CE1-CG 3.93Å; F50-L164 HydrophobicContact CZ-CB 4.5Å; F50-L164 HydrophobicContact CZ-CD1 4.17Å; F50-L164 HydrophobicContact CZ-CG 3.98Å; F141-L164 CarbonylContact C-O 3.55Å; F141-L164 WeakPolarHBondContact CA-O 3.46Å; F141-L164 WeakPolarHBondContact CB-O 3.36Å; L142-L164 PolarHBondContact N-O 3.37Å; L142-L164 PolarHBondContact O-N 2.88Å; I144-L164 HydrophobicContact CD1-CD1 3.57Å; I144-L164 HydrophobicContact CD1-CD2 4.44Å; I144-L164 HydrophobicContact CD1-CG 4.46Å; I162-L164 HydrophobicContact CB-CD1 4.3Å; I162-L164 HydrophobicContact CD1-CD1 3.63Å; I162-L164 HydrophobicContact CG1-CD1 3.77Å; L164-A166 PolarHBondContact O-N 3.25Å; L164-L169 HydrophobicContact CB-CD2 4.19Å; L164-L169 HydrophobicContact CD2-CD2 4.34Å; L164-F172 HydrophobicContact CD2-CB 4.21Å; L164-F172 HydrophobicContact CD2-CD1 3.7Å; L164-F172 HydrophobicContact CD2-CD2 3.59Å; L164-F172 HydrophobicContact CD2-CE1 3.94Å; L164-F172 HydrophobicContact CD2-CE2 3.81Å; L164-F172 HydrophobicContact CD2-CG 3.54Å; L164-F172 HydrophobicContact CD2-CZ 3.99Å; L164-F172 HydrophobicContact CG-CD2 4.28Å; L164-F172 HydrophobicContact CG-CE2 4.36Å |
| 165 | P | 95.7 | Very high | 85.5 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 136.9 | 170 | -21.3 | 33.2 | 0 | 0 | 0 | 111.2 | I45 Q46 K48 Q167 G168 | I45-P165 HydrophobicContact CB-CG 4.43Å; I45-P165 HydrophobicContact CG2-CB 3.73Å; I45-P165 HydrophobicContact CG2-CG 3.71Å; Q46-P165 HydrophobicContact CG-CB 4.23Å; Q46-P165 HydrophobicContact CG-CG 4.38Å; K48-P165 HydrophobicContact CD-CG 4.41Å; P165-Q167 PolarHBondContact O-N 3.41Å; P165-G168 PolarHBondContact O-N 2.94Å; P165-G168 VanDerWaalsContact O-N 3.09Å |
| 166 | A | 94.9 | Very high | 87.8 | Confident | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -60.5 | -31.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y98 L133 R140 L164 G168 L169 | Y98-A166 HydrophobicContact CD2-CB 3.79Å; Y98-A166 HydrophobicContact CE1-CB 4.27Å; Y98-A166 HydrophobicContact CE2-CB 3.53Å; Y98-A166 HydrophobicContact CG-CB 4.28Å; L133-A166 HydrophobicContact CD1-CB 4.4Å; R140-A166 HydrophobicContact CB-CB 3.82Å; R140-A166 WeakPolarHBondContact O-CB 3.33Å; R140-A166 PolarHBondContact O-N 3.21Å; L164-A166 PolarHBondContact O-N 3.25Å; A166-G168 PolarHBondContact O-N 3.17Å; A166-L169 HydrophobicContact CB-CD1 4.26Å; A166-L169 WeakPolarHBondContact O-CG 3.49Å; A166-L169 PolarHBondContact O-N 3.22Å |
| 167 | Q | 93.8 | Very high | 90.1 | Very high | 102 Ų | 102 | 41.3 Ų | 41.3 | 48% | 0.477 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -62.5 | -24.2 | 179.1 | -63.3 | 85.8 | -7.9 | 0 | 0 | 113.6 | P165 | P165-Q167 PolarHBondContact O-N 3.41Š|
| 168 | G | 95.7 | Very high | 92.2 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -103 | 9.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P165 A166 I170 E171 F172 | P165-G168 PolarHBondContact O-N 2.94Å; P165-G168 VanDerWaalsContact O-N 3.09Å; A166-G168 PolarHBondContact O-N 3.17Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 3.06Å; G168-E171 PolarHBondContact O-N 2.97Å; G168-F172 VanDerWaalsContact O-CB 3.28Å; G168-F172 WeakPolarHBondContact O-CB 3.22Å; G168-F172 PolarHBondContact O-N 3.26Å |
| 169 | L | 96.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.4 | -38.2 | -178.5 | -68.8 | 173.9 | 0 | 0 | 0 | 112.3 | L91 I95 L142 L164 A166 R173 | L91-L169 HydrophobicContact CD2-CD2 3.87Å; I95-L169 HydrophobicContact CD1-CB 4.17Å; I95-L169 HydrophobicContact CG1-CB 3.65Å; L142-L169 HydrophobicContact CB-CD2 3.94Å; L142-L169 HydrophobicContact CD2-CD2 3.86Å; L164-L169 HydrophobicContact CB-CD2 4.19Å; L164-L169 HydrophobicContact CD2-CD2 4.34Å; A166-L169 HydrophobicContact CB-CD1 4.26Å; A166-L169 WeakPolarHBondContact O-CG 3.49Å; A166-L169 PolarHBondContact O-N 3.22Å; L169-R173 VanDerWaalsContact O-CB 3.27Å; L169-R173 WeakPolarHBondContact O-CB 3.21Å; L169-R173 PolarHBondContact O-N 3.39Å |
| 170 | I | 96.9 | Very high | 95.2 | Very high | 87 Ų | 87 | 35.7 Ų | 35.7 | 45% | 0.446 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.4 | -52.9 | 178.9 | -61.8 | 173.5 | 0 | 0 | 0 | 110.3 | I95 G168 F172 R173 D174 | I95-I170 HydrophobicContact CD1-CB 4.48Å; I95-I170 HydrophobicContact CD1-CG1 3.92Å; I95-I170 HydrophobicContact CG1-CG1 4.06Å; I95-I170 HydrophobicContact CG2-CD1 4.14Å; I95-I170 HydrophobicContact CG2-CG1 3.78Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 3.06Å; I170-F172 VanDerWaalsContact C-N 3.29Å; I170-F172 PolarHBondContact O-N 2.9Å; I170-R173 WeakPolarHBondContact O-CB 3.4Å; I170-R173 PolarHBondContact O-N 3.49Å; I170-R173 VanDerWaalsContact O-N 3.15Å; I170-D174 VanDerWaalsContact O-CG 3.24Å; I170-D174 PolarHBondContact O-N 2.99Å |
| 171 | E | 97.5 | Very high | 95.5 | Very high | 101 Ų | 101 | 39 Ų | 39 | 47% | 0.472 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.4 | -40.4 | 179.3 | -168.6 | -173.4 | 170.5 | 0 | 0 | 111.7 | V43 G168 D174 A175 | V43-E171 HydrophobicContact CG1-CB 4.29Å; V43-E171 HydrophobicContact CG1-CG 3.79Å; G168-E171 PolarHBondContact O-N 2.97Å; E171-D174 PolarHBondContact O-N 3.26Å; E171-A175 VanDerWaalsContact O-CB 3.29Å; E171-A175 WeakPolarHBondContact O-CB 3.35Å; E171-A175 PolarHBondContact O-N 2.8Å |
| 172 | F | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 176.2 | -165.3 | -78.2 | 0 | 0 | 0 | 111.9 | I45 F50 L52 I65 F87 L91 L164 G168 I170 L176 | I45-F172 HydrophobicContact CD1-CB 4.34Å; I45-F172 HydrophobicContact CD1-CD2 4.31Å; F50-F172 HydrophobicContact CB-CD2 4.35Å; F50-F172 HydrophobicContact CB-CE2 3.92Å; F50-F172 HydrophobicContact CD1-CE2 4.04Å; F50-F172 HydrophobicContact CG-CD2 4.35Å; F50-F172 HydrophobicContact CG-CE2 4.02Å; L52-F172 HydrophobicContact CD1-CD2 4.3Å; L52-F172 HydrophobicContact CD1-CE2 3.65Å; L52-F172 HydrophobicContact CD1-CZ 3.97Å; L52-F172 HydrophobicContact CD2-CE1 4.18Å; L52-F172 HydrophobicContact CD2-CE2 4.36Å; L52-F172 HydrophobicContact CD2-CZ 3.99Å; L52-F172 HydrophobicContact CG-CE2 4.28Å; L52-F172 HydrophobicContact CG-CZ 4.08Å; I65-F172 HydrophobicContact CD1-CE1 4.47Å; I65-F172 HydrophobicContact CD1-CZ 4.06Å; I65-F172 HydrophobicContact CG1-CZ 4.4Å; I65-F172 HydrophobicContact CG2-CE2 4.24Å; I65-F172 HydrophobicContact CG2-CZ 3.87Å; F87-F172 AromaticContact CE1-CE1 3.91Å; F87-F172 HydrophobicContact CE1-CE1 3.91Å; L91-F172 HydrophobicContact CD1-CD1 3.85Å; L91-F172 HydrophobicContact CD1-CE1 4.38Å; L164-F172 HydrophobicContact CD2-CB 4.21Å; L164-F172 HydrophobicContact CD2-CD1 3.7Å; L164-F172 HydrophobicContact CD2-CD2 3.59Å; L164-F172 HydrophobicContact CD2-CE1 3.94Å; L164-F172 HydrophobicContact CD2-CE2 3.81Å; L164-F172 HydrophobicContact CD2-CG 3.54Å; L164-F172 HydrophobicContact CD2-CZ 3.99Å; L164-F172 HydrophobicContact CG-CD2 4.28Å; L164-F172 HydrophobicContact CG-CE2 4.36Å; G168-F172 VanDerWaalsContact O-CB 3.28Å; G168-F172 WeakPolarHBondContact O-CB 3.22Å; G168-F172 PolarHBondContact O-N 3.26Å; I170-F172 VanDerWaalsContact C-N 3.29Å; I170-F172 PolarHBondContact O-N 2.9Å; F172-L176 VanDerWaalsContact O-CB 3.28Å; F172-L176 WeakPolarHBondContact O-CB 3.29Å; F172-L176 PolarHBondContact O-N 3.32Å |
| 173 | R | 97.5 | Very high | 95.2 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 28% | 0.275 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 176 | -179 | -155.2 | 64.7 | -172.6 | -1.1 | 110.9 | R88 L91 I95 L169 I170 L176 A177 | R88-R173 HydrophobicContact CG-CG 4.14Å; L91-R173 HydrophobicContact CB-CB 4.17Å; L91-R173 HydrophobicContact CB-CG 4.2Å; L91-R173 HydrophobicContact CD1-CB 4.23Å; I95-R173 HydrophobicContact CD1-CB 4.08Å; I95-R173 HydrophobicContact CD1-CG 4.47Å; L169-R173 VanDerWaalsContact O-CB 3.27Å; L169-R173 WeakPolarHBondContact O-CB 3.21Å; L169-R173 PolarHBondContact O-N 3.39Å; I170-R173 WeakPolarHBondContact O-CB 3.4Å; I170-R173 PolarHBondContact O-N 3.49Å; I170-R173 VanDerWaalsContact O-N 3.15Å; R173-L176 WeakPolarHBondContact O-CB 3.47Å; R173-L176 PolarHBondContact O-N 2.86Å; R173-A177 WeakPolarHBondContact O-CB 3.39Å; R173-A177 PolarHBondContact O-N 2.85Å |
| 174 | D | 97.7 | Very high | 94.4 | Very high | 74 Ų | 74 | 44.8 Ų | 44.8 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.8 | -39.8 | -177 | -65.2 | -10.6 | 0 | 0 | 0 | 111.4 | I170 E171 L176 A177 K178 | I170-D174 VanDerWaalsContact O-CG 3.24Å; I170-D174 PolarHBondContact O-N 2.99Å; E171-D174 PolarHBondContact O-N 3.26Å; D174-L176 VanDerWaalsContact C-N 3.32Å; D174-L176 PolarHBondContact O-N 3.49Å; D174-A177 PolarHBondContact O-N 3.19Å; D174-K178 WeakPolarHBondContact O-CB 3.27Å; D174-K178 PolarHBondContact O-N 2.97Å |
| 175 | A | 97.4 | Very high | 93 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K41 V43 L52 E171 L179 | K41-A175 HydrophobicContact CG-CB 3.98Å; V43-A175 HydrophobicContact CG2-CB 3.7Å; L52-A175 HydrophobicContact CD2-CB 4.43Å; E171-A175 VanDerWaalsContact O-CB 3.29Å; E171-A175 WeakPolarHBondContact O-CB 3.35Å; E171-A175 PolarHBondContact O-N 2.8Å; A175-L179 WeakPolarHBondContact O-CG 3.24Å; A175-L179 PolarHBondContact O-N 2.82Å |
| 176 | L | 96.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.5 | -45.7 | 177.3 | -179.6 | 60.8 | 0 | 0 | 0 | 111.9 | L52 L63 A84 F87 R88 L91 F172 R173 D174 K178 L179 I180 | L52-L176 HydrophobicContact CD2-CB 4.33Å; L63-L176 HydrophobicContact CD2-CD1 3.28Å; A84-L176 HydrophobicContact CB-CD1 4.3Å; F87-L176 HydrophobicContact CD1-CD2 3.66Å; F87-L176 HydrophobicContact CE1-CD2 4.22Å; F87-L176 HydrophobicContact CG-CD2 4.46Å; R88-L176 HydrophobicContact CB-CD2 3.9Å; R88-L176 HydrophobicContact CB-CG 4.26Å; L91-L176 HydrophobicContact CD1-CD2 4.06Å; F172-L176 VanDerWaalsContact O-CB 3.28Å; F172-L176 WeakPolarHBondContact O-CB 3.29Å; F172-L176 PolarHBondContact O-N 3.32Å; R173-L176 WeakPolarHBondContact O-CB 3.47Å; R173-L176 PolarHBondContact O-N 2.86Å; D174-L176 VanDerWaalsContact C-N 3.32Å; D174-L176 PolarHBondContact O-N 3.49Å; L176-K178 PolarHBondContact O-N 2.81Å; L176-L179 PolarHBondContact O-N 2.84Å; L176-I180 HydrophobicContact CD1-CD1 4Å; L176-I180 HydrophobicContact CD1-CG1 4.39Å; L176-I180 HydrophobicContact CG-CD1 3.77Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.28Å; L176-I180 PolarHBondContact O-N 3.46Å |
| 177 | A | 96.3 | Very high | 88.9 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 12% | 0.116 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58 | -48.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | R88 R173 D174 L179 I180 D181 | R88-A177 HydrophobicContact CG-CB 4.1Å; R173-A177 WeakPolarHBondContact O-CB 3.39Å; R173-A177 PolarHBondContact O-N 2.85Å; D174-A177 PolarHBondContact O-N 3.19Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 2.96Å; A177-I180 CarbonylContact O-C 3.6Å; A177-I180 WeakPolarHBondContact O-CA 3.46Å; A177-I180 WeakPolarHBondContact O-CB 3.48Å; A177-I180 PolarHBondContact O-N 2.88Å; A177-D181 PolarHBondContact O-N 3.23Å |
| 178 | K | 95.3 | Very high | 86.6 | Confident | 131 Ų | 131 | 64.7 Ų | 64.7 | 57% | 0.57 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58 | -43.2 | 176.3 | -177.4 | 170.9 | -178.7 | 169.8 | 0 | 112.9 | D174 L176 I180 D181 D182 | D174-K178 WeakPolarHBondContact O-CB 3.27Å; D174-K178 PolarHBondContact O-N 2.97Å; L176-K178 PolarHBondContact O-N 2.81Å; K178-I180 VanDerWaalsContact C-N 3.27Å; K178-I180 PolarHBondContact O-N 2.89Å; K178-D181 PolarHBondContact O-N 2.95Å; K178-D182 WeakPolarHBondContact CE-OD2 3.45Å; K178-D182 WeakPolarHBondContact O-CB 3.15Å; K178-D182 VanDerWaalsContact O-CG 3.28Å; K178-D182 PolarHBondContact O-N 2.91Å |
| 179 | L | 94.8 | Very high | 84.5 | Confident | 12 Ų | 12 | 69.2 Ų | 69.2 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.1 | -31 | 176.9 | -71.3 | 173.6 | 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 4.47Å; K41-L179 HydrophobicContact CB-CG 4.49Å; L52-L179 HydrophobicContact CB-CD1 3.65Å; L52-L179 HydrophobicContact CD2-CD1 4.12Å; V54-L179 HydrophobicContact CG2-CB 4.03Å; V54-L179 HydrophobicContact CG2-CD1 4.19Å; V54-L179 HydrophobicContact CG2-CD2 3.94Å; V54-L179 HydrophobicContact CG2-CG 4.28Å; L63-L179 HydrophobicContact CD1-CD1 4.2Å; A175-L179 WeakPolarHBondContact O-CG 3.24Å; A175-L179 PolarHBondContact O-N 2.82Å; L176-L179 PolarHBondContact O-N 2.84Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 2.96Å; L179-Y183 HydrophobicContact CD2-CD2 4.32Å; L179-Y183 HydrophobicContact CD2-CE2 4.44Å; L179-Y183 WeakPolarHBondContact O-CA 3.48Å; L179-Y183 WeakPolarHBondContact O-CB 3.31Å; L179-Y183 PolarHBondContact O-N 2.86Å |
| 180 | I | 92.8 | Very high | 82.5 | Confident | 15 Ų | 15 | 71.9 Ų | 71.9 | 8% | 0.077 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -75.2 | -36 | 174.4 | -69.4 | 163.7 | 0 | 0 | 0 | 110.9 | M81 A84 V85 R88 L176 A177 K178 G184 | M81-I180 HydrophobicContact CE-CG1 4.18Å; A84-I180 HydrophobicContact CB-CD1 4.2Å; A84-I180 HydrophobicContact CB-CG1 4.42Å; A84-I180 WeakPolarHBondContact O-CD1 3.26Å; V85-I180 HydrophobicContact CG2-CD1 4.44Å; V85-I180 HydrophobicContact CG2-CG2 3.82Å; R88-I180 HydrophobicContact CB-CD1 3.96Å; R88-I180 HydrophobicContact CG-CD1 4.43Å; L176-I180 HydrophobicContact CD1-CD1 4Å; L176-I180 HydrophobicContact CD1-CG1 4.39Å; L176-I180 HydrophobicContact CG-CD1 3.77Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.28Å; L176-I180 PolarHBondContact O-N 3.46Å; A177-I180 CarbonylContact O-C 3.6Å; A177-I180 WeakPolarHBondContact O-CA 3.46Å; A177-I180 WeakPolarHBondContact O-CB 3.48Å; A177-I180 PolarHBondContact O-N 2.88Å; K178-I180 VanDerWaalsContact C-N 3.27Å; K178-I180 PolarHBondContact O-N 2.89Å; I180-G184 WeakPolarHBondContact O-CA 3.43Å; I180-G184 PolarHBondContact O-N 3.15Å |
| 181 | D | 92.3 | Very high | 80.7 | Confident | 120 Ų | 120 | 76.6 Ų | 76.6 | 64% | 0.642 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -71.1 | -41 | 177.7 | -61.3 | -23 | 0 | 0 | 0 | 110.5 | A177 K178 | A177-D181 PolarHBondContact O-N 3.23Å; K178-D181 PolarHBondContact O-N 2.95Å |
| 182 | D | 91.9 | Very high | 79.5 | Confident | 95 Ų | 95 | 74.3 Ų | 74.3 | 51% | 0.508 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -77.9 | -34.7 | -179.1 | -67.5 | -20 | 0 | 0 | 0 | 112.8 | K178 | K178-D182 WeakPolarHBondContact CE-OD2 3.45Å; K178-D182 WeakPolarHBondContact O-CB 3.15Å; K178-D182 VanDerWaalsContact O-CG 3.28Å; K178-D182 PolarHBondContact O-N 2.91Å |
| 183 | Y | 88.5 | Confident | 78.5 | Confident | 69 Ų | 69 | 78.3 Ų | 78.3 | 27% | 0.271 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -134.7 | 11.5 | -171.3 | -53.2 | -89.7 | 0 | 0 | 0 | 114 | L38 A39 V54 R61 L179 V185 | L38-Y183 HydrophobicContact CB-CD1 3.96Å; L38-Y183 HydrophobicContact CB-CE1 3.92Å; L38-Y183 HydrophobicContact CD1-CD1 4.18Å; A39-Y183 HydrophobicContact CB-CD2 4Å; A39-Y183 HydrophobicContact CB-CE1 4.32Å; A39-Y183 HydrophobicContact CB-CE2 3.42Å; A39-Y183 VanDerWaalsContact CB-CE2 3.42Å; V54-Y183 HydrophobicContact CG1-CG 4.24Å; R61-Y183 WeakPolarHBondContact CD-O 3.09Å; R61-Y183 VanDerWaalsContact NH1-C 3.3Å; R61-Y183 PolarHBondContact NH1-O 2.94Å; L179-Y183 HydrophobicContact CD2-CD2 4.32Å; L179-Y183 HydrophobicContact CD2-CE2 4.44Å; L179-Y183 WeakPolarHBondContact O-CA 3.48Å; L179-Y183 WeakPolarHBondContact O-CB 3.31Å; L179-Y183 PolarHBondContact O-N 2.86Å; Y183-V185 PolarHBondContact O-N 3.48Å |
| 184 | G | 78.4 | Confident | 77.4 | Confident | 22 Ų | 22 | 83.6 Ų | 83.6 | 23% | 0.227 | 44% | 0.444 | C | S | . | . | trans | -50 | 137.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | R61 I180 D186 | R61-G184 PolarHBondContact NH1-O 2.86Å; I180-G184 WeakPolarHBondContact O-CA 3.43Å; I180-G184 PolarHBondContact O-N 3.15Å; G184-D186 PolarHBondContact O-N 3.41Å; G184-D186 VanDerWaalsContact O-N 3.16Å | ||
| 185 | V | 65.5 | Low | 76.6 | Confident | 72 Ų | 72 | 81.9 Ų | 81.9 | 44% | 0.436 | 44% | 0.443 | S | S | . | . | trans | -72.9 | 112.2 | 167.8 | -165.3 | 0 | 0 | 0 | 0 | 103 | R61 M81 Y183 E187 | R61-V185 HydrophobicContact CB-CG2 4.1Å; M81-V185 HydrophobicContact CB-CG2 3.83Å; M81-V185 HydrophobicContact CG-CG2 3.87Å; Y183-V185 PolarHBondContact O-N 3.48Å; V185-E187 HydrophobicContact CB-CB 4.18Å; V185-E187 HydrophobicContact CG1-CB 3.8Å; V185-E187 HydrophobicContact CG1-CG 4.33Å; V185-E187 PolarHBondContact O-N 3.37Å | ||
| 186 | D | 52.1 | Low | 76.1 | Confident | 162 Ų | 162 | 86 Ų | 86 | 87% | 0.866 | 47% | 0.468 | S | S | * | . | trans | -59.4 | 75.7 | 145.7 | -78.6 | -37.2 | 0 | 0 | 0 | 104.4 | G184 E188 | G184-D186 PolarHBondContact O-N 3.41Å; G184-D186 VanDerWaalsContact O-N 3.16Å; D186-E188 PolarHBondContact O-N 3.41Å | ||
| 187 | E | 52.3 | Low | 75.8 | Confident | 139 Ų | 139 | 88.7 Ų | 88.7 | 65% | 0.65 | 49% | 0.486 | S | S | * | . | trans | -75.2 | 67 | 166 | -156.1 | 177 | -154 | 0 | 0 | 102.6 | V185 P189 | V185-E187 HydrophobicContact CB-CB 4.18Å; V185-E187 HydrophobicContact CG1-CB 3.8Å; V185-E187 HydrophobicContact CG1-CG 4.33Å; V185-E187 PolarHBondContact O-N 3.37Å; E187-P189 WeakPolarHBondContact O-CD 3.42Å | ||
| 188 | E | 46.2 | Very low | 75.6 | Confident | 155 Ų | 155 | 91.7 Ų | 91.7 | 72% | 0.724 | 50% | 0.5 | S | S | * | . | trans | -54.3 | 103.5 | 147 | -159.8 | 166.7 | -141 | 0 | 0 | 101.4 | D186 A190 | D186-E188 PolarHBondContact O-N 3.41Å; E188-A190 PolarHBondContact O-N 3.35Å | ||
| 189 | P | 51.7 | Low | 75.4 | Confident | 99 Ų | 99 | 89.6 Ų | 89.6 | 64% | 0.643 | 50% | 0.498 | S | S | * | . | trans | -52.9 | 123.8 | -179.6 | 22.3 | -29.3 | 0 | 0 | 0 | 103.3 | E187 E191 | E187-P189 WeakPolarHBondContact O-CD 3.42Å; P189-E191 PolarHBondContact O-N 2.93Å | ||
| 190 | A | 54.7 | Low | 75.2 | Confident | 58 Ų | 58 | 92.5 Ų | 92.5 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | trans | -38.4 | 120.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | E188 L192 | E188-A190 PolarHBondContact O-N 3.35Å; A190-L192 HydrophobicContact CB-CD2 4.41Å; A190-L192 HydrophobicContact CB-CG 4.19Å; A190-L192 VanDerWaalsContact O-CG 3.24Å; A190-L192 WeakPolarHBondContact O-CG 3.5Å; A190-L192 PolarHBondContact O-N 2.98Å | ||
| 191 | E | 57.3 | Low | 75.1 | Confident | 185 Ų | 185 | 99.3 Ų | 99.3 | 86% | 0.864 | 55% | 0.553 | S | S | * | * | trans | -62.2 | 89.8 | -172.5 | -76.5 | -169.2 | 154.7 | 0 | 0 | 107 | P189 | P189-E191 PolarHBondContact O-N 2.93Š| ||
| 192 | L | 73.6 | Confident | 74.9 | Confident | 53 Ų | 53 | 99.1 Ų | 99.1 | 28% | 0.277 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -98.4 | 136.7 | -176.7 | -70.6 | -178.2 | 0 | 0 | 0 | 105.6 | A190 E194 V209 G210 V216 | A190-L192 HydrophobicContact CB-CD2 4.41Å; A190-L192 HydrophobicContact CB-CG 4.19Å; A190-L192 VanDerWaalsContact O-CG 3.24Å; A190-L192 WeakPolarHBondContact O-CG 3.5Å; A190-L192 PolarHBondContact O-N 2.98Å; L192-E194 PolarHBondContact O-N 2.95Å; L192-V209 HydrophobicContact CB-CG1 4.24Å; L192-V209 HydrophobicContact CD1-CG1 4.31Å; L192-V209 HydrophobicContact CD2-CG1 3.98Å; L192-V209 HydrophobicContact CG-CG1 4.38Å; L192-G210 VanDerWaalsContact CD1-C 3.48Å; L192-V216 HydrophobicContact CD2-CG1 3.92Å; L192-V216 HydrophobicContact CD2-CG2 4.02Å |
| 193 | P | 77.1 | Confident | 74.9 | Confident | 85 Ų | 85 | 97.9 Ų | 97.9 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 142.4 | -179.7 | 24.5 | -33.8 | 0 | 0 | 0 | 110.3 | G195 V209 | P193-G195 PolarHBondContact O-N 2.9Å; P193-V209 HydrophobicContact CG-CB 4.02Å; P193-V209 HydrophobicContact CG-CG1 4.22Å; P193-V209 HydrophobicContact CG-CG2 3.84Å |
| 194 | E | 74.1 | Confident | 75.2 | Confident | 184 Ų | 184 | 100.3 Ų | 100.3 | 86% | 0.86 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 136.6 | 177.2 | -165.6 | 177.2 | 179 | 0 | 0 | 110.2 | L192 T196 | L192-E194 PolarHBondContact O-N 2.95Å; E194-T196 PolarHBondContact O-N 3.19Å |
| 195 | G | 80.3 | Confident | 76 | Confident | 38 Ų | 38 | 101.7 Ų | 101.7 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 138.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | P193 F207 | P193-G195 PolarHBondContact O-N 2.9Å; G195-F207 WeakPolarHBondContact CA-O 3.44Å |
| 196 | T | 86.4 | Confident | 77.3 | Confident | 98 Ų | 98 | 101.1 Ų | 101.1 | 60% | 0.601 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 154 | 176.3 | -61.3 | 0 | 0 | 0 | 0 | 110.1 | E194 F207 | E194-T196 PolarHBondContact O-N 3.19Å; T196-F207 PolarHBondContact N-O 2.87Å; T196-F207 PolarHBondContact O-N 3.13Å |
| 197 | S | 90.3 | Very high | 79.4 | Confident | 57 Ų | 57 | 96.4 Ų | 96.4 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 151.1 | 171.2 | 72.1 | 0 | 0 | 0 | 0 | 112.3 | F205 | S197-F205 CarbonylContact C-O 3.52Å; S197-F205 WeakPolarHBondContact CA-O 3.47Å; S197-F205 WeakPolarHBondContact CB-O 3.43Å |
| 198 | L | 92.3 | Very high | 81.2 | Confident | 77 Ų | 77 | 91.8 Ų | 91.8 | 40% | 0.403 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.4 | 173.1 | 60.7 | 94.5 | 0 | 0 | 0 | 109.6 | V200 R204 F205 F207 | L198-V200 HydrophobicContact CD1-CG2 3.78Å; L198-R204 WeakPolarHBondContact O-CA 3.21Å; L198-F205 HydrophobicContact CD1-CB 3.91Å; L198-F205 HydrophobicContact CD1-CD2 3.6Å; L198-F205 HydrophobicContact CD1-CG 4.11Å; L198-F205 HydrophobicContact CG-CB 4Å; L198-F205 PolarHBondContact N-O 3.48Å; L198-F205 PolarHBondContact O-N 3.34Å; L198-F207 HydrophobicContact CD2-CD2 4.44Å; L198-F207 HydrophobicContact CD2-CE2 3.41Å; L198-F207 VanDerWaalsContact CD2-CE2 3.41Å; L198-F207 HydrophobicContact CD2-CZ 3.84Å; L198-F207 HydrophobicContact CG-CE2 3.9Å |
| 199 | T | 91.7 | Very high | 83.3 | Confident | 87 Ų | 87 | 85.6 Ų | 85.6 | 53% | 0.534 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.2 | 177.9 | -57.9 | 0 | 0 | 0 | 0 | 108.6 | K203 R204 | T199-K203 WeakPolarHBondContact CA-O 3.48Å; T199-R204 PolarHBondContact OG1-NE 2.91Å |
| 200 | V | 91.3 | Very high | 84.9 | Confident | 73 Ų | 73 | 81.7 Ų | 81.7 | 44% | 0.442 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 121.8 | 176.7 | -178.3 | 0 | 0 | 0 | 0 | 107.4 | L198 N202 K203 | L198-V200 HydrophobicContact CD1-CG2 3.78Å; V200-N202 PolarHBondContact O-N 3.39Å; V200-K203 PolarHBondContact N-O 3.32Å; V200-K203 WeakPolarHBondContact O-CA 3.48Å; V200-K203 WeakPolarHBondContact O-CB 3.17Å; V200-K203 PolarHBondContact O-N 3.37Å; V200-K203 VanDerWaalsContact O-O 3.07Å |
| 201 | D | 88.7 | Confident | 86.1 | Confident | 157 Ų | 157 | 82.2 Ų | 82.2 | 84% | 0.84 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | -125.7 | -172.9 | -52.3 | -42.3 | 0 | 0 | 0 | 111.9 | K203 | D201-K203 VanDerWaalsContact C-N 3.32Š|
| 202 | N | 89.4 | Confident | 86.9 | Confident | 116 Ų | 116 | 76.9 Ų | 76.9 | 62% | 0.62 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 25.7 | 175.7 | -166 | 26.2 | 0 | 0 | 0 | 112.7 | V200 | V200-N202 PolarHBondContact O-N 3.39Š|
| 203 | K | 92.3 | Very high | 86.2 | Confident | 70 Ų | 70 | 79.7 Ų | 79.7 | 30% | 0.304 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 141.7 | 178.6 | -59.2 | -176.3 | -176 | -153.4 | 0 | 110.6 | T199 V200 D201 F205 E222 V223 K224 | T199-K203 WeakPolarHBondContact CA-O 3.48Å; V200-K203 PolarHBondContact N-O 3.32Å; V200-K203 WeakPolarHBondContact O-CA 3.48Å; V200-K203 WeakPolarHBondContact O-CB 3.17Å; V200-K203 PolarHBondContact O-N 3.37Å; V200-K203 VanDerWaalsContact O-O 3.07Å; D201-K203 VanDerWaalsContact C-N 3.32Å; K203-F205 HydrophobicContact CB-CE2 3.96Å; K203-F205 HydrophobicContact CB-CZ 4.43Å; K203-F205 HydrophobicContact CD-CE2 4.23Å; K203-F205 HydrophobicContact CD-CZ 4.01Å; K203-E222 HydrophobicContact CD-CG 4.27Å; K203-E222 VanDerWaalsContact CD-OE1 3.26Å; K203-E222 WeakPolarHBondContact CD-OE1 3.47Å; K203-E222 WeakPolarHBondContact CE-OE1 3.44Å; K203-E222 IonicContact NZ-OE1 2.77Å; K203-E222 PolarHBondContact NZ-OE1 3.46Å; K203-E222 IonicContact NZ-OE2 2.79Å; K203-V223 WeakPolarHBondContact CA-O 3.29Å; K203-K224 HydrophobicContact CG-CD 4.44Å; K203-K224 HydrophobicContact CG-CG 4.02Å |
| 204 | R | 93.7 | Very high | 85.9 | Confident | 119 Ų | 119 | 84.7 Ų | 84.7 | 45% | 0.449 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.9 | 167.8 | -169.4 | 176.1 | -67.9 | 176.2 | 4.4 | 109.8 | L198 T199 F206 V223 | L198-R204 WeakPolarHBondContact O-CA 3.21Å; T199-R204 PolarHBondContact OG1-NE 2.91Å; R204-F206 HydrophobicContact CB-CE2 4.1Å; R204-F206 HydrophobicContact CG-CD2 4.2Å; R204-F206 HydrophobicContact CG-CE2 3.68Å; R204-F206 HydrophobicContact CG-CZ 3.95Å; R204-V223 PolarHBondContact N-O 2.8Å; R204-V223 PolarHBondContact O-N 2.85Å |
| 205 | F | 96.1 | Very high | 86.1 | Confident | 52 Ų | 52 | 77.7 Ų | 77.7 | 23% | 0.228 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126.2 | 174 | -62.1 | -92.2 | 0 | 0 | 0 | 109.5 | S197 L198 K203 F207 S221 E222 | S197-F205 CarbonylContact C-O 3.52Å; S197-F205 WeakPolarHBondContact CA-O 3.47Å; S197-F205 WeakPolarHBondContact CB-O 3.43Å; L198-F205 HydrophobicContact CD1-CB 3.91Å; L198-F205 HydrophobicContact CD1-CD2 3.6Å; L198-F205 HydrophobicContact CD1-CG 4.11Å; L198-F205 HydrophobicContact CG-CB 4Å; L198-F205 PolarHBondContact N-O 3.48Å; L198-F205 PolarHBondContact O-N 3.34Å; K203-F205 HydrophobicContact CB-CE2 3.96Å; K203-F205 HydrophobicContact CB-CZ 4.43Å; K203-F205 HydrophobicContact CD-CE2 4.23Å; K203-F205 HydrophobicContact CD-CZ 4.01Å; F205-F207 HydrophobicContact CB-CE2 3.84Å; F205-F207 HydrophobicContact CB-CZ 4.28Å; F205-S221 CarbonylContact C-O 3.53Å; F205-S221 WeakPolarHBondContact CA-O 3.32Å; F205-E222 HydrophobicContact CD1-CB 3.98Å; F205-E222 HydrophobicContact CD1-CG 4.29Å; F205-E222 HydrophobicContact CE1-CB 3.72Å; F205-E222 HydrophobicContact CE1-CG 3.7Å; F205-E222 HydrophobicContact CZ-CG 4.05Å |
| 206 | F | 92.5 | Very high | 86.5 | Confident | 60 Ų | 60 | 78.1 Ų | 78.1 | 26% | 0.263 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 138.2 | 175.5 | -66.1 | -95.5 | 0 | 0 | 0 | 110 | R204 V220 S221 V223 | R204-F206 HydrophobicContact CB-CE2 4.1Å; R204-F206 HydrophobicContact CG-CD2 4.2Å; R204-F206 HydrophobicContact CG-CE2 3.68Å; R204-F206 HydrophobicContact CG-CZ 3.95Å; F206-V220 CarbonylContact O-C 3.52Å; F206-V220 VanDerWaalsContact O-CA 3.27Å; F206-V220 WeakPolarHBondContact O-CA 3.32Å; F206-S221 PolarHBondContact N-O 2.63Å; F206-S221 PolarHBondContact O-N 3.23Å; F206-V223 HydrophobicContact CD2-CB 4.44Å; F206-V223 HydrophobicContact CD2-CG2 3.69Å; F206-V223 HydrophobicContact CE2-CB 4.1Å; F206-V223 HydrophobicContact CE2-CG2 3.68Å |
| 207 | F | 95.4 | Very high | 86.8 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 27% | 0.272 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 86.4 | 178.1 | -60.7 | -98.3 | 0 | 0 | 0 | 108 | G195 T196 L198 F205 M218 V220 | G195-F207 WeakPolarHBondContact CA-O 3.44Å; T196-F207 PolarHBondContact N-O 2.87Å; T196-F207 PolarHBondContact O-N 3.13Å; L198-F207 HydrophobicContact CD2-CD2 4.44Å; L198-F207 HydrophobicContact CD2-CE2 3.41Å; L198-F207 VanDerWaalsContact CD2-CE2 3.41Å; L198-F207 HydrophobicContact CD2-CZ 3.84Å; L198-F207 HydrophobicContact CG-CE2 3.9Å; F205-F207 HydrophobicContact CB-CE2 3.84Å; F205-F207 HydrophobicContact CB-CZ 4.28Å; F207-M218 HydrophobicContact CB-SD 4.36Å; F207-M218 HydrophobicContact CD1-SD 4.06Å; F207-V220 HydrophobicContact CD1-CG1 4.11Å; F207-V220 HydrophobicContact CD1-CG2 3.87Å; F207-V220 HydrophobicContact CE1-CG1 3.76Å; F207-V220 HydrophobicContact CE1-CG2 4.11Å; F207-V220 HydrophobicContact CZ-CG1 4.19Å |
| 208 | D | 91.4 | Very high | 87 | Confident | 42 Ų | 42 | 74.8 Ų | 74.8 | 23% | 0.225 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.8 | -176.5 | -50 | -42.6 | 0 | 0 | 0 | 109.4 | M218 R219 | D208-M218 CarbonylContact O-C 3.52Å; D208-M218 WeakPolarHBondContact O-CA 3.31Å; D208-R219 HydrophobicContact CB-CB 4.47Å; D208-R219 PolarHBondContact N-O 3.48Å; D208-R219 PolarHBondContact O-N 2.86Å; D208-R219 IonicContact OD2-CZ 3.99Å; D208-R219 IonicContact OD2-NE 3.54Å; D208-R219 PolarHBondContact OD2-NE 3.28Å; D208-R219 IonicContact OD2-NH2 2.69Å; D208-R219 PolarHBondContact OD2-NH2 2.63Å |
| 209 | V | 89.7 | Confident | 87.1 | Confident | 26 Ų | 26 | 75.4 Ų | 75.4 | 16% | 0.158 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.7 | 167.9 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | L192 P193 V216 F217 M218 W238 | L192-V209 HydrophobicContact CB-CG1 4.24Å; L192-V209 HydrophobicContact CD1-CG1 4.31Å; L192-V209 HydrophobicContact CD2-CG1 3.98Å; L192-V209 HydrophobicContact CG-CG1 4.38Å; P193-V209 HydrophobicContact CG-CB 4.02Å; P193-V209 HydrophobicContact CG-CG1 4.22Å; P193-V209 HydrophobicContact CG-CG2 3.84Å; V209-V216 HydrophobicContact CG1-CG1 3.69Å; V209-F217 WeakPolarHBondContact CA-O 3.38Å; V209-M218 HydrophobicContact CG2-CE 3.92Å; V209-W238 HydrophobicContact CG1-CH2 3.84Å; V209-W238 HydrophobicContact CG1-CZ2 4.43Å; V209-W238 HydrophobicContact CG2-CH2 4.11Å |
| 210 | G | 84.6 | Confident | 87.3 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 18% | 0.175 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 161.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L192 V216 F217 | L192-G210 VanDerWaalsContact CD1-C 3.48Å; G210-V216 CarbonylContact O-C 3.52Å; G210-V216 WeakPolarHBondContact O-CA 3.35Å; G210-F217 PolarHBondContact N-O 3.35Å; G210-F217 VanDerWaalsContact O-CD1 3.32Å; G210-F217 WeakPolarHBondContact O-CD1 3.25Å; G210-F217 PolarHBondContact O-N 3.49Å; G210-F217 VanDerWaalsContact O-O 3.07Å |
| 211 | S | 81.3 | Confident | 87.5 | Confident | 68 Ų | 68 | 69.1 Ų | 69.1 | 48% | 0.476 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.3 | 170.2 | 58.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 212 | N | 73 | Confident | 87.7 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | -177.4 | 166.8 | 65.9 | 36.9 | 0 | 0 | 0 | 108.8 | Y214 G215 F217 | N212-Y214 PolarHBondContact O-N 3.22Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.47Å; N212-Y214 VanDerWaalsContact OD1-CB 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.43Å; N212-Y214 PolarHBondContact OD1-N 2.89Å; N212-G215 PolarHBondContact N-O 2.89Å; N212-G215 VanDerWaalsContact N-O 3.11Å; N212-G215 PolarHBondContact O-N 2.85Å; N212-F217 HydrophobicContact CB-CD1 4.43Å; N212-F217 HydrophobicContact CB-CE1 3.9Å; N212-F217 VanDerWaalsContact ND2-CD1 3.35Å; N212-F217 WeakPolarHBondContact ND2-CD1 3.3Å; N212-F217 WeakPolarHBondContact ND2-CE1 3.38Å |
| 213 | K | 59.3 | Low | 87.9 | Confident | 112 Ų | 112 | 60 Ų | 60 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -12.8 | 178.7 | 67.8 | 178.3 | -174.6 | 164.9 | 0 | 115.8 | K59 | K59-K213 HydrophobicContact CG-CD 4.1Š|
| 214 | Y | 71.4 | Confident | 87.8 | Confident | 189 Ų | 189 | 60.4 Ų | 60.4 | 74% | 0.741 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 2.7 | 177 | -58.2 | -70.1 | 0 | 0 | 0 | 113 | N212 | N212-Y214 PolarHBondContact O-N 3.22Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.47Å; N212-Y214 VanDerWaalsContact OD1-CB 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.43Å; N212-Y214 PolarHBondContact OD1-N 2.89Å |
| 215 | G | 77.6 | Confident | 87.5 | Confident | 37 Ų | 37 | 60 Ų | 60 | 38% | 0.381 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.2 | -172.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N212 | N212-G215 PolarHBondContact N-O 2.89Å; N212-G215 VanDerWaalsContact N-O 3.11Å; N212-G215 PolarHBondContact O-N 2.85Å |
| 216 | V | 88.8 | Confident | 87.1 | Confident | 48 Ų | 48 | 64 Ų | 64 | 29% | 0.291 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 139.9 | 175.7 | -178.7 | 0 | 0 | 0 | 0 | 110 | L192 V209 G210 C235 W238 | L192-V216 HydrophobicContact CD2-CG1 3.92Å; L192-V216 HydrophobicContact CD2-CG2 4.02Å; V209-V216 HydrophobicContact CG1-CG1 3.69Å; G210-V216 CarbonylContact O-C 3.52Å; G210-V216 WeakPolarHBondContact O-CA 3.35Å; V216-C235 HydrophobicContact CB-CB 3.88Å; V216-C235 HydrophobicContact CG1-CB 4.17Å; V216-C235 WeakPolarHBondContact O-CB 3.46Å; V216-C235 PolarHBondContact O-N 2.81Å; V216-W238 HydrophobicContact CG1-CH2 3.77Å; V216-W238 HydrophobicContact CG1-CZ2 4.16Å |
| 217 | F | 92.3 | Very high | 86.8 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 159.2 | 178 | 67.4 | -90.5 | 0 | 0 | 0 | 110.9 | V209 G210 N212 R219 T232 V233 | V209-F217 WeakPolarHBondContact CA-O 3.38Å; G210-F217 PolarHBondContact N-O 3.35Å; G210-F217 VanDerWaalsContact O-CD1 3.32Å; G210-F217 WeakPolarHBondContact O-CD1 3.25Å; G210-F217 PolarHBondContact O-N 3.49Å; G210-F217 VanDerWaalsContact O-O 3.07Å; N212-F217 HydrophobicContact CB-CD1 4.43Å; N212-F217 HydrophobicContact CB-CE1 3.9Å; N212-F217 VanDerWaalsContact ND2-CD1 3.35Å; N212-F217 WeakPolarHBondContact ND2-CD1 3.3Å; N212-F217 WeakPolarHBondContact ND2-CE1 3.38Å; F217-R219 HydrophobicContact CD2-CB 4.49Å; F217-R219 HydrophobicContact CE2-CB 4.24Å; F217-T232 HydrophobicContact CB-CG2 3.85Å; F217-T232 HydrophobicContact CD2-CG2 3.54Å; F217-T232 HydrophobicContact CE2-CG2 4.31Å; F217-T232 HydrophobicContact CG-CG2 3.81Å; F217-V233 CarbonylContact C-O 3.58Å; F217-V233 WeakPolarHBondContact CA-O 3.47Å |
| 218 | M | 94.5 | Very high | 86.6 | Confident | 50 Ų | 50 | 70.8 Ų | 70.8 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.1 | 171.2 | -177.7 | -179.6 | -70.2 | 0 | 0 | 108 | F207 D208 V209 V220 V233 W238 | F207-M218 HydrophobicContact CB-SD 4.36Å; F207-M218 HydrophobicContact CD1-SD 4.06Å; D208-M218 CarbonylContact O-C 3.52Å; D208-M218 WeakPolarHBondContact O-CA 3.31Å; V209-M218 HydrophobicContact CG2-CE 3.92Å; M218-V220 HydrophobicContact CG-CG2 4.16Å; M218-V220 HydrophobicContact SD-CG2 4.17Å; M218-V233 PolarHBondContact N-O 3.18Å; M218-V233 PolarHBondContact O-N 3.21Å; M218-W238 HydrophobicContact CB-CZ2 3.62Å |
| 219 | R | 94.6 | Very high | 86.7 | Confident | 90 Ų | 90 | 72.4 Ų | 72.4 | 34% | 0.34 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 114.6 | 170.8 | -174.7 | 176.7 | 61.1 | -151 | -4.5 | 108.7 | D208 F217 I231 | D208-R219 HydrophobicContact CB-CB 4.47Å; D208-R219 PolarHBondContact N-O 3.48Å; D208-R219 PolarHBondContact O-N 2.86Å; D208-R219 IonicContact OD2-CZ 3.99Å; D208-R219 IonicContact OD2-NE 3.54Å; D208-R219 PolarHBondContact OD2-NE 3.28Å; D208-R219 IonicContact OD2-NH2 2.69Å; D208-R219 PolarHBondContact OD2-NH2 2.63Å; F217-R219 HydrophobicContact CD2-CB 4.49Å; F217-R219 HydrophobicContact CE2-CB 4.24Å; R219-I231 WeakPolarHBondContact CA-O 3.28Å |
| 220 | V | 95.4 | Very high | 87 | Confident | 28 Ų | 28 | 73.8 Ų | 73.8 | 17% | 0.17 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111.8 | 174 | -173.7 | 0 | 0 | 0 | 0 | 107.6 | F206 F207 M218 S230 I231 | F206-V220 CarbonylContact O-C 3.52Å; F206-V220 VanDerWaalsContact O-CA 3.27Å; F206-V220 WeakPolarHBondContact O-CA 3.32Å; F207-V220 HydrophobicContact CD1-CG1 4.11Å; F207-V220 HydrophobicContact CD1-CG2 3.87Å; F207-V220 HydrophobicContact CE1-CG1 3.76Å; F207-V220 HydrophobicContact CE1-CG2 4.11Å; F207-V220 HydrophobicContact CZ-CG1 4.19Å; M218-V220 HydrophobicContact CG-CG2 4.16Å; M218-V220 HydrophobicContact SD-CG2 4.17Å; V220-S230 VanDerWaalsContact O-CA 3.23Å; V220-S230 WeakPolarHBondContact O-CA 3.09Å; V220-I231 HydrophobicContact CB-CD1 4.45Å; V220-I231 HydrophobicContact CB-CG1 3.92Å; V220-I231 PolarHBondContact N-O 3.09Å; V220-I231 PolarHBondContact O-N 3.2Å |
| 221 | S | 94.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.4 | -178.4 | -48.6 | 0 | 0 | 0 | 0 | 111.1 | F205 F206 R228 N229 | F205-S221 CarbonylContact C-O 3.53Å; F205-S221 WeakPolarHBondContact CA-O 3.32Å; F206-S221 PolarHBondContact N-O 2.63Å; F206-S221 PolarHBondContact O-N 3.23Å; S221-R228 PolarHBondContact OG-NH2 3.34Å; S221-N229 CarbonylContact C-O 3.57Å; S221-N229 VanDerWaalsContact CA-O 3.27Å; S221-N229 WeakPolarHBondContact CA-O 3.43Å |
| 222 | E | 94.3 | Very high | 88.1 | Confident | 43 Ų | 43 | 77.8 Ų | 77.8 | 20% | 0.201 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.9 | 163.6 | -179.7 | -176.2 | 160.6 | 0 | 0 | 108.9 | K203 F205 R228 N229 | K203-E222 HydrophobicContact CD-CG 4.27Å; K203-E222 VanDerWaalsContact CD-OE1 3.26Å; K203-E222 WeakPolarHBondContact CD-OE1 3.47Å; K203-E222 WeakPolarHBondContact CE-OE1 3.44Å; K203-E222 IonicContact NZ-OE1 2.77Å; K203-E222 PolarHBondContact NZ-OE1 3.46Å; K203-E222 IonicContact NZ-OE2 2.79Å; F205-E222 HydrophobicContact CD1-CB 3.98Å; F205-E222 HydrophobicContact CD1-CG 4.29Å; F205-E222 HydrophobicContact CE1-CB 3.72Å; F205-E222 HydrophobicContact CE1-CG 3.7Å; F205-E222 HydrophobicContact CZ-CG 4.05Å; E222-R228 WeakPolarHBondContact O-CA 3.41Å; E222-N229 PolarHBondContact N-O 2.85Å; E222-N229 PolarHBondContact O-N 2.83Å |
| 223 | V | 92.8 | Very high | 89.1 | Confident | 38 Ų | 38 | 74.8 Ų | 74.8 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.6 | -178.8 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | K203 R204 F206 R228 | K203-V223 WeakPolarHBondContact CA-O 3.29Å; R204-V223 PolarHBondContact N-O 2.8Å; R204-V223 PolarHBondContact O-N 2.85Å; F206-V223 HydrophobicContact CD2-CB 4.44Å; F206-V223 HydrophobicContact CD2-CG2 3.69Å; F206-V223 HydrophobicContact CE2-CB 4.1Å; F206-V223 HydrophobicContact CE2-CG2 3.68Å; V223-R228 HydrophobicContact CG2-CG 4Å |
| 224 | K | 90.8 | Very high | 90.8 | Very high | 79 Ų | 79 | 72.1 Ų | 72.1 | 34% | 0.343 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 164.7 | 166.4 | -69.6 | -175.2 | 177.1 | -177.3 | 0 | 108.9 | K203 T226 Y227 | K203-K224 HydrophobicContact CG-CD 4.44Å; K203-K224 HydrophobicContact CG-CG 4.02Å; K224-T226 PolarHBondContact O-N 2.85Å; K224-T226 VanDerWaalsContact O-N 3.09Å; K224-Y227 PolarHBondContact N-O 2.96Å; K224-Y227 PolarHBondContact O-N 2.89Å; K224-Y227 VanDerWaalsContact O-O 3.05Å |
| 225 | P | 86.4 | Confident | 91.8 | Very high | 110 Ų | 110 | 65.7 Ų | 65.7 | 71% | 0.714 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -34.2 | 178 | -29 | 35.9 | 0 | 0 | 0 | 114.7 | ||
| 226 | T | 89 | Confident | 92.5 | Very high | 137 Ų | 137 | 72.9 Ų | 72.9 | 84% | 0.84 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -6 | -175.8 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | K224 | K224-T226 PolarHBondContact O-N 2.85Å; K224-T226 VanDerWaalsContact O-N 3.09Å |
| 227 | Y | 86.3 | Confident | 92.8 | Very high | 121 Ų | 121 | 73.2 Ų | 73.2 | 48% | 0.475 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 136.9 | -169.5 | 179.8 | -106.8 | 0 | 0 | 0 | 111.9 | K224 N229 | K224-Y227 PolarHBondContact N-O 2.96Å; K224-Y227 PolarHBondContact O-N 2.89Å; K224-Y227 VanDerWaalsContact O-O 3.05Å; Y227-N229 HydrophobicContact CE1-CB 3.57Å; Y227-N229 WeakPolarHBondContact OH-CB 3.46Å |
| 228 | R | 91.3 | Very high | 92.9 | Very high | 143 Ų | 143 | 75 Ų | 75 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 125.1 | 173.4 | 178.2 | 167.2 | -175.8 | -121.2 | 0.5 | 109.8 | S221 E222 V223 | S221-R228 PolarHBondContact OG-NH2 3.34Å; E222-R228 WeakPolarHBondContact O-CA 3.41Å; V223-R228 HydrophobicContact CG2-CG 4Å |
| 229 | N | 93.1 | Very high | 92.9 | Very high | 77 Ų | 77 | 77 Ų | 77 | 41% | 0.412 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 149.9 | 172.6 | -163.4 | 11.3 | 0 | 0 | 0 | 109.8 | S221 E222 Y227 | S221-N229 CarbonylContact C-O 3.57Å; S221-N229 VanDerWaalsContact CA-O 3.27Å; S221-N229 WeakPolarHBondContact CA-O 3.43Å; E222-N229 PolarHBondContact N-O 2.85Å; E222-N229 PolarHBondContact O-N 2.83Å; Y227-N229 HydrophobicContact CE1-CB 3.57Å; Y227-N229 WeakPolarHBondContact OH-CB 3.46Å |
| 230 | S | 94.8 | Very high | 92.9 | Very high | 54 Ų | 54 | 80.3 Ų | 80.3 | 38% | 0.378 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 144.7 | 176.6 | 62.8 | 0 | 0 | 0 | 0 | 112.8 | V220 | V220-S230 VanDerWaalsContact O-CA 3.23Å; V220-S230 WeakPolarHBondContact O-CA 3.09Å |
| 231 | I | 95 | Very high | 92.9 | Very high | 85 Ų | 85 | 84 Ų | 84 | 44% | 0.436 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 154.1 | 167.2 | 62.8 | 169.4 | 0 | 0 | 0 | 110 | R219 V220 V233 F241 | R219-I231 WeakPolarHBondContact CA-O 3.28Å; V220-I231 HydrophobicContact CB-CD1 4.45Å; V220-I231 HydrophobicContact CB-CG1 3.92Å; V220-I231 PolarHBondContact N-O 3.09Å; V220-I231 PolarHBondContact O-N 3.2Å; I231-V233 HydrophobicContact CD1-CG2 3.93Å; I231-V233 HydrophobicContact CG1-CG2 4.27Å; I231-F241 HydrophobicContact CD1-CZ 4.26Å |
| 232 | T | 94.6 | Very high | 92.9 | Very high | 84 Ų | 84 | 85.5 Ų | 85.5 | 52% | 0.515 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.7 | 173.4 | -61.6 | 0 | 0 | 0 | 0 | 108.9 | F217 | F217-T232 HydrophobicContact CB-CG2 3.85Å; F217-T232 HydrophobicContact CD2-CG2 3.54Å; F217-T232 HydrophobicContact CE2-CG2 4.31Å; F217-T232 HydrophobicContact CG-CG2 3.81Å |
| 233 | V | 95.1 | Very high | 93 | Very high | 12 Ų | 12 | 88.9 Ų | 88.9 | 7% | 0.073 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 112.6 | -177.6 | -168.8 | 0 | 0 | 0 | 0 | 108.9 | F217 M218 I231 V237 W238 F241 | F217-V233 CarbonylContact C-O 3.58Å; F217-V233 WeakPolarHBondContact CA-O 3.47Å; M218-V233 PolarHBondContact N-O 3.18Å; M218-V233 PolarHBondContact O-N 3.21Å; I231-V233 HydrophobicContact CD1-CG2 3.93Å; I231-V233 HydrophobicContact CG1-CG2 4.27Å; V233-V237 HydrophobicContact CG1-CG2 3.69Å; V233-W238 PolarHBondContact O-NE1 2.89Å; V233-F241 HydrophobicContact CG1-CD2 4.26Å; V233-F241 HydrophobicContact CG1-CG 4.34Å; V233-F241 HydrophobicContact CG2-CE2 4.45Å |
| 234 | P | 94.3 | Very high | 93.1 | Very high | 55 Ų | 55 | 90.5 Ų | 90.5 | 36% | 0.357 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 142.1 | 176.7 | -23.3 | 34.2 | 0 | 0 | 0 | 112.5 | K236 V237 W238 | P234-K236 HydrophobicContact CB-CG 4.04Å; P234-K236 PolarHBondContact O-N 2.78Å; P234-K236 VanDerWaalsContact O-N 3.15Å; P234-V237 WeakPolarHBondContact O-CG2 3.28Å; P234-V237 PolarHBondContact O-N 2.82Å; P234-W238 PolarHBondContact O-NE1 2.88Å |
| 235 | C | 92.5 | Very high | 93.4 | Very high | 54 Ų | 54 | 93.7 Ų | 93.7 | 37% | 0.365 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -53.3 | -39.9 | -177.9 | 177.8 | 0 | 0 | 0 | 0 | 113.3 | V216 V237 W238 | V216-C235 HydrophobicContact CB-CB 3.88Å; V216-C235 HydrophobicContact CG1-CB 4.17Å; V216-C235 WeakPolarHBondContact O-CB 3.46Å; V216-C235 PolarHBondContact O-N 2.81Å; C235-V237 PolarHBondContact O-N 2.9Å; C235-W238 VanDerWaalsContact CA-CE2 3.46Å; C235-W238 HydrophobicContact CB-CD2 4.17Å; C235-W238 HydrophobicContact CB-CE3 4.36Å; C235-W238 HydrophobicContact CB-CH2 4.19Å; C235-W238 HydrophobicContact CB-CZ2 3.97Å; C235-W238 HydrophobicContact CB-CZ3 4.38Å; C235-W238 WeakPolarHBondContact O-CB 3.25Å; C235-W238 PolarHBondContact O-N 3.18Å |
| 236 | K | 91.7 | Very high | 93.9 | Very high | 188 Ų | 188 | 91.9 Ų | 91.9 | 82% | 0.817 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -56.1 | -16.3 | 178.2 | 66 | 177 | -177.4 | -178.6 | 0 | 115.7 | P234 | P234-K236 HydrophobicContact CB-CG 4.04Å; P234-K236 PolarHBondContact O-N 2.78Å; P234-K236 VanDerWaalsContact O-N 3.15Å |
| 237 | V | 94.9 | Very high | 94.3 | Very high | 55 Ų | 55 | 90.9 Ų | 90.9 | 33% | 0.333 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -113.1 | -0.6 | 178.1 | -58.3 | 0 | 0 | 0 | 0 | 114.2 | V233 P234 C235 S239 K240 F241 | V233-V237 HydrophobicContact CG1-CG2 3.69Å; P234-V237 WeakPolarHBondContact O-CG2 3.28Å; P234-V237 PolarHBondContact O-N 2.82Å; C235-V237 PolarHBondContact O-N 2.9Å; V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 2.81Å; V237-K240 PolarHBondContact O-N 3.46Å; V237-K240 VanDerWaalsContact O-N 3.13Å; V237-F241 WeakPolarHBondContact O-CB 3.42Å; V237-F241 PolarHBondContact O-N 2.83Å |
| 238 | W | 94.6 | Very high | 94.8 | Very high | 72 Ų | 72 | 91.6 Ų | 91.6 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.6 | -44.4 | -174.8 | -71.3 | -4.6 | 0 | 0 | 0 | 113 | V209 V216 M218 V233 P234 C235 K240 F241 G242 | V209-W238 HydrophobicContact CG1-CH2 3.84Å; V209-W238 HydrophobicContact CG1-CZ2 4.43Å; V209-W238 HydrophobicContact CG2-CH2 4.11Å; V216-W238 HydrophobicContact CG1-CH2 3.77Å; V216-W238 HydrophobicContact CG1-CZ2 4.16Å; M218-W238 HydrophobicContact CB-CZ2 3.62Å; V233-W238 PolarHBondContact O-NE1 2.89Å; P234-W238 PolarHBondContact O-NE1 2.88Å; C235-W238 VanDerWaalsContact CA-CE2 3.46Å; C235-W238 HydrophobicContact CB-CD2 4.17Å; C235-W238 HydrophobicContact CB-CE3 4.36Å; C235-W238 HydrophobicContact CB-CH2 4.19Å; C235-W238 HydrophobicContact CB-CZ2 3.97Å; C235-W238 HydrophobicContact CB-CZ3 4.38Å; C235-W238 WeakPolarHBondContact O-CB 3.25Å; C235-W238 PolarHBondContact O-N 3.18Å; W238-K240 VanDerWaalsContact C-N 3.33Å; W238-K240 PolarHBondContact O-N 3.16Å; W238-F241 PolarHBondContact O-N 2.82Å; W238-G242 PolarHBondContact O-N 2.74Å |
| 239 | S | 93.8 | Very high | 95 | Very high | 93 Ų | 93 | 87 Ų | 87 | 65% | 0.65 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.1 | -42.5 | 178.7 | -47.6 | 0 | 0 | 0 | 0 | 112.2 | V237 N243 | V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 2.81Å; S239-N243 VanDerWaalsContact O-CB 3.31Å; S239-N243 WeakPolarHBondContact O-CB 3.26Å; S239-N243 PolarHBondContact O-N 3.42Å; S239-N243 PolarHBondContact O-ND2 2.91Å; S239-N243 PolarHBondContact O-OD1 3.18Å |
| 240 | K | 95.4 | Very high | 95.1 | Very high | 158 Ų | 158 | 88.1 Ų | 88.1 | 69% | 0.687 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.9 | -41.4 | 177.5 | -67.5 | -176.5 | 179.8 | -178.7 | 0 | 111.5 | V237 W238 T244 | V237-K240 PolarHBondContact O-N 3.46Å; V237-K240 VanDerWaalsContact O-N 3.13Å; W238-K240 VanDerWaalsContact C-N 3.33Å; W238-K240 PolarHBondContact O-N 3.16Å; K240-T244 WeakPolarHBondContact O-CB 3.19Å; K240-T244 PolarHBondContact O-N 2.7Å; K240-T244 VanDerWaalsContact O-N 3.08Å; K240-T244 PolarHBondContact O-OG1 2.87Å |
| 241 | F | 95.5 | Very high | 95.2 | Very high | 107 Ų | 107 | 89.3 Ų | 89.3 | 47% | 0.469 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -48.8 | 178.6 | -167.2 | -84.2 | 0 | 0 | 0 | 111 | I231 V233 V237 W238 T244 F245 | I231-F241 HydrophobicContact CD1-CZ 4.26Å; V233-F241 HydrophobicContact CG1-CD2 4.26Å; V233-F241 HydrophobicContact CG1-CG 4.34Å; V233-F241 HydrophobicContact CG2-CE2 4.45Å; V237-F241 WeakPolarHBondContact O-CB 3.42Å; V237-F241 PolarHBondContact O-N 2.83Å; W238-F241 PolarHBondContact O-N 2.82Å; F241-T244 PolarHBondContact O-N 3.28Å; F241-F245 PolarHBondContact O-N 2.89Å |
| 242 | G | 94.4 | Very high | 95.2 | Very high | 30 Ų | 30 | 90.3 Ų | 90.3 | 31% | 0.309 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | W238 T244 F245 C246 | W238-G242 PolarHBondContact O-N 2.74Å; G242-T244 VanDerWaalsContact C-N 3.27Å; G242-T244 PolarHBondContact O-N 3.22Å; G242-F245 WeakPolarHBondContact O-CB 3.42Å; G242-F245 PolarHBondContact O-N 2.8Å; G242-F245 VanDerWaalsContact O-N 3.09Å; G242-C246 PolarHBondContact O-N 2.72Å; G242-C246 PolarHBondContact O-SG 3.19Å; G242-C246 VanDerWaalsContact O-SG 3.42Å |
| 243 | N | 95.8 | Very high | 95.2 | Very high | 115 Ų | 115 | 92.9 Ų | 92.9 | 62% | 0.615 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.3 | -41.4 | 177.4 | -70.1 | -7 | 0 | 0 | 0 | 112.1 | S239 C246 K247 | S239-N243 VanDerWaalsContact O-CB 3.31Å; S239-N243 WeakPolarHBondContact O-CB 3.26Å; S239-N243 PolarHBondContact O-N 3.42Å; S239-N243 PolarHBondContact O-ND2 2.91Å; S239-N243 PolarHBondContact O-OD1 3.18Å; N243-C246 PolarHBondContact O-N 3.07Å; N243-K247 WeakPolarHBondContact O-CB 3.22Å; N243-K247 PolarHBondContact O-N 2.95Å |
| 244 | T | 96.9 | Very high | 95.1 | Very high | 72 Ų | 72 | 97.6 Ų | 97.6 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 176.8 | -55.1 | 0 | 0 | 0 | 0 | 111 | K240 F241 G242 K247 Y248 | K240-T244 WeakPolarHBondContact O-CB 3.19Å; K240-T244 PolarHBondContact O-N 2.7Å; K240-T244 VanDerWaalsContact O-N 3.08Å; K240-T244 PolarHBondContact O-OG1 2.87Å; F241-T244 PolarHBondContact O-N 3.28Å; G242-T244 VanDerWaalsContact C-N 3.27Å; G242-T244 PolarHBondContact O-N 3.22Å; T244-K247 PolarHBondContact O-N 3.49Å; T244-Y248 HydrophobicContact CG2-CD2 3.89Å; T244-Y248 HydrophobicContact CG2-CE2 3.61Å; T244-Y248 WeakPolarHBondContact O-CD2 3.47Å; T244-Y248 PolarHBondContact O-N 2.77Å |
| 245 | F | 96.3 | Very high | 95.1 | Very high | 146 Ų | 146 | 98.7 Ų | 98.7 | 64% | 0.64 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.2 | -47.3 | 176.7 | -172 | -90.7 | 0 | 0 | 0 | 112.1 | F241 G242 K247 Y248 A249 | F241-F245 PolarHBondContact O-N 2.89Å; G242-F245 WeakPolarHBondContact O-CB 3.42Å; G242-F245 PolarHBondContact O-N 2.8Å; G242-F245 VanDerWaalsContact O-N 3.09Å; F245-K247 PolarHBondContact O-N 2.77Å; F245-Y248 PolarHBondContact O-N 2.82Å; F245-A249 PolarHBondContact O-N 2.85Å |
| 246 | C | 96.8 | Very high | 95 | Very high | 71 Ų | 71 | 102.3 Ų | 102.3 | 48% | 0.48 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 177.6 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | G242 N243 Y248 A249 E250 | G242-C246 PolarHBondContact O-N 2.72Å; G242-C246 PolarHBondContact O-SG 3.19Å; G242-C246 VanDerWaalsContact O-SG 3.42Å; N243-C246 PolarHBondContact O-N 3.07Å; C246-Y248 PolarHBondContact O-N 2.81Å; C246-A249 WeakPolarHBondContact O-CB 3.39Å; C246-A249 PolarHBondContact O-N 2.83Å; C246-E250 PolarHBondContact O-N 2.78Å |
| 247 | K | 96.7 | Very high | 95.1 | Very high | 117 Ų | 117 | 97.1 Ų | 97.1 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -55 | -50.4 | 176 | 179.9 | -173 | 171.7 | -173.9 | 0 | 111.5 | N243 T244 F245 A249 E250 E251 | N243-K247 WeakPolarHBondContact O-CB 3.22Å; N243-K247 PolarHBondContact O-N 2.95Å; T244-K247 PolarHBondContact O-N 3.49Å; F245-K247 PolarHBondContact O-N 2.77Å; K247-A249 VanDerWaalsContact C-N 3.34Å; K247-A249 PolarHBondContact O-N 2.9Å; K247-E250 PolarHBondContact O-N 3.27Å; K247-E251 WeakPolarHBondContact CE-OE1 3.21Å; K247-E251 IonicContact NZ-OE1 3.43Å; K247-E251 PolarHBondContact O-N 2.78Å |
| 248 | Y | 97.3 | Very high | 94.9 | Very high | 136 Ų | 136 | 101 Ų | 101 | 53% | 0.533 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68 | -33.4 | -179.9 | -75.3 | -59.7 | 0 | 0 | 0 | 112.9 | T244 F245 C246 E250 E251 M252 | T244-Y248 HydrophobicContact CG2-CD2 3.89Å; T244-Y248 HydrophobicContact CG2-CE2 3.61Å; T244-Y248 WeakPolarHBondContact O-CD2 3.47Å; T244-Y248 PolarHBondContact O-N 2.77Å; F245-Y248 PolarHBondContact O-N 2.82Å; C246-Y248 PolarHBondContact O-N 2.81Å; Y248-E250 VanDerWaalsContact C-N 3.32Å; Y248-E250 PolarHBondContact O-N 3.29Å; Y248-E251 WeakPolarHBondContact CD1-OE2 3.21Å; Y248-E251 PolarHBondContact O-N 2.99Å; Y248-M252 WeakPolarHBondContact O-CB 3.28Å; Y248-M252 WeakPolarHBondContact O-CG 3.36Å; Y248-M252 PolarHBondContact O-N 2.83Å |
| 249 | A | 95.6 | Very high | 94.4 | Very high | 47 Ų | 47 | 101 Ų | 101 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F245 C246 K247 R253 | F245-A249 PolarHBondContact O-N 2.85Å; C246-A249 WeakPolarHBondContact O-CB 3.39Å; C246-A249 PolarHBondContact O-N 2.83Å; K247-A249 VanDerWaalsContact C-N 3.34Å; K247-A249 PolarHBondContact O-N 2.9Å; A249-R253 PolarHBondContact O-N 2.92Å; A249-R253 VanDerWaalsContact O-N 3.13Å |
| 250 | E | 95.3 | Very high | 94.1 | Very high | 99 Ų | 99 | 105.2 Ų | 105.2 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 174.1 | -70.6 | 178.6 | -179.6 | 0 | 0 | 112.9 | C246 K247 Y248 M252 R253 K254 | C246-E250 PolarHBondContact O-N 2.78Å; K247-E250 PolarHBondContact O-N 3.27Å; Y248-E250 VanDerWaalsContact C-N 3.32Å; Y248-E250 PolarHBondContact O-N 3.29Å; E250-M252 VanDerWaalsContact C-N 3.32Å; E250-M252 PolarHBondContact O-N 3.23Å; E250-R253 WeakPolarHBondContact O-CB 3.4Å; E250-R253 PolarHBondContact O-N 3.4Å; E250-K254 WeakPolarHBondContact O-CG 3.48Å; E250-K254 PolarHBondContact O-N 2.92Å; E250-K254 VanDerWaalsContact O-N 3.08Å |
| 251 | E | 96.3 | Very high | 93.6 | Very high | 80 Ų | 80 | 103.6 Ų | 103.6 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 176.3 | -73.6 | -179.6 | 177.7 | 0 | 0 | 111.5 | K247 Y248 R253 K254 I255 | K247-E251 WeakPolarHBondContact CE-OE1 3.21Å; K247-E251 IonicContact NZ-OE1 3.43Å; K247-E251 PolarHBondContact O-N 2.78Å; Y248-E251 WeakPolarHBondContact CD1-OE2 3.21Å; Y248-E251 PolarHBondContact O-N 2.99Å; E251-R253 VanDerWaalsContact C-N 3.33Å; E251-R253 PolarHBondContact O-N 2.79Å; E251-K254 PolarHBondContact O-N 2.83Å; E251-I255 WeakPolarHBondContact O-CG1 3.44Å; E251-I255 PolarHBondContact O-N 2.82Å |
| 252 | M | 94.6 | Very high | 93 | Very high | 106 Ų | 106 | 105.1 Ų | 105.1 | 52% | 0.522 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 175.7 | -74.4 | -62.5 | -73.2 | 0 | 0 | 112.4 | Y248 E250 I255 Q256 | Y248-M252 WeakPolarHBondContact O-CB 3.28Å; Y248-M252 WeakPolarHBondContact O-CG 3.36Å; Y248-M252 PolarHBondContact O-N 2.83Å; E250-M252 VanDerWaalsContact C-N 3.32Å; E250-M252 PolarHBondContact O-N 3.23Å; M252-I255 PolarHBondContact O-N 3.36Å; M252-I255 HydrophobicContact SD-CD1 4.2Å; M252-Q256 WeakPolarHBondContact O-CG 3.46Å; M252-Q256 PolarHBondContact O-N 2.98Å |
| 253 | R | 94.6 | Very high | 92.4 | Very high | 137 Ų | 137 | 112.3 Ų | 112.3 | 52% | 0.517 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 174.9 | -165 | -169.4 | -43.6 | 171 | 10.2 | 111.5 | A249 E250 E251 I255 Q256 E257 | A249-R253 PolarHBondContact O-N 2.92Å; A249-R253 VanDerWaalsContact O-N 3.13Å; E250-R253 WeakPolarHBondContact O-CB 3.4Å; E250-R253 PolarHBondContact O-N 3.4Å; E251-R253 VanDerWaalsContact C-N 3.33Å; E251-R253 PolarHBondContact O-N 2.79Å; R253-I255 VanDerWaalsContact C-N 3.29Å; R253-I255 PolarHBondContact O-N 2.89Å; R253-Q256 PolarHBondContact O-N 2.76Å; R253-Q256 VanDerWaalsContact O-N 3.15Å; R253-E257 WeakPolarHBondContact O-CG 3.32Å; R253-E257 PolarHBondContact O-N 3.28Å |
| 254 | K | 94.3 | Very high | 91.5 | Very high | 112 Ų | 112 | 109.5 Ų | 109.5 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | 176.7 | -68 | 174.4 | -176.6 | 174.2 | 0 | 112.3 | E250 E251 R258 | E250-K254 WeakPolarHBondContact O-CG 3.48Å; E250-K254 PolarHBondContact O-N 2.92Å; E250-K254 VanDerWaalsContact O-N 3.08Å; E251-K254 PolarHBondContact O-N 2.83Å; K254-R258 WeakPolarHBondContact O-CB 3.17Å; K254-R258 WeakPolarHBondContact O-CG 3.21Å; K254-R258 PolarHBondContact O-N 3.48Å; K254-R258 VanDerWaalsContact O-N 3.08Å |
| 255 | I | 94.2 | Very high | 90.6 | Very high | 78 Ų | 78 | 109.6 Ų | 109.6 | 40% | 0.4 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 175.3 | -67.5 | 165.9 | 0 | 0 | 0 | 110.4 | E251 M252 R253 E257 R258 S259 | E251-I255 WeakPolarHBondContact O-CG1 3.44Å; E251-I255 PolarHBondContact O-N 2.82Å; M252-I255 PolarHBondContact O-N 3.36Å; M252-I255 HydrophobicContact SD-CD1 4.2Å; R253-I255 VanDerWaalsContact C-N 3.29Å; R253-I255 PolarHBondContact O-N 2.89Å; I255-E257 PolarHBondContact O-N 3.44Å; I255-R258 PolarHBondContact O-N 2.97Å; I255-S259 WeakPolarHBondContact O-CB 3.3Å; I255-S259 PolarHBondContact O-N 3.34Å; I255-S259 PolarHBondContact O-OG 2.82Å; I255-S259 VanDerWaalsContact O-OG 3.07Å |
| 256 | Q | 91.1 | Very high | 89.4 | Confident | 129 Ų | 129 | 110 Ų | 110 | 60% | 0.603 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 179.1 | -71.7 | 175.1 | 0.4 | 0 | 0 | 112.2 | M252 R253 S259 R260 | M252-Q256 WeakPolarHBondContact O-CG 3.46Å; M252-Q256 PolarHBondContact O-N 2.98Å; R253-Q256 PolarHBondContact O-N 2.76Å; R253-Q256 VanDerWaalsContact O-N 3.15Å; Q256-S259 PolarHBondContact O-N 3.44Å; Q256-R260 WeakPolarHBondContact O-CB 3.37Å; Q256-R260 PolarHBondContact O-N 2.92Å |
| 257 | E | 92.1 | Very high | 88 | Confident | 80 Ų | 80 | 112.9 Ų | 112.9 | 37% | 0.374 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.4 | -50.7 | 175.7 | -74.6 | 166.6 | 176.6 | 0 | 0 | 111.3 | R253 I255 S259 R260 E261 | R253-E257 WeakPolarHBondContact O-CG 3.32Å; R253-E257 PolarHBondContact O-N 3.28Å; I255-E257 PolarHBondContact O-N 3.44Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 2.98Å; E257-R260 WeakPolarHBondContact O-CB 3.39Å; E257-R260 PolarHBondContact O-N 3.27Å; E257-R260 VanDerWaalsContact O-N 3.08Å; E257-E261 WeakPolarHBondContact O-CG 3.31Å; E257-E261 PolarHBondContact O-N 2.91Å |
| 258 | R | 90.8 | Very high | 86.1 | Confident | 136 Ų | 136 | 113.7 Ų | 113.7 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 176 | -75.2 | -171.5 | -62.2 | -114.7 | 0.9 | 112.8 | K254 I255 R260 E261 K262 | K254-R258 WeakPolarHBondContact O-CB 3.17Å; K254-R258 WeakPolarHBondContact O-CG 3.21Å; K254-R258 PolarHBondContact O-N 3.48Å; K254-R258 VanDerWaalsContact O-N 3.08Å; I255-R258 PolarHBondContact O-N 2.97Å; R258-R260 VanDerWaalsContact C-N 3.31Å; R258-E261 PolarHBondContact O-N 2.75Å; R258-K262 WeakPolarHBondContact O-CB 3.29Å; R258-K262 WeakPolarHBondContact O-CG 3.39Å; R258-K262 PolarHBondContact O-N 2.97Å |
| 259 | S | 85.5 | Confident | 84.2 | Confident | 72 Ų | 72 | 112.6 Ų | 112.6 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 176.4 | -66.3 | 0 | 0 | 0 | 0 | 111.9 | I255 Q256 E257 R263 | I255-S259 WeakPolarHBondContact O-CB 3.3Å; I255-S259 PolarHBondContact O-N 3.34Å; I255-S259 PolarHBondContact O-OG 2.82Å; I255-S259 VanDerWaalsContact O-OG 3.07Å; Q256-S259 PolarHBondContact O-N 3.44Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 2.98Å; S259-R263 WeakPolarHBondContact O-CB 3.1Å; S259-R263 PolarHBondContact O-N 2.89Å; S259-R263 VanDerWaalsContact O-N 3.15Å |
| 260 | R | 87.7 | Confident | 82.4 | Confident | 181 Ų | 181 | 118.5 Ų | 118.5 | 68% | 0.683 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.3 | -43.2 | 176.2 | -171.6 | 177 | 70.6 | 179.8 | 1.5 | 111.7 | Q256 E257 R258 R263 A264 | Q256-R260 WeakPolarHBondContact O-CB 3.37Å; Q256-R260 PolarHBondContact O-N 2.92Å; E257-R260 WeakPolarHBondContact O-CB 3.39Å; E257-R260 PolarHBondContact O-N 3.27Å; E257-R260 VanDerWaalsContact O-N 3.08Å; R258-R260 VanDerWaalsContact C-N 3.31Å; R260-R263 PolarHBondContact O-N 2.84Å; R260-A264 WeakPolarHBondContact O-CB 3.32Å; R260-A264 PolarHBondContact O-N 2.67Å |
| 261 | E | 84.5 | Confident | 80.3 | Confident | 124 Ų | 124 | 116.4 Ų | 116.4 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.8 | -45.8 | 176.5 | -74.2 | 170.3 | -178.8 | 0 | 0 | 111.7 | E257 R258 R263 A264 S265 | E257-E261 WeakPolarHBondContact O-CG 3.31Å; E257-E261 PolarHBondContact O-N 2.91Å; R258-E261 PolarHBondContact O-N 2.75Å; E261-R263 VanDerWaalsContact C-N 3.35Å; E261-R263 PolarHBondContact O-N 3.04Å; E261-A264 PolarHBondContact O-N 3.07Å; E261-A264 VanDerWaalsContact O-N 3.16Å; E261-S265 PolarHBondContact O-N 3.28Å; E261-S265 PolarHBondContact O-OG 3.45Å |
| 262 | K | 83.1 | Confident | 78.1 | Confident | 139 Ų | 139 | 118.8 Ų | 118.8 | 60% | 0.604 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.5 | -46.1 | 174.4 | -77 | -177.6 | 177.1 | -168 | 0 | 112.5 | R258 A264 S265 E266 | R258-K262 WeakPolarHBondContact O-CB 3.29Å; R258-K262 WeakPolarHBondContact O-CG 3.39Å; R258-K262 PolarHBondContact O-N 2.97Å; K262-A264 VanDerWaalsContact C-N 3.3Å; K262-A264 PolarHBondContact O-N 2.93Å; K262-S265 WeakPolarHBondContact CA-OG 3.35Å; K262-S265 PolarHBondContact O-N 3.46Å; K262-S265 PolarHBondContact O-OG 2.78Å; K262-E266 WeakPolarHBondContact O-CG 3.22Å; K262-E266 PolarHBondContact O-N 3.17Å |
| 263 | R | 80.5 | Confident | 76.1 | Confident | 181 Ų | 181 | 121.9 Ų | 121.9 | 68% | 0.683 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.5 | -34.8 | 177.8 | -168.4 | 176.8 | -179.6 | -177.1 | 0.2 | 112.2 | S259 R260 E261 L267 | S259-R263 WeakPolarHBondContact O-CB 3.1Å; S259-R263 PolarHBondContact O-N 2.89Å; S259-R263 VanDerWaalsContact O-N 3.15Å; R260-R263 PolarHBondContact O-N 2.84Å; E261-R263 VanDerWaalsContact C-N 3.35Å; E261-R263 PolarHBondContact O-N 3.04Å; R263-L267 HydrophobicContact CG-CD1 4.37Å; R263-L267 WeakPolarHBondContact O-CD1 3.43Å; R263-L267 WeakPolarHBondContact O-CG 3.3Å; R263-L267 PolarHBondContact O-N 2.78Å |
| 264 | A | 77.9 | Confident | 74.1 | Confident | 57 Ų | 57 | 118.8 Ų | 118.8 | 47% | 0.471 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.2 | -37.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R260 E261 K262 L267 | R260-A264 WeakPolarHBondContact O-CB 3.32Å; R260-A264 PolarHBondContact O-N 2.67Å; E261-A264 PolarHBondContact O-N 3.07Å; E261-A264 VanDerWaalsContact O-N 3.16Å; K262-A264 VanDerWaalsContact C-N 3.3Å; K262-A264 PolarHBondContact O-N 2.93Å; A264-L267 PolarHBondContact O-N 3.11Å |
| 265 | S | 76.9 | Confident | 72 | Confident | 73 Ų | 73 | 117.6 Ų | 117.6 | 51% | 0.51 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70 | -32.7 | 176 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | E261 K262 L267 L268 | E261-S265 PolarHBondContact O-N 3.28Å; E261-S265 PolarHBondContact O-OG 3.45Å; K262-S265 WeakPolarHBondContact CA-OG 3.35Å; K262-S265 PolarHBondContact O-N 3.46Å; K262-S265 PolarHBondContact O-OG 2.78Å; S265-L267 PolarHBondContact O-N 3.17Å; S265-L268 PolarHBondContact O-N 2.99Å |
| 266 | E | 71.1 | Confident | 70.2 | Confident | 155 Ų | 155 | 121.6 Ų | 121.6 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -13.6 | 176.5 | -72.8 | 169.8 | -176.5 | 0 | 0 | 113.5 | K262 | K262-E266 WeakPolarHBondContact O-CG 3.22Å; K262-E266 PolarHBondContact O-N 3.17Å |
| 267 | L | 67.1 | Low | 68.3 | Low | 131 Ų | 131 | 122.4 Ų | 122.4 | 69% | 0.686 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -3.5 | 178.4 | -75.9 | 164.6 | 0 | 0 | 0 | 113.4 | R263 A264 S265 | R263-L267 HydrophobicContact CG-CD1 4.37Å; R263-L267 WeakPolarHBondContact O-CD1 3.43Å; R263-L267 WeakPolarHBondContact O-CG 3.3Å; R263-L267 PolarHBondContact O-N 2.78Å; A264-L267 PolarHBondContact O-N 3.11Å; S265-L267 PolarHBondContact O-N 3.17Å |
| 268 | L | 58.8 | Low | 66.7 | Low | 134 Ų | 134 | 121.4 Ų | 121.4 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -82.3 | 117.4 | 170 | -71.3 | 168.8 | 0 | 0 | 0 | 108 | S265 E270 | S265-L268 PolarHBondContact O-N 2.99Å; L268-E270 PolarHBondContact O-N 3.3Å |
| 269 | P | 55.6 | Low | 64.8 | Low | 113 Ų | 113 | 122.8 Ų | 122.8 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 138.2 | 175.4 | 3.5 | 7.7 | 0 | 0 | 0 | 108.8 | G271 | P269-G271 PolarHBondContact O-N 3.23Š|
| 270 | E | 58.3 | Low | 63.4 | Low | 172 Ų | 172 | 126.4 Ų | 126.4 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -52 | 120.1 | 160.1 | -74.1 | -160.8 | 150.2 | 0 | 0 | 107.2 | L268 | L268-E270 PolarHBondContact O-N 3.3Š|
| 271 | G | 52 | Low | 61.8 | Low | 55 Ų | 55 | 129 Ų | 129 | 57% | 0.567 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 149.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | P269 H273 | P269-G271 PolarHBondContact O-N 3.23Å; G271-H273 PolarHBondContact O-N 3.42Å |
| 272 | P | 49.9 | Very low | 60.7 | Low | 130 Ų | 130 | 129.2 Ų | 129.2 | 84% | 0.844 | 74% | 0.738 | S | S | * | * | trans | -56.4 | 115 | -172.6 | 24.7 | -31.9 | 0 | 0 | 0 | 108.3 | G274 | P272-G274 PolarHBondContact O-N 3.33Š| ||
| 273 | H | 52.7 | Low | 59.5 | Low | 171 Ų | 171 | 128.7 Ų | 128.7 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | -49.6 | 113.2 | 163 | -96.4 | -66.1 | 0 | 0 | 0 | 105.9 | G271 A275 | G271-H273 PolarHBondContact O-N 3.42Å; H273-A275 PolarHBondContact O-N 3.17Å | ||
| 274 | G | 51.9 | Low | 58.4 | Low | 72 Ų | 72 | 125.8 Ų | 125.8 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | -49.5 | 117 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | P272 D276 | P272-G274 PolarHBondContact O-N 3.33Å; G274-D276 VanDerWaalsContact C-N 3.3Å; G274-D276 PolarHBondContact O-N 3.47Å | ||
| 275 | A | 51.3 | Low | 57.2 | Low | 86 Ų | 86 | 129.8 Ų | 129.8 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -59.2 | 101.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | H273 D277 | H273-A275 PolarHBondContact O-N 3.17Å; A275-D277 PolarHBondContact O-N 3.29Å | ||
| 276 | D | 54.7 | Low | 56 | Low | 162 Ų | 162 | 133.4 Ų | 133.4 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | -83.6 | 73.1 | 157.4 | -163.8 | 43.2 | 0 | 0 | 0 | 105.6 | G274 | G274-D276 VanDerWaalsContact C-N 3.3Å; G274-D276 PolarHBondContact O-N 3.47Å | ||
| 277 | D | 52.7 | Low | 55 | Low | 146 Ų | 146 | 131.9 Ų | 131.9 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -72.4 | 123.5 | 160.6 | -83.6 | -41 | 0 | 0 | 0 | 106.4 | A275 | A275-D277 PolarHBondContact O-N 3.29Š| ||
| 278 | G | 57.8 | Low | 54.1 | Low | 60 Ų | 60 | 132 Ų | 132 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | trans | -70.2 | -179 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 279 | D | 51.7 | Low | 53.7 | Low | 165 Ų | 165 | 131.8 Ų | 131.8 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | -170.3 | 152.2 | 127.5 | -102.7 | -30.2 | 0 | 0 | 0 | 112 | |||||
| 280 | D | 54.7 | Low | 53.6 | Low | 148 Ų | 148 | 133.4 Ų | 133.4 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -35.9 | 143.3 | 172.6 | -86.8 | -57.7 | 0 | 0 | 0 | 117.1 | ||||
| 281 | D | 55.4 | Low | 53.2 | Low | 234 Ų | 234 | 129.9 Ų | 129.9 | 100% | 1.251 | 80% | 0.804 | S | S | * | * | -172.2 | 0 | 97.2 | -151.7 | 22.8 | 0 | 0 | 0 | 110.9 |
Retrieved 281 of 281 residues in 247.4 ms
(Link to these results)