| 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 | 43.6 | Very low | 46.5 | Very low | 240 Ų | 240 | 161.2 Ų | 161.2 | 100% | 1.182 | 85% | 0.847 | S | S | * | * | 0 | 138.6 | 0 | -71.2 | -175.8 | 172.1 | 0 | 0 | 107.7 | |||||
| 2 | L | 45.3 | Very low | 45.8 | Very low | 181 Ų | 181 | 156.6 Ų | 156.6 | 95% | 0.948 | 84% | 0.838 | S | S | * | * | trans | -59.8 | 134.3 | -147.4 | -68.2 | 93.2 | 0 | 0 | 0 | 115.5 | ||||
| 3 | G | 44.6 | Very low | 45.4 | Very low | 67 Ų | 67 | 154 Ų | 154 | 69% | 0.691 | 83% | 0.831 | S | S | * | * | trans | -89.3 | 117.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H5 | G3-H5 PolarHBondContact O-N 2.98Š| ||
| 4 | D | 54.3 | Low | 44.9 | Very low | 152 Ų | 152 | 157.6 Ų | 157.6 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | trans | -76 | 103.9 | 176.4 | -159.1 | -93.1 | 0 | 0 | 0 | 110 | S6 | D4-S6 PolarHBondContact O-N 3.05Š| ||
| 5 | H | 52.1 | Low | 44.2 | Very low | 175 Ų | 175 | 158.5 Ų | 158.5 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | -87.6 | 89.3 | 172.8 | -87.4 | 67.9 | 0 | 0 | 0 | 109.6 | G3 V7 | G3-H5 PolarHBondContact O-N 2.98Å; H5-V7 PolarHBondContact O-N 3.28Å; H5-V7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | S | 48.6 | Very low | 44.2 | Very low | 96 Ų | 96 | 156.3 Ų | 156.3 | 67% | 0.671 | 82% | 0.822 | S | S | * | * | trans | -67.4 | 97.7 | 167.4 | -166.3 | 0 | 0 | 0 | 0 | 110.2 | D4 K8 | D4-S6 PolarHBondContact O-N 3.05Å; S6-K8 PolarHBondContact O-N 3.49Å; S6-K8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | V | 53.6 | Low | 43.5 | Very low | 136 Ų | 136 | 158.8 Ų | 158.8 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | -73.6 | 99.8 | 171.2 | -82 | 0 | 0 | 0 | 0 | 109.9 | H5 R9 | H5-V7 PolarHBondContact O-N 3.28Å; H5-V7 VanDerWaalsContact O-N 3.09Å; V7-R9 PolarHBondContact O-N 3.14Å | ||
| 8 | K | 49.8 | Very low | 43.1 | Very low | 188 Ų | 188 | 153.7 Ų | 153.7 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | trans | -61.8 | 112 | 169.3 | -66.1 | 175.5 | -179.4 | 176.4 | 0 | 109.2 | S6 L10 | S6-K8 PolarHBondContact O-N 3.49Å; S6-K8 VanDerWaalsContact O-N 3.14Å; K8-L10 PolarHBondContact O-N 3.2Å; K8-L10 VanDerWaalsContact O-N 3.11Å | ||
| 9 | R | 38.8 | Very low | 42.5 | Very low | 249 Ų | 249 | 158.8 Ų | 158.8 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | trans | -60.6 | 108.8 | 163.9 | -91.5 | -179.2 | 173.7 | 153.2 | -1.8 | 108.7 | V7 T11 | V7-R9 PolarHBondContact O-N 3.14Å; R9-T11 PolarHBondContact O-N 2.82Å | ||
| 10 | L | 45.8 | Very low | 42.2 | Very low | 167 Ų | 167 | 154 Ų | 154 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -69 | 118.9 | 167.3 | -91.5 | 151.3 | 0 | 0 | 0 | 109.4 | K8 | K8-L10 PolarHBondContact O-N 3.2Å; K8-L10 VanDerWaalsContact O-N 3.11Å | ||
| 11 | T | 35.1 | Very low | 42.3 | Very low | 122 Ų | 122 | 158.6 Ų | 158.6 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -63.4 | 134.5 | 159.2 | 41 | 0 | 0 | 0 | 0 | 109.4 | R9 | R9-T11 PolarHBondContact O-N 2.82Š| ||
| 12 | S | 37.8 | Very low | 42.2 | Very low | 106 Ų | 106 | 158.6 Ų | 158.6 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -123.9 | 115.1 | 160.5 | -166.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 13 | V | 40.8 | Very low | 42.4 | Very low | 123 Ų | 123 | 154.4 Ų | 154.4 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | trans | -84 | 113.5 | 177.4 | 173.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 14 | Y | 38.2 | Very low | 42.4 | Very low | 205 Ų | 205 | 156 Ų | 156 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -133.2 | 93.7 | 160.7 | -93.6 | -89.8 | 0 | 0 | 0 | 109.5 | V16 | Y14-V16 HydrophobicContact CD1-CG2 4.08Š| ||
| 15 | Q | 34.2 | Very low | 42.4 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -96.1 | 108.9 | 162.9 | -173.1 | -176.1 | 82.7 | 0 | 0 | 106.8 | ||||
| 16 | V | 44.9 | Very low | 42.5 | Very low | 122 Ų | 122 | 152.1 Ų | 152.1 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | trans | -129.3 | 115.4 | 167.7 | -164.8 | 0 | 0 | 0 | 0 | 108 | Y14 | Y14-V16 HydrophobicContact CD1-CG2 4.08Š| ||
| 17 | K | 32.6 | Very low | 43 | Very low | 200 Ų | 200 | 153.2 Ų | 153.2 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | trans | -73.3 | 119.1 | 172.8 | -75.2 | 172.3 | 173.9 | 173 | 0 | 108.5 | ||||
| 18 | G | 35.3 | Very low | 43.2 | Very low | 66 Ų | 66 | 150.2 Ų | 150.2 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | trans | -160.4 | 126.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G20 | G18-G20 PolarHBondContact O-N 3.47Š| ||
| 19 | Y | 33 | Very low | 43.7 | Very low | 252 Ų | 252 | 142.7 Ų | 142.7 | 99% | 0.988 | 71% | 0.712 | S | S | * | * | trans | -66.7 | 96.1 | -175.1 | -62.3 | -96.2 | 0 | 0 | 0 | 111.2 | ||||
| 20 | G | 35.7 | Very low | 44.7 | Very low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 70% | 0.703 | S | S | * | * | trans | -144.5 | 131.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | G18 R22 | G18-G20 PolarHBondContact O-N 3.47Å; G20-R22 PolarHBondContact O-N 3.39Å; G20-R22 VanDerWaalsContact O-N 3.11Å | ||
| 21 | R | 44.4 | Very low | 45.4 | Very low | 251 Ų | 251 | 134.6 Ų | 134.6 | 95% | 0.947 | 69% | 0.692 | S | S | * | * | trans | -48.9 | 123.6 | -178.9 | -65.5 | -153.9 | -168 | -153.7 | 8.1 | 109.3 | Q23 | R21-Q23 VanDerWaalsContact C-N 3.33Å; R21-Q23 PolarHBondContact O-N 2.92Å | ||
| 22 | R | 41.5 | Very low | 46.9 | Very low | 239 Ų | 239 | 132.6 Ų | 132.6 | 90% | 0.902 | 68% | 0.681 | S | S | * | * | trans | -48.4 | 101 | 167 | -79.6 | 178.9 | 170.2 | 172.7 | -3.9 | 107.3 | G20 S24 | G20-R22 PolarHBondContact O-N 3.39Å; G20-R22 VanDerWaalsContact O-N 3.11Å; R22-S24 PolarHBondContact O-N 3.16Å | ||
| 23 | Q | 49.2 | Very low | 48.3 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 44% | 0.439 | 66% | 0.657 | S | S | . | * | trans | -66.4 | 89.7 | 161.2 | -84.9 | 173.5 | -4.2 | 0 | 0 | 104.2 | R21 Q25 N94 | R21-Q23 VanDerWaalsContact C-N 3.33Å; R21-Q23 PolarHBondContact O-N 2.92Å; Q23-Q25 VanDerWaalsContact C-N 3.3Å; Q23-Q25 PolarHBondContact O-N 2.86Å; Q23-N94 PolarHBondContact OE1-ND2 3.4Å | ||
| 24 | S | 44.8 | Very low | 50.4 | Low | 99 Ų | 99 | 124.5 Ų | 124.5 | 69% | 0.692 | 63% | 0.626 | S | S | * | * | trans | -57.2 | 104.9 | 164.2 | 10.1 | 0 | 0 | 0 | 0 | 103.7 | R22 R26 | R22-S24 PolarHBondContact O-N 3.16Å; S24-R26 PolarHBondContact O-N 3.13Å | ||
| 25 | Q | 53.6 | Low | 52.6 | Low | 126 Ų | 126 | 115.3 Ų | 115.3 | 59% | 0.589 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 116.3 | 167.2 | -68.8 | -151.9 | -14.5 | 0 | 0 | 105.7 | Q23 | Q23-Q25 VanDerWaalsContact C-N 3.3Å; Q23-Q25 PolarHBondContact O-N 2.86Å |
| 26 | R | 55.4 | Low | 55.2 | Low | 120 Ų | 120 | 107.1 Ų | 107.1 | 45% | 0.453 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 142.9 | 178.9 | -65.5 | 175.5 | -177.8 | -144 | -3.4 | 107 | S24 L28 D106 V107 E109 | S24-R26 PolarHBondContact O-N 3.13Å; R26-L28 PolarHBondContact O-N 3.41Å; R26-D106 IonicContact NE-OD1 3.66Å; R26-D106 PolarHBondContact NE-OD1 3.48Å; R26-V107 HydrophobicContact CB-CB 4.15Å; R26-V107 HydrophobicContact CB-CG2 4.47Å; R26-E109 IonicContact NH1-OE2 3.99Å |
| 27 | P | 58.8 | Low | 57.3 | Low | 119 Ų | 119 | 103.8 Ų | 103.8 | 77% | 0.773 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 135.1 | 176.6 | 25.1 | -33.4 | 0 | 0 | 0 | 108.6 | ||
| 28 | L | 57.3 | Low | 60 | Low | 73 Ų | 73 | 94.3 Ų | 94.3 | 38% | 0.382 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 127.7 | -179.5 | -65.8 | 156.8 | 0 | 0 | 0 | 108.1 | R26 S30 L84 L87 A88 L91 | R26-L28 PolarHBondContact O-N 3.41Å; L28-S30 PolarHBondContact O-N 3.24Å; L28-L84 HydrophobicContact CB-CD1 4.22Å; L28-L84 HydrophobicContact CB-CG 4.37Å; L28-L84 HydrophobicContact CD1-CD2 3.81Å; L28-L84 HydrophobicContact CD1-CG 4.48Å; L28-L87 HydrophobicContact CD2-CD2 3.97Å; L28-L87 HydrophobicContact CD2-CG 4.19Å; L28-A88 HydrophobicContact CD2-CB 4.45Å; L28-L91 HydrophobicContact CD2-CD1 4.12Å |
| 29 | P | 59.9 | Low | 62.6 | Low | 31 Ų | 31 | 91.2 Ų | 91.2 | 20% | 0.201 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 131.1 | 174.3 | 24.4 | -32.8 | 0 | 0 | 0 | 107.9 | E31 F34 L87 V107 | P29-E31 VanDerWaalsContact C-N 3.27Å; P29-F34 HydrophobicContact CG-CD1 4.33Å; P29-F34 VanDerWaalsContact O-CE1 3.27Å; P29-F34 WeakPolarHBondContact O-CE1 3.44Å; P29-L87 HydrophobicContact CG-CD2 3.98Å; P29-V107 HydrophobicContact CG-CG1 4.17Å |
| 30 | S | 59.7 | Low | 65.2 | Low | 107 Ų | 107 | 83.4 Ų | 83.4 | 75% | 0.748 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -80.6 | -9.4 | 179.8 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | L28 | L28-S30 PolarHBondContact O-N 3.24Š|
| 31 | E | 62.3 | Low | 67.6 | Low | 138 Ų | 138 | 80.6 Ų | 80.6 | 65% | 0.645 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -121.8 | 140.2 | -178.6 | -65.6 | -175.2 | 179.3 | 0 | 0 | 110.9 | P29 | P29-E31 VanDerWaalsContact C-N 3.27Š|
| 32 | P | 65.4 | Low | 69.3 | Low | 81 Ų | 81 | 68.9 Ų | 68.9 | 53% | 0.526 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -65.6 | 141.7 | 170.4 | 28.4 | -33.5 | 0 | 0 | 0 | 110 | F34 | P32-F34 HydrophobicContact CB-CD2 4.37Å; P32-F34 HydrophobicContact CB-CE2 4.16Å |
| 33 | P | 68.5 | Low | 71 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 24% | 0.24 | 34% | 0.338 | C | S | . | . | cis | -90.5 | 129.7 | 20.3 | 32.2 | -33.9 | 0 | 0 | 0 | 114.8 | T35 E80 D110 | P33-T35 PolarHBondContact O-N 3.48Å; P33-T35 PolarHBondContact O-OG1 2.9Å; P33-E80 HydrophobicContact CB-CG 4.02Å; P33-E80 WeakPolarHBondContact CB-OE1 3.46Å; P33-D110 HydrophobicContact CG-CB 4.16Å | ||
| 34 | F | 82.9 | Confident | 72.5 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 10% | 0.096 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 88 | 174.9 | -56.6 | -70.1 | 0 | 0 | 0 | 110 | P29 P32 F81 R82 L84 L87 | P29-F34 HydrophobicContact CG-CD1 4.33Å; P29-F34 VanDerWaalsContact O-CE1 3.27Å; P29-F34 WeakPolarHBondContact O-CE1 3.44Å; P32-F34 HydrophobicContact CB-CD2 4.37Å; P32-F34 HydrophobicContact CB-CE2 4.16Å; F34-F81 HydrophobicContact CB-CB 4.25Å; F34-F81 PolarHBondContact O-N 3.41Å; F34-R82 WeakPolarHBondContact CD2-O 3.46Å; F34-R82 WeakPolarHBondContact CE2-O 3.4Å; F34-L84 HydrophobicContact CD1-CB 4.05Å; F34-L84 HydrophobicContact CD1-CG 4.46Å; F34-L84 HydrophobicContact CE1-CB 3.67Å; F34-L84 HydrophobicContact CE1-CD1 4.08Å; F34-L84 HydrophobicContact CE1-CG 4.15Å; F34-L84 HydrophobicContact CE2-CB 4.42Å; F34-L84 HydrophobicContact CZ-CB 3.88Å; F34-L87 HydrophobicContact CB-CB 4.2Å; F34-L87 HydrophobicContact CB-CD2 4.12Å; F34-L87 HydrophobicContact CD1-CD2 4.39Å |
| 35 | T | 86 | Confident | 74.3 | Confident | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.3 | -174.1 | -46.5 | 0 | 0 | 0 | 0 | 111 | P33 Y78 V79 A108 | P33-T35 PolarHBondContact O-N 3.48Å; P33-T35 PolarHBondContact O-OG1 2.9Å; T35-Y78 HydrophobicContact CG2-CD1 4.28Å; T35-V79 CarbonylContact C-O 3.6Å; T35-V79 WeakPolarHBondContact CA-O 3.14Å; T35-A108 HydrophobicContact CG2-CB 3.78Å; T35-A108 WeakPolarHBondContact O-CA 3.47Å; T35-A108 WeakPolarHBondContact O-CB 3.43Å; T35-A108 PolarHBondContact O-N 3.19Å; T35-A108 VanDerWaalsContact O-O 3.09Å |
| 36 | A | 88.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 142.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y78 V79 F81 L87 V105 D106 | A36-Y78 CarbonylContact O-C 3.52Å; A36-Y78 WeakPolarHBondContact O-CA 3.49Å; A36-V79 PolarHBondContact N-O 2.84Å; A36-V79 PolarHBondContact O-N 2.82Å; A36-F81 HydrophobicContact CB-CD2 4.39Å; A36-F81 HydrophobicContact CB-CE2 3.63Å; A36-L87 HydrophobicContact CB-CD1 3.8Å; A36-V105 HydrophobicContact CB-CG1 4.18Å; A36-D106 CarbonylContact C-O 3.43Å; A36-D106 WeakPolarHBondContact CA-O 3.41Å |
| 37 | Y | 89.6 | Confident | 77.1 | Confident | 52 Ų | 52 | 53.1 Ų | 53.1 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.9 | 166.3 | 172.7 | -95.1 | 0 | 0 | 0 | 108.8 | F76 Y78 V105 D106 | Y37-F76 HydrophobicContact CD2-CD2 4.49Å; Y37-F76 HydrophobicContact CE2-CB 3.72Å; Y37-F76 AromaticContact CE2-CD2 3.7Å; Y37-F76 HydrophobicContact CE2-CD2 3.7Å; Y37-F76 HydrophobicContact CE2-CE2 4.47Å; Y37-F76 AromaticContact CE2-CG 3.85Å; Y37-F76 HydrophobicContact CE2-CG 3.85Å; Y37-F76 WeakPolarHBondContact OH-CB 3.41Å; Y37-Y78 HydrophobicContact CD2-CD1 4.33Å; Y37-Y78 AromaticContact CD2-CE1 3.76Å; Y37-Y78 HydrophobicContact CD2-CE1 3.76Å; Y37-V105 CarbonylContact O-C 3.59Å; Y37-V105 VanDerWaalsContact O-CA 3.28Å; Y37-V105 WeakPolarHBondContact O-CA 3.28Å; Y37-D106 HydrophobicContact CD1-CB 4.17Å; Y37-D106 PolarHBondContact N-O 3.43Å; Y37-D106 PolarHBondContact O-N 3.34Å |
| 38 | V | 89.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 113.6 | 174.7 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | L41 L50 F54 F76 A77 V79 R104 V105 | V38-L41 HydrophobicContact CB-CD1 4.22Å; V38-L41 HydrophobicContact CG1-CD1 3.92Å; V38-L41 HydrophobicContact CG1-CD2 3.85Å; V38-L41 HydrophobicContact CG1-CG 3.98Å; V38-L50 HydrophobicContact CG1-CD2 4.2Å; V38-F54 HydrophobicContact CG2-CE2 3.86Å; V38-F54 HydrophobicContact CG2-CZ 3.71Å; V38-F76 CarbonylContact O-C 3.56Å; V38-F76 WeakPolarHBondContact O-CA 3.47Å; V38-F76 WeakPolarHBondContact O-CB 3.29Å; V38-A77 PolarHBondContact N-O 2.77Å; V38-A77 PolarHBondContact O-N 3.18Å; V38-V79 HydrophobicContact CG2-CG2 4Å; V38-R104 CarbonylContact C-O 3.53Å; V38-R104 WeakPolarHBondContact CA-O 3.28Å; V38-V105 HydrophobicContact CG1-CG2 4.4Å; V38-V105 HydrophobicContact CG2-CG1 4.47Å; V38-V105 HydrophobicContact CG2-CG2 4.48Å |
| 39 | G | 89.3 | Confident | 79.7 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 170.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L41 R104 | G39-L41 VanDerWaalsContact C-N 3.26Å; G39-R104 PolarHBondContact N-O 3.35Å; G39-R104 PolarHBondContact O-N 2.87Å |
| 40 | N | 87.3 | Confident | 80.9 | Confident | 88 Ų | 88 | 45.5 Ų | 45.5 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 62.2 | 33.4 | -175.1 | -161 | 41.1 | 0 | 0 | 0 | 113.4 | G75 R102 | N40-G75 PolarHBondContact N-O 3.17Å; N40-R102 WeakPolarHBondContact CB-O 3.24Å; N40-R102 PolarHBondContact ND2-O 3.26Å |
| 41 | L | 85.4 | Confident | 82.1 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | trans | -78.2 | 141.6 | 175.4 | -68.6 | 165.9 | 0 | 0 | 0 | 109.8 | V38 G39 T45 L50 F73 G75 A77 L98 L103 | V38-L41 HydrophobicContact CB-CD1 4.22Å; V38-L41 HydrophobicContact CG1-CD1 3.92Å; V38-L41 HydrophobicContact CG1-CD2 3.85Å; V38-L41 HydrophobicContact CG1-CG 3.98Å; G39-L41 VanDerWaalsContact C-N 3.26Å; L41-T45 HydrophobicContact CB-CG2 4.47Å; L41-T45 HydrophobicContact CD1-CG2 4.42Å; L41-T45 HydrophobicContact CD2-CG2 4.08Å; L41-L50 HydrophobicContact CD1-CD1 4.33Å; L41-L50 HydrophobicContact CD1-CD2 3.95Å; L41-L50 HydrophobicContact CD2-CD2 3.77Å; L41-F73 HydrophobicContact CB-CE1 3.59Å; L41-F73 HydrophobicContact CB-CZ 4.1Å; L41-F73 HydrophobicContact CD1-CE1 4.27Å; L41-F73 HydrophobicContact CD1-CZ 3.91Å; L41-G75 PolarHBondContact N-O 3.01Å; L41-G75 WeakPolarHBondContact O-CA 3.33Å; L41-A77 HydrophobicContact CD1-CB 3.7Å; L41-L98 HydrophobicContact CD2-CD2 4.25Å; L41-L103 HydrophobicContact CD2-CD1 4.19Å; L41-L103 HydrophobicContact CD2-CD2 3.42Å; L41-L103 VanDerWaalsContact CD2-CD2 3.42Å; L41-L103 HydrophobicContact CD2-CG 4.43Å; L41-L103 HydrophobicContact CG-CD2 4.21Å | ||
| 42 | P | 81.5 | Confident | 83.1 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | trans | -62.9 | 153.5 | 173.1 | 18.9 | -24.7 | 0 | 0 | 0 | 112 | S44 T45 F73 F99 | P42-S44 PolarHBondContact O-N 3.24Å; P42-S44 VanDerWaalsContact O-N 3.13Å; P42-T45 WeakPolarHBondContact CD-OG1 3.45Å; P42-T45 WeakPolarHBondContact CG-OG1 3.1Å; P42-T45 WeakPolarHBondContact O-CB 3.35Å; P42-T45 PolarHBondContact O-N 3.32Å; P42-T45 PolarHBondContact O-OG1 3.41Å; P42-F73 WeakPolarHBondContact O-CD1 3.48Å; P42-F99 HydrophobicContact CG-CB 4.09Å; P42-F99 HydrophobicContact CG-CD2 3.51Å; P42-F99 HydrophobicContact CG-CE2 4.32Å; P42-F99 HydrophobicContact CG-CG 4.13Å | ||
| 43 | P | 77.7 | Confident | 83.9 | Confident | 79 Ų | 79 | 44.1 Ų | 44.1 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.3 | 179.6 | 26.4 | -34.7 | 0 | 0 | 0 | 113.2 | ||
| 44 | S | 80 | Confident | 84.6 | Confident | 78 Ų | 78 | 42.4 Ų | 42.4 | 55% | 0.545 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.7 | 176.2 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | P42 I46 | P42-S44 PolarHBondContact O-N 3.24Å; P42-S44 VanDerWaalsContact O-N 3.13Å; S44-I46 PolarHBondContact O-N 3.03Å |
| 45 | T | 82.7 | Confident | 84.4 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | trans | -68 | 123.3 | 179.4 | -66 | 0 | 0 | 0 | 0 | 110.8 | L41 P42 D49 L50 | L41-T45 HydrophobicContact CB-CG2 4.47Å; L41-T45 HydrophobicContact CD1-CG2 4.42Å; L41-T45 HydrophobicContact CD2-CG2 4.08Å; P42-T45 WeakPolarHBondContact CD-OG1 3.45Å; P42-T45 WeakPolarHBondContact CG-OG1 3.1Å; P42-T45 WeakPolarHBondContact O-CB 3.35Å; P42-T45 PolarHBondContact O-N 3.32Å; P42-T45 PolarHBondContact O-OG1 3.41Å; T45-D49 HydrophobicContact CG2-CB 4.12Å; T45-L50 HydrophobicContact CG2-CD2 4.3Å; T45-L50 HydrophobicContact CG2-CG 4.07Å | ||
| 46 | I | 81.6 | Confident | 84.1 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 43% | 0.431 | 28% | 0.279 | S | S | . | . | trans | -101.5 | 167.7 | 171.4 | 56.9 | 162.7 | 0 | 0 | 0 | 111.5 | S44 S48 D49 L50 | S44-I46 PolarHBondContact O-N 3.03Å; I46-S48 PolarHBondContact O-N 3.37Å; I46-S48 VanDerWaalsContact O-N 3.15Å; I46-D49 WeakPolarHBondContact CG1-OD2 3.45Å; I46-D49 PolarHBondContact N-OD2 3.24Å; I46-D49 WeakPolarHBondContact O-CB 3.42Å; I46-D49 PolarHBondContact O-N 3.22Å; I46-L50 PolarHBondContact O-N 2.86Å | ||
| 47 | Q | 85.4 | Confident | 83.9 | Confident | 103 Ų | 103 | 52.6 Ų | 52.6 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -54.5 | -36.4 | 177.2 | -167.5 | -176.5 | 47.1 | 0 | 0 | 111.9 | D49 L50 D51 T62 L64 | Q47-D49 VanDerWaalsContact C-N 3.33Å; Q47-D49 PolarHBondContact O-N 3.16Å; Q47-L50 PolarHBondContact O-N 3.4Å; Q47-D51 PolarHBondContact O-N 3.02Å; Q47-D51 VanDerWaalsContact O-N 3.08Å; Q47-T62 HydrophobicContact CG-CG2 3.76Å; Q47-T62 PolarHBondContact NE2-O 3.1Å; Q47-L64 HydrophobicContact CB-CD1 3.94Å |
| 48 | S | 85 | Confident | 83.7 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 19% | 0.189 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.9 | -28.3 | -179.8 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | I46 D51 R52 K217 | I46-S48 PolarHBondContact O-N 3.37Å; I46-S48 VanDerWaalsContact O-N 3.15Å; S48-D51 PolarHBondContact O-N 3.31Å; S48-R52 WeakPolarHBondContact O-CG 3.31Å; S48-R52 PolarHBondContact O-N 3.29Å; S48-K217 PolarHBondContact OG-NZ 3.21Å |
| 49 | D | 85.2 | Confident | 83.6 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 19% | 0.187 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.6 | -40.2 | 175.6 | -64.1 | -50.9 | 0 | 0 | 0 | 110.7 | T45 I46 Q47 D51 R52 F53 | T45-D49 HydrophobicContact CG2-CB 4.12Å; I46-D49 WeakPolarHBondContact CG1-OD2 3.45Å; I46-D49 PolarHBondContact N-OD2 3.24Å; I46-D49 WeakPolarHBondContact O-CB 3.42Å; I46-D49 PolarHBondContact O-N 3.22Å; Q47-D49 VanDerWaalsContact C-N 3.33Å; Q47-D49 PolarHBondContact O-N 3.16Å; D49-D51 VanDerWaalsContact C-N 3.33Å; D49-R52 PolarHBondContact O-N 3.22Å; D49-F53 WeakPolarHBondContact O-CB 3.32Å; D49-F53 PolarHBondContact O-N 3.4Å |
| 50 | L | 85.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 174.7 | -66.1 | 174.7 | 0 | 0 | 0 | 110.9 | V38 L41 T45 I46 Q47 R52 F53 F54 T62 L64 A77 V79 | V38-L50 HydrophobicContact CG1-CD2 4.2Å; L41-L50 HydrophobicContact CD1-CD1 4.33Å; L41-L50 HydrophobicContact CD1-CD2 3.95Å; L41-L50 HydrophobicContact CD2-CD2 3.77Å; T45-L50 HydrophobicContact CG2-CD2 4.3Å; T45-L50 HydrophobicContact CG2-CG 4.07Å; I46-L50 PolarHBondContact O-N 2.86Å; Q47-L50 PolarHBondContact O-N 3.4Å; L50-R52 PolarHBondContact O-N 3.3Å; L50-F53 PolarHBondContact O-N 3.48Å; L50-F54 HydrophobicContact CB-CD2 4.48Å; L50-F54 HydrophobicContact CD2-CE2 4.28Å; L50-F54 WeakPolarHBondContact O-CB 3.46Å; L50-F54 WeakPolarHBondContact O-CD2 3.46Å; L50-F54 PolarHBondContact O-N 2.88Å; L50-T62 HydrophobicContact CB-CG2 4.32Å; L50-T62 HydrophobicContact CD1-CG2 3.6Å; L50-L64 HydrophobicContact CD1-CD2 3.97Å; L50-A77 HydrophobicContact CD1-CB 3.46Å; L50-A77 VanDerWaalsContact CD1-CB 3.46Å; L50-V79 HydrophobicContact CD1-CG2 4.45Å |
| 51 | D | 85.7 | Confident | 83.4 | Confident | 91 Ų | 91 | 58 Ų | 58 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 178.1 | -151 | -113 | 0 | 0 | 0 | 112.1 | Q47 S48 D49 F54 E55 | Q47-D51 PolarHBondContact O-N 3.02Å; Q47-D51 VanDerWaalsContact O-N 3.08Å; S48-D51 PolarHBondContact O-N 3.31Å; D49-D51 VanDerWaalsContact C-N 3.33Å; D51-F54 CarbonylContact O-C 3.6Å; D51-F54 PolarHBondContact O-N 2.9Å; D51-E55 PolarHBondContact O-N 3.02Å |
| 52 | R | 83.3 | Confident | 83.5 | Confident | 179 Ų | 179 | 58.6 Ų | 58.6 | 68% | 0.675 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.3 | -38.9 | 173.5 | -73.6 | 178.1 | 178 | -169.8 | 0.3 | 112.8 | S48 D49 L50 F54 E55 | S48-R52 WeakPolarHBondContact O-CG 3.31Å; S48-R52 PolarHBondContact O-N 3.29Å; D49-R52 PolarHBondContact O-N 3.22Å; L50-R52 PolarHBondContact O-N 3.3Å; R52-F54 VanDerWaalsContact C-N 3.25Å; R52-F54 PolarHBondContact O-N 3.14Å; R52-E55 VanDerWaalsContact O-CB 3.26Å; R52-E55 WeakPolarHBondContact O-CB 3.23Å; R52-E55 PolarHBondContact O-N 2.97Å |
| 53 | F | 81.4 | Confident | 83.8 | Confident | 27 Ų | 27 | 64.3 Ų | 64.3 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.1 | -34.4 | -179.9 | -177.9 | -94.2 | 0 | 0 | 0 | 111.5 | D49 L50 Y93 N96 L98 L103 | D49-F53 WeakPolarHBondContact O-CB 3.32Å; D49-F53 PolarHBondContact O-N 3.4Å; L50-F53 PolarHBondContact O-N 3.48Å; F53-Y93 HydrophobicContact CE1-CD1 4.06Å; F53-Y93 HydrophobicContact CE1-CG 4.08Å; F53-Y93 AromaticContact CZ-CD1 3.9Å; F53-Y93 HydrophobicContact CZ-CD1 3.9Å; F53-Y93 HydrophobicContact CZ-CG 4.27Å; F53-N96 HydrophobicContact CE2-CB 3.91Å; F53-N96 VanDerWaalsContact CE2-ND2 3.31Å; F53-N96 WeakPolarHBondContact CE2-ND2 3.32Å; F53-N96 HydrophobicContact CZ-CB 3.63Å; F53-L98 HydrophobicContact CD2-CD1 3.85Å; F53-L98 HydrophobicContact CE2-CD1 4.5Å; F53-L103 HydrophobicContact CD1-CD1 4.3Å; F53-L103 HydrophobicContact CD2-CD1 4.21Å; F53-L103 HydrophobicContact CE1-CD1 3.93Å; F53-L103 HydrophobicContact CE2-CD1 3.82Å; F53-L103 HydrophobicContact CG-CD1 4.43Å; F53-L103 HydrophobicContact CZ-CD1 3.68Å |
| 54 | F | 83 | Confident | 84.4 | Confident | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 29.1 | 175.1 | -65.6 | -60.5 | 0 | 0 | 0 | 112.3 | V38 L50 D51 R52 G56 L57 I59 V79 F81 A90 V105 | V38-F54 HydrophobicContact CG2-CE2 3.86Å; V38-F54 HydrophobicContact CG2-CZ 3.71Å; L50-F54 HydrophobicContact CB-CD2 4.48Å; L50-F54 HydrophobicContact CD2-CE2 4.28Å; L50-F54 WeakPolarHBondContact O-CB 3.46Å; L50-F54 WeakPolarHBondContact O-CD2 3.46Å; L50-F54 PolarHBondContact O-N 2.88Å; D51-F54 CarbonylContact O-C 3.6Å; D51-F54 PolarHBondContact O-N 2.9Å; R52-F54 VanDerWaalsContact C-N 3.25Å; R52-F54 PolarHBondContact O-N 3.14Å; F54-G56 PolarHBondContact O-N 3.26Å; F54-L57 HydrophobicContact CB-CB 4.42Å; F54-L57 HydrophobicContact CB-CD1 3.94Å; F54-L57 HydrophobicContact CB-CG 4.31Å; F54-L57 HydrophobicContact CD1-CD1 3.57Å; F54-L57 HydrophobicContact CE1-CD1 4.49Å; F54-L57 HydrophobicContact CG-CD1 4.11Å; F54-L57 WeakPolarHBondContact O-CB 3.36Å; F54-L57 PolarHBondContact O-N 3.41Å; F54-I59 HydrophobicContact CB-CD1 3.82Å; F54-V79 HydrophobicContact CD2-CG2 4.37Å; F54-V79 HydrophobicContact CE2-CG2 3.99Å; F54-F81 HydrophobicContact CD1-CZ 4.42Å; F54-F81 HydrophobicContact CG-CZ 4.44Å; F54-A90 HydrophobicContact CD1-CB 4.31Å; F54-A90 HydrophobicContact CE1-CB 3.93Å; F54-V105 HydrophobicContact CZ-CG2 4.44Å |
| 55 | E | 79.6 | Confident | 84.8 | Confident | 160 Ų | 160 | 59.7 Ų | 59.7 | 75% | 0.748 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 123 | 176.4 | -175.7 | 173 | -163 | 0 | 0 | 109.9 | D51 R52 | D51-E55 PolarHBondContact O-N 3.02Å; R52-E55 VanDerWaalsContact O-CB 3.26Å; R52-E55 WeakPolarHBondContact O-CB 3.23Å; R52-E55 PolarHBondContact O-N 2.97Å |
| 56 | G | 78.5 | Confident | 85 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 72% | 0.722 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.6 | -1.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | F54 | F54-G56 PolarHBondContact O-N 3.26Š|
| 57 | L | 84.8 | Confident | 85.2 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -103.3 | 148.9 | 171.8 | -52.6 | -174.2 | 0 | 0 | 0 | 111.4 | F54 I59 F81 R89 A90 | F54-L57 HydrophobicContact CB-CB 4.42Å; F54-L57 HydrophobicContact CB-CD1 3.94Å; F54-L57 HydrophobicContact CB-CG 4.31Å; F54-L57 HydrophobicContact CD1-CD1 3.57Å; F54-L57 HydrophobicContact CE1-CD1 4.49Å; F54-L57 HydrophobicContact CG-CD1 4.11Å; F54-L57 WeakPolarHBondContact O-CB 3.36Å; F54-L57 PolarHBondContact O-N 3.41Å; L57-I59 PolarHBondContact O-N 3.01Å; L57-I59 VanDerWaalsContact O-N 3.08Å; L57-F81 HydrophobicContact CB-CD1 4.08Å; L57-F81 HydrophobicContact CB-CE1 3.71Å; L57-F81 HydrophobicContact CD1-CE1 3.7Å; L57-F81 HydrophobicContact CD1-CZ 3.98Å; L57-F81 HydrophobicContact CG-CE1 4.37Å; L57-R89 HydrophobicContact CD2-CB 3.61Å; L57-R89 HydrophobicContact CD2-CG 4.43Å; L57-A90 HydrophobicContact CD1-CB 3.87Å |
| 58 | N | 85.3 | Confident | 85 | Confident | 86 Ų | 86 | 69.9 Ų | 69.9 | 46% | 0.46 | 35% | 0.348 | S | S | . | . | trans | -85.4 | 80.7 | 179.9 | -70.7 | -5.1 | 0 | 0 | 0 | 111 | F81 R82 D83 S86 | N58-F81 CarbonylContact O-C 3.37Å; N58-F81 WeakPolarHBondContact O-CA 3.34Å; N58-R82 HydrophobicContact CB-CB 4.02Å; N58-R82 PolarHBondContact O-N 2.82Å; N58-D83 PolarHBondContact ND2-OD2 2.89Å; N58-S86 PolarHBondContact N-OG 3.37Å | ||
| 59 | I | 87.3 | Confident | 84.7 | Confident | 40 Ų | 40 | 75.8 Ų | 75.8 | 21% | 0.205 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 128.7 | 176.1 | -59.4 | 166.1 | 0 | 0 | 0 | 110 | F54 L57 T62 V79 E80 F81 | F54-I59 HydrophobicContact CB-CD1 3.82Å; L57-I59 PolarHBondContact O-N 3.01Å; L57-I59 VanDerWaalsContact O-N 3.08Å; I59-T62 WeakPolarHBondContact CG2-OG1 3.5Å; I59-V79 HydrophobicContact CB-CG1 4.47Å; I59-V79 HydrophobicContact CD1-CG1 4.14Å; I59-V79 HydrophobicContact CG1-CG1 3.85Å; I59-V79 HydrophobicContact CG2-CG1 3.85Å; I59-E80 CarbonylContact C-O 3.59Å; I59-F81 HydrophobicContact CG1-CD1 3.95Å; I59-F81 HydrophobicContact CG1-CE1 3.63Å |
| 60 | T | 86.7 | Confident | 84.4 | Confident | 84 Ų | 84 | 78.6 Ų | 78.6 | 52% | 0.515 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -47.3 | 171.8 | -58.8 | 0 | 0 | 0 | 0 | 111 | E80 R82 | T60-E80 PolarHBondContact N-O 2.79Å; T60-R82 PolarHBondContact OG1-N 3.41Å |
| 61 | A | 85.2 | Confident | 84.1 | Confident | 44 Ų | 44 | 83.6 Ų | 83.6 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 141.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E80 | A61-E80 HydrophobicContact CB-CB 4.26Å; A61-E80 PolarHBondContact N-O 3.41Å; A61-E80 WeakPolarHBondContact O-CB 3.44Å; A61-E80 PolarHBondContact O-N 3.27Å |
| 62 | T | 88.8 | Confident | 83.8 | Confident | 15 Ų | 15 | 85.4 Ų | 85.4 | 9% | 0.092 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.2 | 174.5 | -64.1 | 0 | 0 | 0 | 0 | 109.8 | Q47 L50 I59 V79 | Q47-T62 HydrophobicContact CG-CG2 3.76Å; Q47-T62 PolarHBondContact NE2-O 3.1Å; L50-T62 HydrophobicContact CB-CG2 4.32Å; L50-T62 HydrophobicContact CD1-CG2 3.6Å; I59-T62 WeakPolarHBondContact CG2-OG1 3.5Å; T62-V79 HydrophobicContact CG2-CG2 4.25Å |
| 63 | R | 87.9 | Confident | 83.8 | Confident | 127 Ų | 127 | 77.6 Ų | 77.6 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 110.5 | -178.2 | 179.7 | -168.3 | -178.4 | 128 | 13.4 | 110.9 | A77 Y78 R112 | R63-A77 CarbonylContact O-C 3.48Å; R63-A77 WeakPolarHBondContact O-CA 3.46Å; R63-Y78 PolarHBondContact N-O 3.5Å; R63-Y78 PolarHBondContact O-N 2.82Å; R63-R112 VanDerWaalsContact CZ-NH2 3.29Å; R63-R112 VanDerWaalsContact NH2-NH2 3.13Å |
| 64 | L | 88.6 | Confident | 84 | Confident | 29 Ų | 29 | 82.1 Ų | 82.1 | 15% | 0.152 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 142.8 | 172.2 | -66.7 | 149.8 | 0 | 0 | 0 | 109.8 | Q47 L50 Y66 F73 A77 | Q47-L64 HydrophobicContact CB-CD1 3.94Å; L50-L64 HydrophobicContact CD1-CD2 3.97Å; L64-Y66 HydrophobicContact CB-CD2 4.36Å; L64-Y66 HydrophobicContact CB-CE2 3.47Å; L64-Y66 VanDerWaalsContact CB-CE2 3.47Å; L64-Y66 WeakPolarHBondContact CD1-OH 3.41Å; L64-F73 HydrophobicContact CB-CD2 4.3Å; L64-F73 HydrophobicContact CB-CE2 3.81Å; L64-F73 HydrophobicContact CD2-CD2 4.23Å; L64-F73 HydrophobicContact CD2-CE2 3.37Å; L64-F73 HydrophobicContact CD2-CZ 3.55Å; L64-F73 HydrophobicContact CG-CE2 4.21Å; L64-A77 HydrophobicContact CD2-CB 3.94Å |
| 65 | V | 88.6 | Confident | 84.1 | Confident | 30 Ų | 30 | 82.8 Ų | 82.8 | 18% | 0.182 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 119.7 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | F73 K74 F76 Y78 | V65-F73 VanDerWaalsContact O-CD2 3.3Å; V65-F73 WeakPolarHBondContact O-CD2 3.49Å; V65-K74 HydrophobicContact CG1-CB 4.32Å; V65-K74 HydrophobicContact CG1-CD 4.16Å; V65-K74 WeakPolarHBondContact O-CB 3.32Å; V65-K74 PolarHBondContact O-N 3.22Å; V65-F76 HydrophobicContact CB-CD2 3.9Å; V65-F76 HydrophobicContact CB-CE2 3.49Å; V65-F76 VanDerWaalsContact CB-CE2 3.49Å; V65-F76 HydrophobicContact CB-CZ 3.86Å; V65-F76 HydrophobicContact CG1-CE1 4.41Å; V65-F76 HydrophobicContact CG1-CE2 3.71Å; V65-F76 HydrophobicContact CG1-CZ 3.61Å; V65-F76 HydrophobicContact CG2-CD2 3.85Å; V65-F76 HydrophobicContact CG2-CE2 3.42Å; V65-F76 VanDerWaalsContact CG2-CE2 3.42Å; V65-F76 HydrophobicContact CG2-CZ 4.23Å; V65-F76 PolarHBondContact N-O 3.27Å; V65-Y78 HydrophobicContact CG2-CD2 3.97Å; V65-Y78 HydrophobicContact CG2-CE2 3.79Å |
| 66 | Y | 87.1 | Confident | 84.5 | Confident | 105 Ų | 105 | 76.6 Ų | 76.6 | 41% | 0.412 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 149.5 | 176.4 | -58.3 | -90.8 | 0 | 0 | 0 | 110.2 | L64 E72 F73 | L64-Y66 HydrophobicContact CB-CD2 4.36Å; L64-Y66 HydrophobicContact CB-CE2 3.47Å; L64-Y66 VanDerWaalsContact CB-CE2 3.47Å; L64-Y66 WeakPolarHBondContact CD1-OH 3.41Å; Y66-E72 CarbonylContact C-O 3.48Å; Y66-E72 WeakPolarHBondContact CA-O 3.27Å; Y66-F73 HydrophobicContact CD1-CB 3.93Å; Y66-F73 HydrophobicContact CD1-CD2 4.11Å; Y66-F73 HydrophobicContact CE1-CB 3.82Å; Y66-F73 AromaticContact CE1-CD2 3.84Å; Y66-F73 HydrophobicContact CE1-CD2 3.84Å; Y66-F73 HydrophobicContact CE1-CG 4.25Å |
| 67 | D | 85.5 | Confident | 85.1 | Confident | 60 Ų | 60 | 73.2 Ų | 73.2 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | trans | -71 | 136.1 | 170.1 | -162.7 | -81.9 | 0 | 0 | 0 | 109.8 | N69 D71 E72 | D67-N69 PolarHBondContact O-N 3.26Å; D67-N69 WeakPolarHBondContact OD1-CB 3.38Å; D67-N69 PolarHBondContact OD1-N 3.25Å; D67-D71 WeakPolarHBondContact O-CA 3.49Å; D67-D71 PolarHBondContact O-N 3.35Å; D67-D71 VanDerWaalsContact O-N 3.12Å; D67-E72 PolarHBondContact N-O 3.36Å | ||
| 68 | R | 81.1 | Confident | 85.3 | Confident | 239 Ų | 239 | 76.3 Ų | 76.3 | 90% | 0.902 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -18.1 | -174.3 | -68.7 | -174.5 | -119.5 | -178.6 | 1 | 113.2 | ||
| 69 | N | 78.7 | Confident | 85.5 | Confident | 151 Ų | 151 | 72.2 Ų | 72.2 | 81% | 0.807 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -37.3 | -172.2 | -61.7 | -5.9 | 0 | 0 | 0 | 111.5 | D67 | D67-N69 PolarHBondContact O-N 3.26Å; D67-N69 WeakPolarHBondContact OD1-CB 3.38Å; D67-N69 PolarHBondContact OD1-N 3.25Å |
| 70 | T | 80.1 | Confident | 85.6 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -7.2 | -176.7 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | E72 | T70-E72 PolarHBondContact O-N 3.4Å; T70-E72 VanDerWaalsContact OG1-CB 3.29Å; T70-E72 WeakPolarHBondContact OG1-CB 3.45Å; T70-E72 PolarHBondContact OG1-N 3.44Å |
| 71 | D | 79.4 | Confident | 85.6 | Confident | 105 Ų | 105 | 69.6 Ų | 69.6 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | trans | 54.7 | 14.4 | -167.7 | -148.1 | -121.1 | 0 | 0 | 0 | 113.2 | D67 | D67-D71 WeakPolarHBondContact O-CA 3.49Å; D67-D71 PolarHBondContact O-N 3.35Å; D67-D71 VanDerWaalsContact O-N 3.12Å | ||
| 72 | E | 79.1 | Confident | 85.6 | Confident | 129 Ų | 129 | 76.5 Ų | 76.5 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | trans | -80.3 | 139.9 | -178.3 | -168.5 | 173.7 | 85 | 0 | 0 | 109.9 | Y66 D67 T70 K74 | Y66-E72 CarbonylContact C-O 3.48Å; Y66-E72 WeakPolarHBondContact CA-O 3.27Å; D67-E72 PolarHBondContact N-O 3.36Å; T70-E72 PolarHBondContact O-N 3.4Å; T70-E72 VanDerWaalsContact OG1-CB 3.29Å; T70-E72 WeakPolarHBondContact OG1-CB 3.45Å; T70-E72 PolarHBondContact OG1-N 3.44Å; E72-K74 PolarHBondContact O-N 2.96Å | ||
| 73 | F | 83.8 | Confident | 85.5 | Confident | 14 Ų | 14 | 78.8 Ų | 78.8 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 124 | 176.3 | -179.5 | -120.8 | 0 | 0 | 0 | 110.6 | L41 P42 L64 V65 Y66 G75 F76 | L41-F73 HydrophobicContact CB-CE1 3.59Å; L41-F73 HydrophobicContact CB-CZ 4.1Å; L41-F73 HydrophobicContact CD1-CE1 4.27Å; L41-F73 HydrophobicContact CD1-CZ 3.91Å; P42-F73 WeakPolarHBondContact O-CD1 3.48Å; L64-F73 HydrophobicContact CB-CD2 4.3Å; L64-F73 HydrophobicContact CB-CE2 3.81Å; L64-F73 HydrophobicContact CD2-CD2 4.23Å; L64-F73 HydrophobicContact CD2-CE2 3.37Å; L64-F73 HydrophobicContact CD2-CZ 3.55Å; L64-F73 HydrophobicContact CG-CE2 4.21Å; V65-F73 VanDerWaalsContact O-CD2 3.3Å; V65-F73 WeakPolarHBondContact O-CD2 3.49Å; Y66-F73 HydrophobicContact CD1-CB 3.93Å; Y66-F73 HydrophobicContact CD1-CD2 4.11Å; Y66-F73 HydrophobicContact CE1-CB 3.82Å; Y66-F73 AromaticContact CE1-CD2 3.84Å; Y66-F73 HydrophobicContact CE1-CD2 3.84Å; Y66-F73 HydrophobicContact CE1-CG 4.25Å; F73-G75 VanDerWaalsContact CE1-CA 3.45Å; F73-G75 PolarHBondContact O-N 3.49Å; F73-F76 VanDerWaalsContact CE2-O 3.24Å; F73-F76 WeakPolarHBondContact CE2-O 3.46Å; F73-F76 WeakPolarHBondContact CZ-O 3.25Å |
| 74 | K | 84.2 | Confident | 85.3 | Confident | 123 Ų | 123 | 75.9 Ų | 75.9 | 54% | 0.535 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | -2.7 | -174.4 | -158.6 | 170.8 | 168.9 | -170.9 | 0 | 113.5 | V65 E72 F76 | V65-K74 HydrophobicContact CG1-CB 4.32Å; V65-K74 HydrophobicContact CG1-CD 4.16Å; V65-K74 WeakPolarHBondContact O-CB 3.32Å; V65-K74 PolarHBondContact O-N 3.22Å; E72-K74 PolarHBondContact O-N 2.96Å; K74-F76 HydrophobicContact CB-CD1 4.05Å; K74-F76 HydrophobicContact CB-CE1 3.79Å; K74-F76 HydrophobicContact CB-CZ 4.47Å; K74-F76 HydrophobicContact CD-CD1 4.3Å; K74-F76 HydrophobicContact CD-CE1 3.27Å; K74-F76 HydrophobicContact CD-CZ 3.65Å; K74-F76 HydrophobicContact CG-CD1 3.99Å; K74-F76 HydrophobicContact CG-CE1 3.41Å; K74-F76 VanDerWaalsContact CG-CE1 3.41Å; K74-F76 HydrophobicContact CG-CZ 4.23Å |
| 75 | G | 85.1 | Confident | 85.1 | Confident | 15 Ų | 15 | 79.3 Ų | 79.3 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.4 | 18.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N40 L41 F73 | N40-G75 PolarHBondContact N-O 3.17Å; L41-G75 PolarHBondContact N-O 3.01Å; L41-G75 WeakPolarHBondContact O-CA 3.33Å; F73-G75 VanDerWaalsContact CE1-CA 3.45Å; F73-G75 PolarHBondContact O-N 3.49Å |
| 76 | F | 89.2 | Confident | 85 | Confident | 29 Ų | 29 | 78.1 Ų | 78.1 | 13% | 0.127 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 152.9 | 172.9 | 65.6 | -93.9 | 0 | 0 | 0 | 113.9 | Y37 V38 V65 F73 K74 Y78 | Y37-F76 HydrophobicContact CD2-CD2 4.49Å; Y37-F76 HydrophobicContact CE2-CB 3.72Å; Y37-F76 AromaticContact CE2-CD2 3.7Å; Y37-F76 HydrophobicContact CE2-CD2 3.7Å; Y37-F76 HydrophobicContact CE2-CE2 4.47Å; Y37-F76 AromaticContact CE2-CG 3.85Å; Y37-F76 HydrophobicContact CE2-CG 3.85Å; Y37-F76 WeakPolarHBondContact OH-CB 3.41Å; V38-F76 CarbonylContact O-C 3.56Å; V38-F76 WeakPolarHBondContact O-CA 3.47Å; V38-F76 WeakPolarHBondContact O-CB 3.29Å; V65-F76 HydrophobicContact CB-CD2 3.9Å; V65-F76 HydrophobicContact CB-CE2 3.49Å; V65-F76 VanDerWaalsContact CB-CE2 3.49Å; V65-F76 HydrophobicContact CB-CZ 3.86Å; V65-F76 HydrophobicContact CG1-CE1 4.41Å; V65-F76 HydrophobicContact CG1-CE2 3.71Å; V65-F76 HydrophobicContact CG1-CZ 3.61Å; V65-F76 HydrophobicContact CG2-CD2 3.85Å; V65-F76 HydrophobicContact CG2-CE2 3.42Å; V65-F76 VanDerWaalsContact CG2-CE2 3.42Å; V65-F76 HydrophobicContact CG2-CZ 4.23Å; V65-F76 PolarHBondContact N-O 3.27Å; F73-F76 VanDerWaalsContact CE2-O 3.24Å; F73-F76 WeakPolarHBondContact CE2-O 3.46Å; F73-F76 WeakPolarHBondContact CZ-O 3.25Å; K74-F76 HydrophobicContact CB-CD1 4.05Å; K74-F76 HydrophobicContact CB-CE1 3.79Å; K74-F76 HydrophobicContact CB-CZ 4.47Å; K74-F76 HydrophobicContact CD-CD1 4.3Å; K74-F76 HydrophobicContact CD-CE1 3.27Å; K74-F76 HydrophobicContact CD-CZ 3.65Å; K74-F76 HydrophobicContact CG-CD1 3.99Å; K74-F76 HydrophobicContact CG-CE1 3.41Å; K74-F76 VanDerWaalsContact CG-CE1 3.41Å; K74-F76 HydrophobicContact CG-CZ 4.23Å; F76-Y78 HydrophobicContact CD2-CE2 4.04Å; F76-Y78 AromaticContact CE2-CE2 3.84Å; F76-Y78 HydrophobicContact CE2-CE2 3.84Å |
| 77 | A | 89.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 157.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111 | V38 L41 L50 R63 L64 | V38-A77 PolarHBondContact N-O 2.77Å; V38-A77 PolarHBondContact O-N 3.18Å; L41-A77 HydrophobicContact CD1-CB 3.7Å; L50-A77 HydrophobicContact CD1-CB 3.46Å; L50-A77 VanDerWaalsContact CD1-CB 3.46Å; R63-A77 CarbonylContact O-C 3.48Å; R63-A77 WeakPolarHBondContact O-CA 3.46Å; L64-A77 HydrophobicContact CD2-CB 3.94Å |
| 78 | Y | 90.3 | Very high | 84.8 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.8 | 168.3 | -63 | -84.7 | 0 | 0 | 0 | 108.5 | T35 A36 Y37 R63 V65 F76 A108 | T35-Y78 HydrophobicContact CG2-CD1 4.28Å; A36-Y78 CarbonylContact O-C 3.52Å; A36-Y78 WeakPolarHBondContact O-CA 3.49Å; Y37-Y78 HydrophobicContact CD2-CD1 4.33Å; Y37-Y78 AromaticContact CD2-CE1 3.76Å; Y37-Y78 HydrophobicContact CD2-CE1 3.76Å; R63-Y78 PolarHBondContact N-O 3.5Å; R63-Y78 PolarHBondContact O-N 2.82Å; V65-Y78 HydrophobicContact CG2-CD2 3.97Å; V65-Y78 HydrophobicContact CG2-CE2 3.79Å; F76-Y78 HydrophobicContact CD2-CE2 4.04Å; F76-Y78 AromaticContact CE2-CE2 3.84Å; F76-Y78 HydrophobicContact CE2-CE2 3.84Å; Y78-A108 HydrophobicContact CD1-CB 3.8Å; Y78-A108 HydrophobicContact CE1-CB 4.05Å |
| 79 | V | 89.3 | Confident | 85 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.7 | 177.9 | -175.4 | 0 | 0 | 0 | 0 | 107.5 | T35 A36 V38 L50 F54 I59 T62 F81 | T35-V79 CarbonylContact C-O 3.6Å; T35-V79 WeakPolarHBondContact CA-O 3.14Å; A36-V79 PolarHBondContact N-O 2.84Å; A36-V79 PolarHBondContact O-N 2.82Å; V38-V79 HydrophobicContact CG2-CG2 4Å; L50-V79 HydrophobicContact CD1-CG2 4.45Å; F54-V79 HydrophobicContact CD2-CG2 4.37Å; F54-V79 HydrophobicContact CE2-CG2 3.99Å; I59-V79 HydrophobicContact CB-CG1 4.47Å; I59-V79 HydrophobicContact CD1-CG1 4.14Å; I59-V79 HydrophobicContact CG1-CG1 3.85Å; I59-V79 HydrophobicContact CG2-CG1 3.85Å; T62-V79 HydrophobicContact CG2-CG2 4.25Å; V79-F81 HydrophobicContact CB-CE2 4.14Å; V79-F81 HydrophobicContact CB-CZ 4.09Å; V79-F81 HydrophobicContact CG1-CD1 4.42Å; V79-F81 HydrophobicContact CG1-CE1 3.78Å; V79-F81 HydrophobicContact CG1-CE2 3.92Å; V79-F81 HydrophobicContact CG1-CZ 3.5Å; V79-F81 VanDerWaalsContact CG1-CZ 3.5Å |
| 80 | E | 88.4 | Confident | 85.3 | Confident | 67 Ų | 67 | 59.1 Ų | 59.1 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126.8 | 176.4 | -175.1 | 177.6 | 172.8 | 0 | 0 | 109.1 | P33 I59 T60 A61 | P33-E80 HydrophobicContact CB-CG 4.02Å; P33-E80 WeakPolarHBondContact CB-OE1 3.46Å; I59-E80 CarbonylContact C-O 3.59Å; T60-E80 PolarHBondContact N-O 2.79Å; A61-E80 HydrophobicContact CB-CB 4.26Å; A61-E80 PolarHBondContact N-O 3.41Å; A61-E80 WeakPolarHBondContact O-CB 3.44Å; A61-E80 PolarHBondContact O-N 3.27Å |
| 81 | F | 88 | Confident | 85.4 | Confident | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 150 | 177.3 | -61 | -77.3 | 0 | 0 | 0 | 111.1 | F34 A36 F54 L57 N58 I59 V79 L87 A90 | F34-F81 HydrophobicContact CB-CB 4.25Å; F34-F81 PolarHBondContact O-N 3.41Å; A36-F81 HydrophobicContact CB-CD2 4.39Å; A36-F81 HydrophobicContact CB-CE2 3.63Å; F54-F81 HydrophobicContact CD1-CZ 4.42Å; F54-F81 HydrophobicContact CG-CZ 4.44Å; L57-F81 HydrophobicContact CB-CD1 4.08Å; L57-F81 HydrophobicContact CB-CE1 3.71Å; L57-F81 HydrophobicContact CD1-CE1 3.7Å; L57-F81 HydrophobicContact CD1-CZ 3.98Å; L57-F81 HydrophobicContact CG-CE1 4.37Å; N58-F81 CarbonylContact O-C 3.37Å; N58-F81 WeakPolarHBondContact O-CA 3.34Å; I59-F81 HydrophobicContact CG1-CD1 3.95Å; I59-F81 HydrophobicContact CG1-CE1 3.63Å; V79-F81 HydrophobicContact CB-CE2 4.14Å; V79-F81 HydrophobicContact CB-CZ 4.09Å; V79-F81 HydrophobicContact CG1-CD1 4.42Å; V79-F81 HydrophobicContact CG1-CE1 3.78Å; V79-F81 HydrophobicContact CG1-CE2 3.92Å; V79-F81 HydrophobicContact CG1-CZ 3.5Å; V79-F81 VanDerWaalsContact CG1-CZ 3.5Å; F81-L87 HydrophobicContact CD2-CB 4.3Å; F81-L87 HydrophobicContact CD2-CD1 4.16Å; F81-L87 HydrophobicContact CE2-CD1 4.4Å; F81-A90 HydrophobicContact CE2-CB 3.74Å; F81-A90 HydrophobicContact CZ-CB 3.66Å |
| 82 | R | 85.4 | Confident | 85.6 | Confident | 188 Ų | 188 | 57.3 Ų | 57.3 | 71% | 0.709 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -74.5 | -34.4 | 174 | -174.7 | 176.3 | -179.6 | 170 | -0 | 112.2 | F34 N58 T60 | F34-R82 WeakPolarHBondContact CD2-O 3.46Å; F34-R82 WeakPolarHBondContact CE2-O 3.4Å; N58-R82 HydrophobicContact CB-CB 4.02Å; N58-R82 PolarHBondContact O-N 2.82Å; T60-R82 PolarHBondContact OG1-N 3.41Å |
| 83 | D | 85 | Confident | 85.6 | Confident | 63 Ų | 63 | 55 Ų | 55 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -118.3 | 144.9 | -170.6 | -66.2 | -81.4 | 0 | 0 | 0 | 111.8 | N58 D85 S86 L87 | N58-D83 PolarHBondContact ND2-OD2 2.89Å; D83-D85 VanDerWaalsContact C-N 3.3Å; D83-D85 PolarHBondContact O-N 2.8Å; D83-S86 WeakPolarHBondContact O-CB 3.34Å; D83-S86 PolarHBondContact O-N 3.12Å; D83-L87 PolarHBondContact O-N 3.11Å |
| 84 | L | 83.7 | Confident | 85.4 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 172.6 | -176.8 | 160.2 | 0 | 0 | 0 | 111.4 | L28 F34 S86 L87 A88 | L28-L84 HydrophobicContact CB-CD1 4.22Å; L28-L84 HydrophobicContact CB-CG 4.37Å; L28-L84 HydrophobicContact CD1-CD2 3.81Å; L28-L84 HydrophobicContact CD1-CG 4.48Å; F34-L84 HydrophobicContact CD1-CB 4.05Å; F34-L84 HydrophobicContact CD1-CG 4.46Å; F34-L84 HydrophobicContact CE1-CB 3.67Å; F34-L84 HydrophobicContact CE1-CD1 4.08Å; F34-L84 HydrophobicContact CE1-CG 4.15Å; F34-L84 HydrophobicContact CE2-CB 4.42Å; F34-L84 HydrophobicContact CZ-CB 3.88Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 2.96Å; L84-L87 WeakPolarHBondContact O-CB 3.45Å; L84-L87 PolarHBondContact O-N 3.38Å; L84-L87 VanDerWaalsContact O-N 3.13Å; L84-A88 PolarHBondContact O-N 3.39Å |
| 85 | D | 85 | Confident | 85 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 54% | 0.535 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59 | -41.1 | 175.4 | -170.3 | -98.3 | 0 | 0 | 0 | 111.1 | D83 L87 A88 R89 | D83-D85 VanDerWaalsContact C-N 3.3Å; D83-D85 PolarHBondContact O-N 2.8Å; D85-L87 VanDerWaalsContact C-N 3.33Å; D85-L87 PolarHBondContact O-N 2.99Å; D85-A88 PolarHBondContact O-N 3.47Å; D85-R89 WeakPolarHBondContact O-CG 3.43Å; D85-R89 PolarHBondContact O-N 2.56Å; D85-R89 WeakPolarHBondContact OD1-CD 3.39Å |
| 86 | S | 85.9 | Confident | 84.6 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.1 | -68.8 | 0 | 0 | 0 | 0 | 112 | N58 D83 L84 R89 A90 | N58-S86 PolarHBondContact N-OG 3.37Å; D83-S86 WeakPolarHBondContact O-CB 3.34Å; D83-S86 PolarHBondContact O-N 3.12Å; L84-S86 VanDerWaalsContact C-N 3.27Å; L84-S86 PolarHBondContact O-N 2.96Å; S86-R89 PolarHBondContact O-N 2.87Å; S86-A90 WeakPolarHBondContact O-CB 3.27Å; S86-A90 PolarHBondContact O-N 3.21Å |
| 87 | L | 84.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 174.6 | 178.9 | 66.7 | 0 | 0 | 0 | 112.1 | L28 P29 F34 A36 F81 D83 L84 D85 A90 L91 V107 | L28-L87 HydrophobicContact CD2-CD2 3.97Å; L28-L87 HydrophobicContact CD2-CG 4.19Å; P29-L87 HydrophobicContact CG-CD2 3.98Å; F34-L87 HydrophobicContact CB-CB 4.2Å; F34-L87 HydrophobicContact CB-CD2 4.12Å; F34-L87 HydrophobicContact CD1-CD2 4.39Å; A36-L87 HydrophobicContact CB-CD1 3.8Å; F81-L87 HydrophobicContact CD2-CB 4.3Å; F81-L87 HydrophobicContact CD2-CD1 4.16Å; F81-L87 HydrophobicContact CE2-CD1 4.4Å; D83-L87 PolarHBondContact O-N 3.11Å; L84-L87 WeakPolarHBondContact O-CB 3.45Å; L84-L87 PolarHBondContact O-N 3.38Å; L84-L87 VanDerWaalsContact O-N 3.13Å; D85-L87 VanDerWaalsContact C-N 3.33Å; D85-L87 PolarHBondContact O-N 2.99Å; L87-A90 WeakPolarHBondContact O-CB 3.46Å; L87-A90 PolarHBondContact O-N 3.19Å; L87-L91 WeakPolarHBondContact O-CG 3.27Å; L87-L91 PolarHBondContact O-N 2.95Å; L87-L91 VanDerWaalsContact O-N 3.15Å; L87-V107 HydrophobicContact CD2-CG1 4.29Å |
| 88 | A | 84.1 | Confident | 82.9 | Confident | 30 Ų | 30 | 61 Ų | 61 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L28 L84 D85 A90 L91 E92 | L28-A88 HydrophobicContact CD2-CB 4.45Å; L84-A88 PolarHBondContact O-N 3.39Å; D85-A88 PolarHBondContact O-N 3.47Å; A88-A90 VanDerWaalsContact C-N 3.35Å; A88-A90 PolarHBondContact O-N 3.22Å; A88-L91 WeakPolarHBondContact O-CB 3.36Å; A88-L91 PolarHBondContact O-N 2.88Å; A88-E92 PolarHBondContact O-N 3.45Å |
| 89 | R | 85.1 | Confident | 82 | Confident | 126 Ų | 126 | 63 Ų | 63 | 48% | 0.475 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 175.4 | -65.7 | -177.5 | 86.8 | 150.2 | 4.7 | 111.7 | L57 D85 S86 L91 E92 Y93 | L57-R89 HydrophobicContact CD2-CB 3.61Å; L57-R89 HydrophobicContact CD2-CG 4.43Å; D85-R89 WeakPolarHBondContact O-CG 3.43Å; D85-R89 PolarHBondContact O-N 2.56Å; D85-R89 WeakPolarHBondContact OD1-CD 3.39Å; S86-R89 PolarHBondContact O-N 2.87Å; R89-L91 PolarHBondContact O-N 3.46Å; R89-E92 WeakPolarHBondContact O-CB 3.16Å; R89-E92 PolarHBondContact O-N 3.34Å; R89-Y93 WeakPolarHBondContact O-CD2 2.75Å |
| 90 | A | 85.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.1 | -35.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F54 L57 F81 S86 L87 A88 E92 Y93 V105 | F54-A90 HydrophobicContact CD1-CB 4.31Å; F54-A90 HydrophobicContact CE1-CB 3.93Å; L57-A90 HydrophobicContact CD1-CB 3.87Å; F81-A90 HydrophobicContact CE2-CB 3.74Å; F81-A90 HydrophobicContact CZ-CB 3.66Å; S86-A90 WeakPolarHBondContact O-CB 3.27Å; S86-A90 PolarHBondContact O-N 3.21Å; L87-A90 WeakPolarHBondContact O-CB 3.46Å; L87-A90 PolarHBondContact O-N 3.19Å; A88-A90 VanDerWaalsContact C-N 3.35Å; A88-A90 PolarHBondContact O-N 3.22Å; A90-E92 VanDerWaalsContact C-N 3.27Å; A90-E92 PolarHBondContact O-N 3.18Å; A90-Y93 WeakPolarHBondContact O-CB 3.36Å; A90-Y93 PolarHBondContact O-N 3.1Å; A90-V105 HydrophobicContact CB-CG1 4.48Å; A90-V105 WeakPolarHBondContact O-CG1 3.29Å |
| 91 | L | 83.7 | Confident | 80.8 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 5% | 0.047 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.1 | -25.3 | 176.3 | -65.3 | 169.1 | 0 | 0 | 0 | 113.2 | L28 L87 A88 R89 Y93 N94 V107 | L28-L91 HydrophobicContact CD2-CD1 4.12Å; L87-L91 WeakPolarHBondContact O-CG 3.27Å; L87-L91 PolarHBondContact O-N 2.95Å; L87-L91 VanDerWaalsContact O-N 3.15Å; A88-L91 WeakPolarHBondContact O-CB 3.36Å; A88-L91 PolarHBondContact O-N 2.88Å; R89-L91 PolarHBondContact O-N 3.46Å; L91-Y93 VanDerWaalsContact C-N 3.26Å; L91-Y93 PolarHBondContact O-N 3.04Å; L91-N94 WeakPolarHBondContact O-CB 3.28Å; L91-N94 PolarHBondContact O-N 3.13Å; L91-V107 HydrophobicContact CD1-CG2 3.61Å; L91-V107 HydrophobicContact CD2-CG2 3.71Å; L91-V107 HydrophobicContact CG-CG2 4.16Å |
| 92 | E | 83.2 | Confident | 80.6 | Confident | 153 Ų | 153 | 80.6 Ų | 80.6 | 72% | 0.715 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -69.7 | -26 | 174.2 | -59.9 | -177 | 88.6 | 0 | 0 | 111.9 | A88 R89 A90 N94 | A88-E92 PolarHBondContact O-N 3.45Å; R89-E92 WeakPolarHBondContact O-CB 3.16Å; R89-E92 PolarHBondContact O-N 3.34Å; A90-E92 VanDerWaalsContact C-N 3.27Å; A90-E92 PolarHBondContact O-N 3.18Å; E92-N94 PolarHBondContact O-N 2.99Å |
| 93 | Y | 78.6 | Confident | 80.6 | Confident | 81 Ų | 81 | 71.8 Ų | 71.8 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 1.4 | 174.7 | -71.3 | -86 | 0 | 0 | 0 | 114 | F53 R89 A90 L91 G95 N96 | F53-Y93 HydrophobicContact CE1-CD1 4.06Å; F53-Y93 HydrophobicContact CE1-CG 4.08Å; F53-Y93 AromaticContact CZ-CD1 3.9Å; F53-Y93 HydrophobicContact CZ-CD1 3.9Å; F53-Y93 HydrophobicContact CZ-CG 4.27Å; R89-Y93 WeakPolarHBondContact O-CD2 2.75Å; A90-Y93 WeakPolarHBondContact O-CB 3.36Å; A90-Y93 PolarHBondContact O-N 3.1Å; L91-Y93 VanDerWaalsContact C-N 3.26Å; L91-Y93 PolarHBondContact O-N 3.04Å; Y93-G95 PolarHBondContact O-N 3.39Å; Y93-N96 WeakPolarHBondContact O-CB 3.26Å; Y93-N96 PolarHBondContact O-N 3.28Å |
| 94 | N | 80.4 | Confident | 80.7 | Confident | 53 Ų | 53 | 73.8 Ų | 73.8 | 28% | 0.283 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 120.8 | 177.3 | -177.6 | 28.7 | 0 | 0 | 0 | 111.3 | Q23 L91 E92 R104 V105 | Q23-N94 PolarHBondContact OE1-ND2 3.4Å; L91-N94 WeakPolarHBondContact O-CB 3.28Å; L91-N94 PolarHBondContact O-N 3.13Å; E92-N94 PolarHBondContact O-N 2.99Å; N94-R104 WeakPolarHBondContact OD1-CA 3.12Å; N94-V105 HydrophobicContact CB-CB 4.05Å; N94-V105 VanDerWaalsContact CG-O 3.3Å; N94-V105 PolarHBondContact OD1-N 3.25Å; N94-V105 PolarHBondContact OD1-O 2.89Å |
| 95 | G | 75.4 | Confident | 80.9 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 38% | 0.381 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | 0.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y93 L103 | Y93-G95 PolarHBondContact O-N 3.39Å; G95-L103 VanDerWaalsContact CA-O 3.29Å; G95-L103 WeakPolarHBondContact CA-O 3.33Å; G95-L103 PolarHBondContact N-O 3.5Å |
| 96 | N | 77.3 | Confident | 80.9 | Confident | 78 Ų | 78 | 66.9 Ų | 66.9 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | trans | -67.7 | 156.7 | 174.3 | -154.4 | 1.1 | 0 | 0 | 0 | 111.6 | F53 Y93 R102 L103 | F53-N96 HydrophobicContact CE2-CB 3.91Å; F53-N96 VanDerWaalsContact CE2-ND2 3.31Å; F53-N96 WeakPolarHBondContact CE2-ND2 3.32Å; F53-N96 HydrophobicContact CZ-CB 3.63Å; Y93-N96 WeakPolarHBondContact O-CB 3.26Å; Y93-N96 PolarHBondContact O-N 3.28Å; N96-R102 CarbonylContact O-C 3.58Å; N96-R102 WeakPolarHBondContact O-CA 3.01Å; N96-L103 PolarHBondContact O-N 3.46Å | ||
| 97 | E | 73.7 | Confident | 80.8 | Confident | 111 Ų | 111 | 66.8 Ų | 66.8 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 120.8 | -175.1 | -69.6 | 174.6 | 136 | 0 | 0 | 110.8 | R101 R102 | E97-R101 WeakPolarHBondContact CA-O 3.01Å; E97-R102 HydrophobicContact CG-CG 3.92Å; E97-R102 IonicContact OE1-NE 2.87Å; E97-R102 IonicContact OE1-NH2 3.8Å |
| 98 | L | 69.3 | Low | 80.7 | Confident | 27 Ų | 27 | 67.3 Ų | 67.3 | 14% | 0.141 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 116.5 | 173.4 | -163.3 | 84.9 | 0 | 0 | 0 | 107.8 | L41 F53 D100 R101 L103 | L41-L98 HydrophobicContact CD2-CD2 4.25Å; F53-L98 HydrophobicContact CD2-CD1 3.85Å; F53-L98 HydrophobicContact CE2-CD1 4.5Å; L98-D100 PolarHBondContact O-N 3.1Å; L98-R101 PolarHBondContact N-O 3.15Å; L98-R101 PolarHBondContact O-N 2.77Å; L98-R101 VanDerWaalsContact O-N 3.17Å; L98-L103 HydrophobicContact CB-CD1 3.76Å; L98-L103 HydrophobicContact CB-CD2 3.88Å; L98-L103 HydrophobicContact CB-CG 3.83Å; L98-L103 HydrophobicContact CD2-CD1 4.3Å; L98-L103 HydrophobicContact CD2-CD2 4.48Å; L98-L103 HydrophobicContact CG-CD1 4.49Å |
| 99 | F | 71 | Confident | 80 | Confident | 125 Ų | 125 | 72.4 Ų | 72.4 | 55% | 0.548 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 49.2 | -175 | -52.9 | -85.2 | 0 | 0 | 0 | 113.5 | P42 R101 | P42-F99 HydrophobicContact CG-CB 4.09Å; P42-F99 HydrophobicContact CG-CD2 3.51Å; P42-F99 HydrophobicContact CG-CE2 4.32Å; P42-F99 HydrophobicContact CG-CG 4.13Å; F99-R101 PolarHBondContact O-N 2.82Å |
| 100 | D | 76 | Confident | 79 | Confident | 157 Ų | 157 | 69.8 Ų | 69.8 | 84% | 0.84 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 13.6 | 179.5 | -149.5 | -113.5 | 0 | 0 | 0 | 114.4 | L98 | L98-D100 PolarHBondContact O-N 3.1Š|
| 101 | R | 77.1 | Confident | 77.8 | Confident | 115 Ų | 115 | 79.2 Ų | 79.2 | 43% | 0.434 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.1 | 177.2 | -63.2 | -176.3 | 179.8 | -167.3 | -0 | 110.9 | E97 L98 F99 L103 | E97-R101 WeakPolarHBondContact CA-O 3.01Å; L98-R101 PolarHBondContact N-O 3.15Å; L98-R101 PolarHBondContact O-N 2.77Å; L98-R101 VanDerWaalsContact O-N 3.17Å; F99-R101 PolarHBondContact O-N 2.82Å; R101-L103 PolarHBondContact O-N 3.02Å |
| 102 | R | 83.7 | Confident | 76.5 | Confident | 167 Ų | 167 | 86.3 Ų | 86.3 | 63% | 0.63 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 114.7 | 177.4 | -67.5 | -178.2 | 177.3 | -138.1 | -3.6 | 111.1 | N40 N96 E97 | N40-R102 WeakPolarHBondContact CB-O 3.24Å; N40-R102 PolarHBondContact ND2-O 3.26Å; N96-R102 CarbonylContact O-C 3.58Å; N96-R102 WeakPolarHBondContact O-CA 3.01Å; E97-R102 HydrophobicContact CG-CG 3.92Å; E97-R102 IonicContact OE1-NE 2.87Å; E97-R102 IonicContact OE1-NH2 3.8Å |
| 103 | L | 85.4 | Confident | 75 | Confident | 3 Ų | 3 | 87.9 Ų | 87.9 | 2% | 0.016 | 39% | 0.391 | C | S | . | . | trans | -70.3 | 143.4 | 176 | -59.7 | -171.1 | 0 | 0 | 0 | 111 | L41 F53 G95 N96 L98 R101 | L41-L103 HydrophobicContact CD2-CD1 4.19Å; L41-L103 HydrophobicContact CD2-CD2 3.42Å; L41-L103 VanDerWaalsContact CD2-CD2 3.42Å; L41-L103 HydrophobicContact CD2-CG 4.43Å; L41-L103 HydrophobicContact CG-CD2 4.21Å; F53-L103 HydrophobicContact CD1-CD1 4.3Å; F53-L103 HydrophobicContact CD2-CD1 4.21Å; F53-L103 HydrophobicContact CE1-CD1 3.93Å; F53-L103 HydrophobicContact CE2-CD1 3.82Å; F53-L103 HydrophobicContact CG-CD1 4.43Å; F53-L103 HydrophobicContact CZ-CD1 3.68Å; G95-L103 VanDerWaalsContact CA-O 3.29Å; G95-L103 WeakPolarHBondContact CA-O 3.33Å; G95-L103 PolarHBondContact N-O 3.5Å; N96-L103 PolarHBondContact O-N 3.46Å; L98-L103 HydrophobicContact CB-CD1 3.76Å; L98-L103 HydrophobicContact CB-CD2 3.88Å; L98-L103 HydrophobicContact CB-CG 3.83Å; L98-L103 HydrophobicContact CD2-CD1 4.3Å; L98-L103 HydrophobicContact CD2-CD2 4.48Å; L98-L103 HydrophobicContact CG-CD1 4.49Å; R101-L103 PolarHBondContact O-N 3.02Å | ||
| 104 | R | 85.8 | Confident | 73.7 | Confident | 105 Ų | 105 | 90.4 Ų | 90.4 | 40% | 0.396 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 112.2 | 172.6 | -177.7 | 177.8 | 174 | -135.7 | -13.2 | 109.4 | V38 G39 N94 D106 | V38-R104 CarbonylContact C-O 3.53Å; V38-R104 WeakPolarHBondContact CA-O 3.28Å; G39-R104 PolarHBondContact N-O 3.35Å; G39-R104 PolarHBondContact O-N 2.87Å; N94-R104 WeakPolarHBondContact OD1-CA 3.12Å; R104-D106 IonicContact CZ-OD2 3.56Å; R104-D106 IonicContact NH2-OD2 3.37Å; R104-D106 PolarHBondContact NH2-OD2 3.39Å |
| 105 | V | 87.8 | Confident | 72.4 | Confident | 2 Ų | 2 | 98.1 Ų | 98.1 | 1% | 0.012 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.4 | 175.8 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | A36 Y37 V38 F54 A90 N94 | A36-V105 HydrophobicContact CB-CG1 4.18Å; Y37-V105 CarbonylContact O-C 3.59Å; Y37-V105 VanDerWaalsContact O-CA 3.28Å; Y37-V105 WeakPolarHBondContact O-CA 3.28Å; V38-V105 HydrophobicContact CG1-CG2 4.4Å; V38-V105 HydrophobicContact CG2-CG1 4.47Å; V38-V105 HydrophobicContact CG2-CG2 4.48Å; F54-V105 HydrophobicContact CZ-CG2 4.44Å; A90-V105 HydrophobicContact CB-CG1 4.48Å; A90-V105 WeakPolarHBondContact O-CG1 3.29Å; N94-V105 HydrophobicContact CB-CB 4.05Å; N94-V105 VanDerWaalsContact CG-O 3.3Å; N94-V105 PolarHBondContact OD1-N 3.25Å; N94-V105 PolarHBondContact OD1-O 2.89Å |
| 106 | D | 86.1 | Confident | 71.3 | Confident | 19 Ų | 19 | 107.6 Ų | 107.6 | 10% | 0.102 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 160.3 | -178.4 | -149.6 | -73.1 | 0 | 0 | 0 | 109.1 | R26 A36 Y37 R104 A108 | R26-D106 IonicContact NE-OD1 3.66Å; R26-D106 PolarHBondContact NE-OD1 3.48Å; A36-D106 CarbonylContact C-O 3.43Å; A36-D106 WeakPolarHBondContact CA-O 3.41Å; Y37-D106 HydrophobicContact CD1-CB 4.17Å; Y37-D106 PolarHBondContact N-O 3.43Å; Y37-D106 PolarHBondContact O-N 3.34Å; R104-D106 IonicContact CZ-OD2 3.56Å; R104-D106 IonicContact NH2-OD2 3.37Å; R104-D106 PolarHBondContact NH2-OD2 3.39Å; D106-A108 PolarHBondContact O-N 3.31Å |
| 107 | V | 84.1 | Confident | 70 | Confident | 5 Ų | 5 | 111.3 Ų | 111.3 | 3% | 0.03 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 123.1 | 175.6 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | R26 P29 L87 L91 | R26-V107 HydrophobicContact CB-CB 4.15Å; R26-V107 HydrophobicContact CB-CG2 4.47Å; P29-V107 HydrophobicContact CG-CG1 4.17Å; L87-V107 HydrophobicContact CD2-CG1 4.29Å; L91-V107 HydrophobicContact CD1-CG2 3.61Å; L91-V107 HydrophobicContact CD2-CG2 3.71Å; L91-V107 HydrophobicContact CG-CG2 4.16Å |
| 108 | A | 81.6 | Confident | 68.8 | Low | 10 Ų | 10 | 108.3 Ų | 108.3 | 8% | 0.083 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T35 Y78 D106 | T35-A108 HydrophobicContact CG2-CB 3.78Å; T35-A108 WeakPolarHBondContact O-CA 3.47Å; T35-A108 WeakPolarHBondContact O-CB 3.43Å; T35-A108 PolarHBondContact O-N 3.19Å; T35-A108 VanDerWaalsContact O-O 3.09Å; Y78-A108 HydrophobicContact CD1-CB 3.8Å; Y78-A108 HydrophobicContact CE1-CB 4.05Å; D106-A108 PolarHBondContact O-N 3.31Å |
| 109 | E | 69.8 | Low | 68 | Low | 138 Ų | 138 | 116.4 Ų | 116.4 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -89 | 119.7 | 163.8 | -67.2 | 175.6 | 105.5 | 0 | 0 | 108.3 | R26 R111 | R26-E109 IonicContact NH1-OE2 3.99Å; E109-R111 PolarHBondContact O-N 2.99Å; E109-R111 VanDerWaalsContact O-N 3.15Å |
| 110 | D | 64.2 | Low | 66.9 | Low | 70 Ų | 70 | 117 Ų | 117 | 37% | 0.374 | 53% | 0.53 | S | S | . | . | trans | -73.1 | 107.2 | 174.4 | -174.6 | -94.8 | 0 | 0 | 0 | 109.7 | P33 R112 | P33-D110 HydrophobicContact CG-CB 4.16Å; D110-R112 PolarHBondContact O-N 3.31Å; D110-R112 VanDerWaalsContact O-N 3.07Å; D110-R112 WeakPolarHBondContact OD1-CA 3.43Å; D110-R112 WeakPolarHBondContact OD1-CB 3.14Å; D110-R112 VanDerWaalsContact OD1-CG 3.27Å; D110-R112 WeakPolarHBondContact OD1-CG 3.09Å; D110-R112 PolarHBondContact OD1-N 2.71Å; D110-R112 WeakPolarHBondContact OD2-CD 3.37Å; D110-R112 WeakPolarHBondContact OD2-CG 3.47Å; D110-R112 IonicContact OD2-NE 3.87Å | ||
| 111 | R | 59.8 | Low | 65.7 | Low | 198 Ų | 198 | 114.5 Ų | 114.5 | 75% | 0.747 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 16.6 | 177 | -63.6 | -172.8 | 179.9 | 171.3 | -1.3 | 113.5 | E109 | E109-R111 PolarHBondContact O-N 2.99Å; E109-R111 VanDerWaalsContact O-N 3.15Å |
| 112 | R | 56.5 | Low | 64 | Low | 159 Ų | 159 | 112.4 Ų | 112.4 | 60% | 0.6 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -5.7 | -174.3 | -53 | 178.1 | 169 | -101.3 | -13.1 | 114.3 | R63 D110 | R63-R112 VanDerWaalsContact CZ-NH2 3.29Å; R63-R112 VanDerWaalsContact NH2-NH2 3.13Å; D110-R112 PolarHBondContact O-N 3.31Å; D110-R112 VanDerWaalsContact O-N 3.07Å; D110-R112 WeakPolarHBondContact OD1-CA 3.43Å; D110-R112 WeakPolarHBondContact OD1-CB 3.14Å; D110-R112 VanDerWaalsContact OD1-CG 3.27Å; D110-R112 WeakPolarHBondContact OD1-CG 3.09Å; D110-R112 PolarHBondContact OD1-N 2.71Å; D110-R112 WeakPolarHBondContact OD2-CD 3.37Å; D110-R112 WeakPolarHBondContact OD2-CG 3.47Å; D110-R112 IonicContact OD2-NE 3.87Å |
| 113 | R | 51.5 | Low | 62.4 | Low | 185 Ų | 185 | 110.4 Ų | 110.4 | 70% | 0.698 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -84.1 | -14.7 | 169.7 | -70.4 | -163.6 | -171.6 | -171.4 | 7.8 | 114.9 | R115 | R113-R115 PolarHBondContact O-N 2.89Š|
| 114 | D | 51.6 | Low | 60.6 | Low | 134 Ų | 134 | 118.6 Ų | 118.6 | 72% | 0.717 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 10.1 | 179.9 | -66.6 | -75 | 0 | 0 | 0 | 115.8 | ||
| 115 | R | 53.1 | Low | 58.7 | Low | 215 Ų | 215 | 119.2 Ų | 119.2 | 81% | 0.811 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 4.7 | 179.9 | -68.5 | -166.4 | -157.3 | 150.9 | 6.8 | 115.6 | R113 | R113-R115 PolarHBondContact O-N 2.89Š|
| 116 | R | 51 | Low | 57 | Low | 236 Ų | 236 | 131.1 Ų | 131.1 | 89% | 0.891 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -115.5 | 0.4 | 176.2 | -118.4 | -178.5 | -167.9 | -173.8 | 2.9 | 115.6 | ||
| 117 | D | 51.3 | Low | 55.5 | Low | 156 Ų | 156 | 139.4 Ų | 139.4 | 83% | 0.834 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -125.2 | 92.5 | 164 | -92.5 | -85.9 | 0 | 0 | 0 | 107.7 | ||
| 118 | G | 47.8 | Very low | 53.6 | Low | 49 Ų | 49 | 149.5 Ų | 149.5 | 51% | 0.505 | 72% | 0.722 | S | S | . | * | trans | 174.2 | -11.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T120 | G118-T120 PolarHBondContact O-N 3.08Š| ||
| 119 | Q | 52.7 | Low | 51.7 | Low | 197 Ų | 197 | 151.7 Ų | 151.7 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -76.7 | 49.6 | 156.6 | -76.9 | 165.2 | 6.5 | 0 | 0 | 110.2 | ||
| 120 | T | 48.6 | Very low | 50.7 | Low | 136 Ų | 136 | 154 Ų | 154 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 178.1 | 66.7 | 167.6 | -84 | 0 | 0 | 0 | 0 | 107.8 | G118 | G118-T120 PolarHBondContact O-N 3.08Š|
| 121 | S | 50.1 | Low | 49.7 | Very low | 105 Ų | 105 | 159.6 Ų | 159.6 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -174.2 | 113.9 | 146.7 | 46 | 0 | 0 | 0 | 0 | 109.2 | ||
| 122 | G | 41.7 | Very low | 49 | Very low | 71 Ų | 71 | 156 Ų | 156 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | 100.6 | 12.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | M124 | G122-M124 PolarHBondContact O-N 3.44Š| ||
| 123 | S | 48.9 | Very low | 48.6 | Very low | 125 Ų | 125 | 160.2 Ų | 160.2 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -71.6 | 61.6 | 148.4 | -177.8 | 0 | 0 | 0 | 0 | 109 | ||
| 124 | M | 48 | Very low | 48.2 | Very low | 176 Ų | 176 | 160.4 Ų | 160.4 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -175.2 | 56.2 | 175 | -106.7 | 169.3 | -174.3 | 0 | 0 | 110.4 | G122 | G122-M124 PolarHBondContact O-N 3.44Š| ||
| 125 | N | 47.1 | Very low | 47.4 | Very low | 118 Ų | 118 | 157.9 Ų | 157.9 | 63% | 0.631 | 82% | 0.816 | S | S | * | * | trans | -147.8 | 32.8 | 155.3 | -136.3 | 41.3 | 0 | 0 | 0 | 114.2 | R128 | N125-R128 WeakPolarHBondContact OD1-CB 3.44Š| ||
| 126 | R | 52.3 | Low | 47.2 | Very low | 251 Ų | 251 | 151.2 Ų | 151.2 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -92.2 | 0.1 | 159.8 | -81.7 | -172.5 | -168.3 | 160.3 | 5.4 | 113.5 | ||
| 127 | Q | 53.8 | Low | 46.7 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -146.5 | 65.9 | 179.2 | -76.5 | 148.8 | -1.7 | 0 | 0 | 109.5 | ||
| 128 | R | 44.1 | Very low | 46.5 | Very low | 216 Ų | 216 | 145.5 Ų | 145.5 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -143.7 | 100.2 | 165.5 | -151.5 | 173.6 | -168.4 | 177.9 | 2.6 | 110.5 | N125 | N125-R128 WeakPolarHBondContact OD1-CB 3.44Š|
| 129 | G | 41.6 | Very low | 46.4 | Very low | 56 Ų | 56 | 153.4 Ų | 153.4 | 58% | 0.577 | 81% | 0.81 | S | S | * | * | trans | 57.1 | 101.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | F131 | G129-F131 PolarHBondContact O-N 3.2Š| ||
| 130 | M | 48.1 | Very low | 46.2 | Very low | 187 Ų | 187 | 150.3 Ų | 150.3 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | cis | 42.9 | 18.9 | 39.5 | -94.5 | -170.7 | 95.6 | 0 | 0 | 115.7 | ||||
| 131 | F | 43.5 | Very low | 46.3 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 82% | 0.82 | 79% | 0.791 | S | S | * | * | trans | -152.2 | 80.4 | 165.2 | -67.9 | -72.5 | 0 | 0 | 0 | 110.6 | G129 | G129-F131 PolarHBondContact O-N 3.2Š| ||
| 132 | S | 45.6 | Very low | 46.3 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -165.4 | 54.2 | 154.2 | -79.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 133 | R | 47.8 | Very low | 46.4 | Very low | 246 Ų | 246 | 158.5 Ų | 158.5 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | -85.9 | 118.3 | 148 | -86.9 | -168.4 | -175 | -165.1 | 2.1 | 105.4 | G135 | R133-G135 PolarHBondContact O-N 3.46Š| ||
| 134 | Q | 43.5 | Very low | 46.2 | Very low | 189 Ų | 189 | 163.5 Ų | 163.5 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -39.3 | 133 | 166.3 | -77.8 | 153.4 | 24.7 | 0 | 0 | 109.6 | A136 | Q134-A136 PolarHBondContact O-N 2.78Š| ||
| 135 | G | 35.1 | Very low | 46.3 | Very low | 81 Ų | 81 | 160.3 Ų | 160.3 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -52.8 | 124.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | R133 | R133-G135 PolarHBondContact O-N 3.46Š| ||
| 136 | A | 48.2 | Very low | 46.1 | Very low | 76 Ų | 76 | 165.9 Ų | 165.9 | 63% | 0.628 | 80% | 0.803 | S | S | * | * | trans | -152.5 | 91.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 103.1 | Q134 | Q134-A136 PolarHBondContact O-N 2.78Š| ||
| 137 | E | 42.1 | Very low | 45.6 | Very low | 177 Ų | 177 | 156.6 Ų | 156.6 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | 82.8 | 109.6 | 105.5 | -75.2 | 168.9 | 93.1 | 0 | 0 | 112.2 | |||||
| 138 | S | 46.3 | Very low | 45 | Very low | 94 Ų | 94 | 157.9 Ų | 157.9 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | 77.2 | 133.2 | 132.5 | -71.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 139 | R | 44.9 | Very low | 45 | Very low | 215 Ų | 215 | 151 Ų | 151 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | 88.6 | 106 | 145 | -68.6 | 157 | -177.8 | 172.6 | 1.1 | 115.1 | ||||
| 140 | D | 49.4 | Very low | 45.1 | Very low | 133 Ų | 133 | 158 Ų | 158 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | 75.1 | 136 | 95.3 | -71.9 | -49 | 0 | 0 | 0 | 109.3 | |||||
| 141 | D | 50.7 | Low | 44.6 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 64% | 0.642 | 79% | 0.786 | S | S | * | * | cis | -178.5 | 155.1 | 5.3 | -120.3 | -40.6 | 0 | 0 | 0 | 104.5 | ||||
| 142 | N | 50.6 | Low | 44.8 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | 50 | 110.5 | 147.3 | -64.7 | -64.2 | 0 | 0 | 0 | 121.4 | ||||
| 143 | Y | 42.8 | Very low | 44.7 | Very low | 224 Ų | 224 | 155.7 Ų | 155.7 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | -172.2 | 127.8 | 115.4 | -148.5 | -110.3 | 0 | 0 | 0 | 112.6 | |||||
| 144 | R | 44.1 | Very low | 44.4 | Very low | 230 Ų | 230 | 147.4 Ų | 147.4 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -110.3 | 147.2 | 172.2 | -103.4 | -179.8 | 162.9 | 173 | -3.1 | 108.7 | ||||
| 145 | P | 51.6 | Low | 44.4 | Very low | 110 Ų | 110 | 149 Ų | 149 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | -146.9 | 127.1 | 119.1 | 30.2 | -12.5 | 0 | 0 | 0 | 112.4 | |||||
| 146 | R | 42.3 | Very low | 44.8 | Very low | 234 Ų | 234 | 154.5 Ų | 154.5 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | 52.8 | 109.7 | 74.7 | -150.1 | -178.8 | -158.6 | 174.8 | 5.2 | 115.1 | |||||
| 147 | G | 41.8 | Very low | 44.6 | Very low | 56 Ų | 56 | 154.5 Ų | 154.5 | 58% | 0.577 | 79% | 0.788 | S | S | * | * | trans | 162.1 | 107.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 148 | Y | 41.4 | Very low | 44.6 | Very low | 222 Ų | 222 | 155.7 Ų | 155.7 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | 66.1 | 140.8 | 133.6 | -35.7 | -75.3 | 0 | 0 | 0 | 124.3 | ||||
| 149 | G | 43.3 | Very low | 44.4 | Very low | 71 Ų | 71 | 154.2 Ų | 154.2 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | 98.1 | 94.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 150 | E | 43.4 | Very low | 44.5 | Very low | 202 Ų | 202 | 150.2 Ų | 150.2 | 94% | 0.944 | 79% | 0.79 | S | S | * | * | 62.9 | 107.9 | 73.5 | -163 | 152.4 | 96.5 | 0 | 0 | 114.9 | |||||
| 151 | G | 38 | Very low | 44.1 | Very low | 66 Ų | 66 | 155.8 Ų | 155.8 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | trans | 66.2 | 106.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 152 | S | 47.1 | Very low | 43.8 | Very low | 130 Ų | 130 | 155.4 Ų | 155.4 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -160.9 | 113.6 | 137.1 | -86.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 153 | R | 43.3 | Very low | 43.5 | Very low | 255 Ų | 255 | 150.8 Ų | 150.8 | 96% | 0.962 | 79% | 0.793 | S | S | * | * | trans | -66.9 | 148.6 | 168.1 | -68.3 | 170.8 | 172.6 | 145.6 | -2.9 | 109.9 | ||||
| 154 | G | 42.3 | Very low | 43.5 | Very low | 72 Ų | 72 | 147.7 Ų | 147.7 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 116.8 | 99.3 | 149 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 155 | R | 42.8 | Very low | 43.7 | Very low | 222 Ų | 222 | 144.9 Ų | 144.9 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -148.5 | 100.4 | 140.1 | -167.4 | 170.4 | -101.1 | -143 | -2.3 | 110.3 | ||||
| 156 | Y | 44.4 | Very low | 43.5 | Very low | 197 Ų | 197 | 147.3 Ų | 147.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -46.1 | 146.7 | 158.7 | 41.5 | -87.6 | 0 | 0 | 0 | 111.9 | ||||
| 157 | G | 43.9 | Very low | 43.7 | Very low | 76 Ų | 76 | 139.6 Ų | 139.6 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 172.8 | 67.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 158 | F | 42.2 | Very low | 43.8 | Very low | 202 Ų | 202 | 146.1 Ų | 146.1 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | trans | 56.3 | 120.9 | 143.3 | -141.7 | -100.2 | 0 | 0 | 0 | 120.6 | ||||
| 159 | G | 42.9 | Very low | 43.7 | Very low | 62 Ų | 62 | 139.2 Ų | 139.2 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | trans | -93.5 | 157.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 160 | T | 45.5 | Very low | 44 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -151.3 | 106.8 | 156.9 | 22 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 161 | R | 40.9 | Very low | 44.1 | Very low | 250 Ų | 250 | 135.4 Ų | 135.4 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | 52.8 | 83.6 | 57.3 | -154.9 | 176.9 | -159.5 | -177.7 | 5.6 | 114.2 | |||||
| 162 | S | 46 | Very low | 44.5 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | -177.4 | 117 | 129.2 | -160.1 | 0 | 0 | 0 | 0 | 105.8 | |||||
| 163 | G | 42.8 | Very low | 44.7 | Very low | 42 Ų | 42 | 138 Ų | 138 | 43% | 0.433 | 78% | 0.781 | S | S | . | * | 81.4 | 85.4 | 51 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 164 | N | 44.5 | Very low | 44.7 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -143.3 | 110.8 | 152.8 | -149.3 | 35.3 | 0 | 0 | 0 | 110.2 | ||||
| 165 | Y | 48.3 | Very low | 44.6 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 67% | 0.667 | 77% | 0.773 | S | S | * | * | trans | -101.8 | 143.3 | 176.5 | 13.4 | -94.9 | 0 | 0 | 0 | 106.2 | ||||
| 166 | N | 46.6 | Very low | 44.7 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | 173.6 | 108.3 | 143.9 | -84.8 | -11.6 | 0 | 0 | 0 | 105.2 | ||||
| 167 | G | 45.6 | Very low | 44.9 | Very low | 72 Ų | 72 | 129.6 Ų | 129.6 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | cis | 98.8 | 94.8 | 26.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 168 | H | 45.5 | Very low | 44.6 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | trans | -19.1 | 147.5 | 169.2 | -67 | 79.6 | 0 | 0 | 0 | 119.3 | ||||
| 169 | G | 39 | Very low | 44.3 | Very low | 77 Ų | 77 | 129.6 Ų | 129.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -165.3 | 113 | 145.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 170 | P | 48.6 | Very low | 44.4 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -101.8 | 158.5 | 164.2 | 36.7 | -26.6 | 0 | 0 | 0 | 111.2 | ||||
| 171 | G | 45.5 | Very low | 44.4 | Very low | 66 Ų | 66 | 130.7 Ų | 130.7 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | trans | 126.9 | 144.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 172 | D | 46.3 | Very low | 44.7 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | cis | -166.8 | 139.7 | -2.8 | -119.4 | -65.3 | 0 | 0 | 0 | 104.9 | ||||
| 173 | S | 51.7 | Low | 44.4 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | 29.3 | 135.3 | 140.9 | 49.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 174 | N | 44 | Very low | 44.7 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | 150.7 | 142.6 | 107.3 | -154.8 | 16.6 | 0 | 0 | 0 | 115.4 | |||||
| 175 | G | 40.8 | Very low | 44.9 | Very low | 62 Ų | 62 | 135.1 Ų | 135.1 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | trans | 75.9 | 107.1 | 159 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 176 | Q | 44.2 | Very low | 44.2 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | 54.6 | 132 | 51.5 | -78.2 | -169.1 | -1.8 | 0 | 0 | 116.6 | |||||
| 177 | Q | 47.9 | Very low | 44.3 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | trans | 91 | 104.4 | 164.7 | -62 | 162.4 | 50.1 | 0 | 0 | 115.7 | ||||
| 178 | E | 38.3 | Very low | 43.9 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | 78.5 | 124.4 | 72.3 | -72.6 | -175.7 | -169.7 | 0 | 0 | 114.5 | |||||
| 179 | A | 36.5 | Very low | 43.9 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | 76.4 | 132.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 180 | S | 45.1 | Very low | 44 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 103.7 | 105 | 140.8 | 78.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 181 | S | 43.6 | Very low | 43.7 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | 52.6 | 114 | 119.8 | -159.2 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 182 | T | 48.3 | Very low | 43.7 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | -175.9 | 108.9 | 114 | -67.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 183 | M | 39.9 | Very low | 43.6 | Very low | 173 Ų | 173 | 144 Ų | 144 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | 32.2 | 118.5 | 142.2 | -56.1 | -166.1 | -173.8 | 0 | 0 | 120.8 | ||||
| 184 | R | 48.1 | Very low | 43.3 | Very low | 246 Ų | 246 | 144.8 Ų | 144.8 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | trans | -134.8 | 136.3 | 133.5 | -77.3 | -172.6 | 134.3 | -150.1 | -3 | 109.9 | ||||
| 185 | P | 48.1 | Very low | 43.1 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | trans | -81.5 | 142.9 | -157.1 | 32.1 | -34.7 | 0 | 0 | 0 | 113.2 | V187 | P185-V187 PolarHBondContact O-N 3.01Š| ||
| 186 | R | 35.2 | Very low | 43 | Very low | 234 Ų | 234 | 142.1 Ų | 142.1 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -89 | 93.1 | 168 | -164.4 | 177.9 | -169.1 | 154.9 | 2.5 | 107.5 | K188 | R186-K188 PolarHBondContact O-N 3.49Š| ||
| 187 | V | 48.8 | Very low | 42.8 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | -80.4 | 110 | 172.1 | -79.2 | 0 | 0 | 0 | 0 | 109.2 | P185 | P185-V187 PolarHBondContact O-N 3.01Š| ||
| 188 | K | 37.5 | Very low | 42.5 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | -81.3 | 106.9 | 167.2 | -66.2 | 175.4 | 178.8 | -179.2 | 0 | 106.6 | R186 | R186-K188 PolarHBondContact O-N 3.49Š| ||
| 189 | N | 44.3 | Very low | 42.8 | Very low | 126 Ų | 126 | 135 Ų | 135 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | trans | -111.7 | 82.3 | 176.1 | -64.2 | 13.1 | 0 | 0 | 0 | 108.1 | A191 | N189-A191 PolarHBondContact O-N 3.37Š| ||
| 190 | E | 41.2 | Very low | 43.2 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -66.8 | 78.9 | 163.8 | -61.7 | 169 | 118.3 | 0 | 0 | 107.6 | ||||
| 191 | A | 42 | Very low | 42.8 | Very low | 78 Ų | 78 | 136.6 Ų | 136.6 | 65% | 0.645 | 75% | 0.754 | S | S | * | * | trans | -159.3 | 12.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | N189 | N189-A191 PolarHBondContact O-N 3.37Š| ||
| 192 | L | 45.4 | Very low | 42.4 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | trans | -123.8 | 17.9 | -177.7 | -68.6 | 175.9 | 0 | 0 | 0 | 115.4 | S194 I195 | L192-S194 VanDerWaalsContact C-N 3.28Å; L192-S194 PolarHBondContact O-N 3.14Å; L192-I195 HydrophobicContact CD2-CD1 4.08Å | ||
| 193 | D | 44.6 | Very low | 42.4 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 87% | 0.866 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 1.5 | 172.1 | -88 | -76.3 | 0 | 0 | 0 | 114.2 | ||
| 194 | S | 44.9 | Very low | 42.9 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 6.5 | -177.6 | -54.2 | 0 | 0 | 0 | 0 | 115.2 | L192 | L192-S194 VanDerWaalsContact C-N 3.28Å; L192-S194 PolarHBondContact O-N 3.14Å |
| 195 | I | 40.6 | Very low | 42.8 | Very low | 116 Ų | 116 | 128 Ų | 128 | 60% | 0.595 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -110.1 | 5.6 | 173.8 | -47.9 | 175.8 | 0 | 0 | 0 | 111.2 | L192 G197 | L192-I195 HydrophobicContact CD2-CD1 4.08Å; I195-G197 PolarHBondContact O-N 3.43Å |
| 196 | G | 38.8 | Very low | 42.7 | Very low | 58 Ų | 58 | 126.9 Ų | 126.9 | 60% | 0.598 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -7.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 197 | G | 40 | Very low | 43.5 | Very low | 60 Ų | 60 | 121.1 Ų | 121.1 | 62% | 0.619 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -6.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | I195 | I195-G197 PolarHBondContact O-N 3.43Š|
| 198 | L | 42.3 | Very low | 43.5 | Very low | 160 Ų | 160 | 123 Ų | 123 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -112.2 | 1.8 | -175.4 | -141.7 | 77.7 | 0 | 0 | 0 | 114.4 | ||
| 199 | L | 44.6 | Very low | 43.8 | Very low | 156 Ų | 156 | 121.5 Ų | 121.5 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | trans | -112.8 | 27.9 | 179.8 | -72.7 | 163.7 | 0 | 0 | 0 | 112.3 | ||||
| 200 | Q | 44.2 | Very low | 43.9 | Very low | 174 Ų | 174 | 119.1 Ų | 119.1 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | trans | -94.1 | 15.1 | 171.5 | -92.7 | 175.6 | 0.6 | 0 | 0 | 113.4 | G202 | Q200-G202 PolarHBondContact O-N 3.24Š| ||
| 201 | G | 36 | Very low | 44 | Very low | 64 Ų | 64 | 119.8 Ų | 119.8 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -83.5 | 108.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I203 | G201-I203 PolarHBondContact O-N 2.9Š|
| 202 | G | 35.5 | Very low | 44.2 | Very low | 70 Ų | 70 | 120.2 Ų | 120.2 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | trans | -47.7 | 133.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q200 A204 | Q200-G202 PolarHBondContact O-N 3.24Å; G202-A204 PolarHBondContact O-N 2.62Å | ||
| 203 | I | 49 | Very low | 44.1 | Very low | 155 Ų | 155 | 116.3 Ų | 116.3 | 80% | 0.795 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 12.1 | -174.4 | -65.5 | 160 | 0 | 0 | 0 | 112.5 | G201 | G201-I203 PolarHBondContact O-N 2.9Š|
| 204 | A | 49.1 | Very low | 44.1 | Very low | 85 Ų | 85 | 110.6 Ų | 110.6 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -11.4 | -161.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | G202 | G202-A204 PolarHBondContact O-N 2.62Š|
| 205 | D | 46.8 | Very low | 44.4 | Very low | 157 Ų | 157 | 113.2 Ų | 113.2 | 84% | 0.84 | 67% | 0.665 | S | S | * | * | trans | -121 | 37.9 | -165.1 | -93.9 | -74.3 | 0 | 0 | 0 | 116 | ||||
| 206 | N | 45.2 | Very low | 44.8 | Very low | 91 Ų | 91 | 108.6 Ų | 108.6 | 49% | 0.487 | 64% | 0.644 | S | S | . | * | trans | -130.8 | 99.5 | 168.7 | -165.7 | -5.3 | 0 | 0 | 0 | 113.9 | Q208 R209 | N206-Q208 PolarHBondContact O-N 2.88Å; N206-Q208 WeakPolarHBondContact OD1-CB 3.4Å; N206-Q208 PolarHBondContact OD1-N 3.46Å; N206-R209 PolarHBondContact O-N 3.07Å | ||
| 207 | P | 53.7 | Low | 45.5 | Very low | 112 Ų | 112 | 109.6 Ų | 109.6 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -13.2 | 178.7 | 27.6 | -33.8 | 0 | 0 | 0 | 113.8 | R209 | P207-R209 VanDerWaalsContact C-N 3.32Š|
| 208 | Q | 48.1 | Very low | 46.3 | Very low | 153 Ų | 153 | 111.3 Ų | 111.3 | 72% | 0.715 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -18.7 | 176.4 | -59.4 | -168.3 | -71.7 | 0 | 0 | 112.9 | N206 | N206-Q208 PolarHBondContact O-N 2.88Å; N206-Q208 WeakPolarHBondContact OD1-CB 3.4Å; N206-Q208 PolarHBondContact OD1-N 3.46Å |
| 209 | R | 43.6 | Very low | 46.9 | Very low | 136 Ų | 136 | 109.5 Ų | 109.5 | 51% | 0.513 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -81.7 | -25.7 | -177.4 | -152.7 | 172.8 | 176 | -142 | -3.8 | 112.5 | N206 P207 K211 I212 F213 | N206-R209 PolarHBondContact O-N 3.07Å; P207-R209 VanDerWaalsContact C-N 3.32Å; R209-K211 PolarHBondContact O-N 2.94Å; R209-I212 PolarHBondContact O-N 2.57Å; R209-F213 HydrophobicContact CG-CD2 3.59Å; R209-F213 HydrophobicContact CG-CE2 3.51Å; R209-F213 VanDerWaalsContact NE-CE2 3.34Å; R209-F213 WeakPolarHBondContact O-CD2 3.27Å; R209-F213 PolarHBondContact O-N 2.77Å |
| 210 | A | 45.8 | Very low | 47.6 | Very low | 77 Ų | 77 | 102.8 Ų | 102.8 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -66 | -16.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 211 | K | 43.3 | Very low | 48.4 | Very low | 198 Ų | 198 | 95.4 Ų | 95.4 | 86% | 0.861 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -84.3 | -20.6 | 171.6 | -74.3 | -175.6 | 177.3 | -175.2 | 0 | 113.5 | R209 | R209-K211 PolarHBondContact O-N 2.94Š|
| 212 | I | 46 | Very low | 49.5 | Very low | 87 Ų | 87 | 98.5 Ų | 98.5 | 45% | 0.446 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -31.5 | -174.9 | -58 | 171.9 | 0 | 0 | 0 | 110.3 | R209 | R209-I212 PolarHBondContact O-N 2.57Š|
| 213 | F | 43.8 | Very low | 50.8 | Low | 55 Ų | 55 | 97.3 Ų | 97.3 | 24% | 0.241 | 53% | 0.527 | C | S | . | . | S | Bend | trans | -114.7 | 100.8 | 176.6 | -57.4 | -90.2 | 0 | 0 | 0 | 106.3 | R209 I221 | R209-F213 HydrophobicContact CG-CD2 3.59Å; R209-F213 HydrophobicContact CG-CE2 3.51Å; R209-F213 VanDerWaalsContact NE-CE2 3.34Å; R209-F213 WeakPolarHBondContact O-CD2 3.27Å; R209-F213 PolarHBondContact O-N 2.77Å; F213-I221 HydrophobicContact CD1-CD1 4.08Å; F213-I221 HydrophobicContact CD1-CG2 4.36Å; F213-I221 HydrophobicContact CE1-CG2 4.16Å |
| 214 | G | 44.4 | Very low | 51.5 | Low | 41 Ų | 41 | 89.9 Ų | 89.9 | 42% | 0.423 | 49% | 0.489 | S | S | . | . | trans | -55.4 | 176.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A216 | G214-A216 PolarHBondContact O-N 2.78Š| ||
| 215 | D | 50.9 | Low | 52.3 | Low | 173 Ų | 173 | 89 Ų | 89 | 93% | 0.925 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -59.3 | 28.6 | -173.5 | -66.1 | -80.2 | 0 | 0 | 0 | 117.1 | K217 | D215-K217 PolarHBondContact O-N 3Š|
| 216 | A | 48.9 | Very low | 53 | Low | 19 Ų | 19 | 85.4 Ų | 85.4 | 16% | 0.157 | 46% | 0.461 | C | S | . | . | trans | -61.7 | 127.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G214 I221 D240 | G214-A216 PolarHBondContact O-N 2.78Å; A216-I221 HydrophobicContact CB-CD1 3.72Å; A216-I221 HydrophobicContact CB-CG1 4.1Å; A216-D240 HydrophobicContact CB-CB 4.09Å | ||
| 217 | K | 54.6 | Low | 53.9 | Low | 78 Ų | 78 | 82.1 Ų | 82.1 | 34% | 0.339 | 45% | 0.446 | S | S | . | . | trans | -56.2 | 130.5 | 177.6 | -62.3 | 172.6 | 178.1 | -179 | 0 | 110.4 | S48 D215 H219 Y220 | S48-K217 PolarHBondContact OG-NZ 3.21Å; D215-K217 PolarHBondContact O-N 3Å; K217-H219 VanDerWaalsContact C-N 3.26Å; K217-H219 VanDerWaalsContact CB-CE1 3.44Å; K217-H219 WeakPolarHBondContact CB-CE1 3.19Å; K217-H219 PolarHBondContact O-N 2.87Å; K217-H219 VanDerWaalsContact O-N 3.14Å; K217-Y220 PolarHBondContact O-N 2.62Å | ||
| 218 | P | 55.7 | Low | 54.2 | Low | 96 Ų | 96 | 76.9 Ų | 76.9 | 62% | 0.623 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.6 | -24.3 | -170.8 | 22.5 | -32.9 | 0 | 0 | 0 | 114.4 | Q222 | P218-Q222 WeakPolarHBondContact O-CG 2.99Å; P218-Q222 PolarHBondContact O-N 3.03Å |
| 219 | H | 56 | Low | 54.9 | Low | 122 Ų | 122 | 77.9 Ų | 77.9 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68.7 | -38.8 | -178.1 | 51.8 | -103.8 | 0 | 0 | 0 | 113.3 | K217 Q222 S223 | K217-H219 VanDerWaalsContact C-N 3.26Å; K217-H219 VanDerWaalsContact CB-CE1 3.44Å; K217-H219 WeakPolarHBondContact CB-CE1 3.19Å; K217-H219 PolarHBondContact O-N 2.87Å; K217-H219 VanDerWaalsContact O-N 3.14Å; H219-Q222 PolarHBondContact O-N 3.22Å; H219-S223 PolarHBondContact O-N 3.35Å |
| 220 | Y | 59.7 | Low | 55.7 | Low | 15 Ų | 15 | 79.8 Ų | 79.8 | 6% | 0.059 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -76.2 | -36.8 | -176.8 | 171.9 | -91 | 0 | 0 | 0 | 111.5 | K217 Q222 S223 I224 I250 E278 I282 | K217-Y220 PolarHBondContact O-N 2.62Å; Y220-Q222 VanDerWaalsContact C-N 3.27Å; Y220-Q222 PolarHBondContact O-N 3.49Å; Y220-S223 PolarHBondContact O-N 3.19Å; Y220-I224 HydrophobicContact CD1-CD1 4.33Å; Y220-I224 HydrophobicContact CD1-CG1 4.46Å; Y220-I224 HydrophobicContact CE1-CD1 3.34Å; Y220-I224 HydrophobicContact CE1-CG1 3.88Å; Y220-I224 HydrophobicContact CE2-CD1 3.99Å; Y220-I224 HydrophobicContact CE2-CG1 4.13Å; Y220-I224 PolarHBondContact O-N 3.24Å; Y220-I224 WeakPolarHBondContact OH-CD1 3.38Å; Y220-I250 HydrophobicContact CD1-CD1 3.68Å; Y220-I250 HydrophobicContact CE1-CD1 3.08Å; Y220-I250 HydrophobicContact CE1-CG1 4.35Å; Y220-I250 HydrophobicContact CE1-CG2 4.2Å; Y220-I250 HydrophobicContact CE2-CD1 4.42Å; Y220-I250 VanDerWaalsContact CZ-CD1 3.46Å; Y220-E278 HydrophobicContact CE2-CB 4.44Å; Y220-I282 HydrophobicContact CE2-CD1 3.62Å; Y220-I282 HydrophobicContact CE2-CG1 3.34Å; Y220-I282 WeakPolarHBondContact OH-CD1 3.4Å; Y220-I282 WeakPolarHBondContact OH-CG1 3.37Å |
| 221 | I | 60.5 | Low | 56.3 | Low | 20 Ų | 20 | 78.7 Ų | 78.7 | 10% | 0.103 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 173 | -55.9 | 170.9 | 0 | 0 | 0 | 109.9 | F213 A216 I224 V225 | F213-I221 HydrophobicContact CD1-CD1 4.08Å; F213-I221 HydrophobicContact CD1-CG2 4.36Å; F213-I221 HydrophobicContact CE1-CG2 4.16Å; A216-I221 HydrophobicContact CB-CD1 3.72Å; A216-I221 HydrophobicContact CB-CG1 4.1Å; I221-I224 PolarHBondContact O-N 3.35Å; I221-V225 HydrophobicContact CG2-CG2 4.15Å; I221-V225 VanDerWaalsContact O-CB 3.29Å; I221-V225 WeakPolarHBondContact O-CB 3.42Å; I221-V225 WeakPolarHBondContact O-CG2 3.4Å; I221-V225 PolarHBondContact O-N 2.8Å |
| 222 | Q | 59.1 | Low | 57 | Low | 129 Ų | 129 | 78.3 Ų | 78.3 | 60% | 0.603 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.1 | -41.6 | 177.9 | -78.3 | -177.2 | -23.7 | 0 | 0 | 112.5 | P218 H219 Y220 V225 C226 | P218-Q222 WeakPolarHBondContact O-CG 2.99Å; P218-Q222 PolarHBondContact O-N 3.03Å; H219-Q222 PolarHBondContact O-N 3.22Å; Y220-Q222 VanDerWaalsContact C-N 3.27Å; Y220-Q222 PolarHBondContact O-N 3.49Å; Q222-V225 PolarHBondContact O-N 3.46Å; Q222-C226 VanDerWaalsContact O-CB 3.27Å; Q222-C226 WeakPolarHBondContact O-CB 3.44Å; Q222-C226 PolarHBondContact O-N 3.49Å |
| 223 | S | 61.8 | Low | 57.8 | Low | 44 Ų | 44 | 74.7 Ų | 74.7 | 31% | 0.308 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 178.5 | -148.8 | 0 | 0 | 0 | 0 | 111.9 | H219 Y220 V225 C226 A227 E278 | H219-S223 PolarHBondContact O-N 3.35Å; Y220-S223 PolarHBondContact O-N 3.19Å; S223-V225 PolarHBondContact O-N 3.46Å; S223-C226 WeakPolarHBondContact O-CB 3.42Å; S223-C226 PolarHBondContact O-N 2.75Å; S223-A227 WeakPolarHBondContact O-CB 3.49Å; S223-A227 PolarHBondContact O-N 2.97Å; S223-E278 WeakPolarHBondContact CB-OE1 3.46Å; S223-E278 WeakPolarHBondContact CB-OE2 3.44Å; S223-E278 PolarHBondContact OG-OE1 2.76Å; S223-E278 PolarHBondContact OG-OE2 3.37Å |
| 224 | I | 64.1 | Low | 58.4 | Low | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.1 | -74.5 | -152.3 | 0 | 0 | 0 | 112.6 | Y220 I221 C226 A227 C228 L235 V238 V252 L275 E278 | Y220-I224 HydrophobicContact CD1-CD1 4.33Å; Y220-I224 HydrophobicContact CD1-CG1 4.46Å; Y220-I224 HydrophobicContact CE1-CD1 3.34Å; Y220-I224 HydrophobicContact CE1-CG1 3.88Å; Y220-I224 HydrophobicContact CE2-CD1 3.99Å; Y220-I224 HydrophobicContact CE2-CG1 4.13Å; Y220-I224 PolarHBondContact O-N 3.24Å; Y220-I224 WeakPolarHBondContact OH-CD1 3.38Å; I221-I224 PolarHBondContact O-N 3.35Å; I224-C226 VanDerWaalsContact C-N 3.28Å; I224-C226 PolarHBondContact O-N 2.85Å; I224-A227 PolarHBondContact O-N 3.08Å; I224-C228 WeakPolarHBondContact O-CB 3.45Å; I224-C228 PolarHBondContact O-N 3.36Å; I224-C228 PolarHBondContact O-SG 3.03Å; I224-L235 HydrophobicContact CG2-CD1 3.3Å; I224-V238 HydrophobicContact CG2-CG2 4.33Å; I224-V252 HydrophobicContact CD1-CG2 4.41Å; I224-L275 HydrophobicContact CD1-CD2 4.13Å; I224-L275 HydrophobicContact CG1-CD2 4.1Å; I224-L275 HydrophobicContact CG2-CD2 4.38Å; I224-E278 HydrophobicContact CG1-CG 4.4Å |
| 225 | V | 65.6 | Low | 59.2 | Low | 67 Ų | 67 | 75.3 Ų | 75.3 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 177 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | I221 Q222 S223 K229 L235 | I221-V225 HydrophobicContact CG2-CG2 4.15Å; I221-V225 VanDerWaalsContact O-CB 3.29Å; I221-V225 WeakPolarHBondContact O-CB 3.42Å; I221-V225 WeakPolarHBondContact O-CG2 3.4Å; I221-V225 PolarHBondContact O-N 2.8Å; Q222-V225 PolarHBondContact O-N 3.46Å; S223-V225 PolarHBondContact O-N 3.46Å; V225-K229 WeakPolarHBondContact O-CB 3.47Å; V225-K229 PolarHBondContact O-N 2.81Å; V225-K229 VanDerWaalsContact O-N 3.1Å; V225-L235 HydrophobicContact CG2-CD2 4.24Å |
| 226 | C | 63.2 | Low | 59.7 | Low | 81 Ų | 81 | 71.3 Ų | 71.3 | 55% | 0.547 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.5 | -49.8 | 176.1 | -157.3 | 0 | 0 | 0 | 0 | 111.4 | Q222 S223 I224 C228 K229 E230 | Q222-C226 VanDerWaalsContact O-CB 3.27Å; Q222-C226 WeakPolarHBondContact O-CB 3.44Å; Q222-C226 PolarHBondContact O-N 3.49Å; S223-C226 WeakPolarHBondContact O-CB 3.42Å; S223-C226 PolarHBondContact O-N 2.75Å; I224-C226 VanDerWaalsContact C-N 3.28Å; I224-C226 PolarHBondContact O-N 2.85Å; C226-C228 VanDerWaalsContact C-N 3.35Å; C226-C228 PolarHBondContact O-N 3.12Å; C226-K229 WeakPolarHBondContact O-CB 3.33Å; C226-K229 PolarHBondContact O-N 3.25Å; C226-E230 PolarHBondContact O-N 2.9Å |
| 227 | A | 62.6 | Low | 60.2 | Low | 21 Ų | 21 | 73.1 Ų | 73.1 | 17% | 0.174 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S223 I224 E230 | S223-A227 WeakPolarHBondContact O-CB 3.49Å; S223-A227 PolarHBondContact O-N 2.97Å; I224-A227 PolarHBondContact O-N 3.08Å; A227-E230 PolarHBondContact O-N 3.21Å |
| 228 | C | 61.2 | Low | 60.5 | Low | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.02 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.4 | -31.8 | 177.8 | -67.5 | 0 | 0 | 0 | 0 | 113.1 | I224 C226 E230 I231 I233 L235 | I224-C228 WeakPolarHBondContact O-CB 3.45Å; I224-C228 PolarHBondContact O-N 3.36Å; I224-C228 PolarHBondContact O-SG 3.03Å; C226-C228 VanDerWaalsContact C-N 3.35Å; C226-C228 PolarHBondContact O-N 3.12Å; C228-E230 VanDerWaalsContact C-N 3.26Å; C228-E230 PolarHBondContact O-N 3.15Å; C228-I231 PolarHBondContact O-N 2.8Å; C228-I233 PolarHBondContact O-N 3.42Å; C228-L235 HydrophobicContact CB-CB 4.01Å; C228-L235 HydrophobicContact CB-CD1 4.17Å; C228-L235 VanDerWaalsContact SG-CD1 3.51Å |
| 229 | K | 62.8 | Low | 60.8 | Low | 174 Ų | 174 | 67.7 Ų | 67.7 | 76% | 0.757 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.8 | -31.1 | 178.4 | -167.4 | 174.8 | -177.3 | -178 | 0 | 112 | V225 C226 I231 | V225-K229 WeakPolarHBondContact O-CB 3.47Å; V225-K229 PolarHBondContact O-N 2.81Å; V225-K229 VanDerWaalsContact O-N 3.1Å; C226-K229 WeakPolarHBondContact O-CB 3.33Å; C226-K229 PolarHBondContact O-N 3.25Å; K229-I231 PolarHBondContact O-N 3.33Å |
| 230 | E | 58.9 | Low | 61.2 | Low | 175 Ų | 175 | 63.7 Ų | 63.7 | 82% | 0.818 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.6 | -22.6 | 178.7 | -148.3 | 169.4 | 113 | 0 | 0 | 112.7 | C226 A227 C228 | C226-E230 PolarHBondContact O-N 2.9Å; A227-E230 PolarHBondContact O-N 3.21Å; C228-E230 VanDerWaalsContact C-N 3.26Å; C228-E230 PolarHBondContact O-N 3.15Å |
| 231 | I | 59.1 | Low | 61.2 | Low | 55 Ų | 55 | 67.2 Ų | 67.2 | 28% | 0.282 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 10.2 | -172 | -50.6 | -177 | 0 | 0 | 0 | 112.8 | C228 K229 I233 A274 | C228-I231 PolarHBondContact O-N 2.8Å; K229-I231 PolarHBondContact O-N 3.33Å; I231-I233 HydrophobicContact CB-CD1 3.79Å; I231-I233 HydrophobicContact CB-CG1 3.92Å; I231-I233 HydrophobicContact CG2-CD1 3.43Å; I231-I233 VanDerWaalsContact CG2-CD1 3.43Å; I231-I233 HydrophobicContact CG2-CG1 3.76Å; I231-I233 PolarHBondContact O-N 2.89Å; I231-A274 HydrophobicContact CD1-CB 3.09Å; I231-A274 HydrophobicContact CG1-CB 4.43Å |
| 232 | K | 58.3 | Low | 61.1 | Low | 189 Ų | 189 | 68.8 Ų | 68.8 | 82% | 0.822 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 35.9 | -170.7 | -60 | -179.2 | 178.1 | 178.8 | 0 | 111.8 | ||
| 233 | I | 62 | Low | 61 | Low | 11 Ų | 11 | 67.8 Ų | 67.8 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | trans | -101.7 | 124.2 | 177.2 | -71 | 178.5 | 0 | 0 | 0 | 107.3 | C228 I231 L235 V254 | C228-I233 PolarHBondContact O-N 3.42Å; I231-I233 HydrophobicContact CB-CD1 3.79Å; I231-I233 HydrophobicContact CB-CG1 3.92Å; I231-I233 HydrophobicContact CG2-CD1 3.43Å; I231-I233 VanDerWaalsContact CG2-CD1 3.43Å; I231-I233 HydrophobicContact CG2-CG1 3.76Å; I231-I233 PolarHBondContact O-N 2.89Å; I233-L235 PolarHBondContact O-N 2.88Å; I233-V254 HydrophobicContact CB-CG1 4.44Å; I233-V254 HydrophobicContact CG2-CB 4.44Å; I233-V254 HydrophobicContact CG2-CG1 2.99Å | ||
| 234 | S | 57.8 | Low | 60.7 | Low | 71 Ų | 71 | 69.3 Ų | 69.3 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 100.6 | 175.2 | -61.4 | 0 | 0 | 0 | 0 | 108.9 | Q236 V255 | S234-Q236 PolarHBondContact O-N 3.08Å; S234-V255 CarbonylContact C-O 3.56Å; S234-V255 WeakPolarHBondContact CA-O 3.09Å; S234-V255 WeakPolarHBondContact CB-O 3.48Å; S234-V255 PolarHBondContact N-O 3.28Å; S234-V255 VanDerWaalsContact N-O 3.1Å; S234-V255 PolarHBondContact O-N 3.31Å |
| 235 | L | 60.7 | Low | 60.2 | Low | 39 Ų | 39 | 73.4 Ų | 73.4 | 20% | 0.204 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 119 | 170.6 | -174.7 | 145.1 | 0 | 0 | 0 | 108.8 | I224 V225 C228 I233 V238 V252 | I224-L235 HydrophobicContact CG2-CD1 3.3Å; V225-L235 HydrophobicContact CG2-CD2 4.24Å; C228-L235 HydrophobicContact CB-CB 4.01Å; C228-L235 HydrophobicContact CB-CD1 4.17Å; C228-L235 VanDerWaalsContact SG-CD1 3.51Å; I233-L235 PolarHBondContact O-N 2.88Å; L235-V238 HydrophobicContact CD1-CG2 4Å; L235-V238 HydrophobicContact CD2-CG2 3.58Å; L235-V238 HydrophobicContact CG-CG2 4.25Å; L235-V252 HydrophobicContact CD1-CG1 3.86Å; L235-V252 HydrophobicContact CG-CG1 4.46Å |
| 236 | Q | 60.5 | Low | 59.6 | Low | 88 Ų | 88 | 74.7 Ų | 74.7 | 41% | 0.411 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -37.9 | -176.2 | -74.9 | -69 | -2.1 | 0 | 0 | 112.4 | S234 T253 V255 W295 | S234-Q236 PolarHBondContact O-N 3.08Å; Q236-T253 PolarHBondContact N-O 3.03Å; Q236-V255 HydrophobicContact CB-CG2 4.07Å; Q236-V255 HydrophobicContact CG-CB 3.79Å; Q236-V255 HydrophobicContact CG-CG2 3.45Å; Q236-V255 VanDerWaalsContact CG-CG2 3.45Å; Q236-W295 HydrophobicContact CB-CD2 4.49Å; Q236-W295 HydrophobicContact CB-CH2 3.97Å; Q236-W295 HydrophobicContact CB-CZ2 3.67Å; Q236-W295 HydrophobicContact CB-CZ3 4.49Å; Q236-W295 HydrophobicContact CG-CD2 4.3Å; Q236-W295 HydrophobicContact CG-CZ2 4.09Å |
| 237 | E | 59.5 | Low | 59.5 | Low | 58 Ų | 58 | 72.2 Ų | 72.2 | 27% | 0.271 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 133.8 | -171.8 | -157.5 | 179 | 63.2 | 0 | 0 | 111.8 | I239 T253 W295 | E237-I239 HydrophobicContact CG-CD1 4.21Å; E237-I239 HydrophobicContact CG-CG1 3.85Å; E237-I239 WeakPolarHBondContact OE1-CD1 3.43Å; E237-T253 PolarHBondContact N-O 3.22Å; E237-T253 PolarHBondContact O-N 3.49Å; E237-W295 HydrophobicContact CB-CH2 4.38Å |
| 238 | V | 62 | Low | 59.5 | Low | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.024 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 110.5 | 168.8 | -176.4 | 0 | 0 | 0 | 0 | 106.9 | I224 L235 I250 V252 | I224-V238 HydrophobicContact CG2-CG2 4.33Å; L235-V238 HydrophobicContact CD1-CG2 4Å; L235-V238 HydrophobicContact CD2-CG2 3.58Å; L235-V238 HydrophobicContact CG-CG2 4.25Å; V238-I250 HydrophobicContact CG1-CG2 3.5Å; V238-I250 VanDerWaalsContact CG1-CG2 3.5Å; V238-V252 HydrophobicContact CG1-CG2 4.45Å; V238-V252 HydrophobicContact CG2-CG1 4.49Å |
| 239 | I | 62.1 | Low | 59.8 | Low | 55 Ų | 55 | 77.2 Ų | 77.2 | 28% | 0.282 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.8 | 177 | -56.9 | 174.2 | 0 | 0 | 0 | 108 | E237 Q241 K251 | E237-I239 HydrophobicContact CG-CD1 4.21Å; E237-I239 HydrophobicContact CG-CG1 3.85Å; E237-I239 WeakPolarHBondContact OE1-CD1 3.43Å; I239-Q241 HydrophobicContact CG2-CG 4.07Å; I239-Q241 PolarHBondContact O-N 3.33Å; I239-K251 HydrophobicContact CB-CB 4.25Å; I239-K251 HydrophobicContact CD1-CD 4.36Å; I239-K251 PolarHBondContact N-O 3.44Å; I239-K251 PolarHBondContact O-N 3.03Å |
| 240 | D | 64.1 | Low | 60.3 | Low | 38 Ų | 38 | 69.2 Ų | 69.2 | 20% | 0.203 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 121.1 | 165 | -173.7 | -89.1 | 0 | 0 | 0 | 109.3 | A216 S242 | A216-D240 HydrophobicContact CB-CB 4.09Å; D240-S242 WeakPolarHBondContact OD1-CB 3.3Å; D240-S242 PolarHBondContact OD1-N 3.48Å; D240-S242 PolarHBondContact OD1-OG 3.03Å |
| 241 | Q | 59 | Low | 61.2 | Low | 89 Ų | 89 | 63.7 Ų | 63.7 | 42% | 0.416 | 36% | 0.363 | S | S | . | . | trans | -112.2 | 30.1 | 174.7 | -60 | -161.1 | -72.8 | 0 | 0 | 110.3 | I239 D243 K249 K251 | I239-Q241 HydrophobicContact CG2-CG 4.07Å; I239-Q241 PolarHBondContact O-N 3.33Å; Q241-D243 PolarHBondContact O-N 3.46Å; Q241-K249 CarbonylContact C-O 3.52Å; Q241-K249 WeakPolarHBondContact CA-O 3.21Å; Q241-K249 HydrophobicContact CB-CB 4.34Å; Q241-K249 PolarHBondContact N-O 3.48Å; Q241-K249 WeakPolarHBondContact O-CB 3.34Å; Q241-K251 HydrophobicContact CG-CB 4.08Å | ||
| 242 | S | 58.8 | Low | 62 | Low | 53 Ų | 53 | 61.1 Ų | 61.1 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | trans | -65.3 | 102.6 | -176 | 65.3 | 0 | 0 | 0 | 0 | 110.6 | D240 G244 K249 | D240-S242 WeakPolarHBondContact OD1-CB 3.3Å; D240-S242 PolarHBondContact OD1-N 3.48Å; D240-S242 PolarHBondContact OD1-OG 3.03Å; S242-G244 PolarHBondContact O-N 3.15Å; S242-K249 PolarHBondContact N-O 3.17Å | ||
| 243 | D | 57.5 | Low | 62.9 | Low | 109 Ų | 109 | 52.3 Ų | 52.3 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | trans | -75.1 | 49.9 | 174.6 | -60 | -73.2 | 0 | 0 | 0 | 111 | Q241 C245 K249 | Q241-D243 PolarHBondContact O-N 3.46Å; D243-C245 WeakPolarHBondContact O-CA 3.45Å; D243-C245 WeakPolarHBondContact O-CB 3.34Å; D243-C245 PolarHBondContact O-N 3.03Å; D243-K249 WeakPolarHBondContact OD2-CD 3.5Å; D243-K249 IonicContact OD2-NZ 2.71Å; D243-K249 PolarHBondContact OD2-NZ 3.45Å | ||
| 244 | G | 54.2 | Low | 63.6 | Low | 76 Ų | 76 | 51.8 Ų | 51.8 | 78% | 0.784 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 49.1 | 3.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | S242 | S242-G244 PolarHBondContact O-N 3.15Š|
| 245 | C | 54 | Low | 64.7 | Low | 85 Ų | 85 | 48.8 Ų | 48.8 | 57% | 0.574 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -126.4 | -34.6 | -156.4 | 179 | 0 | 0 | 0 | 0 | 114.2 | D243 | D243-C245 WeakPolarHBondContact O-CA 3.45Å; D243-C245 WeakPolarHBondContact O-CB 3.34Å; D243-C245 PolarHBondContact O-N 3.03Å |
| 246 | C | 52.2 | Low | 65.6 | Low | 94 Ų | 94 | 47.3 Ų | 47.3 | 64% | 0.635 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -158.7 | 32.6 | -174.1 | 50.3 | 0 | 0 | 0 | 0 | 116.4 | H283 | C246-H283 PolarHBondContact O-CD2 2.79Å; C246-H283 VanDerWaalsContact O-CD2 3.31Å |
| 247 | G | 62.1 | Low | 66.5 | Low | 30 Ų | 30 | 50.4 Ų | 50.4 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 123.6 | 168.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K249 | G247-K249 PolarHBondContact O-N 2.77Š|
| 248 | L | 61.6 | Low | 67.1 | Low | 54 Ų | 54 | 51.4 Ų | 51.4 | 28% | 0.283 | 30% | 0.302 | S | S | . | . | trans | -65.7 | 115.2 | -179.5 | -68.1 | 169.2 | 0 | 0 | 0 | 109.7 | I250 H283 A284 | L248-I250 HydrophobicContact CB-CD1 4.16Å; L248-I250 HydrophobicContact CB-CG1 4.32Å; L248-H283 PolarHBondContact O-N 2.95Å; L248-A284 PolarHBondContact O-N 3.3Å; L248-A284 VanDerWaalsContact O-N 3.1Å | ||
| 249 | K | 68.5 | Low | 67.9 | Low | 75 Ų | 75 | 51.9 Ų | 51.9 | 33% | 0.326 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.9 | 169.3 | -60.8 | -172.9 | -176.1 | 170.3 | 0 | 107.9 | Q241 S242 D243 G247 A284 | Q241-K249 CarbonylContact C-O 3.52Å; Q241-K249 WeakPolarHBondContact CA-O 3.21Å; Q241-K249 HydrophobicContact CB-CB 4.34Å; Q241-K249 PolarHBondContact N-O 3.48Å; Q241-K249 WeakPolarHBondContact O-CB 3.34Å; S242-K249 PolarHBondContact N-O 3.17Å; D243-K249 WeakPolarHBondContact OD2-CD 3.5Å; D243-K249 IonicContact OD2-NZ 2.71Å; D243-K249 PolarHBondContact OD2-NZ 3.45Å; G247-K249 PolarHBondContact O-N 2.77Å; K249-A284 CarbonylContact C-O 3.5Å; K249-A284 VanDerWaalsContact CA-O 3.27Å; K249-A284 WeakPolarHBondContact CA-O 3.44Å; K249-A284 HydrophobicContact CG-CB 4.14Å |
| 250 | I | 72.5 | Confident | 68.6 | Low | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 128.4 | -172.2 | -58.1 | -178.7 | 0 | 0 | 0 | 109.5 | Y220 V238 L248 V252 I282 A284 I285 S286 | Y220-I250 HydrophobicContact CD1-CD1 3.68Å; Y220-I250 HydrophobicContact CE1-CD1 3.08Å; Y220-I250 HydrophobicContact CE1-CG1 4.35Å; Y220-I250 HydrophobicContact CE1-CG2 4.2Å; Y220-I250 HydrophobicContact CE2-CD1 4.42Å; Y220-I250 VanDerWaalsContact CZ-CD1 3.46Å; V238-I250 HydrophobicContact CG1-CG2 3.5Å; V238-I250 VanDerWaalsContact CG1-CG2 3.5Å; L248-I250 HydrophobicContact CB-CD1 4.16Å; L248-I250 HydrophobicContact CB-CG1 4.32Å; I250-V252 HydrophobicContact CG2-CG2 3.91Å; I250-I282 HydrophobicContact CD1-CG2 4.42Å; I250-I282 HydrophobicContact CG1-CG2 4.47Å; I250-A284 PolarHBondContact N-O 3.5Å; I250-I285 CarbonylContact O-C 3.59Å; I250-I285 VanDerWaalsContact O-CA 3.29Å; I250-I285 WeakPolarHBondContact O-CA 3.43Å; I250-I285 WeakPolarHBondContact O-CG1 3.26Å; I250-S286 PolarHBondContact O-N 3.26Å |
| 251 | K | 77.9 | Confident | 69.4 | Low | 59 Ų | 59 | 58.4 Ų | 58.4 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 114.7 | 176.5 | -179 | -174.5 | 179.6 | -166.7 | 0 | 109.2 | I239 Q241 S286 I288 | I239-K251 HydrophobicContact CB-CB 4.25Å; I239-K251 HydrophobicContact CD1-CD 4.36Å; I239-K251 PolarHBondContact N-O 3.44Å; I239-K251 PolarHBondContact O-N 3.03Å; Q241-K251 HydrophobicContact CG-CB 4.08Å; K251-S286 CarbonylContact C-O 3.58Å; K251-S286 VanDerWaalsContact CA-O 3.25Å; K251-S286 WeakPolarHBondContact CA-O 3.43Å; K251-I288 HydrophobicContact CD-CD1 4.38Å; K251-I288 HydrophobicContact CG-CD1 4.32Å |
| 252 | V | 76 | Confident | 70.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.8 | -177.2 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | I224 L235 V238 I250 V254 I285 S286 I287 I288 | I224-V252 HydrophobicContact CD1-CG2 4.41Å; L235-V252 HydrophobicContact CD1-CG1 3.86Å; L235-V252 HydrophobicContact CG-CG1 4.46Å; V238-V252 HydrophobicContact CG1-CG2 4.45Å; V238-V252 HydrophobicContact CG2-CG1 4.49Å; I250-V252 HydrophobicContact CG2-CG2 3.91Å; V252-V254 HydrophobicContact CG1-CG2 3.73Å; V252-I285 HydrophobicContact CG2-CD1 3.91Å; V252-I285 HydrophobicContact CG2-CG1 4.14Å; V252-S286 PolarHBondContact N-O 3.2Å; V252-I287 CarbonylContact O-C 3.55Å; V252-I287 WeakPolarHBondContact O-CA 3.33Å; V252-I288 PolarHBondContact O-N 3.2Å |
| 253 | T | 77.8 | Confident | 71.7 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.8 | 173.4 | -52 | 0 | 0 | 0 | 0 | 110.2 | Q236 E237 I288 K290 W295 | Q236-T253 PolarHBondContact N-O 3.03Å; E237-T253 PolarHBondContact N-O 3.22Å; E237-T253 PolarHBondContact O-N 3.49Å; T253-I288 WeakPolarHBondContact CA-O 3.48Å; T253-I288 HydrophobicContact CG2-CB 4.25Å; T253-I288 HydrophobicContact CG2-CG2 4.25Å; T253-K290 HydrophobicContact CG2-CG 4.35Å; T253-W295 HydrophobicContact CG2-CE3 3.98Å; T253-W295 HydrophobicContact CG2-CH2 4.48Å; T253-W295 HydrophobicContact CG2-CZ3 3.58Å |
| 254 | V | 77.2 | Confident | 72.9 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.8 | -171.8 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | I233 V252 F259 I271 I287 I288 S289 K290 | I233-V254 HydrophobicContact CB-CG1 4.44Å; I233-V254 HydrophobicContact CG2-CB 4.44Å; I233-V254 HydrophobicContact CG2-CG1 2.99Å; V252-V254 HydrophobicContact CG1-CG2 3.73Å; V254-F259 HydrophobicContact CB-CE2 4.38Å; V254-F259 HydrophobicContact CG1-CE2 3.85Å; V254-F259 HydrophobicContact CG1-CZ 3.86Å; V254-I271 HydrophobicContact CB-CD1 4.07Å; V254-I271 HydrophobicContact CG1-CD1 4.19Å; V254-I271 HydrophobicContact CG1-CG1 4.42Å; V254-I271 HydrophobicContact CG2-CD1 4.14Å; V254-I271 HydrophobicContact CG2-CG2 4.32Å; V254-I287 HydrophobicContact CG2-CG2 4.4Å; V254-I288 PolarHBondContact N-O 3.41Å; V254-S289 CarbonylContact O-C 3.58Å; V254-S289 WeakPolarHBondContact O-CA 3.44Å; V254-K290 PolarHBondContact O-N 3.2Å |
| 255 | V | 79.5 | Confident | 74.4 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.1 | 179.5 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | S234 Q236 K290 P292 W295 | S234-V255 CarbonylContact C-O 3.56Å; S234-V255 WeakPolarHBondContact CA-O 3.09Å; S234-V255 WeakPolarHBondContact CB-O 3.48Å; S234-V255 PolarHBondContact N-O 3.28Å; S234-V255 VanDerWaalsContact N-O 3.1Å; S234-V255 PolarHBondContact O-N 3.31Å; Q236-V255 HydrophobicContact CB-CG2 4.07Å; Q236-V255 HydrophobicContact CG-CB 3.79Å; Q236-V255 HydrophobicContact CG-CG2 3.45Å; Q236-V255 VanDerWaalsContact CG-CG2 3.45Å; V255-K290 WeakPolarHBondContact CA-O 3.17Å; V255-K290 HydrophobicContact CG2-CB 4.27Å; V255-P292 HydrophobicContact CG1-CB 4.21Å; V255-W295 HydrophobicContact CG1-CB 4.02Å; V255-W295 HydrophobicContact CG1-CG 4.41Å; V255-W295 HydrophobicContact CG2-CB 3.82Å; V255-W295 HydrophobicContact CG2-CD2 3.77Å; V255-W295 HydrophobicContact CG2-CE3 3.93Å; V255-W295 HydrophobicContact CG2-CG 3.73Å |
| 256 | S | 79.8 | Confident | 75.8 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 6% | 0.056 | 35% | 0.346 | C | S | . | . | trans | -149.3 | 143.4 | 176.1 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | L258 F259 K290 | S256-L258 PolarHBondContact O-N 3.26Å; S256-L258 WeakPolarHBondContact OG-CB 3.37Å; S256-L258 PolarHBondContact OG-N 3.49Å; S256-F259 VanDerWaalsContact CB-CE2 3.49Å; S256-F259 WeakPolarHBondContact O-CD2 3.34Å; S256-F259 PolarHBondContact O-N 3.06Å; S256-K290 PolarHBondContact N-O 3.27Å | ||
| 257 | E | 80 | Confident | 77.3 | Confident | 153 Ų | 153 | 59.5 Ų | 59.5 | 72% | 0.715 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -63.9 | -24.7 | 168.7 | -68.3 | 179.7 | -178.1 | 0 | 0 | 111.8 | F259 K260 P292 | E257-F259 PolarHBondContact O-N 3.01Å; E257-F259 VanDerWaalsContact O-N 3.16Å; E257-K260 VanDerWaalsContact O-CB 3.24Å; E257-K260 WeakPolarHBondContact O-CB 3.39Å; E257-K260 PolarHBondContact O-N 3.19Å; E257-P292 HydrophobicContact CG-CG 3.88Å |
| 258 | L | 73.1 | Confident | 78.2 | Confident | 80 Ų | 80 | 60.4 Ų | 60.4 | 42% | 0.419 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -67.5 | -14.2 | -179.9 | -61 | 179.6 | 0 | 0 | 0 | 113.6 | S256 K260 K262 M270 | S256-L258 PolarHBondContact O-N 3.26Å; S256-L258 WeakPolarHBondContact OG-CB 3.37Å; S256-L258 PolarHBondContact OG-N 3.49Å; L258-K260 VanDerWaalsContact C-N 3.3Å; L258-K262 VanDerWaalsContact O-CD 3.28Å; L258-K262 WeakPolarHBondContact O-CD 3.27Å; L258-K262 VanDerWaalsContact O-CE 3.28Å; L258-K262 WeakPolarHBondContact O-CE 3.43Å; L258-M270 HydrophobicContact CD1-CE 4.35Å |
| 259 | F | 77.6 | Confident | 79.3 | Confident | 13 Ų | 13 | 63 Ų | 63 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -81.8 | -9.7 | 174.4 | -56.6 | -43.7 | 0 | 0 | 0 | 112.7 | V254 S256 E257 G261 K262 C267 I271 K290 T291 | V254-F259 HydrophobicContact CB-CE2 4.38Å; V254-F259 HydrophobicContact CG1-CE2 3.85Å; V254-F259 HydrophobicContact CG1-CZ 3.86Å; S256-F259 VanDerWaalsContact CB-CE2 3.49Å; S256-F259 WeakPolarHBondContact O-CD2 3.34Å; S256-F259 PolarHBondContact O-N 3.06Å; E257-F259 PolarHBondContact O-N 3.01Å; E257-F259 VanDerWaalsContact O-N 3.16Å; F259-G261 PolarHBondContact O-N 3.42Å; F259-G261 VanDerWaalsContact O-N 3.14Å; F259-K262 PolarHBondContact O-N 3.38Å; F259-C267 HydrophobicContact CD1-CB 3.57Å; F259-C267 WeakPolarHBondContact CD1-SG 3.24Å; F259-C267 HydrophobicContact CE1-CB 3.81Å; F259-C267 HydrophobicContact CG-CB 4.44Å; F259-I271 HydrophobicContact CE1-CD1 4.24Å; F259-I271 HydrophobicContact CE1-CG1 4.41Å; F259-I271 HydrophobicContact CZ-CD1 3.78Å; F259-I271 HydrophobicContact CZ-CG1 4.08Å; F259-K290 WeakPolarHBondContact CD2-O 3.35Å; F259-T291 HydrophobicContact CB-CG2 4.38Å |
| 260 | K | 78.3 | Confident | 79.8 | Confident | 143 Ų | 143 | 61.6 Ų | 61.6 | 62% | 0.622 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 110.7 | 177.5 | -167.7 | 166.3 | -177.3 | 161.6 | 0 | 109.8 | E257 L258 E293 | E257-K260 VanDerWaalsContact O-CB 3.24Å; E257-K260 WeakPolarHBondContact O-CB 3.39Å; E257-K260 PolarHBondContact O-N 3.19Å; L258-K260 VanDerWaalsContact C-N 3.3Å; K260-E293 IonicContact NZ-OE1 2.82Å; K260-E293 PolarHBondContact NZ-OE1 2.93Å |
| 261 | G | 80.6 | Confident | 80.1 | Confident | 87 Ų | 87 | 61.4 Ų | 61.4 | 90% | 0.897 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89 | 0.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | F259 | F259-G261 PolarHBondContact O-N 3.42Å; F259-G261 VanDerWaalsContact O-N 3.14Å |
| 262 | K | 80.5 | Confident | 80.3 | Confident | 98 Ų | 98 | 62.5 Ų | 62.5 | 43% | 0.426 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -92.1 | 155.3 | 172.7 | -64.4 | -170.9 | -173.8 | -178.1 | 0 | 111.3 | L258 F259 M270 | L258-K262 VanDerWaalsContact O-CD 3.28Å; L258-K262 WeakPolarHBondContact O-CD 3.27Å; L258-K262 VanDerWaalsContact O-CE 3.28Å; L258-K262 WeakPolarHBondContact O-CE 3.43Å; F259-K262 PolarHBondContact O-N 3.38Å; K262-M270 HydrophobicContact CD-SD 4.02Å; K262-M270 PolarHBondContact NZ-SD 3.02Å |
| 263 | K | 85.3 | Confident | 80.6 | Confident | 160 Ų | 160 | 68 Ų | 68 | 70% | 0.696 | 35% | 0.351 | S | S | * | . | trans | -72 | 148.6 | 172.5 | -63.5 | 178.1 | 178.2 | 175 | 0 | 109.4 | V265 D266 C267 | K263-V265 PolarHBondContact O-N 3.23Å; K263-V265 VanDerWaalsContact O-N 3.16Å; K263-D266 WeakPolarHBondContact CB-OD2 3.47Å; K263-D266 WeakPolarHBondContact O-CB 3.43Å; K263-D266 PolarHBondContact O-N 3.41Å; K263-C267 PolarHBondContact O-N 3.13Å; K263-C267 PolarHBondContact O-SG 2.85Å | ||
| 264 | L | 82.8 | Confident | 80.4 | Confident | 109 Ų | 109 | 68.3 Ų | 68.3 | 57% | 0.571 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -54.6 | -36.2 | 178.5 | -177.5 | 150.5 | 0 | 0 | 0 | 112.6 | C267 H268 | L264-C267 WeakPolarHBondContact O-CB 3.43Å; L264-C267 PolarHBondContact O-N 2.75Å; L264-H268 WeakPolarHBondContact CD2-CE1 3.29Å; L264-H268 PolarHBondContact O-CD2 2.8Å; L264-H268 PolarHBondContact O-N 2.86Å |
| 265 | V | 84.6 | Confident | 80.3 | Confident | 82 Ų | 82 | 68.4 Ų | 68.4 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 175.9 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | K263 C267 H268 H269 | K263-V265 PolarHBondContact O-N 3.23Å; K263-V265 VanDerWaalsContact O-N 3.16Å; V265-C267 VanDerWaalsContact C-N 3.32Å; V265-C267 PolarHBondContact O-N 3.02Å; V265-H268 PolarHBondContact O-N 2.81Å; V265-H269 PolarHBondContact O-N 2.84Å |
| 266 | D | 83.6 | Confident | 80.3 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 41% | 0.406 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 177.6 | -58.7 | -43.4 | 0 | 0 | 0 | 110.6 | K263 H268 H269 M270 | K263-D266 WeakPolarHBondContact CB-OD2 3.47Å; K263-D266 WeakPolarHBondContact O-CB 3.43Å; K263-D266 PolarHBondContact O-N 3.41Å; D266-H268 VanDerWaalsContact C-N 3.35Å; D266-H269 PolarHBondContact O-N 3.5Å; D266-M270 VanDerWaalsContact O-CG 3.31Å; D266-M270 WeakPolarHBondContact O-CG 3.18Å; D266-M270 PolarHBondContact O-N 2.91Å |
| 267 | C | 83.3 | Confident | 80.1 | Confident | 4 Ų | 4 | 80.9 Ų | 80.9 | 3% | 0.027 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 174.1 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | F259 K263 L264 V265 M270 I271 | F259-C267 HydrophobicContact CD1-CB 3.57Å; F259-C267 WeakPolarHBondContact CD1-SG 3.24Å; F259-C267 HydrophobicContact CE1-CB 3.81Å; F259-C267 HydrophobicContact CG-CB 4.44Å; K263-C267 PolarHBondContact O-N 3.13Å; K263-C267 PolarHBondContact O-SG 2.85Å; L264-C267 WeakPolarHBondContact O-CB 3.43Å; L264-C267 PolarHBondContact O-N 2.75Å; V265-C267 VanDerWaalsContact C-N 3.32Å; V265-C267 PolarHBondContact O-N 3.02Å; C267-M270 PolarHBondContact O-N 3.2Å; C267-I271 WeakPolarHBondContact O-CG1 3.41Å; C267-I271 PolarHBondContact O-N 3.27Å |
| 268 | H | 82.9 | Confident | 79.5 | Confident | 49 Ų | 49 | 75.1 Ų | 75.1 | 23% | 0.227 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 177.2 | -76.7 | -165.7 | 0 | 0 | 0 | 111.7 | L264 V265 D266 M270 I271 Y272 | L264-H268 WeakPolarHBondContact CD2-CE1 3.29Å; L264-H268 PolarHBondContact O-CD2 2.8Å; L264-H268 PolarHBondContact O-N 2.86Å; V265-H268 PolarHBondContact O-N 2.81Å; D266-H268 VanDerWaalsContact C-N 3.35Å; H268-M270 VanDerWaalsContact C-N 3.32Å; H268-M270 PolarHBondContact O-N 2.94Å; H268-I271 PolarHBondContact O-N 3.44Å; H268-I271 VanDerWaalsContact O-N 3.13Å; H268-Y272 HydrophobicContact CB-CD2 4.2Å; H268-Y272 HydrophobicContact CB-CE2 4.06Å; H268-Y272 WeakPolarHBondContact O-CD2 3.38Å; H268-Y272 PolarHBondContact O-N 3.25Å |
| 269 | H | 82.9 | Confident | 79.4 | Confident | 109 Ų | 109 | 75 Ų | 75 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 176.4 | -72.5 | -179.1 | 0 | 0 | 0 | 111.7 | V265 D266 I271 Y272 D273 | V265-H269 PolarHBondContact O-N 2.84Å; D266-H269 PolarHBondContact O-N 3.5Å; H269-I271 VanDerWaalsContact C-N 3.25Å; H269-I271 PolarHBondContact O-N 3.13Å; H269-Y272 PolarHBondContact O-N 2.94Å; H269-D273 WeakPolarHBondContact O-CB 3.49Å; H269-D273 PolarHBondContact O-N 3.25Å |
| 270 | M | 79 | Confident | 79.1 | Confident | 46 Ų | 46 | 79.6 Ų | 79.6 | 23% | 0.227 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.6 | -37.7 | 176.3 | -71.4 | 177.3 | 66.1 | 0 | 0 | 113 | L258 K262 D266 C267 H268 A274 | L258-M270 HydrophobicContact CD1-CE 4.35Å; K262-M270 HydrophobicContact CD-SD 4.02Å; K262-M270 PolarHBondContact NZ-SD 3.02Å; D266-M270 VanDerWaalsContact O-CG 3.31Å; D266-M270 WeakPolarHBondContact O-CG 3.18Å; D266-M270 PolarHBondContact O-N 2.91Å; C267-M270 PolarHBondContact O-N 3.2Å; H268-M270 VanDerWaalsContact C-N 3.32Å; H268-M270 PolarHBondContact O-N 2.94Å; M270-A274 PolarHBondContact O-N 3.15Å |
| 271 | I | 79.5 | Confident | 78.6 | Confident | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.01 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -79.6 | -37.5 | -179.6 | -58.1 | 163.4 | 0 | 0 | 0 | 110.8 | V254 F259 C267 H268 H269 A274 L275 I287 | V254-I271 HydrophobicContact CB-CD1 4.07Å; V254-I271 HydrophobicContact CG1-CD1 4.19Å; V254-I271 HydrophobicContact CG1-CG1 4.42Å; V254-I271 HydrophobicContact CG2-CD1 4.14Å; V254-I271 HydrophobicContact CG2-CG2 4.32Å; F259-I271 HydrophobicContact CE1-CD1 4.24Å; F259-I271 HydrophobicContact CE1-CG1 4.41Å; F259-I271 HydrophobicContact CZ-CD1 3.78Å; F259-I271 HydrophobicContact CZ-CG1 4.08Å; C267-I271 WeakPolarHBondContact O-CG1 3.41Å; C267-I271 PolarHBondContact O-N 3.27Å; H268-I271 PolarHBondContact O-N 3.44Å; H268-I271 VanDerWaalsContact O-N 3.13Å; H269-I271 VanDerWaalsContact C-N 3.25Å; H269-I271 PolarHBondContact O-N 3.13Å; I271-A274 VanDerWaalsContact O-CB 3.27Å; I271-A274 WeakPolarHBondContact O-CB 3.14Å; I271-A274 PolarHBondContact O-N 3.41Å; I271-L275 HydrophobicContact CG2-CD1 3.73Å; I271-L275 HydrophobicContact CG2-CG 4.31Å; I271-L275 WeakPolarHBondContact O-CB 3.22Å; I271-L275 WeakPolarHBondContact O-CG 3.38Å; I271-L275 PolarHBondContact O-N 2.94Å; I271-I287 HydrophobicContact CB-CD1 4.47Å; I271-I287 HydrophobicContact CB-CG2 4.17Å; I271-I287 HydrophobicContact CD1-CG2 3.47Å; I271-I287 VanDerWaalsContact CD1-CG2 3.47Å; I271-I287 HydrophobicContact CG1-CG2 4.39Å; I271-I287 HydrophobicContact CG2-CD1 3.85Å; I271-I287 HydrophobicContact CG2-CG1 4.31Å; I271-I287 HydrophobicContact CG2-CG2 3.74Å |
| 272 | Y | 81.7 | Confident | 78.1 | Confident | 82 Ų | 82 | 72.9 Ų | 72.9 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 175.4 | -75.9 | -56.1 | 0 | 0 | 0 | 112.4 | H268 H269 A274 L275 K276 M279 I285 I287 | H268-Y272 HydrophobicContact CB-CD2 4.2Å; H268-Y272 HydrophobicContact CB-CE2 4.06Å; H268-Y272 WeakPolarHBondContact O-CD2 3.38Å; H268-Y272 PolarHBondContact O-N 3.25Å; H269-Y272 PolarHBondContact O-N 2.94Å; Y272-A274 VanDerWaalsContact C-N 3.26Å; Y272-A274 PolarHBondContact O-N 3.38Å; Y272-L275 CarbonylContact O-C 3.6Å; Y272-L275 PolarHBondContact O-N 3.49Å; Y272-K276 PolarHBondContact O-N 3.22Å; Y272-M279 HydrophobicContact CD1-CE 3.26Å; Y272-M279 HydrophobicContact CD1-SD 4.2Å; Y272-M279 HydrophobicContact CE1-CE 3.36Å; Y272-M279 HydrophobicContact CG-CE 4.42Å; Y272-I285 HydrophobicContact CE1-CG2 4.24Å; Y272-I287 HydrophobicContact CD1-CD1 3.79Å; Y272-I287 HydrophobicContact CE1-CD1 3.44Å; Y272-I287 VanDerWaalsContact CE1-CD1 3.44Å; Y272-I287 HydrophobicContact CE2-CD1 4.46Å; Y272-I287 HydrophobicContact CG-CD1 4.44Å |
| 273 | D | 81.9 | Confident | 77.3 | Confident | 116 Ų | 116 | 75 Ų | 75 | 62% | 0.62 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.3 | -36 | 174.1 | -79.2 | -36.1 | 0 | 0 | 0 | 111.5 | H269 | H269-D273 WeakPolarHBondContact O-CB 3.49Å; H269-D273 PolarHBondContact O-N 3.25Å |
| 274 | A | 74.8 | Confident | 76.7 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I231 M270 I271 Y272 | I231-A274 HydrophobicContact CD1-CB 3.09Å; I231-A274 HydrophobicContact CG1-CB 4.43Å; M270-A274 PolarHBondContact O-N 3.15Å; I271-A274 VanDerWaalsContact O-CB 3.27Å; I271-A274 WeakPolarHBondContact O-CB 3.14Å; I271-A274 PolarHBondContact O-N 3.41Å; Y272-A274 VanDerWaalsContact C-N 3.26Å; Y272-A274 PolarHBondContact O-N 3.38Å |
| 275 | L | 75 | Confident | 76.3 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 8.1 | -172.6 | -65 | 176.7 | 0 | 0 | 0 | 112.5 | I224 I271 Y272 D277 E278 M279 I285 I287 | I224-L275 HydrophobicContact CD1-CD2 4.13Å; I224-L275 HydrophobicContact CG1-CD2 4.1Å; I224-L275 HydrophobicContact CG2-CD2 4.38Å; I271-L275 HydrophobicContact CG2-CD1 3.73Å; I271-L275 HydrophobicContact CG2-CG 4.31Å; I271-L275 WeakPolarHBondContact O-CB 3.22Å; I271-L275 WeakPolarHBondContact O-CG 3.38Å; I271-L275 PolarHBondContact O-N 2.94Å; Y272-L275 CarbonylContact O-C 3.6Å; Y272-L275 PolarHBondContact O-N 3.49Å; L275-D277 VanDerWaalsContact C-N 3.25Å; L275-D277 PolarHBondContact O-N 3.01Å; L275-E278 CarbonylContact O-C 3.58Å; L275-E278 PolarHBondContact O-N 2.89Å; L275-M279 WeakPolarHBondContact O-CG 3.43Å; L275-M279 PolarHBondContact O-N 3.48Å; L275-I285 HydrophobicContact CD1-CD1 3.66Å; L275-I287 HydrophobicContact CD1-CD1 4.32Å |
| 276 | K | 78.8 | Confident | 76 | Confident | 142 Ų | 142 | 64.8 Ų | 64.8 | 62% | 0.617 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -38.8 | -175.2 | -174 | 177.6 | 179.3 | -179.8 | 0 | 112.4 | Y272 E278 | Y272-K276 PolarHBondContact O-N 3.22Å; K276-E278 VanDerWaalsContact C-N 3.3Å; K276-E278 PolarHBondContact O-N 3.03Å |
| 277 | D | 76.1 | Confident | 75.8 | Confident | 135 Ų | 135 | 62 Ų | 62 | 72% | 0.722 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -26.5 | 177.8 | -65.3 | -81.8 | 0 | 0 | 0 | 112.8 | L275 P280 | L275-D277 VanDerWaalsContact C-N 3.25Å; L275-D277 PolarHBondContact O-N 3.01Å; D277-P280 WeakPolarHBondContact O-CD 3.28Å |
| 278 | E | 68.4 | Low | 75.8 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -20.9 | -178.7 | -63.2 | -58.5 | 132.3 | 0 | 0 | 113.4 | Y220 S223 I224 L275 K276 S281 I282 | Y220-E278 HydrophobicContact CE2-CB 4.44Å; S223-E278 WeakPolarHBondContact CB-OE1 3.46Å; S223-E278 WeakPolarHBondContact CB-OE2 3.44Å; S223-E278 PolarHBondContact OG-OE1 2.76Å; S223-E278 PolarHBondContact OG-OE2 3.37Å; I224-E278 HydrophobicContact CG1-CG 4.4Å; L275-E278 CarbonylContact O-C 3.58Å; L275-E278 PolarHBondContact O-N 2.89Å; K276-E278 VanDerWaalsContact C-N 3.3Å; K276-E278 PolarHBondContact O-N 3.03Å; E278-S281 PolarHBondContact O-N 3.28Å; E278-S281 VanDerWaalsContact O-N 3.15Å; E278-I282 HydrophobicContact CB-CD1 4.3Å; E278-I282 VanDerWaalsContact O-CD1 3.26Å; E278-I282 WeakPolarHBondContact O-CD1 3.11Å; E278-I282 WeakPolarHBondContact O-CG1 3.44Å |
| 279 | M | 70.7 | Confident | 75.7 | Confident | 76 Ų | 76 | 63 Ų | 63 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -48.8 | -42.3 | 175.6 | -85.1 | -165.1 | 132.7 | 0 | 0 | 116.1 | Y272 L275 S281 I282 I285 | Y272-M279 HydrophobicContact CD1-CE 3.26Å; Y272-M279 HydrophobicContact CD1-SD 4.2Å; Y272-M279 HydrophobicContact CE1-CE 3.36Å; Y272-M279 HydrophobicContact CG-CE 4.42Å; L275-M279 WeakPolarHBondContact O-CG 3.43Å; L275-M279 PolarHBondContact O-N 3.48Å; M279-S281 PolarHBondContact O-N 3Å; M279-S281 VanDerWaalsContact O-N 3.11Å; M279-I282 PolarHBondContact O-N 3.45Å; M279-I282 VanDerWaalsContact O-N 3.12Å; M279-I285 HydrophobicContact CE-CG2 4.41Å |
| 280 | P | 71.4 | Confident | 75.6 | Confident | 110 Ų | 110 | 60.4 Ų | 60.4 | 71% | 0.714 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -62.6 | -21 | -178.4 | 22.4 | -33.7 | 0 | 0 | 0 | 113.9 | D277 | D277-P280 WeakPolarHBondContact O-CD 3.28Š|
| 281 | S | 67.6 | Low | 75.8 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -87.6 | -12.5 | -179.8 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | E278 M279 | E278-S281 PolarHBondContact O-N 3.28Å; E278-S281 VanDerWaalsContact O-N 3.15Å; M279-S281 PolarHBondContact O-N 3Å; M279-S281 VanDerWaalsContact O-N 3.11Å |
| 282 | I | 68.4 | Low | 75.8 | Confident | 18 Ų | 18 | 61 Ų | 61 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | trans | -113.9 | 121.2 | -168.5 | -45.2 | 154.3 | 0 | 0 | 0 | 108.9 | Y220 I250 E278 M279 A284 I285 | Y220-I282 HydrophobicContact CE2-CD1 3.62Å; Y220-I282 HydrophobicContact CE2-CG1 3.34Å; Y220-I282 WeakPolarHBondContact OH-CD1 3.4Å; Y220-I282 WeakPolarHBondContact OH-CG1 3.37Å; I250-I282 HydrophobicContact CD1-CG2 4.42Å; I250-I282 HydrophobicContact CG1-CG2 4.47Å; E278-I282 HydrophobicContact CB-CD1 4.3Å; E278-I282 VanDerWaalsContact O-CD1 3.26Å; E278-I282 WeakPolarHBondContact O-CD1 3.11Å; E278-I282 WeakPolarHBondContact O-CG1 3.44Å; M279-I282 PolarHBondContact O-N 3.45Å; M279-I282 VanDerWaalsContact O-N 3.12Å; I282-A284 VanDerWaalsContact CG2-O 3.28Å; I282-A284 WeakPolarHBondContact CG2-O 3.19Å; I282-I285 HydrophobicContact CD1-CD1 4.3Å; I282-I285 HydrophobicContact CG2-CB 4.16Å | ||
| 283 | H | 64.6 | Low | 75.7 | Confident | 143 Ų | 143 | 61.9 Ų | 61.9 | 66% | 0.662 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -75.5 | -33.5 | -179.8 | -77.1 | 62.8 | 0 | 0 | 0 | 112.1 | C246 L248 | C246-H283 PolarHBondContact O-CD2 2.79Å; C246-H283 VanDerWaalsContact O-CD2 3.31Å; L248-H283 PolarHBondContact O-N 2.95Å |
| 284 | A | 72.1 | Confident | 75.8 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 37% | 0.372 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 139.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L248 K249 I250 I282 | L248-A284 PolarHBondContact O-N 3.3Å; L248-A284 VanDerWaalsContact O-N 3.1Å; K249-A284 CarbonylContact C-O 3.5Å; K249-A284 VanDerWaalsContact CA-O 3.27Å; K249-A284 WeakPolarHBondContact CA-O 3.44Å; K249-A284 HydrophobicContact CG-CB 4.14Å; I250-A284 PolarHBondContact N-O 3.5Å; I282-A284 VanDerWaalsContact CG2-O 3.28Å; I282-A284 WeakPolarHBondContact CG2-O 3.19Å |
| 285 | I | 76.1 | Confident | 76.1 | Confident | 30 Ų | 30 | 62.1 Ų | 62.1 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.7 | 176.4 | -165 | 177.5 | 0 | 0 | 0 | 110.6 | I250 V252 Y272 L275 M279 I282 I287 | I250-I285 CarbonylContact O-C 3.59Å; I250-I285 VanDerWaalsContact O-CA 3.29Å; I250-I285 WeakPolarHBondContact O-CA 3.43Å; I250-I285 WeakPolarHBondContact O-CG1 3.26Å; V252-I285 HydrophobicContact CG2-CD1 3.91Å; V252-I285 HydrophobicContact CG2-CG1 4.14Å; Y272-I285 HydrophobicContact CE1-CG2 4.24Å; L275-I285 HydrophobicContact CD1-CD1 3.66Å; M279-I285 HydrophobicContact CE-CG2 4.41Å; I282-I285 HydrophobicContact CD1-CD1 4.3Å; I282-I285 HydrophobicContact CG2-CB 4.16Å; I285-I287 HydrophobicContact CD1-CD1 4.24Å; I285-I287 HydrophobicContact CD1-CG1 3.94Å; I285-I287 HydrophobicContact CG1-CG1 3.99Å; I285-I287 HydrophobicContact CG2-CD1 4.24Å; I285-I287 HydrophobicContact CG2-CG1 4.36Å |
| 286 | S | 78.1 | Confident | 76.4 | Confident | 61 Ų | 61 | 68.3 Ų | 68.3 | 43% | 0.427 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 100.2 | 174.6 | -73.6 | 0 | 0 | 0 | 0 | 108.9 | I250 K251 V252 | I250-S286 PolarHBondContact O-N 3.26Å; K251-S286 CarbonylContact C-O 3.58Å; K251-S286 VanDerWaalsContact CA-O 3.25Å; K251-S286 WeakPolarHBondContact CA-O 3.43Å; V252-S286 PolarHBondContact N-O 3.2Å |
| 287 | I | 79.6 | Confident | 76.5 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 9% | 0.092 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 132.1 | -178.2 | -61.1 | 163.7 | 0 | 0 | 0 | 109.7 | V252 V254 I271 Y272 L275 I285 | V252-I287 CarbonylContact O-C 3.55Å; V252-I287 WeakPolarHBondContact O-CA 3.33Å; V254-I287 HydrophobicContact CG2-CG2 4.4Å; I271-I287 HydrophobicContact CB-CD1 4.47Å; I271-I287 HydrophobicContact CB-CG2 4.17Å; I271-I287 HydrophobicContact CD1-CG2 3.47Å; I271-I287 VanDerWaalsContact CD1-CG2 3.47Å; I271-I287 HydrophobicContact CG1-CG2 4.39Å; I271-I287 HydrophobicContact CG2-CD1 3.85Å; I271-I287 HydrophobicContact CG2-CG1 4.31Å; I271-I287 HydrophobicContact CG2-CG2 3.74Å; Y272-I287 HydrophobicContact CD1-CD1 3.79Å; Y272-I287 HydrophobicContact CE1-CD1 3.44Å; Y272-I287 VanDerWaalsContact CE1-CD1 3.44Å; Y272-I287 HydrophobicContact CE2-CD1 4.46Å; Y272-I287 HydrophobicContact CG-CD1 4.44Å; L275-I287 HydrophobicContact CD1-CD1 4.32Å; I285-I287 HydrophobicContact CD1-CD1 4.24Å; I285-I287 HydrophobicContact CD1-CG1 3.94Å; I285-I287 HydrophobicContact CG1-CG1 3.99Å; I285-I287 HydrophobicContact CG2-CD1 4.24Å; I285-I287 HydrophobicContact CG2-CG1 4.36Å |
| 288 | I | 82 | Confident | 76.3 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 26% | 0.256 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 107.2 | 174.9 | -57.3 | -175.4 | 0 | 0 | 0 | 108.8 | K251 V252 T253 V254 K290 | K251-I288 HydrophobicContact CD-CD1 4.38Å; K251-I288 HydrophobicContact CG-CD1 4.32Å; V252-I288 PolarHBondContact O-N 3.2Å; T253-I288 WeakPolarHBondContact CA-O 3.48Å; T253-I288 HydrophobicContact CG2-CB 4.25Å; T253-I288 HydrophobicContact CG2-CG2 4.25Å; V254-I288 PolarHBondContact N-O 3.41Å; I288-K290 HydrophobicContact CG2-CD 4.15Å; I288-K290 HydrophobicContact CG2-CG 3.93Å |
| 289 | S | 81.8 | Confident | 76.4 | Confident | 23 Ų | 23 | 69.6 Ų | 69.6 | 16% | 0.161 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 125.5 | 170.9 | 60.3 | 0 | 0 | 0 | 0 | 110.8 | V254 | V254-S289 CarbonylContact O-C 3.58Å; V254-S289 WeakPolarHBondContact O-CA 3.44Å |
| 290 | K | 80.9 | Confident | 76.6 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 24% | 0.243 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.9 | 175.4 | -61.6 | -68.7 | 177.7 | 170.1 | 0 | 111 | T253 V254 V255 S256 F259 I288 Q294 M298 | T253-K290 HydrophobicContact CG2-CG 4.35Å; V254-K290 PolarHBondContact O-N 3.2Å; V255-K290 WeakPolarHBondContact CA-O 3.17Å; V255-K290 HydrophobicContact CG2-CB 4.27Å; S256-K290 PolarHBondContact N-O 3.27Å; F259-K290 WeakPolarHBondContact CD2-O 3.35Å; I288-K290 HydrophobicContact CG2-CD 4.15Å; I288-K290 HydrophobicContact CG2-CG 3.93Å; K290-Q294 HydrophobicContact CB-CB 4.34Å; K290-Q294 HydrophobicContact CD-CB 4.28Å; K290-M298 HydrophobicContact CD-SD 4.08Å; K290-M298 VanDerWaalsContact CE-SD 3.59Å |
| 291 | T | 82.9 | Confident | 76.4 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 13% | 0.129 | 36% | 0.36 | C | S | . | . | trans | -76.6 | 155.7 | 164.9 | 62.5 | 0 | 0 | 0 | 0 | 109.8 | F259 E293 Q294 W295 | F259-T291 HydrophobicContact CB-CG2 4.38Å; T291-E293 PolarHBondContact O-N 3.48Å; T291-Q294 VanDerWaalsContact N-OE1 3.12Å; T291-Q294 WeakPolarHBondContact O-CB 3.31Å; T291-Q294 PolarHBondContact O-N 3.01Å; T291-Q294 WeakPolarHBondContact OG1-CB 3.44Å; T291-Q294 VanDerWaalsContact OG1-CG 3.23Å; T291-Q294 WeakPolarHBondContact OG1-CG 3.19Å; T291-Q294 PolarHBondContact OG1-N 2.74Å; T291-Q294 PolarHBondContact OG1-OE1 3.35Å; T291-W295 PolarHBondContact O-N 2.87Å | ||
| 292 | P | 78.8 | Confident | 76.1 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 26% | 0.26 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.9 | -40.9 | 175.3 | 19.9 | -32.1 | 0 | 0 | 0 | 112.1 | V255 E257 Q294 W295 E296 | V255-P292 HydrophobicContact CG1-CB 4.21Å; E257-P292 HydrophobicContact CG-CG 3.88Å; P292-Q294 VanDerWaalsContact C-N 3.29Å; P292-Q294 PolarHBondContact O-N 2.87Å; P292-W295 WeakPolarHBondContact O-CB 3.43Å; P292-W295 PolarHBondContact O-N 3.19Å; P292-W295 VanDerWaalsContact O-N 3.14Å; P292-E296 WeakPolarHBondContact O-CG 3.49Å; P292-E296 PolarHBondContact O-N 3.17Å |
| 293 | E | 80.5 | Confident | 75.6 | Confident | 99 Ų | 99 | 70.4 Ų | 70.4 | 46% | 0.463 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60 | -36.2 | 175.5 | -62.6 | 173 | -160 | 0 | 0 | 113.1 | K260 T291 K297 | K260-E293 IonicContact NZ-OE1 2.82Å; K260-E293 PolarHBondContact NZ-OE1 2.93Å; T291-E293 PolarHBondContact O-N 3.48Å; E293-K297 WeakPolarHBondContact O-CG 3.48Å; E293-K297 PolarHBondContact O-N 2.75Å |
| 294 | Q | 82.9 | Confident | 74.8 | Confident | 93 Ų | 93 | 71.7 Ų | 71.7 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -75 | -38.8 | 175.8 | -75 | 172.2 | -19.8 | 0 | 0 | 111.8 | K290 T291 P292 K297 M298 | K290-Q294 HydrophobicContact CB-CB 4.34Å; K290-Q294 HydrophobicContact CD-CB 4.28Å; T291-Q294 VanDerWaalsContact N-OE1 3.12Å; T291-Q294 WeakPolarHBondContact O-CB 3.31Å; T291-Q294 PolarHBondContact O-N 3.01Å; T291-Q294 WeakPolarHBondContact OG1-CB 3.44Å; T291-Q294 VanDerWaalsContact OG1-CG 3.23Å; T291-Q294 WeakPolarHBondContact OG1-CG 3.19Å; T291-Q294 PolarHBondContact OG1-N 2.74Å; T291-Q294 PolarHBondContact OG1-OE1 3.35Å; P292-Q294 VanDerWaalsContact C-N 3.29Å; P292-Q294 PolarHBondContact O-N 2.87Å; Q294-K297 PolarHBondContact O-N 3.28Å; Q294-M298 PolarHBondContact O-N 2.81Å |
| 295 | W | 81.4 | Confident | 73.4 | Confident | 39 Ų | 39 | 78.3 Ų | 78.3 | 15% | 0.148 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 177.6 | 179.2 | -107.2 | 0 | 0 | 0 | 111.2 | Q236 E237 T253 V255 T291 P292 K297 M298 N299 | Q236-W295 HydrophobicContact CB-CD2 4.49Å; Q236-W295 HydrophobicContact CB-CH2 3.97Å; Q236-W295 HydrophobicContact CB-CZ2 3.67Å; Q236-W295 HydrophobicContact CB-CZ3 4.49Å; Q236-W295 HydrophobicContact CG-CD2 4.3Å; Q236-W295 HydrophobicContact CG-CZ2 4.09Å; E237-W295 HydrophobicContact CB-CH2 4.38Å; T253-W295 HydrophobicContact CG2-CE3 3.98Å; T253-W295 HydrophobicContact CG2-CH2 4.48Å; T253-W295 HydrophobicContact CG2-CZ3 3.58Å; V255-W295 HydrophobicContact CG1-CB 4.02Å; V255-W295 HydrophobicContact CG1-CG 4.41Å; V255-W295 HydrophobicContact CG2-CB 3.82Å; V255-W295 HydrophobicContact CG2-CD2 3.77Å; V255-W295 HydrophobicContact CG2-CE3 3.93Å; V255-W295 HydrophobicContact CG2-CG 3.73Å; T291-W295 PolarHBondContact O-N 2.87Å; P292-W295 WeakPolarHBondContact O-CB 3.43Å; P292-W295 PolarHBondContact O-N 3.19Å; P292-W295 VanDerWaalsContact O-N 3.14Å; W295-K297 VanDerWaalsContact C-N 3.33Å; W295-K297 PolarHBondContact O-N 3.33Å; W295-M298 PolarHBondContact O-N 3.11Å; W295-M298 VanDerWaalsContact O-N 3.17Å; W295-N299 WeakPolarHBondContact O-CB 3.34Å; W295-N299 PolarHBondContact O-N 2.78Å |
| 296 | E | 80.3 | Confident | 73.3 | Confident | 131 Ų | 131 | 80.8 Ų | 80.8 | 61% | 0.612 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60 | -42.5 | 176.4 | -72.4 | -178.1 | 116.6 | 0 | 0 | 111.9 | P292 M298 N299 A300 | P292-E296 WeakPolarHBondContact O-CG 3.49Å; P292-E296 PolarHBondContact O-N 3.17Å; E296-M298 PolarHBondContact O-N 3.23Å; E296-N299 PolarHBondContact O-N 2.9Å; E296-A300 WeakPolarHBondContact O-CB 3.4Å; E296-A300 PolarHBondContact O-N 2.95Å |
| 297 | K | 81.7 | Confident | 73 | Confident | 161 Ų | 161 | 81.8 Ų | 81.8 | 70% | 0.7 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.2 | -40.8 | 175.1 | -72.7 | 175.8 | -177.5 | 179.3 | 0 | 112.5 | E293 Q294 W295 A301 | E293-K297 WeakPolarHBondContact O-CG 3.48Å; E293-K297 PolarHBondContact O-N 2.75Å; Q294-K297 PolarHBondContact O-N 3.28Å; W295-K297 VanDerWaalsContact C-N 3.33Å; W295-K297 PolarHBondContact O-N 3.33Å; K297-A301 WeakPolarHBondContact O-CB 3.29Å; K297-A301 PolarHBondContact O-N 2.79Å |
| 298 | M | 72.7 | Confident | 72.6 | Confident | 94 Ų | 94 | 85.3 Ų | 85.3 | 46% | 0.463 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68 | -42.8 | 176.4 | -78.1 | -176 | 58.7 | 0 | 0 | 112 | K290 Q294 W295 E296 A301 A302 | K290-M298 HydrophobicContact CD-SD 4.08Å; K290-M298 VanDerWaalsContact CE-SD 3.59Å; Q294-M298 PolarHBondContact O-N 2.81Å; W295-M298 PolarHBondContact O-N 3.11Å; W295-M298 VanDerWaalsContact O-N 3.17Å; E296-M298 PolarHBondContact O-N 3.23Å; M298-A301 PolarHBondContact O-N 3.14Å; M298-A302 PolarHBondContact O-N 3.33Å |
| 299 | N | 70.7 | Confident | 72.1 | Confident | 83 Ų | 83 | 87.4 Ų | 87.4 | 44% | 0.444 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.1 | -38.9 | -179.1 | -163.1 | 38.3 | 0 | 0 | 0 | 111.5 | W295 E296 A301 A302 V303 | W295-N299 WeakPolarHBondContact O-CB 3.34Å; W295-N299 PolarHBondContact O-N 2.78Å; E296-N299 PolarHBondContact O-N 2.9Å; N299-A301 VanDerWaalsContact C-N 3.27Å; N299-A301 PolarHBondContact O-N 3.09Å; N299-A302 PolarHBondContact O-N 3Å; N299-A302 VanDerWaalsContact O-N 3.13Å; N299-V303 WeakPolarHBondContact O-CG2 3.39Å; N299-V303 PolarHBondContact O-N 3.11Å; N299-V303 VanDerWaalsContact O-N 3.08Å |
| 300 | A | 74 | Confident | 71.5 | Confident | 53 Ų | 53 | 91.4 Ų | 91.4 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | E296 | E296-A300 WeakPolarHBondContact O-CB 3.4Å; E296-A300 PolarHBondContact O-N 2.95Å |
| 301 | A | 67.8 | Low | 70.9 | Confident | 62 Ų | 62 | 93.8 Ų | 93.8 | 51% | 0.512 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.3 | -34.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K297 M298 N299 | K297-A301 WeakPolarHBondContact O-CB 3.29Å; K297-A301 PolarHBondContact O-N 2.79Å; M298-A301 PolarHBondContact O-N 3.14Å; N299-A301 VanDerWaalsContact C-N 3.27Å; N299-A301 PolarHBondContact O-N 3.09Å |
| 302 | A | 60.6 | Low | 70 | Confident | 64 Ų | 64 | 99 Ų | 99 | 53% | 0.529 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72.9 | -29.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | M298 N299 Q304 | M298-A302 PolarHBondContact O-N 3.33Å; N299-A302 PolarHBondContact O-N 3Å; N299-A302 VanDerWaalsContact O-N 3.13Å; A302-Q304 VanDerWaalsContact C-N 3.27Å; A302-Q304 PolarHBondContact O-N 3.4Å |
| 303 | V | 57.7 | Low | 69.3 | Low | 113 Ų | 113 | 103.5 Ų | 103.5 | 69% | 0.685 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -11.7 | 179.7 | 175.8 | 0 | 0 | 0 | 0 | 112.8 | N299 | N299-V303 WeakPolarHBondContact O-CG2 3.39Å; N299-V303 PolarHBondContact O-N 3.11Å; N299-V303 VanDerWaalsContact O-N 3.08Å |
| 304 | Q | 48.6 | Very low | 68.4 | Low | 170 Ų | 170 | 103.9 Ų | 103.9 | 79% | 0.794 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 9.2 | -177.2 | -66.9 | -176.5 | 13.7 | 0 | 0 | 114.5 | A302 | A302-Q304 VanDerWaalsContact C-N 3.27Å; A302-Q304 PolarHBondContact O-N 3.4Å |
| 305 | T | 42.1 | Very low | 67.1 | Low | 184 Ų | 184 | 104.9 Ų | 104.9 | 100% | 1.129 | 59% | 0.587 | S | S | * | * | trans | -119.5 | 0 | 174.7 | -49.4 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 305 of 305 residues in 415 ms
(Link to these results)