A0A077ZDA8_TRITR Loading...

ABC tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDA8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 aa.

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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
1M43.1Very low78Confident243 Ų243126.5 Ų126.5100%1.19767%0.672SS**  0116.20-78-179.9-108.400105.8E3M1-E3 PolarHBondContact O-N 3.45Å
2G51.1Low79.4Confident73 Ų73119.2 Ų119.275%0.75363%0.632SS**  trans-71.5127.1-170.200000111.5T4G2-T4 PolarHBondContact O-N 2.97Å
3E71.3Confident80.6Confident192 Ų192119.5 Ų119.590%0.89763%0.634SS**  trans-62.3104169.4-69.8177.8166.300108.1M1 I5M1-E3 PolarHBondContact O-N 3.45Å; E3-I5 PolarHBondContact O-N 3.45Å
4T79.3Confident81.7Confident123 Ų123114.5 Ų114.576%0.75560%0.604SS**  trans-84.1111.3173.1-580000107.2G2 I6G2-T4 PolarHBondContact O-N 2.97Å; T4-I6 PolarHBondContact O-N 3.27Å
5I83Confident82.7Confident150 Ų150110.9 Ų110.977%0.76959%0.592SS**  trans-72116174.2-59.7174.4000107.9E3E3-I5 PolarHBondContact O-N 3.45Å
6I84.7Confident83.7Confident151 Ų151106.6 Ų106.677%0.77457%0.568SS**  trans-96116.1174.7-59.7175.6000107.7T4 A8T4-I6 PolarHBondContact O-N 3.27Å; I6-A8 PolarHBondContact O-N 3.34Å
7K87.6Confident84.5Confident128 Ų128107.1 Ų107.156%0.55757%0.567SS**  trans-82.9112.5176.4-66.2177.8176.2174.70109.6E10K7-E10 HydrophobicContact CD-CB 4.42Å; K7-E10 HydrophobicContact CD-CG 4.37Å; K7-E10 IonicContact NZ-OE1 2.68Å; K7-E10 PolarHBondContact NZ-OE1 3.39Å
8A86.3Confident85.1Confident46 Ų46111.1 Ų111.138%0.3858%0.579SS.*SBendtrans-76-37.1174.500000112I6 T34 A200I6-A8 PolarHBondContact O-N 3.34Å; A8-T34 HydrophobicContact CB-CG2 4.04Å; A8-A200 WeakPolarHBondContact O-CB 3.48Å
9N88.8Confident85.7Confident42 Ų42106.2 Ų106.223%0.22556%0.558CS.*  trans-138130.6177.2-64.1148.2000109.1I12 G31 T34 A200N9-I12 HydrophobicContact CB-CG1 3.71Å; N9-G31 PolarHBondContact ND2-O 2.83Å; N9-G31 VanDerWaalsContact ND2-O 3.09Å; N9-T34 WeakPolarHBondContact OD1-CB 3.48Å; N9-T34 VanDerWaalsContact OD1-CG2 3.25Å; N9-T34 WeakPolarHBondContact OD1-CG2 3.45Å; N9-A200 CarbonylContact C-O 3.53Å
10E91.7Very high86.3Confident61 Ų61102 Ų10229%0.28554%0.535SS..SBendtrans-127109.3179.3-177.5170.8-133.800109.4K7 I12 A200 Q201K7-E10 HydrophobicContact CD-CB 4.42Å; K7-E10 HydrophobicContact CD-CG 4.37Å; K7-E10 IonicContact NZ-OE1 2.68Å; K7-E10 PolarHBondContact NZ-OE1 3.39Å; E10-I12 PolarHBondContact O-N 3.21Å; E10-I12 VanDerWaalsContact O-N 3.13Å; E10-A200 HydrophobicContact CB-CB 4.47Å; E10-A200 PolarHBondContact N-O 3.08Å; E10-Q201 HydrophobicContact CB-CG 4.17Å; E10-Q201 WeakPolarHBondContact O-CG 3.43Å; E10-Q201 PolarHBondContact OE2-NE2 3.27Å
11K91.2Very high86.9Confident183 Ų18397.1 Ų97.180%0.79651%0.51SS*.SBendtrans50.440.4178-58.3179.8178.3178.30113.1N13K11-N13 PolarHBondContact O-N 3.29Å; K11-N13 PolarHBondContact O-ND2 3.08Å
12I94.4Very high89.5Confident38 Ų3885.6 Ų85.620%0.19545%0.453CS..  trans-60.6122.9170.8-66.2-66.5000108.3N9 E10 F14 V35 I197 A200 V202N9-I12 HydrophobicContact CB-CG1 3.71Å; E10-I12 PolarHBondContact O-N 3.21Å; E10-I12 VanDerWaalsContact O-N 3.13Å; I12-F14 HydrophobicContact CG2-CD1 3.65Å; I12-F14 HydrophobicContact CG2-CE1 3.5Å; I12-F14 VanDerWaalsContact CG2-CE1 3.5Å; I12-V35 HydrophobicContact CG1-CG2 4.38Å; I12-V35 HydrophobicContact CG2-CG2 4.22Å; I12-I197 HydrophobicContact CD1-CD1 4.18Å; I12-I197 HydrophobicContact CD1-CG1 4.47Å; I12-I197 HydrophobicContact CD1-CG2 4.22Å; I12-A200 WeakPolarHBondContact CD1-O 3.26Å; I12-V202 HydrophobicContact CB-CG2 4.48Å; I12-V202 HydrophobicContact CD1-CG2 3.8Å; I12-V202 HydrophobicContact CG2-CG2 3.93Å
13N95.2Very high91.8Very high123 Ų12382.1 Ų82.166%0.65842%0.417SS*.  trans-138.4125.4175.7-69.1-84000108.1K11K11-N13 PolarHBondContact O-N 3.29Å; K11-N13 PolarHBondContact O-ND2 3.08Å
14F96.9Very high93Very high50 Ų5073 Ų7322%0.21937%0.374CS..  trans-162.1167.3171.661.1-94.9000108.5I12 I16 I24 V35 L39 I195 V202I12-F14 HydrophobicContact CG2-CD1 3.65Å; I12-F14 HydrophobicContact CG2-CE1 3.5Å; I12-F14 VanDerWaalsContact CG2-CE1 3.5Å; F14-I16 HydrophobicContact CD2-CD1 4.09Å; F14-I16 HydrophobicContact CD2-CG1 3.97Å; F14-I16 HydrophobicContact CE2-CD1 3.66Å; F14-I16 HydrophobicContact CE2-CG1 4.04Å; F14-I24 HydrophobicContact CZ-CD1 4.24Å; F14-V35 HydrophobicContact CE1-CG1 3.76Å; F14-V35 HydrophobicContact CZ-CG1 3.68Å; F14-L39 HydrophobicContact CE2-CD1 4.41Å; F14-L39 HydrophobicContact CZ-CD1 4.05Å; F14-L39 HydrophobicContact CZ-CD2 4.5Å; F14-I195 HydrophobicContact CB-CD1 3.93Å; F14-I195 HydrophobicContact CB-CG1 4.25Å; F14-I195 HydrophobicContact CB-CG2 4.38Å; F14-I195 HydrophobicContact CD1-CD1 4.43Å; F14-I195 HydrophobicContact CD1-CG2 4.34Å; F14-I195 HydrophobicContact CD2-CD1 3.45Å; F14-I195 VanDerWaalsContact CD2-CD1 3.45Å; F14-I195 HydrophobicContact CE2-CD1 4.03Å; F14-I195 HydrophobicContact CG-CD1 3.69Å; F14-I195 HydrophobicContact CG-CG1 4.44Å; F14-I195 HydrophobicContact CG-CG2 4.4Å; F14-V202 HydrophobicContact CD1-CG2 4.13Å
15S96.8Very high93.9Very high60 Ų6067.4 Ų67.442%0.4234%0.34SS..  trans-128.7149.9172.447.30000109.8R193S15-R193 WeakPolarHBondContact O-CD 3.46Å; S15-R193 PolarHBondContact O-NE 2.94Å
16I97.7Very high94.5Very high42 Ų4260.9 Ų60.922%0.21531%0.31CS..  trans-132.4126.9173.7-60.5168.7000106.5F14 E20 A22 T177 V179 I195F14-I16 HydrophobicContact CD2-CD1 4.09Å; F14-I16 HydrophobicContact CD2-CG1 3.97Å; F14-I16 HydrophobicContact CE2-CD1 3.66Å; F14-I16 HydrophobicContact CE2-CG1 4.04Å; I16-E20 HydrophobicContact CG2-CB 4.07Å; I16-A22 HydrophobicContact CB-CB 4.44Å; I16-A22 HydrophobicContact CD1-CB 3.6Å; I16-A22 HydrophobicContact CG1-CB 3.8Å; I16-A22 HydrophobicContact CG2-CB 3.77Å; I16-T177 HydrophobicContact CG2-CG2 3.49Å; I16-T177 VanDerWaalsContact CG2-CG2 3.49Å; I16-V179 HydrophobicContact CD1-CG1 4.16Å; I16-V179 HydrophobicContact CD1-CG2 3.71Å; I16-I195 HydrophobicContact CD1-CD1 4.2Å; I16-I195 HydrophobicContact CG1-CD1 4.09Å
17E96.9Very high94.9Very high116 Ų11656.9 Ų56.954%0.54229%0.293SS..  trans-82160.4-179.1-63.2-64.2153.500111.7G19 E20 T177E17-G19 PolarHBondContact O-N 2.64Å; E17-E20 HydrophobicContact CB-CG 3.91Å; E17-E20 WeakPolarHBondContact CB-OE1 2.94Å; E17-E20 PolarHBondContact N-OE2 3.19Å; E17-E20 WeakPolarHBondContact O-CB 3.4Å; E17-E20 PolarHBondContact O-N 3.32Å; E17-T177 PolarHBondContact O-OG1 2.66Å
18K96.6Very high95Very high179 Ų17955.9 Ų55.978%0.77830%0.303SS*.THydrogen-bonded Turntrans-62.6129.6178.8-175.5178.8176.1179.50110.7E20 T177K18-E20 VanDerWaalsContact C-N 3.31Å; K18-T177 WeakPolarHBondContact CA-OG1 3.44Å
19G96.4Very high95.1Very high18 Ų1857.8 Ų57.819%0.18633%0.326CS..THydrogen-bonded Turntrans81.33178.400000115.1E17 T177E17-G19 PolarHBondContact O-N 2.64Å; G19-T177 PolarHBondContact N-OG1 2.69Å
20E97.6Very high95.3Very high22 Ų2256 Ų5610%0.10332%0.318CS..  trans-73148.3172-72.7-176.3169.300111.6I16 E17 K18 V178 D192 R193I16-E20 HydrophobicContact CG2-CB 4.07Å; E17-E20 HydrophobicContact CB-CG 3.91Å; E17-E20 WeakPolarHBondContact CB-OE1 2.94Å; E17-E20 PolarHBondContact N-OE2 3.19Å; E17-E20 WeakPolarHBondContact O-CB 3.4Å; E17-E20 PolarHBondContact O-N 3.32Å; K18-E20 VanDerWaalsContact C-N 3.31Å; E20-V178 PolarHBondContact O-N 3.45Å; E20-D192 HydrophobicContact CB-CB 3.97Å; E20-D192 HydrophobicContact CG-CB 3.84Å; E20-R193 IonicContact OE1-CZ 3.99Å; E20-R193 IonicContact OE1-NE 3.06Å; E20-R193 IonicContact OE1-NH2 2.86Å; E20-R193 PolarHBondContact OE1-NH2 3.41Å; E20-R193 IonicContact OE2-CZ 3.5Å; E20-R193 IonicContact OE2-NE 3.94Å; E20-R193 PolarHBondContact OE2-NE 3.37Å; E20-R193 IonicContact OE2-NH2 3.4Å; E20-R193 PolarHBondContact OE2-NH2 3.09Å
21V98.4Very high95.4Very high0 Ų053.5 Ų53.50%031%0.308CS..EExtended strand (participates in β ladder)trans-91.6105.3154.9-1780000107.3A171 V178 I180 M190 A191 D192 R193V21-A171 HydrophobicContact CG2-CB 3.44Å; V21-A171 VanDerWaalsContact CG2-CB 3.44Å; V21-V178 CarbonylContact C-O 3.49Å; V21-V178 WeakPolarHBondContact CA-O 3.37Å; V21-V178 HydrophobicContact CG2-CB 4.45Å; V21-I180 HydrophobicContact CG1-CD1 4.32Å; V21-M190 HydrophobicContact CG1-CE 4.48Å; V21-A191 CarbonylContact O-C 3.47Å; V21-A191 WeakPolarHBondContact O-CA 3.39Å; V21-A191 WeakPolarHBondContact O-CB 3.32Å; V21-D192 PolarHBondContact N-OD2 3.46Å; V21-D192 PolarHBondContact O-N 3.09Å; V21-R193 PolarHBondContact O-N 3.12Å
22A98.4Very high95.5Very high0 Ų045.3 Ų45.30%027%0.272CS..EExtended strand (participates in β ladder)trans-100131.8174.600000110.7I16 V178 V179 I180 R193I16-A22 HydrophobicContact CB-CB 4.44Å; I16-A22 HydrophobicContact CD1-CB 3.6Å; I16-A22 HydrophobicContact CG1-CB 3.8Å; I16-A22 HydrophobicContact CG2-CB 3.77Å; A22-V178 PolarHBondContact N-O 3.36Å; A22-V179 CarbonylContact O-C 3.56Å; A22-V179 WeakPolarHBondContact O-CA 3.18Å; A22-I180 PolarHBondContact O-N 3.15Å; A22-R193 CarbonylContact C-O 3.57Å; A22-R193 WeakPolarHBondContact CA-O 3.42Å; A22-R193 HydrophobicContact CB-CB 4.34Å
23V98.2Very high95.5Very high0 Ų045.8 Ų45.80%028%0.279CS..EExtended strand (participates in β ladder)trans-112.3119.6174.7179.90000109.8L25 I180 T182 I187 A191 R193 V194 I195V23-L25 HydrophobicContact CG1-CD2 3.62Å; V23-L25 HydrophobicContact CG1-CG 3.86Å; V23-I180 CarbonylContact C-O 3.53Å; V23-I180 VanDerWaalsContact CA-O 3.3Å; V23-I180 WeakPolarHBondContact CA-O 3.2Å; V23-I180 HydrophobicContact CG2-CB 4.31Å; V23-T182 HydrophobicContact CG1-CG2 3.96Å; V23-I187 HydrophobicContact CG1-CD1 4.13Å; V23-I187 HydrophobicContact CG1-CG1 4.13Å; V23-I187 HydrophobicContact CG2-CD1 4.22Å; V23-I187 HydrophobicContact CG2-CG1 4.38Å; V23-A191 HydrophobicContact CB-CB 3.99Å; V23-A191 HydrophobicContact CG2-CB 3.52Å; V23-R193 PolarHBondContact N-O 2.77Å; V23-V194 WeakPolarHBondContact O-CA 3.43Å; V23-I195 PolarHBondContact O-N 3.3Å
24I97.8Very high95.5Very high0 Ų041.9 Ų41.90%026%0.26CS..EExtended strand (participates in β ladder)trans-95.7106.7173.6-54.1-178.2000108.8F14 K32 V35 V179 I180 I181 T182 I195 I197F14-I24 HydrophobicContact CZ-CD1 4.24Å; I24-K32 HydrophobicContact CG2-CG 4.39Å; I24-V35 HydrophobicContact CD1-CG1 4Å; I24-V179 HydrophobicContact CD1-CG1 3.8Å; I24-V179 HydrophobicContact CG1-CG1 4.09Å; I24-I180 PolarHBondContact N-O 2.81Å; I24-I181 HydrophobicContact CB-CB 4.44Å; I24-I181 HydrophobicContact CB-CG2 3.66Å; I24-I181 HydrophobicContact CD1-CG2 3.95Å; I24-I181 HydrophobicContact CG1-CG2 4.17Å; I24-I181 HydrophobicContact CG2-CG2 4.18Å; I24-I181 WeakPolarHBondContact O-CA 3.26Å; I24-T182 PolarHBondContact O-N 2.98Å; I24-I195 CarbonylContact C-O 3.59Å; I24-I195 VanDerWaalsContact CA-O 3.27Å; I24-I195 WeakPolarHBondContact CA-O 3.01Å; I24-I195 HydrophobicContact CG1-CB 4.27Å; I24-I195 HydrophobicContact CG1-CD1 4.21Å; I24-I197 HydrophobicContact CG2-CD1 3.42Å; I24-I197 VanDerWaalsContact CG2-CD1 3.42Å; I24-I197 HydrophobicContact CG2-CG1 3.79Å
25L97.1Very high95.4Very high7 Ų739.9 Ų39.94%0.03725%0.251CS..EExtended strand (participates in β ladder)trans-96.4141.7-178.6-66.1177.9000112.2V23 T182 A188 V194 I195 R196 I197V23-L25 HydrophobicContact CG1-CD2 3.62Å; V23-L25 HydrophobicContact CG1-CG 3.86Å; L25-T182 WeakPolarHBondContact CA-O 3.42Å; L25-T182 HydrophobicContact CD2-CG2 3.52Å; L25-A188 HydrophobicContact CD1-CB 4.03Å; L25-V194 HydrophobicContact CD1-CG1 3.63Å; L25-V194 HydrophobicContact CG-CG1 4.2Å; L25-I195 PolarHBondContact N-O 3.07Å; L25-R196 HydrophobicContact CB-CG 4.47Å; L25-R196 CarbonylContact O-C 3.42Å; L25-R196 WeakPolarHBondContact O-CA 3.26Å; L25-I197 PolarHBondContact O-N 3.31Å
26G95.4Very high95.4Very high13 Ų1337 Ų3713%0.13423%0.231CC..  trans173.2162.617200000112.9K32 T182 H183 I197G26-K32 WeakPolarHBondContact O-CE 3.18Å; G26-K32 PolarHBondContact O-NZ 2.85Å; G26-T182 PolarHBondContact N-O 3.2Å; G26-H183 WeakPolarHBondContact O-CB 3.33Å; G26-I197 VanDerWaalsContact CA-O 3.26Å; G26-I197 WeakPolarHBondContact CA-O 3.08Å
27P92.8Very high95.3Very high67 Ų6737.1 Ų37.144%0.43523%0.232SC..  trans-64.8165.7177.627.3-32.8000112G29 A30 K32P27-G29 PolarHBondContact O-N 3.13Å; P27-A30 HydrophobicContact CG-CB 4.07Å; P27-A30 VanDerWaalsContact O-CB 3.23Å; P27-A30 WeakPolarHBondContact O-CB 2.98Å; P27-A30 PolarHBondContact O-N 2.99Å; P27-K32 PolarHBondContact O-NZ 3.31Å
28S89.8Confident95.3Very high107 Ų10732.7 Ų32.775%0.74821%0.212SC*.THydrogen-bonded Turntrans-57.2135.8169.8-61.60000110.2A30S28-A30 VanDerWaalsContact C-N 3.33Å; S28-A30 PolarHBondContact O-N 2.88Å
29G90.1Very high95.2Very high85 Ų8525.3 Ų25.388%0.87618%0.181SC*.THydrogen-bonded Turntrans81.60.1-176.900000115.7P27 G31P27-G29 PolarHBondContact O-N 3.13Å; G29-G31 PolarHBondContact O-N 3.38Å; G29-G31 VanDerWaalsContact O-N 3.12Å
30A92.3Very high95.3Very high5 Ų524.5 Ų24.54%0.04117%0.173CC..SBendtrans-69-5.2178.100000115.1P27 S28 K32 I197P27-A30 HydrophobicContact CG-CB 4.07Å; P27-A30 VanDerWaalsContact O-CB 3.23Å; P27-A30 WeakPolarHBondContact O-CB 2.98Å; P27-A30 PolarHBondContact O-N 2.99Å; S28-A30 VanDerWaalsContact C-N 3.33Å; S28-A30 PolarHBondContact O-N 2.88Å; A30-K32 HydrophobicContact CB-CG 4.48Å; A30-I197 HydrophobicContact CB-CG2 4.22Å; A30-I197 WeakPolarHBondContact O-CG2 3.29Å
31G93.1Very high95.2Very high8 Ų823.5 Ų23.58%0.08217%0.169CC..SBendtrans93.611.9-178.300000115.4N9 G29 T34 V35N9-G31 PolarHBondContact ND2-O 2.83Å; N9-G31 VanDerWaalsContact ND2-O 3.09Å; G29-G31 PolarHBondContact O-N 3.38Å; G29-G31 VanDerWaalsContact O-N 3.12Å; G31-T34 WeakPolarHBondContact O-CB 3.49Å; G31-T34 PolarHBondContact O-N 2.85Å; G31-V35 PolarHBondContact O-N 3.28Å
32K94.8Very high95Very high12 Ų1227.3 Ų27.35%0.05219%0.187CC..Hα-helixtrans-59.2-51-178.7-55.7-171.4-58.4-75.70113.3I24 G26 P27 A30 T34 V35 L36 I181I24-K32 HydrophobicContact CG2-CG 4.39Å; G26-K32 WeakPolarHBondContact O-CE 3.18Å; G26-K32 PolarHBondContact O-NZ 2.85Å; P27-K32 PolarHBondContact O-NZ 3.31Å; A30-K32 HydrophobicContact CB-CG 4.48Å; K32-T34 VanDerWaalsContact C-N 3.26Å; K32-T34 PolarHBondContact O-N 3.4Å; K32-V35 WeakPolarHBondContact O-CB 3.44Å; K32-V35 PolarHBondContact O-N 2.8Å; K32-V35 VanDerWaalsContact O-N 3.13Å; K32-L36 PolarHBondContact O-N 3.4Å; K32-I181 HydrophobicContact CB-CB 4Å; K32-I181 HydrophobicContact CB-CD1 3.9Å; K32-I181 HydrophobicContact CB-CG2 4.11Å; K32-I181 HydrophobicContact CD-CB 4.42Å
33S93.8Very high94.8Very high48 Ų4831.2 Ų31.234%0.33621%0.208SC..Hα-helixtrans-64.7-32.7179.8-500000111.6L36 N37 D149S33-L36 PolarHBondContact O-N 3.06Å; S33-N37 WeakPolarHBondContact O-CB 3.41Å; S33-N37 PolarHBondContact O-N 3.28Å; S33-N37 PolarHBondContact O-ND2 2.94Å; S33-N37 PolarHBondContact O-OD1 3.28Å; S33-D149 PolarHBondContact OG-OD2 2.86Å
34T94.4Very high94.5Very high41 Ų4134.8 Ų34.825%0.25223%0.233SC..Hα-helixtrans-62.1-46.9171.6-49.90000111.2A8 N9 G31 K32 L36 N37 I38A8-T34 HydrophobicContact CB-CG2 4.04Å; N9-T34 WeakPolarHBondContact OD1-CB 3.48Å; N9-T34 VanDerWaalsContact OD1-CG2 3.25Å; N9-T34 WeakPolarHBondContact OD1-CG2 3.45Å; G31-T34 WeakPolarHBondContact O-CB 3.49Å; G31-T34 PolarHBondContact O-N 2.85Å; K32-T34 VanDerWaalsContact C-N 3.26Å; K32-T34 PolarHBondContact O-N 3.4Å; T34-L36 VanDerWaalsContact C-N 3.34Å; T34-L36 PolarHBondContact O-N 3.13Å; T34-N37 PolarHBondContact O-N 2.76Å; T34-I38 HydrophobicContact CG2-CD1 3.93Å; T34-I38 WeakPolarHBondContact O-CB 3.39Å; T34-I38 VanDerWaalsContact O-CG1 3.31Å; T34-I38 WeakPolarHBondContact O-CG1 3.28Å; T34-I38 PolarHBondContact O-N 3.12Å
35V95.6Very high94.2Very high7 Ų736.4 Ų36.44%0.04224%0.244CC..Hα-helixtrans-58.1-46.3174.2171.70000111.1I12 F14 I24 G31 K32 N37 I38 L39 I197I12-V35 HydrophobicContact CG1-CG2 4.38Å; I12-V35 HydrophobicContact CG2-CG2 4.22Å; F14-V35 HydrophobicContact CE1-CG1 3.76Å; F14-V35 HydrophobicContact CZ-CG1 3.68Å; I24-V35 HydrophobicContact CD1-CG1 4Å; G31-V35 PolarHBondContact O-N 3.28Å; K32-V35 WeakPolarHBondContact O-CB 3.44Å; K32-V35 PolarHBondContact O-N 2.8Å; K32-V35 VanDerWaalsContact O-N 3.13Å; V35-N37 VanDerWaalsContact C-N 3.35Å; V35-N37 PolarHBondContact O-N 3.18Å; V35-I38 PolarHBondContact O-N 3.32Å; V35-L39 HydrophobicContact CG1-CD1 4.06Å; V35-L39 HydrophobicContact CG1-CG 4.36Å; V35-L39 WeakPolarHBondContact O-CB 3.48Å; V35-L39 WeakPolarHBondContact O-CG 3.41Å; V35-L39 PolarHBondContact O-N 2.82Å; V35-I197 HydrophobicContact CG2-CD1 3.98Å
36L96.1Very high94Very high0 Ų044.1 Ų44.10%029%0.285CS..Hα-helixtrans-60.8-43.2178.9-160.983.6000111.9K32 S33 T34 L39 G40 F75 L147 D149 V179 I181K32-L36 PolarHBondContact O-N 3.4Å; S33-L36 PolarHBondContact O-N 3.06Å; T34-L36 VanDerWaalsContact C-N 3.34Å; T34-L36 PolarHBondContact O-N 3.13Å; L36-L39 PolarHBondContact O-N 3.11Å; L36-G40 PolarHBondContact O-N 3.4Å; L36-F75 HydrophobicContact CD2-CE1 4.45Å; L36-L147 HydrophobicContact CD1-CB 3.85Å; L36-L147 HydrophobicContact CD1-CD2 3.9Å; L36-L147 HydrophobicContact CD1-CG 4.35Å; L36-L147 HydrophobicContact CD2-CB 4.32Å; L36-L147 HydrophobicContact CG-CB 4Å; L36-D149 HydrophobicContact CD2-CB 3.71Å; L36-V179 HydrophobicContact CD1-CG1 4.33Å; L36-I181 HydrophobicContact CB-CD1 4.01Å; L36-I181 HydrophobicContact CB-CG2 4.39Å; L36-I181 HydrophobicContact CD1-CG1 4.35Å; L36-I181 HydrophobicContact CD1-CG2 3.93Å; L36-I181 HydrophobicContact CD2-CD1 4.04Å; L36-I181 HydrophobicContact CD2-CG1 4.18Å; L36-I181 HydrophobicContact CG-CD1 4.46Å
37N95.6Very high94Very high44 Ų4452 Ų5224%0.23532%0.319CS..Hα-helixtrans-67.8-40.1-180-69.1-11.2000112.4S33 T34 V35 G40 G41 M42 D43S33-N37 WeakPolarHBondContact O-CB 3.41Å; S33-N37 PolarHBondContact O-N 3.28Å; S33-N37 PolarHBondContact O-ND2 2.94Å; S33-N37 PolarHBondContact O-OD1 3.28Å; T34-N37 PolarHBondContact O-N 2.76Å; V35-N37 VanDerWaalsContact C-N 3.35Å; V35-N37 PolarHBondContact O-N 3.18Å; N37-G40 PolarHBondContact O-N 3.5Å; N37-G41 PolarHBondContact O-N 3.34Å; N37-G41 VanDerWaalsContact O-N 3.08Å; N37-M42 HydrophobicContact CB-CB 4.31Å; N37-M42 HydrophobicContact CB-CE 4.23Å; N37-M42 PolarHBondContact O-N 2.95Å; N37-M42 WeakPolarHBondContact OD1-CE 3.36Å; N37-D43 HydrophobicContact CB-CB 4Å; N37-D43 PolarHBondContact O-N 3.3Å
38I96.2Very high94Very high23 Ų2351.8 Ų51.812%0.11833%0.328CS..Hα-helixtrans-63.8-46.7174.1-70.6170.4000110.2T34 V35 G40 G41 D43 C45 V50T34-I38 HydrophobicContact CG2-CD1 3.93Å; T34-I38 WeakPolarHBondContact O-CB 3.39Å; T34-I38 VanDerWaalsContact O-CG1 3.31Å; T34-I38 WeakPolarHBondContact O-CG1 3.28Å; T34-I38 PolarHBondContact O-N 3.12Å; V35-I38 PolarHBondContact O-N 3.32Å; I38-G40 VanDerWaalsContact C-N 3.3Å; I38-G40 PolarHBondContact O-N 3.18Å; I38-G41 PolarHBondContact O-N 2.96Å; I38-G41 VanDerWaalsContact O-N 3.09Å; I38-D43 HydrophobicContact CG1-CB 4.15Å; I38-C45 HydrophobicContact CD1-CB 4.3Å; I38-C45 HydrophobicContact CG2-CB 4.39Å; I38-V50 HydrophobicContact CG2-CG2 3.51Å
39L96.4Very high94.3Very high25 Ų2554.6 Ų54.613%0.13133%0.327CS..Hα-helixtrans-57.9-41.7177.3-78.6175.6000112.1F14 V35 L36 G41 V50 I57 Y68 L147F14-L39 HydrophobicContact CE2-CD1 4.41Å; F14-L39 HydrophobicContact CZ-CD1 4.05Å; F14-L39 HydrophobicContact CZ-CD2 4.5Å; V35-L39 HydrophobicContact CG1-CD1 4.06Å; V35-L39 HydrophobicContact CG1-CG 4.36Å; V35-L39 WeakPolarHBondContact O-CB 3.48Å; V35-L39 WeakPolarHBondContact O-CG 3.41Å; V35-L39 PolarHBondContact O-N 2.82Å; L36-L39 PolarHBondContact O-N 3.11Å; L39-G41 VanDerWaalsContact C-N 3.31Å; L39-V50 HydrophobicContact CD2-CG1 4Å; L39-I57 WeakPolarHBondContact O-CD1 3.47Å; L39-Y68 WeakPolarHBondContact O-CE1 3.45Å; L39-Y68 PolarHBondContact O-OH 3.17Å; L39-L147 HydrophobicContact CB-CD1 4.26Å; L39-L147 HydrophobicContact CB-CD2 4.48Å
40G96.7Very high94.6Very high0 Ų051.4 Ų51.40%029%0.291CS..THydrogen-bonded Turntrans-89.19.4178.700000114.8L36 N37 I38 M42 R69L36-G40 PolarHBondContact O-N 3.4Å; N37-G40 PolarHBondContact O-N 3.5Å; I38-G40 VanDerWaalsContact C-N 3.3Å; I38-G40 PolarHBondContact O-N 3.18Å; G40-M42 VanDerWaalsContact C-N 3.28Å; G40-M42 PolarHBondContact O-N 3.46Å; G40-R69 WeakPolarHBondContact O-CG 3.4Å
41G96.5Very high94.9Very high2 Ų255.6 Ų55.62%0.02132%0.316CS..THydrogen-bonded Turntrans64.428.2175.800000114.4N37 I38 L39 R69N37-G41 PolarHBondContact O-N 3.34Å; N37-G41 VanDerWaalsContact O-N 3.08Å; I38-G41 PolarHBondContact O-N 2.96Å; I38-G41 VanDerWaalsContact O-N 3.09Å; L39-G41 VanDerWaalsContact C-N 3.31Å; G41-R69 PolarHBondContact O-NH1 2.73Å
42M93.8Very high95Very high80 Ų8056.4 Ų56.439%0.39432%0.319SS..SBendtrans-87.7-19.7168.6-64.7-169-55.900112.2N37 G40 F75 F77N37-M42 HydrophobicContact CB-CB 4.31Å; N37-M42 HydrophobicContact CB-CE 4.23Å; N37-M42 PolarHBondContact O-N 2.95Å; N37-M42 WeakPolarHBondContact OD1-CE 3.36Å; G40-M42 VanDerWaalsContact C-N 3.28Å; G40-M42 PolarHBondContact O-N 3.46Å; M42-F75 HydrophobicContact CE-CD1 3.98Å; M42-F75 HydrophobicContact CE-CE1 3.3Å; M42-F75 HydrophobicContact CE-CE2 3.94Å; M42-F75 HydrophobicContact CE-CZ 3.24Å; M42-F75 HydrophobicContact CG-CE2 3.85Å; M42-F75 HydrophobicContact CG-CZ 3.81Å; M42-F75 HydrophobicContact SD-CD2 4.19Å; M42-F75 HydrophobicContact SD-CE1 4.16Å; M42-F75 HydrophobicContact SD-CE2 3.7Å; M42-F75 HydrophobicContact SD-CZ 3.65Å; M42-F77 HydrophobicContact CE-CE1 3.94Å; M42-F77 HydrophobicContact CE-CZ 4.08Å; M42-F77 HydrophobicContact SD-CE1 4.45Å; M42-F77 HydrophobicContact SD-CZ 4.03Å
43D94Very high95Very high81 Ų8161.2 Ų61.243%0.43335%0.345SS..SBendtrans-136.7166.2175.2-155-10.8000108.8N37 I38N37-D43 HydrophobicContact CB-CB 4Å; N37-D43 PolarHBondContact O-N 3.3Å; I38-D43 HydrophobicContact CG1-CB 4.15Å
44S91.4Very high95Very high75 Ų7562.4 Ų62.452%0.52437%0.365SS..  trans-119.4147.5176.161.60000111.3
45C92.9Very high95.1Very high34 Ų3463.8 Ų63.823%0.2337%0.374CS..  trans-75.6139.9170.759.40000110.7I38 E47I38-C45 HydrophobicContact CD1-CB 4.3Å; I38-C45 HydrophobicContact CG2-CB 4.39Å; C45-E47 VanDerWaalsContact C-N 3.26Å; C45-E47 PolarHBondContact O-N 2.8Å
46D92.9Very high95.2Very high170 Ų17065.6 Ų65.691%0.90938%0.383SS*.SBendtrans-62.4-37.2172.8-61.4-54000111.7
47E93.8Very high95.2Very high178 Ų17865.9 Ų65.983%0.83239%0.385SS*.SBendtrans-143.3151.2179.1-64.8-178-171.600110.6C45C45-E47 VanDerWaalsContact C-N 3.26Å; C45-E47 PolarHBondContact O-N 2.8Å
48G94.5Very high95.2Very high62 Ų6265.6 Ų65.664%0.63939%0.388SS*.SBendtrans110.2-160174.500000113.7
49K95.8Very high95.2Very high167 Ų16768.1 Ų68.173%0.72641%0.412SS*.  trans-139.3147180-62.2-176-177.2177.70109.1V51K49-V51 HydrophobicContact CB-CG2 4.38Å
50V97Very high95.2Very high18 Ų1869.4 Ų69.411%0.10942%0.417CS..  trans-127.4103.2174.2-174.40000106.2I38 L39 V52 N56 I57 A58I38-V50 HydrophobicContact CG2-CG2 3.51Å; L39-V50 HydrophobicContact CD2-CG1 4Å; V50-V52 HydrophobicContact CG1-CG2 4.48Å; V50-N56 PolarHBondContact N-OD1 2.86Å; V50-N56 CarbonylContact O-C 3.59Å; V50-N56 VanDerWaalsContact O-CA 3.28Å; V50-N56 WeakPolarHBondContact O-CA 3.48Å; V50-N56 PolarHBondContact O-OD1 3.48Å; V50-I57 HydrophobicContact CB-CD1 4.28Å; V50-I57 HydrophobicContact CB-CG1 3.7Å; V50-I57 HydrophobicContact CG1-CD1 3.7Å; V50-I57 HydrophobicContact CG1-CG1 3.62Å; V50-I57 WeakPolarHBondContact O-CG1 3.39Å; V50-I57 PolarHBondContact O-N 2.99Å; V50-A58 HydrophobicContact CB-CB 4.33Å; V50-A58 HydrophobicContact CG2-CB 4.2Å
51V97.1Very high95.2Very high93 Ų9372.2 Ų72.256%0.56444%0.437SS*.EExtended strand (participates in β ladder)trans-103.1115.7-173.1-175.70000109.3K49 T55 N56K49-V51 HydrophobicContact CB-CG2 4.38Å; V51-T55 CarbonylContact C-O 3.58Å; V51-T55 WeakPolarHBondContact CA-O 3.28Å; V51-N56 HydrophobicContact CG2-CB 4.41Å
52V96.2Very high95.2Very high25 Ų2578.5 Ų78.515%0.15247%0.47CS..EExtended strand (participates in β ladder)trans-119.8123177.4-177.10000108.1V50 G54 T55 I57 Y68V50-V52 HydrophobicContact CG1-CG2 4.48Å; V52-G54 PolarHBondContact O-N 3.23Å; V52-T55 PolarHBondContact N-O 3.42Å; V52-T55 PolarHBondContact O-N 3.13Å; V52-I57 HydrophobicContact CB-CG2 4.1Å; V52-I57 HydrophobicContact CG2-CD1 4.05Å; V52-I57 HydrophobicContact CG2-CG1 4.33Å; V52-I57 HydrophobicContact CG2-CG2 4.17Å; V52-Y68 HydrophobicContact CB-CE2 4.28Å; V52-Y68 HydrophobicContact CG1-CE2 3.99Å
53D93.9Very high95.3Very high112 Ų11282.7 Ų82.760%0.59949%0.486SS*.THydrogen-bonded Turntrans50.545.3-179.9-160.827.2000112.3T55 K144D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 2.67Å; D53-K144 HydrophobicContact CB-CD 4.5Å; D53-K144 WeakPolarHBondContact OD2-CE 3.34Å; D53-K144 IonicContact OD2-NZ 3.64Å; D53-K144 PolarHBondContact OD2-NZ 3.45Å
54G94.9Very high95.5Very high74 Ų7483.2 Ų83.276%0.76349%0.486SS*.THydrogen-bonded Turntrans77.3-2.9-178.700000115.9V52V52-G54 PolarHBondContact O-N 3.23Å
55T95.9Very high95.7Very high69 Ų6980.8 Ų80.842%0.42347%0.467SS..EExtended strand (participates in β ladder)trans-110.6130-175.5-52.60000112V51 V52 D53 I57 F60V51-T55 CarbonylContact C-O 3.58Å; V51-T55 WeakPolarHBondContact CA-O 3.28Å; V52-T55 PolarHBondContact N-O 3.42Å; V52-T55 PolarHBondContact O-N 3.13Å; D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 2.67Å; T55-I57 PolarHBondContact O-N 3.11Å; T55-I57 VanDerWaalsContact O-N 3.14Å; T55-F60 HydrophobicContact CG2-CE1 3.42Å; T55-F60 VanDerWaalsContact CG2-CE1 3.42Å; T55-F60 HydrophobicContact CG2-CZ 3.39Å
56N97.3Very high95.9Very high46 Ų4681.7 Ų81.725%0.24647%0.471CS..EExtended strand (participates in β ladder)trans-7994.6177.4-176.924.9000111.3V50 V51 A58 A59V50-N56 PolarHBondContact N-OD1 2.86Å; V50-N56 CarbonylContact O-C 3.59Å; V50-N56 VanDerWaalsContact O-CA 3.28Å; V50-N56 WeakPolarHBondContact O-CA 3.48Å; V50-N56 PolarHBondContact O-OD1 3.48Å; V51-N56 HydrophobicContact CG2-CB 4.41Å; N56-A58 PolarHBondContact O-N 3.38Å; N56-A58 WeakPolarHBondContact OD1-CB 3.15Å; N56-A58 PolarHBondContact OD1-N 2.98Å; N56-A59 PolarHBondContact O-N 3.26Å
57I97.2Very high96Very high6 Ų676.2 Ų76.23%0.03144%0.444CS..G310 helixtrans-67.5-20.5-178.167.7163.9000112.9L39 V50 V52 T55 A59 F60 Y68L39-I57 WeakPolarHBondContact O-CD1 3.47Å; V50-I57 HydrophobicContact CB-CD1 4.28Å; V50-I57 HydrophobicContact CB-CG1 3.7Å; V50-I57 HydrophobicContact CG1-CD1 3.7Å; V50-I57 HydrophobicContact CG1-CG1 3.62Å; V50-I57 WeakPolarHBondContact O-CG1 3.39Å; V50-I57 PolarHBondContact O-N 2.99Å; V52-I57 HydrophobicContact CB-CG2 4.1Å; V52-I57 HydrophobicContact CG2-CD1 4.05Å; V52-I57 HydrophobicContact CG2-CG1 4.33Å; V52-I57 HydrophobicContact CG2-CG2 4.17Å; T55-I57 PolarHBondContact O-N 3.11Å; T55-I57 VanDerWaalsContact O-N 3.14Å; I57-A59 PolarHBondContact O-N 3.5Å; I57-F60 HydrophobicContact CB-CD2 4.01Å; I57-F60 HydrophobicContact CB-CE2 4.09Å; I57-F60 HydrophobicContact CB-CG 4.49Å; I57-F60 HydrophobicContact CG2-CD2 4.14Å; I57-F60 HydrophobicContact CG2-CE2 3.7Å; I57-F60 HydrophobicContact CG2-CZ 4.13Å; I57-F60 VanDerWaalsContact O-CB 3.29Å; I57-F60 WeakPolarHBondContact O-CB 3.43Å; I57-F60 PolarHBondContact O-N 3.35Å; I57-F60 VanDerWaalsContact O-N 3.12Å; I57-Y68 HydrophobicContact CD1-CD1 4.26Å; I57-Y68 HydrophobicContact CD1-CE1 3.52Å; I57-Y68 HydrophobicContact CG2-CD1 4.42Å; I57-Y68 HydrophobicContact CG2-CD2 4.13Å; I57-Y68 HydrophobicContact CG2-CE1 4.31Å; I57-Y68 HydrophobicContact CG2-CE2 4.04Å; I57-Y68 HydrophobicContact CG2-CG 4.34Å
58A95.4Very high96.1Very high38 Ų3868.1 Ų68.131%0.31441%0.406SS..G310 helixtrans-66.2-16.2175.900000113.2V50 N56V50-A58 HydrophobicContact CB-CB 4.33Å; V50-A58 HydrophobicContact CG2-CB 4.2Å; N56-A58 PolarHBondContact O-N 3.38Å; N56-A58 WeakPolarHBondContact OD1-CB 3.15Å; N56-A58 PolarHBondContact OD1-N 2.98Å
59A95.5Very high96.2Very high75 Ų7568.8 Ų68.862%0.6239%0.389SS*.G310 helixtrans-971.7176.800000113.4N56 I57N56-A59 PolarHBondContact O-N 3.26Å; I57-A59 PolarHBondContact O-N 3.5Å
60F96.9Very high96.1Very high52 Ų5265.1 Ų65.123%0.22837%0.371CS..  trans-72.5142.9-179.2-76.6-0.6000112T55 I57 E64 L65 Y68T55-F60 HydrophobicContact CG2-CE1 3.42Å; T55-F60 VanDerWaalsContact CG2-CE1 3.42Å; T55-F60 HydrophobicContact CG2-CZ 3.39Å; I57-F60 HydrophobicContact CB-CD2 4.01Å; I57-F60 HydrophobicContact CB-CE2 4.09Å; I57-F60 HydrophobicContact CB-CG 4.49Å; I57-F60 HydrophobicContact CG2-CD2 4.14Å; I57-F60 HydrophobicContact CG2-CE2 3.7Å; I57-F60 HydrophobicContact CG2-CZ 4.13Å; I57-F60 VanDerWaalsContact O-CB 3.29Å; I57-F60 WeakPolarHBondContact O-CB 3.43Å; I57-F60 PolarHBondContact O-N 3.35Å; I57-F60 VanDerWaalsContact O-N 3.12Å; F60-E64 HydrophobicContact CB-CB 3.62Å; F60-E64 HydrophobicContact CD1-CB 4.11Å; F60-E64 HydrophobicContact CD2-CB 3.86Å; F60-E64 HydrophobicContact CG-CB 3.61Å; F60-L65 HydrophobicContact CB-CD2 3.84Å; F60-L65 HydrophobicContact CB-CG 3.7Å; F60-L65 HydrophobicContact CD2-CD2 4.14Å; F60-L65 HydrophobicContact CG-CD2 4.47Å; F60-Y68 HydrophobicContact CE2-CG 4.3Å
61S96.5Very high96Very high59 Ų5967.6 Ų67.641%0.41338%0.384SS..  trans-69164.9161.862.90000111.7K63 E64 L65S61-K63 PolarHBondContact O-N 3.09Å; S61-K63 VanDerWaalsContact O-N 3.09Å; S61-E64 WeakPolarHBondContact CB-OE2 3.41Å; S61-E64 PolarHBondContact N-OE2 2.76Å; S61-E64 PolarHBondContact O-N 3.24Å; S61-E64 WeakPolarHBondContact OG-CG 3.17Å; S61-E64 PolarHBondContact OG-N 3.06Å; S61-E64 PolarHBondContact OG-OE2 2.83Å; S61-L65 PolarHBondContact O-N 2.88Å
62D95.6Very high95.9Very high135 Ų13564.7 Ų64.772%0.72237%0.365SS*.Hα-helixtrans-53.8-34.6177.1-65.5-23000113.4T66D62-T66 WeakPolarHBondContact O-CB 3.25Å; D62-T66 PolarHBondContact O-N 3.24Å; D62-T66 PolarHBondContact O-OG1 3.32Å
63K96.8Very high95.9Very high168 Ų16863.5 Ų63.573%0.7336%0.358SS*.Hα-helixtrans-71-39.4177.9-173.8-179.7177.5-175.90111.9S61 T66 T67S61-K63 PolarHBondContact O-N 3.09Å; S61-K63 VanDerWaalsContact O-N 3.09Å; K63-T66 PolarHBondContact O-N 3.17Å; K63-T67 PolarHBondContact O-N 3.42Å; K63-T67 VanDerWaalsContact O-N 3.09Å; K63-T67 PolarHBondContact O-OG1 2.72Å
64E97.3Very high96Very high92 Ų9258.2 Ų58.243%0.4333%0.329SS..Hα-helixtrans-69.8-44.1176.1-72.4164132.900110.5F60 S61 T66 T67 Y68F60-E64 HydrophobicContact CB-CB 3.62Å; F60-E64 HydrophobicContact CD1-CB 4.11Å; F60-E64 HydrophobicContact CD2-CB 3.86Å; F60-E64 HydrophobicContact CG-CB 3.61Å; S61-E64 WeakPolarHBondContact CB-OE2 3.41Å; S61-E64 PolarHBondContact N-OE2 2.76Å; S61-E64 PolarHBondContact O-N 3.24Å; S61-E64 WeakPolarHBondContact OG-CG 3.17Å; S61-E64 PolarHBondContact OG-N 3.06Å; S61-E64 PolarHBondContact OG-OE2 2.83Å; E64-T66 VanDerWaalsContact C-N 3.28Å; E64-T66 PolarHBondContact O-N 3.24Å; E64-T67 WeakPolarHBondContact O-CB 3.46Å; E64-T67 PolarHBondContact O-N 3.47Å; E64-Y68 WeakPolarHBondContact O-CB 3.38Å; E64-Y68 PolarHBondContact O-N 3.29Å
65L97.2Very high96.1Very high23 Ų2356 Ų5612%0.1230%0.299CS..Hα-helixtrans-59.5-38.3172.6-70.7173.7000112.1F60 S61 T67 Y68 R69F60-L65 HydrophobicContact CB-CD2 3.84Å; F60-L65 HydrophobicContact CB-CG 3.7Å; F60-L65 HydrophobicContact CD2-CD2 4.14Å; F60-L65 HydrophobicContact CG-CD2 4.47Å; S61-L65 PolarHBondContact O-N 2.88Å; L65-T67 VanDerWaalsContact C-N 3.32Å; L65-T67 PolarHBondContact O-N 3.31Å; L65-Y68 PolarHBondContact O-N 3.13Å; L65-R69 WeakPolarHBondContact O-CB 3.38Å; L65-R69 WeakPolarHBondContact O-CG 3.38Å; L65-R69 PolarHBondContact O-N 3.46Å
66T95.5Very high96Very high54 Ų5452.8 Ų52.833%0.33128%0.279SS..Hα-helixtrans-63.2-39.8174.1-610000111.9D62 K63 E64 R69 R70D62-T66 WeakPolarHBondContact O-CB 3.25Å; D62-T66 PolarHBondContact O-N 3.24Å; D62-T66 PolarHBondContact O-OG1 3.32Å; K63-T66 PolarHBondContact O-N 3.17Å; E64-T66 VanDerWaalsContact C-N 3.28Å; E64-T66 PolarHBondContact O-N 3.24Å; T66-R69 PolarHBondContact OG1-NH2 2.91Å; T66-R70 WeakPolarHBondContact O-CB 3.32Å; T66-R70 PolarHBondContact O-N 3.33Å; T66-R70 VanDerWaalsContact O-N 3.09Å
67T95.3Very high95.7Very high55 Ų5553 Ų5334%0.33728%0.277SS..Hα-helixtrans-70.6-41.3177.9-55.80000111.3K63 E64 L65 R70 N71K63-T67 PolarHBondContact O-N 3.42Å; K63-T67 VanDerWaalsContact O-N 3.09Å; K63-T67 PolarHBondContact O-OG1 2.72Å; E64-T67 WeakPolarHBondContact O-CB 3.46Å; E64-T67 PolarHBondContact O-N 3.47Å; L65-T67 VanDerWaalsContact C-N 3.32Å; L65-T67 PolarHBondContact O-N 3.31Å; T67-R70 WeakPolarHBondContact O-CB 3.46Å; T67-R70 PolarHBondContact O-N 2.89Å; T67-N71 WeakPolarHBondContact CG2-ND2 3.45Å; T67-N71 WeakPolarHBondContact O-CB 3.49Å; T67-N71 PolarHBondContact O-N 2.87Å
68Y96.5Very high95.1Very high7 Ų756 Ų563%0.02729%0.291CS..Hα-helixtrans-58.1-52.6173.7172.5-116.4000111.9L39 V52 I57 F60 E64 L65 R70 N71 D72 V73L39-Y68 WeakPolarHBondContact O-CE1 3.45Å; L39-Y68 PolarHBondContact O-OH 3.17Å; V52-Y68 HydrophobicContact CB-CE2 4.28Å; V52-Y68 HydrophobicContact CG1-CE2 3.99Å; I57-Y68 HydrophobicContact CD1-CD1 4.26Å; I57-Y68 HydrophobicContact CD1-CE1 3.52Å; I57-Y68 HydrophobicContact CG2-CD1 4.42Å; I57-Y68 HydrophobicContact CG2-CD2 4.13Å; I57-Y68 HydrophobicContact CG2-CE1 4.31Å; I57-Y68 HydrophobicContact CG2-CE2 4.04Å; I57-Y68 HydrophobicContact CG2-CG 4.34Å; F60-Y68 HydrophobicContact CE2-CG 4.3Å; E64-Y68 WeakPolarHBondContact O-CB 3.38Å; E64-Y68 PolarHBondContact O-N 3.29Å; L65-Y68 PolarHBondContact O-N 3.13Å; Y68-R70 VanDerWaalsContact C-N 3.25Å; Y68-R70 PolarHBondContact O-N 3.49Å; Y68-N71 PolarHBondContact O-N 3.26Å; Y68-D72 HydrophobicContact CD2-CB 3.69Å; Y68-D72 HydrophobicContact CE2-CB 3.65Å; Y68-D72 PolarHBondContact O-N 3.43Å; Y68-V73 HydrophobicContact CD1-CG2 3.97Å; Y68-V73 HydrophobicContact CD2-CG2 4.31Å; Y68-V73 HydrophobicContact CE1-CG2 3.37Å; Y68-V73 HydrophobicContact CE2-CG2 3.75Å; Y68-V73 HydrophobicContact CG-CG2 4.39Å; Y68-V73 PolarHBondContact O-N 3.2Å; Y68-V73 VanDerWaalsContact OH-CG2 3.32Å; Y68-V73 WeakPolarHBondContact OH-CG2 3.11Å
69R96.1Very high94.4Very high76 Ų7661.9 Ų61.929%0.28731%0.31SS..Hα-helixtrans-58.8-37.8176.4-74.4-171.9-52.4-93.4-1.3112.5G40 G41 L65 T66 V73 K141G40-R69 WeakPolarHBondContact O-CG 3.4Å; G41-R69 PolarHBondContact O-NH1 2.73Å; L65-R69 WeakPolarHBondContact O-CB 3.38Å; L65-R69 WeakPolarHBondContact O-CG 3.38Å; L65-R69 PolarHBondContact O-N 3.46Å; T66-R69 PolarHBondContact OG1-NH2 2.91Å; R69-V73 VanDerWaalsContact O-O 3.13Å; R69-K141 PolarHBondContact O-NZ 2.87Å
70R94.6Very high94Very high91 Ų9160 Ų6034%0.34329%0.288SS..Hα-helixtrans-65.1-53.4178.4175.7-168.4-72.9126.76111T66 T67 Y68 I98 V99 K141T66-R70 WeakPolarHBondContact O-CB 3.32Å; T66-R70 PolarHBondContact O-N 3.33Å; T66-R70 VanDerWaalsContact O-N 3.09Å; T67-R70 WeakPolarHBondContact O-CB 3.46Å; T67-R70 PolarHBondContact O-N 2.89Å; Y68-R70 VanDerWaalsContact C-N 3.25Å; Y68-R70 PolarHBondContact O-N 3.49Å; R70-I98 WeakPolarHBondContact CD-O 3.5Å; R70-I98 HydrophobicContact CG-CB 4.49Å; R70-I98 HydrophobicContact CG-CD1 4.26Å; R70-I98 HydrophobicContact CG-CG1 4.42Å; R70-I98 VanDerWaalsContact CG-O 3.26Å; R70-I98 WeakPolarHBondContact CG-O 3.46Å; R70-I98 PolarHBondContact NE-O 3.43Å; R70-V99 HydrophobicContact CG-CG1 3.75Å; R70-V99 WeakPolarHBondContact O-CG1 3.33Å; R70-K141 WeakPolarHBondContact O-CE 3.26Å; R70-K141 PolarHBondContact O-NZ 2.81Å; R70-K141 VanDerWaalsContact O-NZ 3.08Å
71N94.2Very high93.6Very high70 Ų7061.9 Ų61.937%0.37430%0.3SS..Hα-helixtrans-93.6-35.2-165.3-63.9-17.3000114.4T67 Y68T67-N71 WeakPolarHBondContact CG2-ND2 3.45Å; T67-N71 WeakPolarHBondContact O-CB 3.49Å; T67-N71 PolarHBondContact O-N 2.87Å; Y68-N71 PolarHBondContact O-N 3.26Å
72D95.4Very high93.5Very high32 Ų3260.3 Ų60.317%0.17129%0.287CS..THydrogen-bonded Turntrans-108.4-22.4-166.8-58.9-70.4000113.1Y68 K144 L145Y68-D72 HydrophobicContact CD2-CB 3.69Å; Y68-D72 HydrophobicContact CE2-CB 3.65Å; Y68-D72 PolarHBondContact O-N 3.43Å; D72-K144 HydrophobicContact CB-CD 4.38Å; D72-K144 PolarHBondContact O-N 3.35Å; D72-K144 WeakPolarHBondContact OD1-CD 3.29Å; D72-K144 WeakPolarHBondContact OD1-CE 3.49Å; D72-K144 IonicContact OD1-NZ 3.71Å; D72-K144 PolarHBondContact OD1-NZ 2.87Å; D72-L145 PolarHBondContact O-N 3.41Å
73V96.6Very high93.5Very high0 Ų056.7 Ų56.70%027%0.269CS..EExtended strand (participates in β ladder)trans-115.4127.8-169.9-173.10000112.8Y68 R69 F75 K141 L145 L147Y68-V73 HydrophobicContact CD1-CG2 3.97Å; Y68-V73 HydrophobicContact CD2-CG2 4.31Å; Y68-V73 HydrophobicContact CE1-CG2 3.37Å; Y68-V73 HydrophobicContact CE2-CG2 3.75Å; Y68-V73 HydrophobicContact CG-CG2 4.39Å; Y68-V73 PolarHBondContact O-N 3.2Å; Y68-V73 VanDerWaalsContact OH-CG2 3.32Å; Y68-V73 WeakPolarHBondContact OH-CG2 3.11Å; R69-V73 VanDerWaalsContact O-O 3.13Å; V73-F75 HydrophobicContact CB-CE2 4.48Å; V73-F75 HydrophobicContact CG1-CD2 3.63Å; V73-F75 HydrophobicContact CG1-CE2 3.42Å; V73-F75 VanDerWaalsContact CG1-CE2 3.42Å; V73-F75 HydrophobicContact CG1-CG 4.4Å; V73-F75 HydrophobicContact CG1-CZ 4.05Å; V73-K141 WeakPolarHBondContact O-CE 3.31Å; V73-K141 PolarHBondContact O-NZ 2.81Å; V73-L145 CarbonylContact C-O 3.59Å; V73-L145 WeakPolarHBondContact CA-O 3.27Å; V73-L147 HydrophobicContact CG1-CD1 3.72Å; V73-L147 HydrophobicContact CG1-CG 4.15Å
74G96.2Very high93.4Very high0 Ų052.9 Ų52.90%026%0.262CS..EExtended strand (participates in β ladder)trans-105136.9163.900000110P143 L145 L147G74-P143 VanDerWaalsContact N-CB 3.31Å; G74-L145 PolarHBondContact N-O 2.93Å; G74-L147 PolarHBondContact O-N 3.33Å
75F95.5Very high93.3Very high29 Ų2955 Ų5513%0.12728%0.276CS..EExtended strand (participates in β ladder)trans-117133.5177.8-86-77.3000111.8L36 M42 V73 F77 L147L36-F75 HydrophobicContact CD2-CE1 4.45Å; M42-F75 HydrophobicContact CE-CD1 3.98Å; M42-F75 HydrophobicContact CE-CE1 3.3Å; M42-F75 HydrophobicContact CE-CE2 3.94Å; M42-F75 HydrophobicContact CE-CZ 3.24Å; M42-F75 HydrophobicContact CG-CE2 3.85Å; M42-F75 HydrophobicContact CG-CZ 3.81Å; M42-F75 HydrophobicContact SD-CD2 4.19Å; M42-F75 HydrophobicContact SD-CE1 4.16Å; M42-F75 HydrophobicContact SD-CE2 3.7Å; M42-F75 HydrophobicContact SD-CZ 3.65Å; V73-F75 HydrophobicContact CB-CE2 4.48Å; V73-F75 HydrophobicContact CG1-CD2 3.63Å; V73-F75 HydrophobicContact CG1-CE2 3.42Å; V73-F75 VanDerWaalsContact CG1-CE2 3.42Å; V73-F75 HydrophobicContact CG1-CG 4.4Å; V73-F75 HydrophobicContact CG1-CZ 4.05Å; F75-F77 HydrophobicContact CB-CD2 4.27Å; F75-F77 HydrophobicContact CB-CE1 4.48Å; F75-F77 HydrophobicContact CB-CE2 3.58Å; F75-F77 HydrophobicContact CB-CZ 3.7Å; F75-F77 HydrophobicContact CD1-CE1 4.12Å; F75-F77 AromaticContact CD1-CZ 3.96Å; F75-F77 HydrophobicContact CD1-CZ 3.96Å; F75-F77 HydrophobicContact CG-CE1 4.47Å; F75-F77 HydrophobicContact CG-CE2 4.25Å; F75-F77 AromaticContact CG-CZ 3.86Å; F75-F77 HydrophobicContact CG-CZ 3.86Å; F75-L147 WeakPolarHBondContact CA-O 3.42Å; F75-L147 HydrophobicContact CD1-CB 3.78Å; F75-L147 HydrophobicContact CD1-CD1 4.37Å; F75-L147 HydrophobicContact CE1-CB 3.79Å; F75-L147 HydrophobicContact CE1-CD1 3.63Å; F75-L147 HydrophobicContact CE1-CG 4.36Å; F75-L147 HydrophobicContact CE2-CD1 4.37Å; F75-L147 HydrophobicContact CZ-CD1 3.66Å
76V95.3Very high93.3Very high0 Ų055.9 Ų55.90%028%0.281CS..EExtended strand (participates in β ladder)trans-122.3109.4173.5178.30000107.4I135 A138 L146 L147 C148 D149 P151V76-I135 HydrophobicContact CG1-CG1 4.01Å; V76-I135 HydrophobicContact CG2-CG1 3.88Å; V76-A138 HydrophobicContact CG2-CB 4.03Å; V76-L146 HydrophobicContact CG2-CD1 3.89Å; V76-L147 PolarHBondContact N-O 3.42Å; V76-C148 HydrophobicContact CB-CB 4.3Å; V76-C148 WeakPolarHBondContact O-CA 3.45Å; V76-D149 PolarHBondContact O-N 3.48Å; V76-P151 HydrophobicContact CG1-CB 4.38Å
77F89.2Confident93.5Very high50 Ų5054 Ų5422%0.21927%0.269CS..  trans-99151.8-175.7-62.6-78.1000111.7M42 F75 F79 Y80 N81M42-F77 HydrophobicContact CE-CE1 3.94Å; M42-F77 HydrophobicContact CE-CZ 4.08Å; M42-F77 HydrophobicContact SD-CE1 4.45Å; M42-F77 HydrophobicContact SD-CZ 4.03Å; F75-F77 HydrophobicContact CB-CD2 4.27Å; F75-F77 HydrophobicContact CB-CE1 4.48Å; F75-F77 HydrophobicContact CB-CE2 3.58Å; F75-F77 HydrophobicContact CB-CZ 3.7Å; F75-F77 HydrophobicContact CD1-CE1 4.12Å; F75-F77 AromaticContact CD1-CZ 3.96Å; F75-F77 HydrophobicContact CD1-CZ 3.96Å; F75-F77 HydrophobicContact CG-CE1 4.47Å; F75-F77 HydrophobicContact CG-CE2 4.25Å; F75-F77 AromaticContact CG-CZ 3.86Å; F75-F77 HydrophobicContact CG-CZ 3.86Å; F77-F79 VanDerWaalsContact C-N 3.31Å; F77-F79 PolarHBondContact O-N 3.25Å; F77-Y80 PolarHBondContact O-N 2.99Å; F77-N81 HydrophobicContact CD2-CB 4.37Å; F77-N81 VanDerWaalsContact CD2-ND2 3.33Å; F77-N81 WeakPolarHBondContact CD2-ND2 3.45Å; F77-N81 WeakPolarHBondContact CG-ND2 3.43Å
78Q84.4Confident93.6Very high69 Ų6951.5 Ų51.532%0.32225%0.254SS..THydrogen-bonded Turntrans-56.8-38176-169.5-178.7-0.500113.9Y80 D149 E150Q78-Y80 VanDerWaalsContact C-N 3.34Å; Q78-Y80 PolarHBondContact O-N 2.78Å; Q78-D149 PolarHBondContact N-O 3.21Å; Q78-E150 HydrophobicContact CB-CB 4.46Å; Q78-E150 HydrophobicContact CG-CB 4.28Å
79F81.9Confident93.7Very high163 Ų16353.5 Ų53.572%0.71526%0.263SS*.THydrogen-bonded Turntrans-93.719.3-177.4-65.9-69.1000114.5F77 N81F77-F79 VanDerWaalsContact C-N 3.31Å; F77-F79 PolarHBondContact O-N 3.25Å; F79-N81 PolarHBondContact O-N 3.45Å
80Y86.1Confident93.8Very high36 Ų3653.4 Ų53.414%0.14127%0.266CS..  trans63.7-45.4-179.1-40.7-48.6000115.9F77 Q78 L82 G127 Q130 Q131 T134 R137F77-Y80 PolarHBondContact O-N 2.99Å; Q78-Y80 VanDerWaalsContact C-N 3.34Å; Q78-Y80 PolarHBondContact O-N 2.78Å; Y80-L82 PolarHBondContact O-N 2.89Å; Y80-G127 WeakPolarHBondContact OH-CA 3.37Å; Y80-Q130 HydrophobicContact CD1-CB 4.34Å; Y80-Q130 HydrophobicContact CD2-CB 3.9Å; Y80-Q130 HydrophobicContact CE2-CB 4.17Å; Y80-Q130 HydrophobicContact CG-CB 4.01Å; Y80-Q131 HydrophobicContact CD1-CB 4.3Å; Y80-Q131 HydrophobicContact CE1-CB 4Å; Y80-Q131 VanDerWaalsContact CE1-OE1 3.29Å; Y80-T134 WeakPolarHBondContact O-CG2 3.35Å; Y80-R137 PolarHBondContact O-NH2 3.19Å
81N88.9Confident93.9Very high90 Ų9049.1 Ų49.148%0.48125%0.249SC..  trans53.537.9-177.2-65.3-19.4000112.9F77 F79 R137F77-N81 HydrophobicContact CD2-CB 4.37Å; F77-N81 VanDerWaalsContact CD2-ND2 3.33Å; F77-N81 WeakPolarHBondContact CD2-ND2 3.45Å; F77-N81 WeakPolarHBondContact CG-ND2 3.43Å; F79-N81 PolarHBondContact O-N 3.45Å; N81-R137 PolarHBondContact O-NH1 2.97Å
82L94.1Very high94.1Very high26 Ų2645.8 Ų45.814%0.13623%0.231CC..  trans-78147.9173.5-62.3177.4000110.6Y80 P84 N91 P122 Q130 V133 T134Y80-L82 PolarHBondContact O-N 2.89Å; L82-P84 WeakPolarHBondContact O-CD 3.1Å; L82-N91 HydrophobicContact CD2-CB 4.22Å; L82-P122 HydrophobicContact CB-CB 4.34Å; L82-P122 HydrophobicContact CB-CG 3.87Å; L82-P122 HydrophobicContact CD1-CB 4.17Å; L82-P122 HydrophobicContact CD1-CG 4.06Å; L82-Q130 HydrophobicContact CD1-CB 3.96Å; L82-Q130 HydrophobicContact CD1-CG 4.14Å; L82-V133 HydrophobicContact CD1-CB 4.04Å; L82-V133 HydrophobicContact CD1-CG1 4.12Å; L82-V133 HydrophobicContact CD2-CB 4.11Å; L82-V133 HydrophobicContact CD2-CG1 3.58Å; L82-T134 HydrophobicContact CD1-CG2 4.38Å; L82-T134 HydrophobicContact CD2-CG2 3.58Å; L82-T134 HydrophobicContact CG-CG2 3.85Å
83V95.7Very high94.2Very high60 Ų6046.9 Ų46.936%0.36424%0.236SC..  trans-77.2114.6171.2-175.90000107.7N85 L86 N91 L94V83-N85 VanDerWaalsContact C-N 3.27Å; V83-N85 PolarHBondContact O-N 3.21Å; V83-L86 HydrophobicContact CB-CB 4.22Å; V83-L86 HydrophobicContact CB-CD1 3.85Å; V83-L86 HydrophobicContact CB-CG 4.01Å; V83-L86 HydrophobicContact CG1-CB 4.36Å; V83-L86 HydrophobicContact CG1-CD1 3.87Å; V83-L86 HydrophobicContact CG1-CG 3.75Å; V83-L86 HydrophobicContact CG2-CD1 4.26Å; V83-L86 PolarHBondContact O-N 3.31Å; V83-N91 PolarHBondContact N-OD1 3.19Å; V83-N91 PolarHBondContact O-ND2 3.19Å; V83-N91 VanDerWaalsContact O-ND2 3.12Å; V83-L94 HydrophobicContact CG2-CD1 3.92Å
84P94.8Very high94.1Very high88 Ų8850.6 Ų50.657%0.57126%0.255SS*.THydrogen-bonded Turntrans-68.3-24.7-16625.3-35.1000114.1L82L82-P84 WeakPolarHBondContact O-CD 3.1Å
85N96Very high93.8Very high135 Ų13551 Ų5172%0.72226%0.259SS*.THydrogen-bonded Turntrans-95.18.9-178-61.6-17.9000113V83V83-N85 VanDerWaalsContact C-N 3.27Å; V83-N85 PolarHBondContact O-N 3.21Å
86L97.7Very high93.7Very high43 Ų4350.3 Ų50.323%0.22526%0.257CS..SBendtrans-113.6146.3175-65.7-173.7000109.1V83 E90 N91 L94 P122V83-L86 HydrophobicContact CB-CB 4.22Å; V83-L86 HydrophobicContact CB-CD1 3.85Å; V83-L86 HydrophobicContact CB-CG 4.01Å; V83-L86 HydrophobicContact CG1-CB 4.36Å; V83-L86 HydrophobicContact CG1-CD1 3.87Å; V83-L86 HydrophobicContact CG1-CG 3.75Å; V83-L86 HydrophobicContact CG2-CD1 4.26Å; V83-L86 PolarHBondContact O-N 3.31Å; L86-E90 WeakPolarHBondContact CA-OE2 3.4Å; L86-E90 HydrophobicContact CB-CB 3.74Å; L86-E90 HydrophobicContact CD1-CB 4.36Å; L86-E90 HydrophobicContact CD2-CB 4.17Å; L86-E90 HydrophobicContact CG-CB 4.29Å; L86-N91 WeakPolarHBondContact CB-ND2 3.3Å; L86-N91 PolarHBondContact O-ND2 2.89Å; L86-N91 VanDerWaalsContact O-ND2 3.12Å; L86-L94 HydrophobicContact CD1-CD1 3.45Å; L86-L94 VanDerWaalsContact CD1-CD1 3.45Å; L86-L94 HydrophobicContact CD1-CD2 4.44Å; L86-L94 HydrophobicContact CD1-CG 3.97Å; L86-P122 WeakPolarHBondContact O-CD 3.36Å
87T98.3Very high93.6Very high15 Ų1557.3 Ų57.39%0.09229%0.29CS..  trans-65.7170.9172.768.10000111.5K89 E90 N91 D119 N120 F121T87-K89 VanDerWaalsContact C-N 3.27Å; T87-K89 PolarHBondContact O-N 2.92Å; T87-K89 PolarHBondContact OG1-N 3.38Å; T87-E90 PolarHBondContact N-OE2 2.94Å; T87-E90 PolarHBondContact O-N 3.32Å; T87-E90 WeakPolarHBondContact OG1-CG 3.45Å; T87-E90 PolarHBondContact OG1-N 3.44Å; T87-E90 VanDerWaalsContact OG1-N 3.1Å; T87-N91 WeakPolarHBondContact O-CB 3.45Å; T87-N91 PolarHBondContact O-N 3.39Å; T87-N91 PolarHBondContact O-ND2 3.16Å; T87-D119 WeakPolarHBondContact CG2-O 3.44Å; T87-N120 CarbonylContact C-O 3.55Å; T87-N120 WeakPolarHBondContact CA-O 2.99Å; T87-F121 HydrophobicContact CG2-CD1 4.41Å; T87-F121 HydrophobicContact CG2-CE1 4.06Å; T87-F121 HydrophobicContact CG2-CZ 4.16Å
88A98.2Very high93.7Very high1 Ų159 Ų591%0.00830%0.3CS..Hα-helixtrans-54.7-45.4171.100000111.4N91 V92 L109 M118 N120 L125 V133A88-N91 PolarHBondContact O-N 3.13Å; A88-V92 WeakPolarHBondContact O-CG2 3.32Å; A88-V92 PolarHBondContact O-N 2.9Å; A88-L109 HydrophobicContact CB-CD2 4.34Å; A88-M118 PolarHBondContact N-O 2.8Å; A88-N120 PolarHBondContact N-O 3.33Å; A88-L125 HydrophobicContact CB-CD1 4.28Å; A88-V133 HydrophobicContact CB-CG1 4.24Å; A88-V133 HydrophobicContact CB-CG2 3.6Å
89K98.4Very high94Very high50 Ų5056.7 Ų56.722%0.21729%0.291CS..Hα-helixtrans-60-51175.7-179.3175.1158.4175.10112.3T87 N91 V92 E93 P105 E106 L109 M118T87-K89 VanDerWaalsContact C-N 3.27Å; T87-K89 PolarHBondContact O-N 2.92Å; T87-K89 PolarHBondContact OG1-N 3.38Å; K89-N91 VanDerWaalsContact C-N 3.28Å; K89-N91 PolarHBondContact O-N 2.98Å; K89-V92 PolarHBondContact O-N 3.03Å; K89-E93 WeakPolarHBondContact CE-OE1 3.29Å; K89-E93 HydrophobicContact CG-CG 4.4Å; K89-E93 IonicContact NZ-OE1 3.47Å; K89-E93 WeakPolarHBondContact O-CG 3.49Å; K89-E93 PolarHBondContact O-N 2.86Å; K89-P105 HydrophobicContact CG-CB 4.46Å; K89-E106 HydrophobicContact CD-CG 4.27Å; K89-E106 WeakPolarHBondContact CE-OE1 3.46Å; K89-E106 IonicContact NZ-OE1 3.01Å; K89-E106 PolarHBondContact NZ-OE1 3.25Å; K89-L109 HydrophobicContact CB-CD1 4Å; K89-M118 HydrophobicContact CB-CB 4.25Å; K89-M118 WeakPolarHBondContact CB-O 3.26Å; K89-M118 PolarHBondContact N-O 3.34Å
90E98Very high94.4Very high74 Ų7455.2 Ų55.235%0.34630%0.301SS..Hα-helixtrans-63-35.6-179.5-71.1171.5153.100111.9L86 T87 V92 E93 L94L86-E90 WeakPolarHBondContact CA-OE2 3.4Å; L86-E90 HydrophobicContact CB-CB 3.74Å; L86-E90 HydrophobicContact CD1-CB 4.36Å; L86-E90 HydrophobicContact CD2-CB 4.17Å; L86-E90 HydrophobicContact CG-CB 4.29Å; T87-E90 PolarHBondContact N-OE2 2.94Å; T87-E90 PolarHBondContact O-N 3.32Å; T87-E90 WeakPolarHBondContact OG1-CG 3.45Å; T87-E90 PolarHBondContact OG1-N 3.44Å; T87-E90 VanDerWaalsContact OG1-N 3.1Å; E90-V92 VanDerWaalsContact C-N 3.3Å; E90-V92 PolarHBondContact O-N 2.62Å; E90-E93 PolarHBondContact O-N 2.87Å; E90-L94 WeakPolarHBondContact O-CG 3.44Å; E90-L94 PolarHBondContact O-N 2.84Å; E90-L94 VanDerWaalsContact O-N 3.15Å
91N97.6Very high94.6Very high0 Ų058.6 Ų58.60%032%0.321CS..Hα-helixtrans-62.2-35.9173.4-91-85.2000112.9L82 V83 L86 T87 A88 K89 V133 R137L82-N91 HydrophobicContact CD2-CB 4.22Å; V83-N91 PolarHBondContact N-OD1 3.19Å; V83-N91 PolarHBondContact O-ND2 3.19Å; V83-N91 VanDerWaalsContact O-ND2 3.12Å; L86-N91 WeakPolarHBondContact CB-ND2 3.3Å; L86-N91 PolarHBondContact O-ND2 2.89Å; L86-N91 VanDerWaalsContact O-ND2 3.12Å; T87-N91 WeakPolarHBondContact O-CB 3.45Å; T87-N91 PolarHBondContact O-N 3.39Å; T87-N91 PolarHBondContact O-ND2 3.16Å; A88-N91 PolarHBondContact O-N 3.13Å; K89-N91 VanDerWaalsContact C-N 3.28Å; K89-N91 PolarHBondContact O-N 2.98Å; N91-V133 HydrophobicContact CB-CG1 4Å; N91-R137 WeakPolarHBondContact O-CD 3.46Å; N91-R137 WeakPolarHBondContact O-CG 3.37Å
92V97.5Very high94.8Very high0 Ų055.6 Ų55.60%031%0.309CS..Hα-helixtrans-76.1-41.6176.41780000110.6A88 K89 E90 L94 A95 S96 P105 L109 V133 A136 R137 A140A88-V92 WeakPolarHBondContact O-CG2 3.32Å; A88-V92 PolarHBondContact O-N 2.9Å; K89-V92 PolarHBondContact O-N 3.03Å; E90-V92 VanDerWaalsContact C-N 3.3Å; E90-V92 PolarHBondContact O-N 2.62Å; V92-L94 VanDerWaalsContact C-N 3.26Å; V92-L94 PolarHBondContact O-N 3.08Å; V92-A95 WeakPolarHBondContact O-CB 3.38Å; V92-A95 PolarHBondContact O-N 3.03Å; V92-S96 PolarHBondContact O-N 2.88Å; V92-S96 VanDerWaalsContact O-N 3.15Å; V92-P105 HydrophobicContact CB-CB 4.24Å; V92-P105 HydrophobicContact CG1-CB 3.86Å; V92-L109 HydrophobicContact CG2-CD1 4.3Å; V92-L109 HydrophobicContact CG2-CD2 3.93Å; V92-L109 HydrophobicContact CG2-CG 4.04Å; V92-V133 HydrophobicContact CG2-CG1 4.4Å; V92-A136 HydrophobicContact CG2-CB 3.81Å; V92-R137 HydrophobicContact CG2-CB 4.37Å; V92-A140 HydrophobicContact CG1-CB 3.67Å
93E96.9Very high94.8Very high56 Ų5656.3 Ų56.326%0.26231%0.312SS..Hα-helixtrans-54.9-38.5176.4-78.9175174.400112.9K89 E90 A95 S96 Q97 P105K89-E93 WeakPolarHBondContact CE-OE1 3.29Å; K89-E93 HydrophobicContact CG-CG 4.4Å; K89-E93 IonicContact NZ-OE1 3.47Å; K89-E93 WeakPolarHBondContact O-CG 3.49Å; K89-E93 PolarHBondContact O-N 2.86Å; E90-E93 PolarHBondContact O-N 2.87Å; E93-A95 PolarHBondContact O-N 2.79Å; E93-S96 PolarHBondContact O-N 2.94Å; E93-S96 VanDerWaalsContact O-N 3.09Å; E93-Q97 VanDerWaalsContact O-CG 3.29Å; E93-Q97 WeakPolarHBondContact O-CG 3.01Å; E93-Q97 PolarHBondContact O-N 2.91Å; E93-P105 HydrophobicContact CB-CG 4.47Å; E93-P105 HydrophobicContact CG-CB 3.99Å; E93-P105 HydrophobicContact CG-CG 3.57Å
94L94.3Very high94.8Very high78 Ų7860 Ų6041%0.40833%0.325SS..Hα-helixtrans-55.4-36.5175.5-74.1-178.8000112.9V83 L86 E90 V92V83-L94 HydrophobicContact CG2-CD1 3.92Å; L86-L94 HydrophobicContact CD1-CD1 3.45Å; L86-L94 VanDerWaalsContact CD1-CD1 3.45Å; L86-L94 HydrophobicContact CD1-CD2 4.44Å; L86-L94 HydrophobicContact CD1-CG 3.97Å; E90-L94 WeakPolarHBondContact O-CG 3.44Å; E90-L94 PolarHBondContact O-N 2.84Å; E90-L94 VanDerWaalsContact O-N 3.15Å; V92-L94 VanDerWaalsContact C-N 3.26Å; V92-L94 PolarHBondContact O-N 3.08Å
95A92Very high94.9Very high9 Ų956.3 Ų56.37%0.07430%0.302CS..Hα-helixtrans-79.6-3517700000112V92 E93 I98 R137 K141V92-A95 WeakPolarHBondContact O-CB 3.38Å; V92-A95 PolarHBondContact O-N 3.03Å; E93-A95 PolarHBondContact O-N 2.79Å; A95-I98 WeakPolarHBondContact O-CG1 3.3Å; A95-R137 HydrophobicContact CB-CG 3.58Å; A95-R137 VanDerWaalsContact CB-O 3.25Å; A95-R137 WeakPolarHBondContact CB-O 3.28Å; A95-K141 HydrophobicContact CB-CD 4.23Å; A95-K141 HydrophobicContact CB-CG 3.99Å
96S92.8Very high95Very high14 Ų1452.6 Ų52.610%0.09828%0.28CS..Hα-helixtrans-65-39.7175.8-620000112.2V92 E93 I98 V99 M103V92-S96 PolarHBondContact O-N 2.88Å; V92-S96 VanDerWaalsContact O-N 3.15Å; E93-S96 PolarHBondContact O-N 2.94Å; E93-S96 VanDerWaalsContact O-N 3.09Å; S96-I98 PolarHBondContact O-N 3.08Å; S96-I98 VanDerWaalsContact O-N 3.12Å; S96-V99 PolarHBondContact O-N 3.33Å; S96-V99 VanDerWaalsContact O-O 3.06Å; S96-M103 PolarHBondContact OG-O 3.4Å
97Q92.7Very high95Very high147 Ų14752.9 Ų52.969%0.68729%0.289SS*.THydrogen-bonded Turntrans-64.1-19-177-74.6173.99.100114.6E93E93-Q97 VanDerWaalsContact O-CG 3.29Å; E93-Q97 WeakPolarHBondContact O-CG 3.01Å; E93-Q97 PolarHBondContact O-N 2.91Å
98I90.9Very high94.8Very high85 Ų8552.2 Ų52.244%0.43628%0.284SS..THydrogen-bonded Turntrans-94.2-4.3-177.961.8162.9000113.6R70 A95 S96 K141R70-I98 WeakPolarHBondContact CD-O 3.5Å; R70-I98 HydrophobicContact CG-CB 4.49Å; R70-I98 HydrophobicContact CG-CD1 4.26Å; R70-I98 HydrophobicContact CG-CG1 4.42Å; R70-I98 VanDerWaalsContact CG-O 3.26Å; R70-I98 WeakPolarHBondContact CG-O 3.46Å; R70-I98 PolarHBondContact NE-O 3.43Å; A95-I98 WeakPolarHBondContact O-CG1 3.3Å; S96-I98 PolarHBondContact O-N 3.08Å; S96-I98 VanDerWaalsContact O-N 3.12Å; I98-K141 HydrophobicContact CD1-CD 4.25Å
99V92Very high94.8Very high21 Ų2152.1 Ų52.113%0.12728%0.284CS..SBendtrans-126.1149.4177.9-65.60000110.9R70 S96 A102 K141R70-V99 HydrophobicContact CG-CG1 3.75Å; R70-V99 WeakPolarHBondContact O-CG1 3.33Å; S96-V99 PolarHBondContact O-N 3.33Å; S96-V99 VanDerWaalsContact O-O 3.06Å; V99-A102 HydrophobicContact CG2-CB 3.71Å; V99-K141 HydrophobicContact CG1-CB 4.28Å; V99-K141 HydrophobicContact CG1-CD 4.44Å; V99-K141 HydrophobicContact CG1-CG 4.45Å; V99-K141 HydrophobicContact CG2-CB 4.35Å; V99-K141 HydrophobicContact CG2-CG 4.46Å
100S88.8Confident94.8Very high131 Ų13155.5 Ų55.592%0.91630%0.3SS*.THydrogen-bonded Turntrans-80.1-26.2-176.552.90000114.5
101D90.6Very high94.6Very high108 Ų10855.7 Ų55.758%0.57831%0.31SS*.THydrogen-bonded Turntrans-116.444.7-177.4-172.828.3000110.7R142D101-R142 VanDerWaalsContact O-CD 3.28Å; D101-R142 WeakPolarHBondContact O-CD 3.38Å; D101-R142 PolarHBondContact O-NE 3.03Å; D101-R142 VanDerWaalsContact O-NE 3.13Å; D101-R142 IonicContact OD1-NE 3.28Å; D101-R142 IonicContact OD2-NE 2.76Å
102A93.8Very high94.5Very high27 Ų2755.9 Ų55.922%0.22331%0.311CS..PPolyproline II helixtrans-61.9150177.800000111.1V99 A140V99-A102 HydrophobicContact CG2-CB 3.71Å; A102-A140 CarbonylContact C-O 3.58Å; A102-A140 WeakPolarHBondContact CA-O 3.4Å
103M94.5Very high94.4Very high41 Ų4158.7 Ų58.720%0.20234%0.34CS..PPolyproline II helixtrans-73.9148.9161.7-60.5175.772.200109.7S96 P105 V108 A140 R142S96-M103 PolarHBondContact OG-O 3.4Å; M103-P105 WeakPolarHBondContact O-CD 3.24Å; M103-V108 HydrophobicContact CB-CG2 3.28Å; M103-V108 HydrophobicContact CE-CG2 3.9Å; M103-V108 HydrophobicContact CG-CG2 4.17Å; M103-V108 HydrophobicContact SD-CG2 3.93Å; M103-A140 PolarHBondContact N-O 3.44Å; M103-R142 HydrophobicContact CG-CG 3.78Å; M103-R142 HydrophobicContact SD-CG 4.26Å
104E96Very high94.4Very high136 Ų13656 Ų5664%0.63633%0.327SS*.PPolyproline II helixtrans-60.8121.3172.8-67.3-59.2144.200110E106 A107 V108E104-E106 PolarHBondContact O-N 2.84Å; E104-E106 VanDerWaalsContact O-N 3.15Å; E104-A107 HydrophobicContact CB-CB 4.14Å; E104-A107 WeakPolarHBondContact O-CB 3.21Å; E104-A107 PolarHBondContact O-N 3.11Å; E104-V108 WeakPolarHBondContact O-CG2 3.39Å; E104-V108 PolarHBondContact O-N 2.95Å; E104-V108 VanDerWaalsContact O-N 3.13Å
105P96.9Very high94.5Very high12 Ų1253.2 Ų53.28%0.07832%0.318CS..Hα-helixtrans-50.7-41.4-174.4-28.734000114K89 V92 E93 M103 V108 L109K89-P105 HydrophobicContact CG-CB 4.46Å; V92-P105 HydrophobicContact CB-CB 4.24Å; V92-P105 HydrophobicContact CG1-CB 3.86Å; E93-P105 HydrophobicContact CB-CG 4.47Å; E93-P105 HydrophobicContact CG-CB 3.99Å; E93-P105 HydrophobicContact CG-CG 3.57Å; M103-P105 WeakPolarHBondContact O-CD 3.24Å; P105-V108 PolarHBondContact O-N 3.28Å; P105-L109 WeakPolarHBondContact O-CB 3.44Å; P105-L109 WeakPolarHBondContact O-CG 3.43Å; P105-L109 PolarHBondContact O-N 2.65Å
106E97.5Very high94.7Very high56 Ų5661.5 Ų61.526%0.26236%0.355SS..Hα-helixtrans-64.5-41.7178.8-66.189.3156.700112K89 E104 V108 L109 Q110 M118K89-E106 HydrophobicContact CD-CG 4.27Å; K89-E106 WeakPolarHBondContact CE-OE1 3.46Å; K89-E106 IonicContact NZ-OE1 3.01Å; K89-E106 PolarHBondContact NZ-OE1 3.25Å; E104-E106 PolarHBondContact O-N 2.84Å; E104-E106 VanDerWaalsContact O-N 3.15Å; E106-V108 VanDerWaalsContact C-N 3.33Å; E106-L109 PolarHBondContact O-N 3.05Å; E106-Q110 WeakPolarHBondContact O-CB 3.34Å; E106-Q110 VanDerWaalsContact O-CG 3.24Å; E106-Q110 WeakPolarHBondContact O-CG 3.3Å; E106-Q110 PolarHBondContact O-N 2.8Å; E106-M118 HydrophobicContact CB-CE 4.5Å; E106-M118 HydrophobicContact CG-CE 4.39Å; E106-M118 HydrophobicContact CG-SD 4.03Å
107A96.4Very high95Very high50 Ų5066.2 Ų66.241%0.41337%0.371SS..Hα-helixtrans-66.1-3917900000111.1E104 Q110 S111E104-A107 HydrophobicContact CB-CB 4.14Å; E104-A107 WeakPolarHBondContact O-CB 3.21Å; E104-A107 PolarHBondContact O-N 3.11Å; A107-Q110 PolarHBondContact O-N 2.85Å; A107-S111 PolarHBondContact O-N 3.43Å
108V96.1Very high95.2Very high0 Ų060.9 Ų60.90%035%0.346CS..Hα-helixtrans-69.4-41176.5-169.80000111.2M103 E104 P105 E106 Q110 S111 V112 A136 L139 A140M103-V108 HydrophobicContact CB-CG2 3.28Å; M103-V108 HydrophobicContact CE-CG2 3.9Å; M103-V108 HydrophobicContact CG-CG2 4.17Å; M103-V108 HydrophobicContact SD-CG2 3.93Å; E104-V108 WeakPolarHBondContact O-CG2 3.39Å; E104-V108 PolarHBondContact O-N 2.95Å; E104-V108 VanDerWaalsContact O-N 3.13Å; P105-V108 PolarHBondContact O-N 3.28Å; E106-V108 VanDerWaalsContact C-N 3.33Å; V108-Q110 VanDerWaalsContact C-N 3.3Å; V108-Q110 PolarHBondContact O-N 2.71Å; V108-S111 PolarHBondContact O-N 2.77Å; V108-S111 PolarHBondContact O-OG 2.79Å; V108-V112 PolarHBondContact O-N 3.28Å; V108-A136 HydrophobicContact CG1-CB 3.74Å; V108-A136 WeakPolarHBondContact CG1-O 3.39Å; V108-L139 HydrophobicContact CG1-CB 3.94Å; V108-A140 HydrophobicContact CG2-CB 4.21Å
109L97.9Very high95.5Very high0 Ų062.3 Ų62.30%035%0.354CS..Hα-helixtrans-63.8-38.1175.5-78169.4000111.7A88 K89 V92 P105 E106 V112 G113 L114 M118 A136A88-L109 HydrophobicContact CB-CD2 4.34Å; K89-L109 HydrophobicContact CB-CD1 4Å; V92-L109 HydrophobicContact CG2-CD1 4.3Å; V92-L109 HydrophobicContact CG2-CD2 3.93Å; V92-L109 HydrophobicContact CG2-CG 4.04Å; P105-L109 WeakPolarHBondContact O-CB 3.44Å; P105-L109 WeakPolarHBondContact O-CG 3.43Å; P105-L109 PolarHBondContact O-N 2.65Å; E106-L109 PolarHBondContact O-N 3.05Å; L109-V112 WeakPolarHBondContact O-CG2 3.45Å; L109-V112 PolarHBondContact O-N 2.98Å; L109-G113 PolarHBondContact O-N 3.11Å; L109-L114 HydrophobicContact CB-CB 4.32Å; L109-L114 HydrophobicContact CD2-CB 3.96Å; L109-L114 HydrophobicContact CD2-CD1 3.82Å; L109-L114 WeakPolarHBondContact O-CA 3.25Å; L109-L114 WeakPolarHBondContact O-CB 3.41Å; L109-L114 PolarHBondContact O-N 2.88Å; L109-M118 HydrophobicContact CD1-CB 3.88Å; L109-A136 HydrophobicContact CD2-CB 3.96Å; L109-A136 HydrophobicContact CG-CB 4.46Å
110Q96.9Very high95.8Very high120 Ų12062.8 Ų62.856%0.56136%0.356SS*.Hα-helixtrans-64-41.9173.3-74.6172.21.300112.2E106 A107 V108 V112 G113E106-Q110 WeakPolarHBondContact O-CB 3.34Å; E106-Q110 VanDerWaalsContact O-CG 3.24Å; E106-Q110 WeakPolarHBondContact O-CG 3.3Å; E106-Q110 PolarHBondContact O-N 2.8Å; A107-Q110 PolarHBondContact O-N 2.85Å; V108-Q110 VanDerWaalsContact C-N 3.3Å; V108-Q110 PolarHBondContact O-N 2.71Å; Q110-V112 PolarHBondContact O-N 2.84Å; Q110-G113 PolarHBondContact O-N 3.04Å
111S94.2Very high96.3Very high79 Ų7960.7 Ų60.755%0.55233%0.331SS*.Hα-helixtrans-65.3-26.218075.20000113.2A107 V108A107-S111 PolarHBondContact O-N 3.43Å; V108-S111 PolarHBondContact O-N 2.77Å; V108-S111 PolarHBondContact O-OG 2.79Å
112V95.4Very high96.6Very high3 Ų356 Ų562%0.01831%0.306CS..THydrogen-bonded Turntrans-9516.5171.6-53.70000113.2V108 L109 Q110 L114 R132 I135 A136 L139 I166V108-V112 PolarHBondContact O-N 3.28Å; L109-V112 WeakPolarHBondContact O-CG2 3.45Å; L109-V112 PolarHBondContact O-N 2.98Å; Q110-V112 PolarHBondContact O-N 2.84Å; V112-L114 HydrophobicContact CG2-CB 4.27Å; V112-L114 HydrophobicContact CG2-CD1 3.92Å; V112-L114 HydrophobicContact CG2-CG 4.07Å; V112-L114 PolarHBondContact O-N 3.13Å; V112-R132 HydrophobicContact CB-CB 4.15Å; V112-R132 HydrophobicContact CG2-CB 4.07Å; V112-R132 WeakPolarHBondContact O-CD 3.41Å; V112-R132 PolarHBondContact O-NE 3Å; V112-I135 HydrophobicContact CG1-CG2 4.27Å; V112-A136 HydrophobicContact CG1-CB 4.34Å; V112-A136 HydrophobicContact CG2-CB 3.86Å; V112-L139 HydrophobicContact CG1-CD1 4.37Å; V112-I166 HydrophobicContact CB-CD1 4.3Å; V112-I166 HydrophobicContact CG1-CG2 4.02Å
113G95.6Very high96.7Very high59 Ų5959.5 Ų59.561%0.60834%0.335SS*.THydrogen-bonded Turntrans69.229.7174.800000115.1L109 Q110L109-G113 PolarHBondContact O-N 3.11Å; Q110-G113 PolarHBondContact O-N 3.04Å
114L97.2Very high96.9Very high0 Ų062.9 Ų62.90%035%0.351CS..  trans-114.817.7178.8-68.8177.7000113.8L109 V112 E116 R117 M118 E129 R132 V133L109-L114 HydrophobicContact CB-CB 4.32Å; L109-L114 HydrophobicContact CD2-CB 3.96Å; L109-L114 HydrophobicContact CD2-CD1 3.82Å; L109-L114 WeakPolarHBondContact O-CA 3.25Å; L109-L114 WeakPolarHBondContact O-CB 3.41Å; L109-L114 PolarHBondContact O-N 2.88Å; V112-L114 HydrophobicContact CG2-CB 4.27Å; V112-L114 HydrophobicContact CG2-CD1 3.92Å; V112-L114 HydrophobicContact CG2-CG 4.07Å; V112-L114 PolarHBondContact O-N 3.13Å; L114-E116 VanDerWaalsContact C-N 3.34Å; L114-E116 PolarHBondContact O-N 3.39Å; L114-R117 HydrophobicContact CB-CB 4.43Å; L114-R117 HydrophobicContact CD2-CB 3.98Å; L114-R117 HydrophobicContact CD2-CG 4.31Å; L114-R117 CarbonylContact O-C 3.53Å; L114-R117 PolarHBondContact O-N 2.95Å; L114-M118 PolarHBondContact O-N 3.28Å; L114-E129 HydrophobicContact CD2-CB 3.91Å; L114-E129 HydrophobicContact CD2-CG 3.82Å; L114-R132 HydrophobicContact CD1-CB 3.65Å; L114-R132 HydrophobicContact CG-CB 4.03Å; L114-V133 HydrophobicContact CD1-CB 4.31Å; L114-V133 HydrophobicContact CD1-CG2 3.46Å; L114-V133 VanDerWaalsContact CD1-CG2 3.46Å
115G96.3Very high96.9Very high20 Ų2056.9 Ų56.921%0.20632%0.323CS..G310 helixtrans-51-50.3178.800000113R117 M118G115-R117 PolarHBondContact O-N 3.35Å; G115-M118 WeakPolarHBondContact O-CE 3.38Å
116E96.9Very high96.8Very high183 Ų18359.3 Ų59.386%0.85534%0.34SS*.G310 helixtrans-77.60.6-179.9-59.3-61.3145.600114.2L114L114-E116 VanDerWaalsContact C-N 3.34Å; L114-E116 PolarHBondContact O-N 3.39Å
117R97.5Very high96.6Very high113 Ų11357.9 Ų57.943%0.42634%0.34SS..G310 helixtrans-121.56.9-173.9-63.5-61.2-161.3-155.3-3.8113L114 G115 D119 N120 L125 E129L114-R117 HydrophobicContact CB-CB 4.43Å; L114-R117 HydrophobicContact CD2-CB 3.98Å; L114-R117 HydrophobicContact CD2-CG 4.31Å; L114-R117 CarbonylContact O-C 3.53Å; L114-R117 PolarHBondContact O-N 2.95Å; G115-R117 PolarHBondContact O-N 3.35Å; R117-D119 VanDerWaalsContact C-N 3.25Å; R117-D119 PolarHBondContact O-N 2.86Å; R117-N120 WeakPolarHBondContact CA-OD1 3.32Å; R117-N120 WeakPolarHBondContact O-CB 3.42Å; R117-N120 PolarHBondContact O-N 3.02Å; R117-N120 VanDerWaalsContact O-N 3.16Å; R117-L125 HydrophobicContact CB-CD2 4.07Å; R117-L125 HydrophobicContact CG-CD2 4.47Å; R117-E129 IonicContact CZ-OE1 3.87Å; R117-E129 IonicContact NE-OE1 4Å; R117-E129 PolarHBondContact NE-OE1 2.92Å
118M97.3Very high96.5Very high34 Ų3455.7 Ų55.717%0.16732%0.323CS..THydrogen-bonded Turntrans-63.8-29.6-171.565.6175.474.900113.5A88 K89 E106 L109 L114 G115A88-M118 PolarHBondContact N-O 2.8Å; K89-M118 HydrophobicContact CB-CB 4.25Å; K89-M118 WeakPolarHBondContact CB-O 3.26Å; K89-M118 PolarHBondContact N-O 3.34Å; E106-M118 HydrophobicContact CB-CE 4.5Å; E106-M118 HydrophobicContact CG-CE 4.39Å; E106-M118 HydrophobicContact CG-SD 4.03Å; L109-M118 HydrophobicContact CD1-CB 3.88Å; L114-M118 PolarHBondContact O-N 3.28Å; G115-M118 WeakPolarHBondContact O-CE 3.38Å
119D98.2Very high96.5Very high115 Ų11556.9 Ų56.962%0.61533%0.328SS*.THydrogen-bonded Turntrans-93.22.6-179.4-60.1-42.3000113.6T87 R117T87-D119 WeakPolarHBondContact CG2-O 3.44Å; R117-D119 VanDerWaalsContact C-N 3.25Å; R117-D119 PolarHBondContact O-N 2.86Å
120N98.5Very high96.4Very high31 Ų3158.8 Ų58.817%0.16634%0.337CS..  trans-80.3139.3177.5-73.588.4000111.3T87 A88 R117 Q124 L125T87-N120 CarbonylContact C-O 3.55Å; T87-N120 WeakPolarHBondContact CA-O 2.99Å; A88-N120 PolarHBondContact N-O 3.33Å; R117-N120 WeakPolarHBondContact CA-OD1 3.32Å; R117-N120 WeakPolarHBondContact O-CB 3.42Å; R117-N120 PolarHBondContact O-N 3.02Å; R117-N120 VanDerWaalsContact O-N 3.16Å; N120-Q124 HydrophobicContact CB-CB 4.24Å; N120-L125 HydrophobicContact CB-CD2 3.64Å; N120-L125 HydrophobicContact CB-CG 4.12Å
121F98Very high96.4Very high87 Ų8753.1 Ų53.138%0.38231%0.311SS..  trans-73.5153.4168.1-64.9-78.7000110.8T87 A123 Q124T87-F121 HydrophobicContact CG2-CD1 4.41Å; T87-F121 HydrophobicContact CG2-CE1 4.06Å; T87-F121 HydrophobicContact CG2-CZ 4.16Å; F121-A123 PolarHBondContact O-N 3.26Å; F121-Q124 HydrophobicContact CB-CG 4.5Å; F121-Q124 WeakPolarHBondContact O-CA 3.32Å; F121-Q124 WeakPolarHBondContact O-CB 3.44Å; F121-Q124 PolarHBondContact O-N 2.88Å
122P97Very high96.5Very high9 Ų950.9 Ų50.96%0.05829%0.29CS..G310 helixtrans-48.7-38.4178.1-33.336000114.4L82 L86 Q124 L125 Q130L82-P122 HydrophobicContact CB-CB 4.34Å; L82-P122 HydrophobicContact CB-CG 3.87Å; L82-P122 HydrophobicContact CD1-CB 4.17Å; L82-P122 HydrophobicContact CD1-CG 4.06Å; L86-P122 WeakPolarHBondContact O-CD 3.36Å; P122-Q124 PolarHBondContact O-N 2.84Å; P122-Q124 VanDerWaalsContact O-N 3.15Å; P122-L125 PolarHBondContact O-N 3.16Å; P122-L125 VanDerWaalsContact O-N 3.11Å; P122-Q130 PolarHBondContact O-NE2 2.86Å
123A96.7Very high96.6Very high101 Ų10150.8 Ų50.884%0.83529%0.289SS*.G310 helixtrans-65-15.317800000114.5F121F121-A123 PolarHBondContact O-N 3.26Å
124Q97.5Very high96.6Very high112 Ų11248 Ų4852%0.52326%0.26SS..G310 helixtrans-99.6-1.8178.6-56.8173.8-62.100112.6N120 F121 P122N120-Q124 HydrophobicContact CB-CB 4.24Å; F121-Q124 HydrophobicContact CB-CG 4.5Å; F121-Q124 WeakPolarHBondContact O-CA 3.32Å; F121-Q124 WeakPolarHBondContact O-CB 3.44Å; F121-Q124 PolarHBondContact O-N 2.88Å; P122-Q124 PolarHBondContact O-N 2.84Å; P122-Q124 VanDerWaalsContact O-N 3.15Å
125L96.3Very high96.6Very high11 Ų1148 Ų486%0.05826%0.26CS..SBendtrans-105.8140.5-177.5-63.3178.5000110.4A88 R117 N120 P122 E129 Q130 V133A88-L125 HydrophobicContact CB-CD1 4.28Å; R117-L125 HydrophobicContact CB-CD2 4.07Å; R117-L125 HydrophobicContact CG-CD2 4.47Å; N120-L125 HydrophobicContact CB-CD2 3.64Å; N120-L125 HydrophobicContact CB-CG 4.12Å; P122-L125 PolarHBondContact O-N 3.16Å; P122-L125 VanDerWaalsContact O-N 3.11Å; L125-E129 HydrophobicContact CB-CB 3.84Å; L125-E129 HydrophobicContact CD2-CB 4.04Å; L125-E129 HydrophobicContact CG-CB 4.37Å; L125-Q130 HydrophobicContact CB-CG 3.69Å; L125-Q130 HydrophobicContact CD1-CG 4.46Å; L125-Q130 PolarHBondContact O-NE2 3.36Å; L125-V133 HydrophobicContact CD1-CG2 3.7Å
126S94.7Very high96.6Very high62 Ų6247 Ų4743%0.43425%0.251SS..  trans-61.3162.6167.362.60000111.5G128 E129 Q130S126-G128 VanDerWaalsContact C-N 3.26Å; S126-G128 PolarHBondContact O-N 3.39Å; S126-E129 WeakPolarHBondContact CB-OE2 3.5Å; S126-E129 PolarHBondContact N-OE2 2.86Å; S126-E129 PolarHBondContact O-N 3.02Å; S126-E129 VanDerWaalsContact O-N 3.11Å; S126-E129 WeakPolarHBondContact OG-CB 3.39Å; S126-E129 VanDerWaalsContact OG-CD 3.31Å; S126-E129 VanDerWaalsContact OG-CG 3.26Å; S126-E129 WeakPolarHBondContact OG-CG 3.45Å; S126-E129 PolarHBondContact OG-N 2.85Å; S126-E129 PolarHBondContact OG-OE2 3.25Å; S126-Q130 WeakPolarHBondContact O-CG 3.41Å; S126-Q130 PolarHBondContact O-N 3.15Å
127G93.1Very high96.6Very high26 Ų2640.2 Ų40.227%0.26822%0.217SC..Hα-helixtrans-56.3-39.8177.100000113Y80 Q130 Q131 L155Y80-G127 WeakPolarHBondContact OH-CA 3.37Å; G127-Q130 PolarHBondContact O-N 3.13Å; G127-Q131 WeakPolarHBondContact O-CB 3.4Å; G127-Q131 PolarHBondContact O-N 2.62Å; G127-L155 VanDerWaalsContact C-CD2 3.45Å
128G94.4Very high96.5Very high4 Ų435 Ų354%0.04120%0.198CC..Hα-helixtrans-64.8-43.3174.600000113.1S126 Q131 R132 T159S126-G128 VanDerWaalsContact C-N 3.26Å; S126-G128 PolarHBondContact O-N 3.39Å; G128-Q131 PolarHBondContact O-N 2.77Å; G128-R132 WeakPolarHBondContact O-CG 3.43Å; G128-R132 PolarHBondContact O-N 2.93Å; G128-T159 VanDerWaalsContact CA-CG2 3.4Å
129E96.3Very high96.4Very high26 Ų2633.9 Ų33.912%0.12119%0.193CC..Hα-helixtrans-63.8-42.9174.9-73.9164.1138.200111.3L114 R117 L125 S126 Q131 R132 V133L114-E129 HydrophobicContact CD2-CB 3.91Å; L114-E129 HydrophobicContact CD2-CG 3.82Å; R117-E129 IonicContact CZ-OE1 3.87Å; R117-E129 IonicContact NE-OE1 4Å; R117-E129 PolarHBondContact NE-OE1 2.92Å; L125-E129 HydrophobicContact CB-CB 3.84Å; L125-E129 HydrophobicContact CD2-CB 4.04Å; L125-E129 HydrophobicContact CG-CB 4.37Å; S126-E129 WeakPolarHBondContact CB-OE2 3.5Å; S126-E129 PolarHBondContact N-OE2 2.86Å; S126-E129 PolarHBondContact O-N 3.02Å; S126-E129 VanDerWaalsContact O-N 3.11Å; S126-E129 WeakPolarHBondContact OG-CB 3.39Å; S126-E129 VanDerWaalsContact OG-CD 3.31Å; S126-E129 VanDerWaalsContact OG-CG 3.26Å; S126-E129 WeakPolarHBondContact OG-CG 3.45Å; S126-E129 PolarHBondContact OG-N 2.85Å; S126-E129 PolarHBondContact OG-OE2 3.25Å; E129-Q131 VanDerWaalsContact C-N 3.33Å; E129-Q131 PolarHBondContact O-N 2.75Å; E129-R132 PolarHBondContact O-N 2.77Å; E129-R132 VanDerWaalsContact O-N 3.11Å; E129-V133 WeakPolarHBondContact O-CG2 3.31Å; E129-V133 PolarHBondContact O-N 2.99Å
130Q96.6Very high96.3Very high40 Ų4028.4 Ų28.419%0.18716%0.163CC..Hα-helixtrans-59.7-43.8174.6-69.4-1774800111.3Y80 L82 P122 L125 S126 G127 R132 V133 T134Y80-Q130 HydrophobicContact CD1-CB 4.34Å; Y80-Q130 HydrophobicContact CD2-CB 3.9Å; Y80-Q130 HydrophobicContact CE2-CB 4.17Å; Y80-Q130 HydrophobicContact CG-CB 4.01Å; L82-Q130 HydrophobicContact CD1-CB 3.96Å; L82-Q130 HydrophobicContact CD1-CG 4.14Å; P122-Q130 PolarHBondContact O-NE2 2.86Å; L125-Q130 HydrophobicContact CB-CG 3.69Å; L125-Q130 HydrophobicContact CD1-CG 4.46Å; L125-Q130 PolarHBondContact O-NE2 3.36Å; S126-Q130 WeakPolarHBondContact O-CG 3.41Å; S126-Q130 PolarHBondContact O-N 3.15Å; G127-Q130 PolarHBondContact O-N 3.13Å; Q130-R132 VanDerWaalsContact C-N 3.29Å; Q130-R132 PolarHBondContact O-N 2.77Å; Q130-V133 WeakPolarHBondContact O-CB 3.46Å; Q130-V133 PolarHBondContact O-N 2.98Å; Q130-V133 VanDerWaalsContact O-N 3.13Å; Q130-T134 WeakPolarHBondContact O-CG2 3.33Å; Q130-T134 PolarHBondContact O-N 3.03Å; Q130-T134 VanDerWaalsContact O-N 3.07Å
131Q95.9Very high96.2Very high1 Ų128.2 Ų28.21%0.00516%0.161CC..Hα-helixtrans-62.2-35.8175.1-170.167-0.300112.4Y80 G127 G128 E129 T134 I135 P151 L155 I163Y80-Q131 HydrophobicContact CD1-CB 4.3Å; Y80-Q131 HydrophobicContact CE1-CB 4Å; Y80-Q131 VanDerWaalsContact CE1-OE1 3.29Å; G127-Q131 WeakPolarHBondContact O-CB 3.4Å; G127-Q131 PolarHBondContact O-N 2.62Å; G128-Q131 PolarHBondContact O-N 2.77Å; E129-Q131 VanDerWaalsContact C-N 3.33Å; E129-Q131 PolarHBondContact O-N 2.75Å; Q131-T134 PolarHBondContact O-N 3.45Å; Q131-T134 PolarHBondContact O-OG1 2.77Å; Q131-T134 PolarHBondContact OE1-OG1 3.25Å; Q131-I135 HydrophobicContact CG-CD1 4.33Å; Q131-I135 WeakPolarHBondContact O-CG1 3.47Å; Q131-I135 PolarHBondContact O-N 3.2Å; Q131-P151 PolarHBondContact NE2-O 2.92Å; Q131-P151 VanDerWaalsContact NE2-O 3.08Å; Q131-L155 HydrophobicContact CB-CD1 4.27Å; Q131-L155 HydrophobicContact CG-CD1 4.23Å; Q131-I163 HydrophobicContact CB-CD1 3.89Å; Q131-I163 HydrophobicContact CB-CG1 4.36Å; Q131-I163 HydrophobicContact CG-CD1 3.74Å; Q131-I163 HydrophobicContact CG-CG1 3.96Å; Q131-I163 HydrophobicContact CG-CG2 4.08Å
132R96.4Very high96Very high32 Ų3230.2 Ų30.212%0.12117%0.166CC..Hα-helixtrans-68-35.4173.8-68.9-170.2-51.8-103.11.6112.2V112 L114 G128 E129 Q130 T134 I135 A136 I163 I166V112-R132 HydrophobicContact CB-CB 4.15Å; V112-R132 HydrophobicContact CG2-CB 4.07Å; V112-R132 WeakPolarHBondContact O-CD 3.41Å; V112-R132 PolarHBondContact O-NE 3Å; L114-R132 HydrophobicContact CD1-CB 3.65Å; L114-R132 HydrophobicContact CG-CB 4.03Å; G128-R132 WeakPolarHBondContact O-CG 3.43Å; G128-R132 PolarHBondContact O-N 2.93Å; E129-R132 PolarHBondContact O-N 2.77Å; E129-R132 VanDerWaalsContact O-N 3.11Å; Q130-R132 VanDerWaalsContact C-N 3.29Å; Q130-R132 PolarHBondContact O-N 2.77Å; R132-T134 VanDerWaalsContact C-N 3.3Å; R132-T134 PolarHBondContact O-N 2.92Å; R132-I135 PolarHBondContact O-N 3.46Å; R132-A136 WeakPolarHBondContact O-CB 3.33Å; R132-A136 PolarHBondContact O-N 2.98Å; R132-I163 HydrophobicContact CG-CD1 3.41Å; R132-I163 VanDerWaalsContact CG-CD1 3.41Å; R132-I166 HydrophobicContact CG-CD1 3.78Å
133V97.4Very high95.9Very high0 Ų030 Ų300%017%0.165CC..Hα-helixtrans-61.7-39.9171.8-1790000110.9L82 A88 N91 V92 L114 L125 E129 Q130 A136 R137L82-V133 HydrophobicContact CD1-CB 4.04Å; L82-V133 HydrophobicContact CD1-CG1 4.12Å; L82-V133 HydrophobicContact CD2-CB 4.11Å; L82-V133 HydrophobicContact CD2-CG1 3.58Å; A88-V133 HydrophobicContact CB-CG1 4.24Å; A88-V133 HydrophobicContact CB-CG2 3.6Å; N91-V133 HydrophobicContact CB-CG1 4Å; V92-V133 HydrophobicContact CG2-CG1 4.4Å; L114-V133 HydrophobicContact CD1-CB 4.31Å; L114-V133 HydrophobicContact CD1-CG2 3.46Å; L114-V133 VanDerWaalsContact CD1-CG2 3.46Å; L125-V133 HydrophobicContact CD1-CG2 3.7Å; E129-V133 WeakPolarHBondContact O-CG2 3.31Å; E129-V133 PolarHBondContact O-N 2.99Å; Q130-V133 WeakPolarHBondContact O-CB 3.46Å; Q130-V133 PolarHBondContact O-N 2.98Å; Q130-V133 VanDerWaalsContact O-N 3.13Å; V133-A136 PolarHBondContact O-N 3.03Å; V133-R137 WeakPolarHBondContact O-CB 3.48Å; V133-R137 PolarHBondContact O-N 3.11Å
134T96.2Very high95.9Very high0 Ų029.7 Ų29.70%014%0.144CC..Hα-helixtrans-70.4-38.3-178.865.70000112.1Y80 L82 Q130 Q131 R132 R137 A138Y80-T134 WeakPolarHBondContact O-CG2 3.35Å; L82-T134 HydrophobicContact CD1-CG2 4.38Å; L82-T134 HydrophobicContact CD2-CG2 3.58Å; L82-T134 HydrophobicContact CG-CG2 3.85Å; Q130-T134 WeakPolarHBondContact O-CG2 3.33Å; Q130-T134 PolarHBondContact O-N 3.03Å; Q130-T134 VanDerWaalsContact O-N 3.07Å; Q131-T134 PolarHBondContact O-N 3.45Å; Q131-T134 PolarHBondContact O-OG1 2.77Å; Q131-T134 PolarHBondContact OE1-OG1 3.25Å; R132-T134 VanDerWaalsContact C-N 3.3Å; R132-T134 PolarHBondContact O-N 2.92Å; T134-R137 PolarHBondContact O-N 3.15Å; T134-A138 PolarHBondContact O-N 2.82Å
135I96.7Very high95.9Very high0 Ų025.1 Ų25.10%012%0.124CC..Hα-helixtrans-62.2-49.1170.6-66.1164.9000109.8V76 V112 Q131 R132 R137 A138 L139 I163 I166 L167V76-I135 HydrophobicContact CG1-CG1 4.01Å; V76-I135 HydrophobicContact CG2-CG1 3.88Å; V112-I135 HydrophobicContact CG1-CG2 4.27Å; Q131-I135 HydrophobicContact CG-CD1 4.33Å; Q131-I135 WeakPolarHBondContact O-CG1 3.47Å; Q131-I135 PolarHBondContact O-N 3.2Å; R132-I135 PolarHBondContact O-N 3.46Å; I135-R137 VanDerWaalsContact C-N 3.31Å; I135-R137 PolarHBondContact O-N 3.48Å; I135-A138 WeakPolarHBondContact O-CA 3.34Å; I135-A138 WeakPolarHBondContact O-CB 3.36Å; I135-A138 PolarHBondContact O-N 3.26Å; I135-L139 HydrophobicContact CG2-CD1 3.71Å; I135-L139 HydrophobicContact CG2-CG 4.01Å; I135-L139 VanDerWaalsContact O-CG 3.31Å; I135-L139 WeakPolarHBondContact O-CG 3.09Å; I135-L139 PolarHBondContact O-N 3.31Å; I135-I163 HydrophobicContact CD1-CD1 4.08Å; I135-I163 HydrophobicContact CD1-CG2 3.83Å; I135-I166 HydrophobicContact CG2-CG2 3.81Å; I135-L167 HydrophobicContact CD1-CD2 4.28Å; I135-L167 HydrophobicContact CG1-CD2 4.37Å
136A97.1Very high95.9Very high0 Ų024.6 Ų24.60%012%0.121CC..Hα-helixtrans-56.5-44.9177.100000112.2V92 V108 L109 V112 R132 V133 A138 L139 A140V92-A136 HydrophobicContact CG2-CB 3.81Å; V108-A136 HydrophobicContact CG1-CB 3.74Å; V108-A136 WeakPolarHBondContact CG1-O 3.39Å; L109-A136 HydrophobicContact CD2-CB 3.96Å; L109-A136 HydrophobicContact CG-CB 4.46Å; V112-A136 HydrophobicContact CG1-CB 4.34Å; V112-A136 HydrophobicContact CG2-CB 3.86Å; R132-A136 WeakPolarHBondContact O-CB 3.33Å; R132-A136 PolarHBondContact O-N 2.98Å; V133-A136 PolarHBondContact O-N 3.03Å; A136-A138 VanDerWaalsContact C-N 3.28Å; A136-A138 PolarHBondContact O-N 3.06Å; A136-L139 PolarHBondContact O-N 2.81Å; A136-A140 WeakPolarHBondContact O-CB 2.86Å; A136-A140 PolarHBondContact O-N 3.07Å
137R96.2Very high96.1Very high41 Ų4121.6 Ų21.616%0.15510%0.1CC..Hα-helixtrans-59.4-39.1175.4-177.7-177.463-167.5-5.1112.2Y80 N81 N91 V92 A95 V133 T134 I135Y80-R137 PolarHBondContact O-NH2 3.19Å; N81-R137 PolarHBondContact O-NH1 2.97Å; N91-R137 WeakPolarHBondContact O-CD 3.46Å; N91-R137 WeakPolarHBondContact O-CG 3.37Å; V92-R137 HydrophobicContact CG2-CB 4.37Å; A95-R137 HydrophobicContact CB-CG 3.58Å; A95-R137 VanDerWaalsContact CB-O 3.25Å; A95-R137 WeakPolarHBondContact CB-O 3.28Å; V133-R137 WeakPolarHBondContact O-CB 3.48Å; V133-R137 PolarHBondContact O-N 3.11Å; T134-R137 PolarHBondContact O-N 3.15Å; I135-R137 VanDerWaalsContact C-N 3.31Å; I135-R137 PolarHBondContact O-N 3.48Å
138A96.3Very high96.3Very high4 Ų420.4 Ų20.43%0.0339%0.087CC..Hα-helixtrans-70.3-42.9177.100000112V76 T134 I135 A136 P143 L146V76-A138 HydrophobicContact CG2-CB 4.03Å; T134-A138 PolarHBondContact O-N 2.82Å; I135-A138 WeakPolarHBondContact O-CA 3.34Å; I135-A138 WeakPolarHBondContact O-CB 3.36Å; I135-A138 PolarHBondContact O-N 3.26Å; A136-A138 VanDerWaalsContact C-N 3.28Å; A136-A138 PolarHBondContact O-N 3.06Å; A138-P143 WeakPolarHBondContact O-CD 3.49Å; A138-P143 WeakPolarHBondContact O-CG 3.32Å; A138-L146 HydrophobicContact CB-CD1 3.51Å
139L95.9Very high96.4Very high9 Ų921.4 Ų21.45%0.0479%0.092CC..Hα-helixtrans-69.8-32.7-179.6-67.5-178.2000113.4V108 V112 I135 A136 K141 R142 L146 T170V108-L139 HydrophobicContact CG1-CB 3.94Å; V112-L139 HydrophobicContact CG1-CD1 4.37Å; I135-L139 HydrophobicContact CG2-CD1 3.71Å; I135-L139 HydrophobicContact CG2-CG 4.01Å; I135-L139 VanDerWaalsContact O-CG 3.31Å; I135-L139 WeakPolarHBondContact O-CG 3.09Å; I135-L139 PolarHBondContact O-N 3.31Å; A136-L139 PolarHBondContact O-N 2.81Å; L139-K141 PolarHBondContact O-N 2.89Å; L139-R142 PolarHBondContact O-N 2.86Å; L139-L146 HydrophobicContact CD2-CD2 4.01Å; L139-T170 HydrophobicContact CD2-CG2 3.46Å; L139-T170 VanDerWaalsContact CD2-CG2 3.46Å
140A96.2Very high96.3Very high0 Ų020.9 Ų20.90%09%0.09CC..THydrogen-bonded Turntrans-56-21.3-177.600000113.8V92 A102 M103 V108 A136V92-A140 HydrophobicContact CG1-CB 3.67Å; A102-A140 CarbonylContact C-O 3.58Å; A102-A140 WeakPolarHBondContact CA-O 3.4Å; M103-A140 PolarHBondContact N-O 3.44Å; V108-A140 HydrophobicContact CG2-CB 4.21Å; A136-A140 WeakPolarHBondContact O-CB 2.86Å; A136-A140 PolarHBondContact O-N 3.07Å
141K94.5Very high96.1Very high28 Ų2819.2 Ų19.212%0.1228%0.082CC..THydrogen-bonded Turntrans-86.9-3.3177.6-52.6-168-49.51690115.4R69 R70 V73 A95 I98 V99 L139R69-K141 PolarHBondContact O-NZ 2.87Å; R70-K141 WeakPolarHBondContact O-CE 3.26Å; R70-K141 PolarHBondContact O-NZ 2.81Å; R70-K141 VanDerWaalsContact O-NZ 3.08Å; V73-K141 WeakPolarHBondContact O-CE 3.31Å; V73-K141 PolarHBondContact O-NZ 2.81Å; A95-K141 HydrophobicContact CB-CD 4.23Å; A95-K141 HydrophobicContact CB-CG 3.99Å; I98-K141 HydrophobicContact CD1-CD 4.25Å; V99-K141 HydrophobicContact CG1-CB 4.28Å; V99-K141 HydrophobicContact CG1-CD 4.44Å; V99-K141 HydrophobicContact CG1-CG 4.45Å; V99-K141 HydrophobicContact CG2-CB 4.35Å; V99-K141 HydrophobicContact CG2-CG 4.46Å; L139-K141 PolarHBondContact O-N 2.89Å
142R94.2Very high96Very high129 Ų12920.1 Ų20.149%0.4879%0.088SC..  trans52.955.9-169.7-54.9-178-178.7-831.7112.9D101 M103 L139D101-R142 VanDerWaalsContact O-CD 3.28Å; D101-R142 WeakPolarHBondContact O-CD 3.38Å; D101-R142 PolarHBondContact O-NE 3.03Å; D101-R142 VanDerWaalsContact O-NE 3.13Å; D101-R142 IonicContact OD1-NE 3.28Å; D101-R142 IonicContact OD2-NE 2.76Å; M103-R142 HydrophobicContact CG-CG 3.78Å; M103-R142 HydrophobicContact SD-CG 4.26Å; L139-R142 PolarHBondContact O-N 2.86Å
143P95.7Very high95.5Very high3 Ų320.7 Ų20.72%0.01910%0.104CC..  trans-66145.7-175.331-36.3000111.5G74 A138 L145 T176G74-P143 VanDerWaalsContact N-CB 3.31Å; A138-P143 WeakPolarHBondContact O-CD 3.49Å; A138-P143 WeakPolarHBondContact O-CG 3.32Å; P143-L145 VanDerWaalsContact C-N 3.34Å; P143-T176 HydrophobicContact CG-CG2 4.35Å; P143-T176 WeakPolarHBondContact O-CG2 3.49Å; P143-T176 PolarHBondContact O-OG1 3.29Å
144K95.8Very high94.9Very high95 Ų9523.9 Ų23.941%0.41313%0.13SC..SBendtrans-71.4-35.9165.7-63.1-176.6-173.2163.20111D53 D72 T177D53-K144 HydrophobicContact CB-CD 4.5Å; D53-K144 WeakPolarHBondContact OD2-CE 3.34Å; D53-K144 IonicContact OD2-NZ 3.64Å; D53-K144 PolarHBondContact OD2-NZ 3.45Å; D72-K144 HydrophobicContact CB-CD 4.38Å; D72-K144 PolarHBondContact O-N 3.35Å; D72-K144 WeakPolarHBondContact OD1-CD 3.29Å; D72-K144 WeakPolarHBondContact OD1-CE 3.49Å; D72-K144 IonicContact OD1-NZ 3.71Å; D72-K144 PolarHBondContact OD1-NZ 2.87Å; K144-T177 PolarHBondContact O-N 2.75Å
145L97.5Very high94.6Very high16 Ų1625.4 Ų25.48%0.08414%0.138CC..EExtended strand (participates in β ladder)trans-126.1117.5-175.8-169.965.1000110.3D72 V73 G74 P143 L147 T177 V179D72-L145 PolarHBondContact O-N 3.41Å; V73-L145 CarbonylContact C-O 3.59Å; V73-L145 WeakPolarHBondContact CA-O 3.27Å; G74-L145 PolarHBondContact N-O 2.93Å; P143-L145 VanDerWaalsContact C-N 3.34Å; L145-L147 HydrophobicContact CD1-CD2 4.06Å; L145-L147 HydrophobicContact CD2-CD1 4.11Å; L145-L147 HydrophobicContact CD2-CD2 3.63Å; L145-L147 HydrophobicContact CD2-CG 4Å; L145-L147 HydrophobicContact CG-CD2 3.55Å; L145-L147 HydrophobicContact CG-CG 3.9Å; L145-T177 CarbonylContact C-O 3.51Å; L145-T177 WeakPolarHBondContact CA-O 3.46Å; L145-T177 HydrophobicContact CD1-CG2 3.73Å; L145-V179 HydrophobicContact CD1-CG2 3.68Å
146L98Very high94.4Very high0 Ų029.8 Ų29.80%016%0.161CC..EExtended strand (participates in β ladder)trans-101.8111.9172.4-175.563.3000109.3V76 A138 L139 L167 T170 T176 T177 V178 V179V76-L146 HydrophobicContact CG2-CD1 3.89Å; A138-L146 HydrophobicContact CB-CD1 3.51Å; L139-L146 HydrophobicContact CD2-CD2 4.01Å; L146-L167 HydrophobicContact CD2-CD2 3.58Å; L146-T170 HydrophobicContact CD2-CG2 4.13Å; L146-T176 HydrophobicContact CB-CG2 3.82Å; L146-T177 PolarHBondContact N-O 3.23Å; L146-V178 HydrophobicContact CB-CG2 4.2Å; L146-V178 HydrophobicContact CD2-CG2 4.26Å; L146-V178 CarbonylContact O-C 3.54Å; L146-V178 WeakPolarHBondContact O-CA 2.98Å; L146-V179 PolarHBondContact O-N 3.46Å
147L98.1Very high93.9Very high0 Ų033 Ų330%018%0.176CC..EExtended strand (participates in β ladder)trans-103.1119.2-175.4-63.6-177.3000110.2L36 L39 V73 G74 F75 V76 L145 V179L36-L147 HydrophobicContact CD1-CB 3.85Å; L36-L147 HydrophobicContact CD1-CD2 3.9Å; L36-L147 HydrophobicContact CD1-CG 4.35Å; L36-L147 HydrophobicContact CD2-CB 4.32Å; L36-L147 HydrophobicContact CG-CB 4Å; L39-L147 HydrophobicContact CB-CD1 4.26Å; L39-L147 HydrophobicContact CB-CD2 4.48Å; V73-L147 HydrophobicContact CG1-CD1 3.72Å; V73-L147 HydrophobicContact CG1-CG 4.15Å; G74-L147 PolarHBondContact O-N 3.33Å; F75-L147 WeakPolarHBondContact CA-O 3.42Å; F75-L147 HydrophobicContact CD1-CB 3.78Å; F75-L147 HydrophobicContact CD1-CD1 4.37Å; F75-L147 HydrophobicContact CE1-CB 3.79Å; F75-L147 HydrophobicContact CE1-CD1 3.63Å; F75-L147 HydrophobicContact CE1-CG 4.36Å; F75-L147 HydrophobicContact CE2-CD1 4.37Å; F75-L147 HydrophobicContact CZ-CD1 3.66Å; V76-L147 PolarHBondContact N-O 3.42Å; L145-L147 HydrophobicContact CD1-CD2 4.06Å; L145-L147 HydrophobicContact CD2-CD1 4.11Å; L145-L147 HydrophobicContact CD2-CD2 3.63Å; L145-L147 HydrophobicContact CD2-CG 4Å; L145-L147 HydrophobicContact CG-CD2 3.55Å; L145-L147 HydrophobicContact CG-CG 3.9Å; L147-V179 HydrophobicContact CD2-CB 3.72Å; L147-V179 HydrophobicContact CD2-CG1 4.48Å; L147-V179 HydrophobicContact CD2-CG2 3.91Å
148C97.5Very high93.6Very high0 Ų036.6 Ų36.60%019%0.194CC..EExtended strand (participates in β ladder)trans-119.1115.1-174-55.50000111.2V76 P151 L167 V179 I180 I181V76-C148 HydrophobicContact CB-CB 4.3Å; V76-C148 WeakPolarHBondContact O-CA 3.45Å; C148-P151 HydrophobicContact CB-CB 4.15Å; C148-P151 HydrophobicContact CB-CG 3.92Å; C148-L167 HydrophobicContact CB-CD1 4.48Å; C148-V179 PolarHBondContact N-O 2.86Å; C148-I180 HydrophobicContact CB-CG1 4.12Å; C148-I181 WeakPolarHBondContact O-CG1 3.17Å; C148-I181 PolarHBondContact O-N 3.12Å
149D95.3Very high93.4Very high26 Ų2637.6 Ų37.614%0.13920%0.199CC..EExtended strand (participates in β ladder)trans-92.9104.1173.5-164.1-4.4000110.4S33 L36 V76 Q78 I181S33-D149 PolarHBondContact OG-OD2 2.86Å; L36-D149 HydrophobicContact CD2-CB 3.71Å; V76-D149 PolarHBondContact O-N 3.48Å; Q78-D149 PolarHBondContact N-O 3.21Å; D149-I181 HydrophobicContact CB-CD1 4.15Å; D149-I181 HydrophobicContact CB-CG1 4.22Å; D149-I181 WeakPolarHBondContact OD1-CD1 3.44Å; D149-I181 WeakPolarHBondContact OD1-CG1 3.44Å
150E94Very high93.2Very high15 Ų1537.3 Ų37.37%0.0720%0.199CC..SBendtrans46.956.4177.8-65.5-79.1-167.200112.9Q78 T152 G153 I181 T182 H183Q78-E150 HydrophobicContact CB-CB 4.46Å; Q78-E150 HydrophobicContact CG-CB 4.28Å; E150-T152 PolarHBondContact O-N 3.35Å; E150-G153 PolarHBondContact O-N 2.78Å; E150-I181 WeakPolarHBondContact CA-O 3.23Å; E150-I181 PolarHBondContact N-O 3.12Å; E150-T182 VanDerWaalsContact CD-CA 3.43Å; E150-T182 WeakPolarHBondContact OE1-CA 3.06Å; E150-T182 VanDerWaalsContact OE2-CA 3.29Å; E150-T182 WeakPolarHBondContact OE2-CA 3.33Å; E150-T182 VanDerWaalsContact OE2-CB 3.25Å; E150-T182 WeakPolarHBondContact OE2-CB 3.42Å; E150-T182 PolarHBondContact OE2-OG1 2.86Å; E150-H183 IonicContact OE1-CE1 3.19Å; E150-H183 IonicContact OE1-CG 3.89Å; E150-H183 PolarHBondContact OE1-N 2.81Å; E150-H183 IonicContact OE1-ND1 2.65Å; E150-H183 PolarHBondContact OE1-ND1 3.15Å; E150-H183 IonicContact OE2-CE1 2.89Å; E150-H183 IonicContact OE2-ND1 3.58Å
151P94.1Very high93.1Very high4 Ų438.9 Ų38.93%0.02621%0.206CC..THydrogen-bonded Turntrans-64.7-12.6-167.527.7-36.7000114.5V76 Q131 C148 I163 L164 L167 I180V76-P151 HydrophobicContact CG1-CB 4.38Å; Q131-P151 PolarHBondContact NE2-O 2.92Å; Q131-P151 VanDerWaalsContact NE2-O 3.08Å; C148-P151 HydrophobicContact CB-CB 4.15Å; C148-P151 HydrophobicContact CB-CG 3.92Å; P151-I163 HydrophobicContact CB-CG2 4.22Å; P151-L164 HydrophobicContact CG-CD2 4.47Å; P151-L167 HydrophobicContact CB-CD1 4.15Å; P151-L167 HydrophobicContact CG-CD1 3.96Å; P151-I180 HydrophobicContact CG-CG2 3.84Å
152T92.5Very high93.1Very high21 Ų2142.4 Ų42.413%0.12922%0.223CC..THydrogen-bonded Turntrans-114.20.4178.956.80000113.4E150 A154 L155 G160 I163 L164E150-T152 PolarHBondContact O-N 3.35Å; T152-A154 PolarHBondContact O-N 3.1Å; T152-L155 PolarHBondContact O-N 2.91Å; T152-L155 VanDerWaalsContact O-N 3.08Å; T152-G160 WeakPolarHBondContact CG2-O 3.48Å; T152-I163 HydrophobicContact CG2-CB 4.45Å; T152-I163 HydrophobicContact CG2-CG2 4.37Å; T152-L164 HydrophobicContact CG2-CD1 3.92Å; T152-L164 HydrophobicContact CG2-CD2 4Å; T152-L164 HydrophobicContact CG2-CG 3.65Å
153G87.1Confident93.1Very high44 Ų4436.2 Ų36.245%0.45420%0.2SC..THydrogen-bonded Turntrans-64.3-16-16900000115.7E150E150-G153 PolarHBondContact O-N 2.78Å
154A85.2Confident93.1Very high66 Ų6636.1 Ų36.155%0.54520%0.199SC..THydrogen-bonded Turntrans-115.311.9178.700000113.6T152T152-A154 PolarHBondContact O-N 3.1Å
155L89.9Confident93.2Very high32 Ų3233.9 Ų33.917%0.16819%0.189CC..SBendtrans-116153.4-171.7-54.9179000111.1G127 Q131 T152 T159 I163G127-L155 VanDerWaalsContact C-CD2 3.45Å; Q131-L155 HydrophobicContact CB-CD1 4.27Å; Q131-L155 HydrophobicContact CG-CD1 4.23Å; T152-L155 PolarHBondContact O-N 2.91Å; T152-L155 VanDerWaalsContact O-N 3.08Å; L155-T159 HydrophobicContact CB-CG2 4.31Å; L155-T159 HydrophobicContact CD1-CG2 4.11Å; L155-T159 HydrophobicContact CD2-CG2 4.22Å; L155-T159 HydrophobicContact CG-CG2 4.45Å; L155-I163 HydrophobicContact CD1-CB 4.44Å; L155-I163 HydrophobicContact CD1-CG1 3.55Å
156D90.5Very high93.1Very high93 Ų9334.4 Ų34.450%0.49719%0.192SC..  trans-68.2166.7166.166.888.8000111E158 T159 G160D156-E158 PolarHBondContact O-N 2.88Å; D156-E158 PolarHBondContact OD1-N 3.49Å; D156-E158 VanDerWaalsContact OD1-N 3.13Å; D156-T159 VanDerWaalsContact CG-OG1 3.29Å; D156-T159 PolarHBondContact O-N 3.25Å; D156-T159 PolarHBondContact OD1-N 3.15Å; D156-T159 PolarHBondContact OD1-OG1 3.42Å; D156-T159 VanDerWaalsContact OD2-CB 3.25Å; D156-T159 WeakPolarHBondContact OD2-CB 3.46Å; D156-T159 PolarHBondContact OD2-OG1 3.04Å; D156-G160 PolarHBondContact O-N 3.22Å
157F87.1Confident93Very high68 Ų6834.4 Ų34.430%0.29819%0.192SC..Hα-helixtrans-56.8-47.9-175.5173.6-97.3000113.7G160 K161 W219F157-G160 PolarHBondContact O-N 3.27Å; F157-K161 HydrophobicContact CD1-CD 4.38Å; F157-K161 HydrophobicContact CE1-CD 3.71Å; F157-K161 HydrophobicContact CE2-CD 4.4Å; F157-K161 HydrophobicContact CZ-CD 3.74Å; F157-K161 HydrophobicContact CZ-CG 4.4Å; F157-K161 PolarHBondContact O-N 2.88Å; F157-W219 AromaticContact CD2-CD1 3.46Å; F157-W219 VanDerWaalsContact CD2-CD1 3.46Å; F157-W219 HydrophobicContact CD2-CD2 4.44Å; F157-W219 AromaticContact CD2-CE2 3.8Å; F157-W219 HydrophobicContact CD2-CG 4.2Å; F157-W219 HydrophobicContact CD2-CZ2 4.39Å; F157-W219 AromaticContact CD2-NE1 3.2Å; F157-W219 WeakPolarHBondContact CD2-O 3.46Å; F157-W219 HydrophobicContact CE2-CB 4.4Å; F157-W219 AromaticContact CE2-CD1 3.34Å; F157-W219 AromaticContact CE2-CD2 3.74Å; F157-W219 HydrophobicContact CE2-CD2 3.74Å; F157-W219 AromaticContact CE2-CE2 3.46Å; F157-W219 VanDerWaalsContact CE2-CE2 3.46Å; F157-W219 AromaticContact CE2-CG 3.61Å; F157-W219 HydrophobicContact CE2-CG 3.61Å; F157-W219 HydrophobicContact CE2-CZ2 4.07Å; F157-W219 AromaticContact CE2-NE1 3.27Å; F157-W219 VanDerWaalsContact CE2-NE1 3.27Å; F157-W219 WeakPolarHBondContact CE2-O 3.35Å
158E90.5Very high93Very high115 Ų11534.9 Ų34.954%0.53719%0.194SC..Hα-helixtrans-68.3-45.4-175.9-67.2-59.7146.800110.7D156 G160 K161 Q162D156-E158 PolarHBondContact O-N 2.88Å; D156-E158 PolarHBondContact OD1-N 3.49Å; D156-E158 VanDerWaalsContact OD1-N 3.13Å; E158-G160 VanDerWaalsContact C-N 3.31Å; E158-G160 PolarHBondContact O-N 3.38Å; E158-K161 PolarHBondContact O-N 2.87Å; E158-Q162 WeakPolarHBondContact O-CG 3.43Å; E158-Q162 PolarHBondContact O-N 2.97Å
159T91.2Very high92.9Very high25 Ų2536.9 Ų36.915%0.15320%0.204CC..Hα-helixtrans-62.6-40.6174.3-56.50000111.2G128 L155 D156 K161 Q162 I163G128-T159 VanDerWaalsContact CA-CG2 3.4Å; L155-T159 HydrophobicContact CB-CG2 4.31Å; L155-T159 HydrophobicContact CD1-CG2 4.11Å; L155-T159 HydrophobicContact CD2-CG2 4.22Å; L155-T159 HydrophobicContact CG-CG2 4.45Å; D156-T159 VanDerWaalsContact CG-OG1 3.29Å; D156-T159 PolarHBondContact O-N 3.25Å; D156-T159 PolarHBondContact OD1-N 3.15Å; D156-T159 PolarHBondContact OD1-OG1 3.42Å; D156-T159 VanDerWaalsContact OD2-CB 3.25Å; D156-T159 WeakPolarHBondContact OD2-CB 3.46Å; D156-T159 PolarHBondContact OD2-OG1 3.04Å; T159-K161 PolarHBondContact O-N 2.86Å; T159-Q162 WeakPolarHBondContact O-CB 3.35Å; T159-Q162 PolarHBondContact O-N 3.01Å; T159-I163 WeakPolarHBondContact O-CG1 3.37Å; T159-I163 PolarHBondContact O-N 3.49Å; T159-I163 VanDerWaalsContact O-N 3.09Å
160G93.1Very high92.9Very high4 Ų435.9 Ų35.94%0.04120%0.2CC..Hα-helixtrans-60.4-42.3176.700000112.7T152 D156 F157 E158 Q162 I163 L164T152-G160 WeakPolarHBondContact CG2-O 3.48Å; D156-G160 PolarHBondContact O-N 3.22Å; F157-G160 PolarHBondContact O-N 3.27Å; E158-G160 VanDerWaalsContact C-N 3.31Å; E158-G160 PolarHBondContact O-N 3.38Å; G160-Q162 PolarHBondContact O-N 2.91Å; G160-I163 WeakPolarHBondContact O-CB 3.4Å; G160-I163 PolarHBondContact O-N 2.75Å; G160-L164 WeakPolarHBondContact O-CG 3.42Å; G160-L164 PolarHBondContact O-N 3.16Å
161K93.7Very high93Very high32 Ų3235.3 Ų35.314%0.13920%0.197CC..Hα-helixtrans-60-44.1173.7-82.6-174.3157.3-1720112.7F157 E158 T159 I163 L164 K165 I217 W219F157-K161 HydrophobicContact CD1-CD 4.38Å; F157-K161 HydrophobicContact CE1-CD 3.71Å; F157-K161 HydrophobicContact CE2-CD 4.4Å; F157-K161 HydrophobicContact CZ-CD 3.74Å; F157-K161 HydrophobicContact CZ-CG 4.4Å; F157-K161 PolarHBondContact O-N 2.88Å; E158-K161 PolarHBondContact O-N 2.87Å; T159-K161 PolarHBondContact O-N 2.86Å; K161-I163 VanDerWaalsContact C-N 3.3Å; K161-I163 PolarHBondContact O-N 3.24Å; K161-L164 PolarHBondContact O-N 3.12Å; K161-K165 WeakPolarHBondContact O-CB 3.46Å; K161-K165 PolarHBondContact O-N 3.09Å; K161-I217 WeakPolarHBondContact CE-O 3.36Å; K161-I217 PolarHBondContact NZ-O 3.5Å; K161-W219 HydrophobicContact CG-CH2 3.89Å; K161-W219 HydrophobicContact CG-CZ2 3.87Å
162Q93.3Very high93.1Very high102 Ų10240.3 Ų40.348%0.47722%0.216SC..Hα-helixtrans-60.4-40.8176.6-66.6173.73.800111.9E158 T159 G160 K165 I166E158-Q162 WeakPolarHBondContact O-CG 3.43Å; E158-Q162 PolarHBondContact O-N 2.97Å; T159-Q162 WeakPolarHBondContact O-CB 3.35Å; T159-Q162 PolarHBondContact O-N 3.01Å; G160-Q162 PolarHBondContact O-N 2.91Å; Q162-K165 PolarHBondContact O-N 2.94Å; Q162-I166 WeakPolarHBondContact O-CG1 3.36Å; Q162-I166 PolarHBondContact O-N 3.28Å
163I95.4Very high93.1Very high0 Ų046.3 Ų46.30%024%0.242CC..Hα-helixtrans-62.4-49.5175.5-67.5-53.1000111.5Q131 R132 I135 P151 T152 L155 T159 G160 K161 K165 I166 L167Q131-I163 HydrophobicContact CB-CD1 3.89Å; Q131-I163 HydrophobicContact CB-CG1 4.36Å; Q131-I163 HydrophobicContact CG-CD1 3.74Å; Q131-I163 HydrophobicContact CG-CG1 3.96Å; Q131-I163 HydrophobicContact CG-CG2 4.08Å; R132-I163 HydrophobicContact CG-CD1 3.41Å; R132-I163 VanDerWaalsContact CG-CD1 3.41Å; I135-I163 HydrophobicContact CD1-CD1 4.08Å; I135-I163 HydrophobicContact CD1-CG2 3.83Å; P151-I163 HydrophobicContact CB-CG2 4.22Å; T152-I163 HydrophobicContact CG2-CB 4.45Å; T152-I163 HydrophobicContact CG2-CG2 4.37Å; L155-I163 HydrophobicContact CD1-CB 4.44Å; L155-I163 HydrophobicContact CD1-CG1 3.55Å; T159-I163 WeakPolarHBondContact O-CG1 3.37Å; T159-I163 PolarHBondContact O-N 3.49Å; T159-I163 VanDerWaalsContact O-N 3.09Å; G160-I163 WeakPolarHBondContact O-CB 3.4Å; G160-I163 PolarHBondContact O-N 2.75Å; K161-I163 VanDerWaalsContact C-N 3.3Å; K161-I163 PolarHBondContact O-N 3.24Å; I163-K165 PolarHBondContact O-N 3.11Å; I163-I166 PolarHBondContact O-N 2.83Å; I163-L167 HydrophobicContact CG2-CD1 4.42Å; I163-L167 WeakPolarHBondContact O-CG 3.01Å; I163-L167 PolarHBondContact O-N 3.37Å; I163-L167 VanDerWaalsContact O-N 3.13Å
164L96.4Very high93.1Very high1 Ų148.8 Ų48.81%0.00525%0.245CC..Hα-helixtrans-64.3-31.2179.6-68.5171.3000111.9P151 T152 G160 K161 L167 Q168 I180 I187 M190 I214 W219P151-L164 HydrophobicContact CG-CD2 4.47Å; T152-L164 HydrophobicContact CG2-CD1 3.92Å; T152-L164 HydrophobicContact CG2-CD2 4Å; T152-L164 HydrophobicContact CG2-CG 3.65Å; G160-L164 WeakPolarHBondContact O-CG 3.42Å; G160-L164 PolarHBondContact O-N 3.16Å; K161-L164 PolarHBondContact O-N 3.12Å; L164-L167 HydrophobicContact CD2-CD1 4.38Å; L164-L167 PolarHBondContact O-N 3.13Å; L164-Q168 WeakPolarHBondContact O-CB 3.49Å; L164-Q168 PolarHBondContact O-N 3.32Å; L164-I180 HydrophobicContact CD2-CD1 4Å; L164-I187 HydrophobicContact CD1-CB 4.29Å; L164-I187 HydrophobicContact CD1-CG2 3.58Å; L164-I187 HydrophobicContact CD2-CD1 4.16Å; L164-M190 HydrophobicContact CB-CE 3.96Å; L164-M190 HydrophobicContact CB-SD 4.14Å; L164-M190 HydrophobicContact CD1-SD 4.37Å; L164-M190 HydrophobicContact CD2-CE 4.43Å; L164-M190 HydrophobicContact CD2-SD 4.02Å; L164-M190 HydrophobicContact CG-SD 4.4Å; L164-M190 WeakPolarHBondContact O-CE 3.28Å; L164-I214 HydrophobicContact CB-CB 4.49Å; L164-I214 HydrophobicContact CB-CD1 4.09Å; L164-I214 HydrophobicContact CB-CG1 3.61Å; L164-I214 HydrophobicContact CD1-CD1 3.92Å; L164-I214 HydrophobicContact CD1-CG1 4.14Å; L164-W219 HydrophobicContact CD1-CH2 3.81Å; L164-W219 HydrophobicContact CD1-CZ2 3.96Å
165K96Very high93.5Very high48 Ų4847.2 Ų47.221%0.20924%0.235CC..Hα-helixtrans-63-47.8174.3-177.163.1166.574.80110.9K161 Q162 I163 L167 Q168 D169 I214 E215K161-K165 WeakPolarHBondContact O-CB 3.46Å; K161-K165 PolarHBondContact O-N 3.09Å; Q162-K165 PolarHBondContact O-N 2.94Å; I163-K165 PolarHBondContact O-N 3.11Å; K165-L167 VanDerWaalsContact C-N 3.26Å; K165-L167 PolarHBondContact O-N 3.05Å; K165-Q168 PolarHBondContact O-N 3.4Å; K165-D169 IonicContact NZ-OD1 2.66Å; K165-D169 PolarHBondContact NZ-OD1 3.2Å; K165-D169 IonicContact NZ-OD2 2.64Å; K165-D169 PolarHBondContact NZ-OD2 3.13Å; K165-D169 WeakPolarHBondContact O-CB 3.02Å; K165-D169 PolarHBondContact O-N 2.93Å; K165-I214 VanDerWaalsContact CA-CG2 3.49Å; K165-I214 HydrophobicContact CB-CG2 3.59Å; K165-I214 HydrophobicContact CD-CG2 3.78Å; K165-I214 HydrophobicContact CG-CG2 4.27Å; K165-E215 HydrophobicContact CD-CG 4.06Å; K165-E215 WeakPolarHBondContact CE-OE1 3.29Å; K165-E215 VanDerWaalsContact CE-OE2 3.26Å; K165-E215 WeakPolarHBondContact CE-OE2 3.34Å
166I95.9Very high93.8Very high27 Ų2746.2 Ų46.214%0.13823%0.23CC..Hα-helixtrans-58.2-41.2176-64.9163.4000111V112 R132 I135 Q162 I163 T170V112-I166 HydrophobicContact CB-CD1 4.3Å; V112-I166 HydrophobicContact CG1-CG2 4.02Å; R132-I166 HydrophobicContact CG-CD1 3.78Å; I135-I166 HydrophobicContact CG2-CG2 3.81Å; Q162-I166 WeakPolarHBondContact O-CG1 3.36Å; Q162-I166 PolarHBondContact O-N 3.28Å; I163-I166 PolarHBondContact O-N 2.83Å; I166-T170 VanDerWaalsContact O-CB 3.3Å; I166-T170 WeakPolarHBondContact O-CB 3.36Å; I166-T170 PolarHBondContact O-N 3.42Å; I166-T170 PolarHBondContact O-OG1 3.34Å
167L97.2Very high94.2Very high0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-67.1-42.8177.7-65.8179.7000112.1I135 L146 C148 P151 I163 L164 K165 T170 A171 V178 I180I135-L167 HydrophobicContact CD1-CD2 4.28Å; I135-L167 HydrophobicContact CG1-CD2 4.37Å; L146-L167 HydrophobicContact CD2-CD2 3.58Å; C148-L167 HydrophobicContact CB-CD1 4.48Å; P151-L167 HydrophobicContact CB-CD1 4.15Å; P151-L167 HydrophobicContact CG-CD1 3.96Å; I163-L167 HydrophobicContact CG2-CD1 4.42Å; I163-L167 WeakPolarHBondContact O-CG 3.01Å; I163-L167 PolarHBondContact O-N 3.37Å; I163-L167 VanDerWaalsContact O-N 3.13Å; L164-L167 HydrophobicContact CD2-CD1 4.38Å; L164-L167 PolarHBondContact O-N 3.13Å; K165-L167 VanDerWaalsContact C-N 3.26Å; K165-L167 PolarHBondContact O-N 3.05Å; L167-T170 WeakPolarHBondContact O-CB 3.37Å; L167-T170 PolarHBondContact O-N 2.94Å; L167-A171 PolarHBondContact O-N 3.39Å; L167-V178 HydrophobicContact CB-CG1 4.25Å; L167-I180 HydrophobicContact CD1-CD1 3.84Å; L167-I180 HydrophobicContact CD1-CG1 4.19Å
168Q97Very high94.7Very high10 Ų1039.2 Ų39.25%0.04720%0.197CC..Hα-helixtrans-63.6-48175.9-172173.154.300111.1L164 K165 T170 A171 R172 M190 Q212 I214L164-Q168 WeakPolarHBondContact O-CB 3.49Å; L164-Q168 PolarHBondContact O-N 3.32Å; K165-Q168 PolarHBondContact O-N 3.4Å; Q168-T170 VanDerWaalsContact C-N 3.31Å; Q168-T170 PolarHBondContact O-N 3.05Å; Q168-A171 WeakPolarHBondContact O-CB 3.4Å; Q168-A171 PolarHBondContact O-N 3.09Å; Q168-A171 VanDerWaalsContact O-N 3.11Å; Q168-R172 WeakPolarHBondContact O-CG 3.18Å; Q168-R172 PolarHBondContact O-N 2.91Å; Q168-M190 HydrophobicContact CB-CE 3.85Å; Q168-M190 HydrophobicContact CG-CE 4.49Å; Q168-M190 PolarHBondContact NE2-O 2.97Å; Q168-Q212 PolarHBondContact NE2-O 3.46Å; Q168-I214 VanDerWaalsContact OE1-N 3.11Å
169D95.7Very high95.1Very high41 Ų4133.8 Ų33.822%0.21917%0.171CC..Hα-helixtrans-61.1-40.8178-66.4-16.5000111.2K165 A171 R172 E173K165-D169 IonicContact NZ-OD1 2.66Å; K165-D169 PolarHBondContact NZ-OD1 3.2Å; K165-D169 IonicContact NZ-OD2 2.64Å; K165-D169 PolarHBondContact NZ-OD2 3.13Å; K165-D169 WeakPolarHBondContact O-CB 3.02Å; K165-D169 PolarHBondContact O-N 2.93Å; D169-A171 VanDerWaalsContact C-N 3.27Å; D169-A171 PolarHBondContact O-N 3.29Å; D169-R172 PolarHBondContact O-N 3.45Å; D169-R172 VanDerWaalsContact O-N 3.13Å; D169-E173 VanDerWaalsContact O-CB 3.28Å; D169-E173 WeakPolarHBondContact O-CB 3.4Å; D169-E173 WeakPolarHBondContact O-CG 3.43Å; D169-E173 PolarHBondContact O-N 2.73Å
170T95.3Very high95.5Very high6 Ų632.6 Ų32.64%0.03716%0.164CC..Hα-helixtrans-54.1-44.6174.2-67.40000111.7L139 L146 I166 L167 Q168 N174 T176 V178L139-T170 HydrophobicContact CD2-CG2 3.46Å; L139-T170 VanDerWaalsContact CD2-CG2 3.46Å; L146-T170 HydrophobicContact CD2-CG2 4.13Å; I166-T170 VanDerWaalsContact O-CB 3.3Å; I166-T170 WeakPolarHBondContact O-CB 3.36Å; I166-T170 PolarHBondContact O-N 3.42Å; I166-T170 PolarHBondContact O-OG1 3.34Å; L167-T170 WeakPolarHBondContact O-CB 3.37Å; L167-T170 PolarHBondContact O-N 2.94Å; Q168-T170 VanDerWaalsContact C-N 3.31Å; Q168-T170 PolarHBondContact O-N 3.05Å; T170-N174 WeakPolarHBondContact O-CB 3.34Å; T170-N174 PolarHBondContact O-N 3.27Å; T170-N174 VanDerWaalsContact O-N 3.12Å; T170-T176 HydrophobicContact CG2-CG2 4.16Å; T170-V178 HydrophobicContact CG2-CG2 4.3Å
171A96.7Very high95.6Very high3 Ų332.4 Ų32.43%0.02516%0.162CC..Hα-helixtrans-67.4-43.6178.500000111.9V21 L167 Q168 D169 G175 T176 V178V21-A171 HydrophobicContact CG2-CB 3.44Å; V21-A171 VanDerWaalsContact CG2-CB 3.44Å; L167-A171 PolarHBondContact O-N 3.39Å; Q168-A171 WeakPolarHBondContact O-CB 3.4Å; Q168-A171 PolarHBondContact O-N 3.09Å; Q168-A171 VanDerWaalsContact O-N 3.11Å; D169-A171 VanDerWaalsContact C-N 3.27Å; D169-A171 PolarHBondContact O-N 3.29Å; A171-G175 VanDerWaalsContact O-CA 3.3Å; A171-G175 WeakPolarHBondContact O-CA 3.45Å; A171-G175 PolarHBondContact O-N 3.02Å; A171-G175 VanDerWaalsContact O-N 3.16Å; A171-T176 VanDerWaalsContact CA-O 3.29Å; A171-T176 WeakPolarHBondContact CA-O 3.25Å; A171-V178 HydrophobicContact CB-CG2 3.89Å
172R94.6Very high95.7Very high108 Ų10830.9 Ų30.941%0.40816%0.155SC..Hα-helixtrans-73.9-39.2-175.8-61.3-58.1178.9-110.32.2113.8Q168 D169 D192Q168-R172 WeakPolarHBondContact O-CG 3.18Å; Q168-R172 PolarHBondContact O-N 2.91Å; D169-R172 PolarHBondContact O-N 3.45Å; D169-R172 VanDerWaalsContact O-N 3.13Å; R172-D192 IonicContact CZ-OD1 3.91Å; R172-D192 IonicContact CZ-OD2 3.73Å; R172-D192 VanDerWaalsContact CZ-OD2 3.28Å; R172-D192 IonicContact NH1-OD1 3.86Å; R172-D192 PolarHBondContact NH1-OD1 3.37Å; R172-D192 IonicContact NH1-OD2 3.56Å; R172-D192 PolarHBondContact NH1-OD2 2.91Å; R172-D192 IonicContact NH2-OD1 3.66Å; R172-D192 PolarHBondContact NH2-OD1 2.89Å; R172-D192 IonicContact NH2-OD2 2.8Å; R172-D192 PolarHBondContact NH2-OD2 2.88Å
173E92.6Very high95.7Very high148 Ų14831.5 Ų31.569%0.69216%0.158SC*.Hα-helixtrans-90.1-39.9-174-62.6-177.7174.500112.4D169D169-E173 VanDerWaalsContact O-CB 3.28Å; D169-E173 WeakPolarHBondContact O-CB 3.4Å; D169-E173 WeakPolarHBondContact O-CG 3.43Å; D169-E173 PolarHBondContact O-N 2.73Å
174N88.8Confident95.5Very high96 Ų9633.7 Ų33.751%0.51317%0.17SC..Hα-helixtrans-100.7-11.8-175.3-58.8-30.6000113.4T170 T176T170-N174 WeakPolarHBondContact O-CB 3.34Å; T170-N174 PolarHBondContact O-N 3.27Å; T170-N174 VanDerWaalsContact O-N 3.12Å; N174-T176 PolarHBondContact O-N 3.41Å
175G93.2Very high95.3Very high32 Ų3237.1 Ų37.133%0.3319%0.194SC..  trans68.217.1-175.800000113.9A171A171-G175 VanDerWaalsContact O-CA 3.3Å; A171-G175 WeakPolarHBondContact O-CA 3.45Å; A171-G175 PolarHBondContact O-N 3.02Å; A171-G175 VanDerWaalsContact O-N 3.16Å
176T96.4Very high95.2Very high12 Ų1236.1 Ų36.17%0.07420%0.195CC..  trans-71.8132.2172.9-66.80000109.3P143 L146 T170 A171 N174 V178P143-T176 HydrophobicContact CG-CG2 4.35Å; P143-T176 WeakPolarHBondContact O-CG2 3.49Å; P143-T176 PolarHBondContact O-OG1 3.29Å; L146-T176 HydrophobicContact CB-CG2 3.82Å; T170-T176 HydrophobicContact CG2-CG2 4.16Å; A171-T176 VanDerWaalsContact CA-O 3.29Å; A171-T176 WeakPolarHBondContact CA-O 3.25Å; N174-T176 PolarHBondContact O-N 3.41Å; T176-V178 PolarHBondContact O-N 2.96Å
177T98.3Very high95.1Very high14 Ų1434.9 Ų34.99%0.08619%0.188CC..EExtended strand (participates in β ladder)trans-74.1127.3171.4-63.50000109.2I16 E17 K18 G19 K144 L145 L146 V179I16-T177 HydrophobicContact CG2-CG2 3.49Å; I16-T177 VanDerWaalsContact CG2-CG2 3.49Å; E17-T177 PolarHBondContact O-OG1 2.66Å; K18-T177 WeakPolarHBondContact CA-OG1 3.44Å; G19-T177 PolarHBondContact N-OG1 2.69Å; K144-T177 PolarHBondContact O-N 2.75Å; L145-T177 CarbonylContact C-O 3.51Å; L145-T177 WeakPolarHBondContact CA-O 3.46Å; L145-T177 HydrophobicContact CD1-CG2 3.73Å; L146-T177 PolarHBondContact N-O 3.23Å; T177-V179 HydrophobicContact CG2-CG2 4.4Å
178V98.4Very high95Very high0 Ų035.5 Ų35.50%019%0.193CC..EExtended strand (participates in β ladder)trans-112.1127-178.8-179.60000109.3E20 V21 A22 L146 L167 T170 A171 T176 I180E20-V178 PolarHBondContact O-N 3.45Å; V21-V178 CarbonylContact C-O 3.49Å; V21-V178 WeakPolarHBondContact CA-O 3.37Å; V21-V178 HydrophobicContact CG2-CB 4.45Å; A22-V178 PolarHBondContact N-O 3.36Å; L146-V178 HydrophobicContact CB-CG2 4.2Å; L146-V178 HydrophobicContact CD2-CG2 4.26Å; L146-V178 CarbonylContact O-C 3.54Å; L146-V178 WeakPolarHBondContact O-CA 2.98Å; L167-V178 HydrophobicContact CB-CG1 4.25Å; T170-V178 HydrophobicContact CG2-CG2 4.3Å; A171-V178 HydrophobicContact CB-CG2 3.89Å; T176-V178 PolarHBondContact O-N 2.96Å; V178-I180 HydrophobicContact CG1-CD1 4.34Å; V178-I180 HydrophobicContact CG1-CG1 4Å
179V98.4Very high94.9Very high0 Ų037.1 Ų37.10%021%0.205CC..EExtended strand (participates in β ladder)trans-119.9115.2176.9-171.50000109.1I16 A22 I24 L36 L145 L146 L147 C148 T177I16-V179 HydrophobicContact CD1-CG1 4.16Å; I16-V179 HydrophobicContact CD1-CG2 3.71Å; A22-V179 CarbonylContact O-C 3.56Å; A22-V179 WeakPolarHBondContact O-CA 3.18Å; I24-V179 HydrophobicContact CD1-CG1 3.8Å; I24-V179 HydrophobicContact CG1-CG1 4.09Å; L36-V179 HydrophobicContact CD1-CG1 4.33Å; L145-V179 HydrophobicContact CD1-CG2 3.68Å; L146-V179 PolarHBondContact O-N 3.46Å; L147-V179 HydrophobicContact CD2-CB 3.72Å; L147-V179 HydrophobicContact CD2-CG1 4.48Å; L147-V179 HydrophobicContact CD2-CG2 3.91Å; C148-V179 PolarHBondContact N-O 2.86Å; T177-V179 HydrophobicContact CG2-CG2 4.4Å
180I98Very high95Very high0 Ų035.1 Ų35.10%019%0.194CC..EExtended strand (participates in β ladder)trans-108.3120.6179.3-57.7170.9000108.1V21 A22 V23 I24 C148 P151 L164 L167 V178 I187V21-I180 HydrophobicContact CG1-CD1 4.32Å; A22-I180 PolarHBondContact O-N 3.15Å; V23-I180 CarbonylContact C-O 3.53Å; V23-I180 VanDerWaalsContact CA-O 3.3Å; V23-I180 WeakPolarHBondContact CA-O 3.2Å; V23-I180 HydrophobicContact CG2-CB 4.31Å; I24-I180 PolarHBondContact N-O 2.81Å; C148-I180 HydrophobicContact CB-CG1 4.12Å; P151-I180 HydrophobicContact CG-CG2 3.84Å; L164-I180 HydrophobicContact CD2-CD1 4Å; L167-I180 HydrophobicContact CD1-CD1 3.84Å; L167-I180 HydrophobicContact CD1-CG1 4.19Å; V178-I180 HydrophobicContact CG1-CD1 4.34Å; V178-I180 HydrophobicContact CG1-CG1 4Å; I180-I187 HydrophobicContact CG2-CD1 4.01Å
181I96.9Very high95.1Very high0 Ų034.9 Ų34.90%019%0.192CC..EExtended strand (participates in β ladder)trans-93.6131.4165.860.8166000109.2I24 K32 L36 C148 D149 E150I24-I181 HydrophobicContact CB-CB 4.44Å; I24-I181 HydrophobicContact CB-CG2 3.66Å; I24-I181 HydrophobicContact CD1-CG2 3.95Å; I24-I181 HydrophobicContact CG1-CG2 4.17Å; I24-I181 HydrophobicContact CG2-CG2 4.18Å; I24-I181 WeakPolarHBondContact O-CA 3.26Å; K32-I181 HydrophobicContact CB-CB 4Å; K32-I181 HydrophobicContact CB-CD1 3.9Å; K32-I181 HydrophobicContact CB-CG2 4.11Å; K32-I181 HydrophobicContact CD-CB 4.42Å; L36-I181 HydrophobicContact CB-CD1 4.01Å; L36-I181 HydrophobicContact CB-CG2 4.39Å; L36-I181 HydrophobicContact CD1-CG1 4.35Å; L36-I181 HydrophobicContact CD1-CG2 3.93Å; L36-I181 HydrophobicContact CD2-CD1 4.04Å; L36-I181 HydrophobicContact CD2-CG1 4.18Å; L36-I181 HydrophobicContact CG-CD1 4.46Å; C148-I181 WeakPolarHBondContact O-CG1 3.17Å; C148-I181 PolarHBondContact O-N 3.12Å; D149-I181 HydrophobicContact CB-CD1 4.15Å; D149-I181 HydrophobicContact CB-CG1 4.22Å; D149-I181 WeakPolarHBondContact OD1-CD1 3.44Å; D149-I181 WeakPolarHBondContact OD1-CG1 3.44Å; E150-I181 WeakPolarHBondContact CA-O 3.23Å; E150-I181 PolarHBondContact N-O 3.12Å
182T95.2Very high95.1Very high1 Ų136 Ų361%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-153.6163.9175-170.10000113.1V23 I24 L25 G26 E150 N184 I187V23-T182 HydrophobicContact CG1-CG2 3.96Å; I24-T182 PolarHBondContact O-N 2.98Å; L25-T182 WeakPolarHBondContact CA-O 3.42Å; L25-T182 HydrophobicContact CD2-CG2 3.52Å; G26-T182 PolarHBondContact N-O 3.2Å; E150-T182 VanDerWaalsContact CD-CA 3.43Å; E150-T182 WeakPolarHBondContact OE1-CA 3.06Å; E150-T182 VanDerWaalsContact OE2-CA 3.29Å; E150-T182 WeakPolarHBondContact OE2-CA 3.33Å; E150-T182 VanDerWaalsContact OE2-CB 3.25Å; E150-T182 WeakPolarHBondContact OE2-CB 3.42Å; E150-T182 PolarHBondContact OE2-OG1 2.86Å; T182-N184 HydrophobicContact CG2-CB 4.43Å; T182-N184 WeakPolarHBondContact CG2-O 3.39Å; T182-N184 PolarHBondContact OG1-N 2.89Å; T182-I187 HydrophobicContact CG2-CD1 3.59Å; T182-I187 HydrophobicContact CG2-CG1 3.98Å
183H93Very high95.3Very high114 Ų11431.7 Ų31.753%0.52818%0.182SC..SBendtrans-97.4-9.7163.266.4-77000112.7G26 E150 S185G26-H183 WeakPolarHBondContact O-CB 3.33Å; E150-H183 IonicContact OE1-CE1 3.19Å; E150-H183 IonicContact OE1-CG 3.89Å; E150-H183 PolarHBondContact OE1-N 2.81Å; E150-H183 IonicContact OE1-ND1 2.65Å; E150-H183 PolarHBondContact OE1-ND1 3.15Å; E150-H183 IonicContact OE2-CE1 2.89Å; E150-H183 IonicContact OE2-ND1 3.58Å; H183-S185 PolarHBondContact O-N 2.66Å
184N91.5Very high95.6Very high46 Ų4625 Ų2525%0.24615%0.151CC..  trans-79.498.6178.1-176-0.6000110.7T182 A186T182-N184 HydrophobicContact CG2-CB 4.43Å; T182-N184 WeakPolarHBondContact CG2-O 3.39Å; T182-N184 PolarHBondContact OG1-N 2.89Å; N184-A186 PolarHBondContact O-N 3.08Å; N184-A186 VanDerWaalsContact O-N 3.17Å; N184-A186 WeakPolarHBondContact OD1-CB 3.5Å; N184-A186 PolarHBondContact OD1-N 3.22Å
185S92.9Very high96Very high74 Ų7420.4 Ų20.452%0.51713%0.127SC..G310 helixtrans-67-13.6178.758.50000114.1H183 I187 A188H183-S185 PolarHBondContact O-N 2.66Å; S185-I187 PolarHBondContact O-N 2.7Å; S185-A188 WeakPolarHBondContact O-CB 3.41Å; S185-A188 PolarHBondContact O-N 3.15Å
186A92.2Very high96.2Very high27 Ų2723 Ų2322%0.22313%0.126CC..G310 helixtrans-72.3-19.3-174.300000113.5N184 A188 P189 W219N184-A186 PolarHBondContact O-N 3.08Å; N184-A186 VanDerWaalsContact O-N 3.17Å; N184-A186 WeakPolarHBondContact OD1-CB 3.5Å; N184-A186 PolarHBondContact OD1-N 3.22Å; A186-A188 VanDerWaalsContact C-N 3.31Å; A186-P189 VanDerWaalsContact O-CD 3.26Å; A186-P189 WeakPolarHBondContact O-CD 3.48Å; A186-W219 HydrophobicContact CB-CB 3.23Å; A186-W219 HydrophobicContact CB-CD2 3.8Å; A186-W219 HydrophobicContact CB-CE3 4.01Å; A186-W219 HydrophobicContact CB-CG 3.44Å; A186-W219 VanDerWaalsContact CB-CG 3.44Å
187I93.6Very high96.2Very high0 Ų022.5 Ų22.50%012%0.123CC..G310 helixtrans-81.3-12174.777.2170.3000112.5V23 L164 I180 T182 S185 P189 M190 W219V23-I187 HydrophobicContact CG1-CD1 4.13Å; V23-I187 HydrophobicContact CG1-CG1 4.13Å; V23-I187 HydrophobicContact CG2-CD1 4.22Å; V23-I187 HydrophobicContact CG2-CG1 4.38Å; L164-I187 HydrophobicContact CD1-CB 4.29Å; L164-I187 HydrophobicContact CD1-CG2 3.58Å; L164-I187 HydrophobicContact CD2-CD1 4.16Å; I180-I187 HydrophobicContact CG2-CD1 4.01Å; T182-I187 HydrophobicContact CG2-CD1 3.59Å; T182-I187 HydrophobicContact CG2-CG1 3.98Å; S185-I187 PolarHBondContact O-N 2.7Å; I187-P189 VanDerWaalsContact C-N 3.29Å; I187-P189 VanDerWaalsContact O-N 3.12Å; I187-M190 HydrophobicContact CB-SD 4.08Å; I187-M190 HydrophobicContact CD1-SD 4.48Å; I187-M190 WeakPolarHBondContact O-CB 3.33Å; I187-M190 WeakPolarHBondContact O-CG 3.18Å; I187-M190 PolarHBondContact O-N 3.32Å; I187-W219 HydrophobicContact CG2-CE3 4.42Å; I187-W219 HydrophobicContact CG2-CH2 3.92Å; I187-W219 HydrophobicContact CG2-CZ2 4.02Å; I187-W219 HydrophobicContact CG2-CZ3 4.06Å
188A95.5Very high95.9Very high13 Ų1325 Ų2511%0.10714%0.136CC..G310 helixtrans-49.6-38.9-175.900000114.9L25 S185 A186 M190 A191 V194L25-A188 HydrophobicContact CD1-CB 4.03Å; S185-A188 WeakPolarHBondContact O-CB 3.41Å; S185-A188 PolarHBondContact O-N 3.15Å; A186-A188 VanDerWaalsContact C-N 3.31Å; A188-M190 PolarHBondContact O-N 3.28Å; A188-M190 VanDerWaalsContact O-N 3.13Å; A188-A191 WeakPolarHBondContact O-CB 3.47Å; A188-A191 PolarHBondContact O-N 3.27Å; A188-A191 VanDerWaalsContact O-N 3.11Å; A188-V194 HydrophobicContact CB-CG1 4.44Å; A188-V194 HydrophobicContact CB-CG2 4.06Å
189P96.3Very high95.4Very high44 Ų4430 Ų3029%0.28616%0.163SC..G310 helixtrans-64-16.9180-20.232.7000114.6A186 I187 A191 N208 Q212 I217A186-P189 VanDerWaalsContact O-CD 3.26Å; A186-P189 WeakPolarHBondContact O-CD 3.48Å; I187-P189 VanDerWaalsContact C-N 3.29Å; I187-P189 VanDerWaalsContact O-N 3.12Å; P189-A191 VanDerWaalsContact C-N 3.32Å; P189-N208 PolarHBondContact O-ND2 2.87Å; P189-Q212 HydrophobicContact CB-CB 4.49Å; P189-Q212 HydrophobicContact CB-CG 4.32Å; P189-Q212 PolarHBondContact O-N 2.77Å; P189-I217 HydrophobicContact CB-CD1 3.83Å; P189-I217 HydrophobicContact CB-CG1 4.42Å; P189-I217 HydrophobicContact CG-CD1 4.35Å; P189-I217 HydrophobicContact CG-CG2 4.49Å
190M96.2Very high95Very high0 Ų030.4 Ų30.40%017%0.166CC..G310 helixtrans-78-19.4177.289-177.5-8200113.3V21 L164 Q168 I187 A188 P211 Q212 I214 I217V21-M190 HydrophobicContact CG1-CE 4.48Å; L164-M190 HydrophobicContact CB-CE 3.96Å; L164-M190 HydrophobicContact CB-SD 4.14Å; L164-M190 HydrophobicContact CD1-SD 4.37Å; L164-M190 HydrophobicContact CD2-CE 4.43Å; L164-M190 HydrophobicContact CD2-SD 4.02Å; L164-M190 HydrophobicContact CG-SD 4.4Å; L164-M190 WeakPolarHBondContact O-CE 3.28Å; Q168-M190 HydrophobicContact CB-CE 3.85Å; Q168-M190 HydrophobicContact CG-CE 4.49Å; Q168-M190 PolarHBondContact NE2-O 2.97Å; I187-M190 HydrophobicContact CB-SD 4.08Å; I187-M190 HydrophobicContact CD1-SD 4.48Å; I187-M190 WeakPolarHBondContact O-CB 3.33Å; I187-M190 WeakPolarHBondContact O-CG 3.18Å; I187-M190 PolarHBondContact O-N 3.32Å; A188-M190 PolarHBondContact O-N 3.28Å; A188-M190 VanDerWaalsContact O-N 3.13Å; M190-P211 WeakPolarHBondContact O-CB 3.18Å; M190-Q212 WeakPolarHBondContact CA-O 3.2Å; M190-I214 HydrophobicContact CB-CD1 3.89Å; M190-I214 HydrophobicContact CE-CB 4.35Å; M190-I214 HydrophobicContact CE-CD1 4.2Å; M190-I214 HydrophobicContact CE-CG1 4.43Å; M190-I214 HydrophobicContact CG-CD1 4.28Å; M190-I214 HydrophobicContact SD-CD1 3.53Å; M190-I214 VanDerWaalsContact SD-CD1 3.53Å; M190-I214 HydrophobicContact SD-CG1 4.33Å; M190-I217 HydrophobicContact CB-CD1 3.72Å
191A97.8Very high94.8Very high0 Ų033.1 Ų33.10%018%0.179CC..  trans-84.5145.2-170.300000110.6V21 V23 A188 P189 R193 V194 N208V21-A191 CarbonylContact O-C 3.47Å; V21-A191 WeakPolarHBondContact O-CA 3.39Å; V21-A191 WeakPolarHBondContact O-CB 3.32Å; V23-A191 HydrophobicContact CB-CB 3.99Å; V23-A191 HydrophobicContact CG2-CB 3.52Å; A188-A191 WeakPolarHBondContact O-CB 3.47Å; A188-A191 PolarHBondContact O-N 3.27Å; A188-A191 VanDerWaalsContact O-N 3.11Å; P189-A191 VanDerWaalsContact C-N 3.32Å; A191-R193 VanDerWaalsContact C-N 3.3Å; A191-R193 WeakPolarHBondContact CB-O 3.49Å; A191-V194 HydrophobicContact CB-CG2 4Å; A191-N208 WeakPolarHBondContact O-CB 3.48Å; A191-N208 PolarHBondContact O-ND2 2.68Å
192D98.1Very high94.7Very high28 Ų2834.8 Ų34.815%0.1519%0.189CC..SBendtrans-70.2-33.4164.4-57.8-81.6000110.9E20 V21 R172 N208 P211E20-D192 HydrophobicContact CB-CB 3.97Å; E20-D192 HydrophobicContact CG-CB 3.84Å; V21-D192 PolarHBondContact N-OD2 3.46Å; V21-D192 PolarHBondContact O-N 3.09Å; R172-D192 IonicContact CZ-OD1 3.91Å; R172-D192 IonicContact CZ-OD2 3.73Å; R172-D192 VanDerWaalsContact CZ-OD2 3.28Å; R172-D192 IonicContact NH1-OD1 3.86Å; R172-D192 PolarHBondContact NH1-OD1 3.37Å; R172-D192 IonicContact NH1-OD2 3.56Å; R172-D192 PolarHBondContact NH1-OD2 2.91Å; R172-D192 IonicContact NH2-OD1 3.66Å; R172-D192 PolarHBondContact NH2-OD1 2.89Å; R172-D192 IonicContact NH2-OD2 2.8Å; R172-D192 PolarHBondContact NH2-OD2 2.88Å; D192-N208 PolarHBondContact O-N 2.93Å; D192-P211 HydrophobicContact CB-CG 4.37Å; D192-P211 VanDerWaalsContact OD1-CG 3.28Å; D192-P211 WeakPolarHBondContact OD1-CG 3.48Å
193R98Very high94.7Very high16 Ų1640.8 Ų40.86%0.0621%0.212CC..EExtended strand (participates in β ladder)trans-138134.7-178.4-172.3178.3-57.5-90.6-4.8111.8S15 E20 V21 A22 V23 A191 I195 E205 E206 L207S15-R193 WeakPolarHBondContact O-CD 3.46Å; S15-R193 PolarHBondContact O-NE 2.94Å; E20-R193 IonicContact OE1-CZ 3.99Å; E20-R193 IonicContact OE1-NE 3.06Å; E20-R193 IonicContact OE1-NH2 2.86Å; E20-R193 PolarHBondContact OE1-NH2 3.41Å; E20-R193 IonicContact OE2-CZ 3.5Å; E20-R193 IonicContact OE2-NE 3.94Å; E20-R193 PolarHBondContact OE2-NE 3.37Å; E20-R193 IonicContact OE2-NH2 3.4Å; E20-R193 PolarHBondContact OE2-NH2 3.09Å; V21-R193 PolarHBondContact O-N 3.12Å; A22-R193 CarbonylContact C-O 3.57Å; A22-R193 WeakPolarHBondContact CA-O 3.42Å; A22-R193 HydrophobicContact CB-CB 4.34Å; V23-R193 PolarHBondContact N-O 2.77Å; A191-R193 VanDerWaalsContact C-N 3.3Å; A191-R193 WeakPolarHBondContact CB-O 3.49Å; R193-I195 HydrophobicContact CG-CG1 4.21Å; R193-E205 HydrophobicContact CG-CG 4.34Å; R193-E205 IonicContact CZ-OE1 3.72Å; R193-E205 IonicContact NE-OE1 2.88Å; R193-E205 IonicContact NH1-OE1 2.75Å; R193-E205 PolarHBondContact NH1-OE1 3.47Å; R193-E206 WeakPolarHBondContact CA-O 3.31Å; R193-L207 HydrophobicContact CB-CD2 4.45Å; R193-L207 VanDerWaalsContact CZ-CD2 3.41Å
194V98.2Very high94.8Very high8 Ų837 Ų375%0.04820%0.198CC..EExtended strand (participates in β ladder)trans-118119.3175.9-176.90000109.3V23 L25 A188 A191 R196 E205 E206V23-V194 WeakPolarHBondContact O-CA 3.43Å; L25-V194 HydrophobicContact CD1-CG1 3.63Å; L25-V194 HydrophobicContact CG-CG1 4.2Å; A188-V194 HydrophobicContact CB-CG1 4.44Å; A188-V194 HydrophobicContact CB-CG2 4.06Å; A191-V194 HydrophobicContact CB-CG2 4Å; V194-R196 HydrophobicContact CG1-CG 4.38Å; V194-E205 WeakPolarHBondContact O-CA 3.46Å; V194-E206 HydrophobicContact CB-CB 4.47Å; V194-E206 PolarHBondContact N-O 3.05Å; V194-E206 PolarHBondContact O-N 2.81Å
195I98Very high95.1Very high0 Ų038.4 Ų38.40%020%0.203CC..EExtended strand (participates in β ladder)trans-111.6120.5178.3-61.5156000107.8F14 I16 V23 I24 L25 R193 I197 V202 E205F14-I195 HydrophobicContact CB-CD1 3.93Å; F14-I195 HydrophobicContact CB-CG1 4.25Å; F14-I195 HydrophobicContact CB-CG2 4.38Å; F14-I195 HydrophobicContact CD1-CD1 4.43Å; F14-I195 HydrophobicContact CD1-CG2 4.34Å; F14-I195 HydrophobicContact CD2-CD1 3.45Å; F14-I195 VanDerWaalsContact CD2-CD1 3.45Å; F14-I195 HydrophobicContact CE2-CD1 4.03Å; F14-I195 HydrophobicContact CG-CD1 3.69Å; F14-I195 HydrophobicContact CG-CG1 4.44Å; F14-I195 HydrophobicContact CG-CG2 4.4Å; I16-I195 HydrophobicContact CD1-CD1 4.2Å; I16-I195 HydrophobicContact CG1-CD1 4.09Å; V23-I195 PolarHBondContact O-N 3.3Å; I24-I195 CarbonylContact C-O 3.59Å; I24-I195 VanDerWaalsContact CA-O 3.27Å; I24-I195 WeakPolarHBondContact CA-O 3.01Å; I24-I195 HydrophobicContact CG1-CB 4.27Å; I24-I195 HydrophobicContact CG1-CD1 4.21Å; L25-I195 PolarHBondContact N-O 3.07Å; R193-I195 HydrophobicContact CG-CG1 4.21Å; I195-I197 HydrophobicContact CG2-CG1 4.28Å; I195-V202 HydrophobicContact CG2-CG1 3.99Å; I195-V202 HydrophobicContact CG2-CG2 4.16Å; I195-E205 HydrophobicContact CG1-CG 4.25Å
196R97.7Very high95.3Very high86 Ų8638.9 Ų38.933%0.32520%0.197SC..EExtended strand (participates in β ladder)trans-100.8119.2179.4-58.2-174.4-168.4-86.6-4.4110L25 V194 V202 R203 S204 E206L25-R196 HydrophobicContact CB-CG 4.47Å; L25-R196 CarbonylContact O-C 3.42Å; L25-R196 WeakPolarHBondContact O-CA 3.26Å; V194-R196 HydrophobicContact CG1-CG 4.38Å; R196-V202 CarbonylContact O-C 3.56Å; R196-R203 PolarHBondContact O-N 3.14Å; R196-S204 WeakPolarHBondContact CD-OG 3.25Å; R196-S204 WeakPolarHBondContact CG-OG 3.15Å; R196-S204 PolarHBondContact N-O 3.43Å; R196-E206 IonicContact NE-OE1 2.77Å; R196-E206 PolarHBondContact NE-OE1 3.09Å; R196-E206 IonicContact NH2-OE1 3.42Å; R196-E206 IonicContact NH2-OE2 2.62Å; R196-E206 PolarHBondContact NH2-OE2 3.46Å
197I96Very high95.5Very high2 Ų242.8 Ų42.81%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-107.3130.7175.8-58.9-176.7000109.7I12 I24 L25 G26 A30 V35 I195 Q201 V202I12-I197 HydrophobicContact CD1-CD1 4.18Å; I12-I197 HydrophobicContact CD1-CG1 4.47Å; I12-I197 HydrophobicContact CD1-CG2 4.22Å; I24-I197 HydrophobicContact CG2-CD1 3.42Å; I24-I197 VanDerWaalsContact CG2-CD1 3.42Å; I24-I197 HydrophobicContact CG2-CG1 3.79Å; L25-I197 PolarHBondContact O-N 3.31Å; G26-I197 VanDerWaalsContact CA-O 3.26Å; G26-I197 WeakPolarHBondContact CA-O 3.08Å; A30-I197 HydrophobicContact CB-CG2 4.22Å; A30-I197 WeakPolarHBondContact O-CG2 3.29Å; V35-I197 HydrophobicContact CG2-CD1 3.98Å; I195-I197 HydrophobicContact CG2-CG1 4.28Å; I197-Q201 VanDerWaalsContact CA-O 3.31Å; I197-Q201 WeakPolarHBondContact CA-O 3.33Å; I197-V202 HydrophobicContact CG1-CG2 4.31Å
198N92.2Very high95.6Very high65 Ų6545 Ų4535%0.34823%0.226SC..EExtended strand (participates in β ladder)trans-147.7143.2170.4-166.718.4000110.3A200 Q201 R203N198-A200 VanDerWaalsContact C-N 3.33Å; N198-A200 PolarHBondContact O-N 2.86Å; N198-Q201 PolarHBondContact N-O 3.42Å; N198-Q201 PolarHBondContact O-N 3.2Å; N198-Q201 VanDerWaalsContact O-N 3.11Å; N198-Q201 VanDerWaalsContact O-O 3.1Å; N198-R203 HydrophobicContact CB-CG 3.74Å; N198-R203 PolarHBondContact O-NE 3.12Å; N198-R203 VanDerWaalsContact O-NE 3.16Å
199D88.8Confident95.5Very high106 Ų10651 Ų5157%0.56726%0.256SS*.THydrogen-bonded Turntrans46.152.5-173.2-46.9-53.1000113.1Q201 R203D199-Q201 PolarHBondContact O-N 3.19Å; D199-R203 IonicContact OD2-NH2 2.88Å; D199-R203 PolarHBondContact OD2-NH2 2.73Å
200A88.7Confident95.5Very high9 Ų956.4 Ų56.47%0.07428%0.277CS..THydrogen-bonded Turntrans62.510.3179.100000115.4A8 N9 E10 I12 N198A8-A200 WeakPolarHBondContact O-CB 3.48Å; N9-A200 CarbonylContact C-O 3.53Å; E10-A200 HydrophobicContact CB-CB 4.47Å; E10-A200 PolarHBondContact N-O 3.08Å; I12-A200 WeakPolarHBondContact CD1-O 3.26Å; N198-A200 VanDerWaalsContact C-N 3.33Å; N198-A200 PolarHBondContact O-N 2.86Å
201Q93.2Very high95.4Very high57 Ų5758.2 Ų58.227%0.26629%0.289SS..EExtended strand (participates in β ladder)trans-126.4148.1-176.5-66-179.6-9.400111.9E10 I197 N198 D199 R203E10-Q201 HydrophobicContact CB-CG 4.17Å; E10-Q201 WeakPolarHBondContact O-CG 3.43Å; E10-Q201 PolarHBondContact OE2-NE2 3.27Å; I197-Q201 VanDerWaalsContact CA-O 3.31Å; I197-Q201 WeakPolarHBondContact CA-O 3.33Å; N198-Q201 PolarHBondContact N-O 3.42Å; N198-Q201 PolarHBondContact O-N 3.2Å; N198-Q201 VanDerWaalsContact O-N 3.11Å; N198-Q201 VanDerWaalsContact O-O 3.1Å; D199-Q201 PolarHBondContact O-N 3.19Å; Q201-R203 PolarHBondContact O-N 2.97Å
202V95.1Very high95.3Very high35 Ų3562.8 Ų62.821%0.21231%0.31CS..EExtended strand (participates in β ladder)trans-72.2123.5167.4179.60000108.3I12 F14 I195 R196 I197I12-V202 HydrophobicContact CB-CG2 4.48Å; I12-V202 HydrophobicContact CD1-CG2 3.8Å; I12-V202 HydrophobicContact CG2-CG2 3.93Å; F14-V202 HydrophobicContact CD1-CG2 4.13Å; I195-V202 HydrophobicContact CG2-CG1 3.99Å; I195-V202 HydrophobicContact CG2-CG2 4.16Å; R196-V202 CarbonylContact O-C 3.56Å; I197-V202 HydrophobicContact CG1-CG2 4.31Å
203R95.8Very high95.1Very high127 Ų12763 Ų6348%0.47931%0.313SS..EExtended strand (participates in β ladder)trans-98.4-36.4-179.9-60.5-55-170.2-173.43.1112.5R196 N198 D199 Q201R196-R203 PolarHBondContact O-N 3.14Å; N198-R203 HydrophobicContact CB-CG 3.74Å; N198-R203 PolarHBondContact O-NE 3.12Å; N198-R203 VanDerWaalsContact O-NE 3.16Å; D199-R203 IonicContact OD2-NH2 2.88Å; D199-R203 PolarHBondContact OD2-NH2 2.73Å; Q201-R203 PolarHBondContact O-N 2.97Å
204S96.1Very high94.9Very high35 Ų3562.2 Ų62.225%0.24531%0.311CS..EExtended strand (participates in β ladder)trans-151.1156.1171.7690000111.1R196 E206R196-S204 WeakPolarHBondContact CD-OG 3.25Å; R196-S204 WeakPolarHBondContact CG-OG 3.15Å; R196-S204 PolarHBondContact N-O 3.43Å; S204-E206 PolarHBondContact OG-OE1 3.35Å
205E96.5Very high94.5Very high74 Ų7467.7 Ų67.735%0.34634%0.336SS..EExtended strand (participates in β ladder)trans-134.3119.9171.3-179.9176.8178.600106.4R193 V194 I195R193-E205 HydrophobicContact CG-CG 4.34Å; R193-E205 IonicContact CZ-OE1 3.72Å; R193-E205 IonicContact NE-OE1 2.88Å; R193-E205 IonicContact NH1-OE1 2.75Å; R193-E205 PolarHBondContact NH1-OE1 3.47Å; V194-E205 WeakPolarHBondContact O-CA 3.46Å; I195-E205 HydrophobicContact CG1-CG 4.25Å
206E97.1Very high94.1Very high85 Ų8573.5 Ų73.540%0.39737%0.367SS..EExtended strand (participates in β ladder)trans-123.9129.4-173.5-69.6156.1-13500108.7R193 V194 R196 S204R193-E206 WeakPolarHBondContact CA-O 3.31Å; V194-E206 HydrophobicContact CB-CB 4.47Å; V194-E206 PolarHBondContact N-O 3.05Å; V194-E206 PolarHBondContact O-N 2.81Å; R196-E206 IonicContact NE-OE1 2.77Å; R196-E206 PolarHBondContact NE-OE1 3.09Å; R196-E206 IonicContact NH2-OE1 3.42Å; R196-E206 IonicContact NH2-OE2 2.62Å; R196-E206 PolarHBondContact NH2-OE2 3.46Å; S204-E206 PolarHBondContact OG-OE1 3.35Å
207L97.5Very high93.5Very high108 Ų10869.8 Ų69.857%0.56535%0.353SS*.EExtended strand (participates in β ladder)trans-90137.1170.2-81.9174.4000109.7R193R193-L207 HydrophobicContact CB-CD2 4.45Å; R193-L207 VanDerWaalsContact CZ-CD2 3.41Å
208N95.8Very high92.6Very high47 Ų4778.1 Ų78.125%0.25139%0.392SS..  trans-111.5105.1175.4-177.85.2000109.2P189 A191 D192 H210 P211P189-N208 PolarHBondContact O-ND2 2.87Å; A191-N208 WeakPolarHBondContact O-CB 3.48Å; A191-N208 PolarHBondContact O-ND2 2.68Å; D192-N208 PolarHBondContact O-N 2.93Å; N208-H210 PolarHBondContact O-N 3.43Å; N208-H210 VanDerWaalsContact OD1-C 3.26Å; N208-H210 PolarHBondContact OD1-N 3.46Å; N208-H210 VanDerWaalsContact OD1-N 3.15Å; N208-H210 PolarHBondContact OD1-O 3.06Å; N208-P211 WeakPolarHBondContact ND2-CA 3.37Å; N208-P211 WeakPolarHBondContact O-CD 2.98Å
209D93.5Very high91.5Very high138 Ų13880.4 Ų80.474%0.73840%0.396SS*.SBendtrans-66-19.9-178.9-62.5-41.2000112.9
210H94.7Very high91.6Very high158 Ų15879.1 Ų79.173%0.73139%0.387SS*.SBendtrans-136.570.4-176.2-57.5-44.7000111.9N208 Q212N208-H210 PolarHBondContact O-N 3.43Å; N208-H210 VanDerWaalsContact OD1-C 3.26Å; N208-H210 PolarHBondContact OD1-N 3.46Å; N208-H210 VanDerWaalsContact OD1-N 3.15Å; N208-H210 PolarHBondContact OD1-O 3.06Å; H210-Q212 PolarHBondContact O-N 2.7Å
211P95.6Very high91.8Very high38 Ų3882.8 Ų82.825%0.24740%0.404CS..PPolyproline II helixtrans-57.5127175.8-19.632.5000110.8M190 D192 N208M190-P211 WeakPolarHBondContact O-CB 3.18Å; D192-P211 HydrophobicContact CB-CG 4.37Å; D192-P211 VanDerWaalsContact OD1-CG 3.28Å; D192-P211 WeakPolarHBondContact OD1-CG 3.48Å; N208-P211 WeakPolarHBondContact ND2-CA 3.37Å; N208-P211 WeakPolarHBondContact O-CD 2.98Å
212Q95.1Very high91.7Very high96 Ų9684.2 Ų84.245%0.44941%0.412SS..PPolyproline II helixtrans-75.9148.7-179.4-63.9-178.3-7.900110.2Q168 P189 M190 H210 I214 I217Q168-Q212 PolarHBondContact NE2-O 3.46Å; P189-Q212 HydrophobicContact CB-CB 4.49Å; P189-Q212 HydrophobicContact CB-CG 4.32Å; P189-Q212 PolarHBondContact O-N 2.77Å; M190-Q212 WeakPolarHBondContact CA-O 3.2Å; H210-Q212 PolarHBondContact O-N 2.7Å; Q212-I214 PolarHBondContact O-N 2.71Å; Q212-I217 HydrophobicContact CB-CD1 4.21Å; Q212-I217 HydrophobicContact CB-CG1 4.02Å
213S94.1Very high91.5Very high32 Ų3287.1 Ų87.122%0.22442%0.423CS..PPolyproline II helixtrans-60.3135.7164.9179.80000107.9E215 D216S213-E215 PolarHBondContact O-N 2.97Å; S213-E215 VanDerWaalsContact O-N 3.08Å; S213-E215 PolarHBondContact OG-N 3.09Å; S213-E215 PolarHBondContact OG-OE2 2.95Å; S213-D216 WeakPolarHBondContact CB-OD2 3.48Å; S213-D216 WeakPolarHBondContact O-CB 3.43Å; S213-D216 PolarHBondContact O-N 3.31Å
214I93.1Very high91.2Very high0 Ų084.6 Ų84.60%042%0.42CS..THydrogen-bonded Turntrans-58.8-24.2177.2-166.262.4000113.1L164 K165 Q168 M190 Q212 D216 I217 W219L164-I214 HydrophobicContact CB-CB 4.49Å; L164-I214 HydrophobicContact CB-CD1 4.09Å; L164-I214 HydrophobicContact CB-CG1 3.61Å; L164-I214 HydrophobicContact CD1-CD1 3.92Å; L164-I214 HydrophobicContact CD1-CG1 4.14Å; K165-I214 VanDerWaalsContact CA-CG2 3.49Å; K165-I214 HydrophobicContact CB-CG2 3.59Å; K165-I214 HydrophobicContact CD-CG2 3.78Å; K165-I214 HydrophobicContact CG-CG2 4.27Å; Q168-I214 VanDerWaalsContact OE1-N 3.11Å; M190-I214 HydrophobicContact CB-CD1 3.89Å; M190-I214 HydrophobicContact CE-CB 4.35Å; M190-I214 HydrophobicContact CE-CD1 4.2Å; M190-I214 HydrophobicContact CE-CG1 4.43Å; M190-I214 HydrophobicContact CG-CD1 4.28Å; M190-I214 HydrophobicContact SD-CD1 3.53Å; M190-I214 VanDerWaalsContact SD-CD1 3.53Å; M190-I214 HydrophobicContact SD-CG1 4.33Å; Q212-I214 PolarHBondContact O-N 2.71Å; I214-D216 VanDerWaalsContact C-N 3.27Å; I214-D216 PolarHBondContact O-N 3.47Å; I214-I217 HydrophobicContact CD1-CD1 3.9Å; I214-I217 PolarHBondContact O-N 3.03Å; I214-W219 HydrophobicContact CD1-CH2 3.28Å; I214-W219 HydrophobicContact CD1-CZ3 3.47Å; I214-W219 VanDerWaalsContact CD1-CZ3 3.47Å; I214-W219 HydrophobicContact CG1-CH2 3.88Å; I214-W219 HydrophobicContact CG1-CZ3 4.4Å
215E90.2Very high90.9Very high124 Ų12487.9 Ų87.958%0.57943%0.431SS*.THydrogen-bonded Turntrans-64.8-33.6176.9-64.3171137.800111.5K165 S213K165-E215 HydrophobicContact CD-CG 4.06Å; K165-E215 WeakPolarHBondContact CE-OE1 3.29Å; K165-E215 VanDerWaalsContact CE-OE2 3.26Å; K165-E215 WeakPolarHBondContact CE-OE2 3.34Å; S213-E215 PolarHBondContact O-N 2.97Å; S213-E215 VanDerWaalsContact O-N 3.08Å; S213-E215 PolarHBondContact OG-N 3.09Å; S213-E215 PolarHBondContact OG-OE2 2.95Å
216D89.8Confident90.5Very high121 Ų12188.9 Ų88.965%0.64744%0.438SS*.THydrogen-bonded Turntrans-81.9-17.4-177-62.6-38000113.3S213 I214S213-D216 WeakPolarHBondContact CB-OD2 3.48Å; S213-D216 WeakPolarHBondContact O-CB 3.43Å; S213-D216 PolarHBondContact O-N 3.31Å; I214-D216 VanDerWaalsContact C-N 3.27Å; I214-D216 PolarHBondContact O-N 3.47Å
217I85.8Confident90Very high8 Ų889.2 Ų89.24%0.04144%0.441CS..  trans-82.6129.1-175.6-50.2179000109.8K161 P189 M190 Q212 I214 W219K161-I217 WeakPolarHBondContact CE-O 3.36Å; K161-I217 PolarHBondContact NZ-O 3.5Å; P189-I217 HydrophobicContact CB-CD1 3.83Å; P189-I217 HydrophobicContact CB-CG1 4.42Å; P189-I217 HydrophobicContact CG-CD1 4.35Å; P189-I217 HydrophobicContact CG-CG2 4.49Å; M190-I217 HydrophobicContact CB-CD1 3.72Å; Q212-I217 HydrophobicContact CB-CD1 4.21Å; Q212-I217 HydrophobicContact CB-CG1 4.02Å; I214-I217 HydrophobicContact CD1-CD1 3.9Å; I214-I217 PolarHBondContact O-N 3.03Å; I217-W219 HydrophobicContact CB-CE3 3.96Å; I217-W219 HydrophobicContact CB-CZ3 3.66Å; I217-W219 HydrophobicContact CD1-CZ3 4.37Å; I217-W219 HydrophobicContact CG2-CE3 3.38Å; I217-W219 HydrophobicContact CG2-CZ3 3.56Å
218Q76.1Confident89.4Confident178 Ų17887.7 Ų87.783%0.83243%0.43SS*.  trans-105.6131.8173.7-62.6-175.1-2.300110
219W69.2Low88.8Confident112 Ų11291.4 Ų91.442%0.42445%0.447SS..  trans-151.90174.66969.7000114.5F157 K161 L164 A186 I187 I214 I217F157-W219 AromaticContact CD2-CD1 3.46Å; F157-W219 VanDerWaalsContact CD2-CD1 3.46Å; F157-W219 HydrophobicContact CD2-CD2 4.44Å; F157-W219 AromaticContact CD2-CE2 3.8Å; F157-W219 HydrophobicContact CD2-CG 4.2Å; F157-W219 HydrophobicContact CD2-CZ2 4.39Å; F157-W219 AromaticContact CD2-NE1 3.2Å; F157-W219 WeakPolarHBondContact CD2-O 3.46Å; F157-W219 HydrophobicContact CE2-CB 4.4Å; F157-W219 AromaticContact CE2-CD1 3.34Å; F157-W219 AromaticContact CE2-CD2 3.74Å; F157-W219 HydrophobicContact CE2-CD2 3.74Å; F157-W219 AromaticContact CE2-CE2 3.46Å; F157-W219 VanDerWaalsContact CE2-CE2 3.46Å; F157-W219 AromaticContact CE2-CG 3.61Å; F157-W219 HydrophobicContact CE2-CG 3.61Å; F157-W219 HydrophobicContact CE2-CZ2 4.07Å; F157-W219 AromaticContact CE2-NE1 3.27Å; F157-W219 VanDerWaalsContact CE2-NE1 3.27Å; F157-W219 WeakPolarHBondContact CE2-O 3.35Å; K161-W219 HydrophobicContact CG-CH2 3.89Å; K161-W219 HydrophobicContact CG-CZ2 3.87Å; L164-W219 HydrophobicContact CD1-CH2 3.81Å; L164-W219 HydrophobicContact CD1-CZ2 3.96Å; A186-W219 HydrophobicContact CB-CB 3.23Å; A186-W219 HydrophobicContact CB-CD2 3.8Å; A186-W219 HydrophobicContact CB-CE3 4.01Å; A186-W219 HydrophobicContact CB-CG 3.44Å; A186-W219 VanDerWaalsContact CB-CG 3.44Å; I187-W219 HydrophobicContact CG2-CE3 4.42Å; I187-W219 HydrophobicContact CG2-CH2 3.92Å; I187-W219 HydrophobicContact CG2-CZ2 4.02Å; I187-W219 HydrophobicContact CG2-CZ3 4.06Å; I214-W219 HydrophobicContact CD1-CH2 3.28Å; I214-W219 HydrophobicContact CD1-CZ3 3.47Å; I214-W219 VanDerWaalsContact CD1-CZ3 3.47Å; I214-W219 HydrophobicContact CG1-CH2 3.88Å; I214-W219 HydrophobicContact CG1-CZ3 4.4Å; I217-W219 HydrophobicContact CB-CE3 3.96Å; I217-W219 HydrophobicContact CB-CZ3 3.66Å; I217-W219 HydrophobicContact CD1-CZ3 4.37Å; I217-W219 HydrophobicContact CG2-CE3 3.38Å; I217-W219 HydrophobicContact CG2-CZ3 3.56Å

Retrieved 219 of 219 residues in 108.5 ms (Link to these results)

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