A0A060WMF3_ONCMY Loading...

E3 ubiquitin-protein ligase NRDP1

AlphaFold DB , UniProt , Accession A0A060WMF3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110494171, Length 318 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
1M82.6Confident91.4Very high108 Ų10875.9 Ų75.953%0.53242%0.42SS..  0116.70-67.9-82.2-132.700106.2C21 A41 Q45M1-C21 HydrophobicContact CB-CB 4.36Å; M1-C21 PolarHBondContact O-SG 3.44Å; M1-A41 HydrophobicContact CE-CB 3.87Å; M1-A41 WeakPolarHBondContact CE-O 3.31Å; M1-A41 HydrophobicContact SD-CB 3.23Å; M1-A41 WeakPolarHBondContact SD-CB 3.41Å; M1-Q45 HydrophobicContact CE-CB 4.2Å
2G90.4Very high91.5Very high14 Ų1471.3 Ų71.314%0.14440%0.396CS..  trans72.5151.9-168.900000111.6V24 E26G2-V24 CarbonylContact C-O 3.52Å; G2-V24 WeakPolarHBondContact CA-O 3.4Å; G2-E26 PolarHBondContact N-OE2 3.31Å
3Y94.3Very high91.6Very high31 Ų3172.5 Ų72.512%0.12240%0.401CS..BIsolated β-bridgetrans-79.6138.4175.6-59-82.8000110.2V5 F8 G23 V24 E26 I81 L96 L99Y3-V5 PolarHBondContact O-N 2.84Å; Y3-F8 HydrophobicContact CG-CZ 4.27Å; Y3-G23 CarbonylContact O-C 3.58Å; Y3-G23 VanDerWaalsContact O-CA 3.31Å; Y3-G23 WeakPolarHBondContact O-CA 3.26Å; Y3-V24 PolarHBondContact N-O 2.79Å; Y3-V24 PolarHBondContact O-N 3.17Å; Y3-E26 HydrophobicContact CD2-CB 3.95Å; Y3-E26 HydrophobicContact CD2-CG 4.44Å; Y3-E26 HydrophobicContact CE2-CB 3.73Å; Y3-E26 HydrophobicContact CE2-CG 3.82Å; Y3-I81 HydrophobicContact CD1-CD1 4.1Å; Y3-I81 HydrophobicContact CG-CD1 4.41Å; Y3-L96 HydrophobicContact CD1-CD1 4.28Å; Y3-L96 HydrophobicContact CD2-CD1 4.08Å; Y3-L96 HydrophobicContact CD2-CD2 4.34Å; Y3-L96 HydrophobicContact CE1-CD1 4.1Å; Y3-L96 HydrophobicContact CE2-CD1 3.89Å; Y3-L96 HydrophobicContact CE2-CD2 4.18Å; Y3-L96 HydrophobicContact CE2-CG 4.4Å; Y3-L96 HydrophobicContact CG-CD1 4.27Å; Y3-L99 HydrophobicContact CD1-CD2 4.24Å; Y3-L99 HydrophobicContact CE1-CD2 3.74Å
4D93.9Very high91.6Very high88 Ų8879 Ų7947%0.47143%0.427SS..  trans-63.2124.3174.9-175.3-16.7000110.4T6 R7 F8D4-T6 PolarHBondContact O-N 3.36Å; D4-T6 WeakPolarHBondContact OD1-CB 3.47Å; D4-T6 WeakPolarHBondContact OD1-CG2 3.28Å; D4-T6 PolarHBondContact OD1-N 3.05Å; D4-T6 PolarHBondContact OD1-OG1 3.49Å; D4-T6 PolarHBondContact OD2-OG1 3.38Å; D4-R7 HydrophobicContact CB-CG 4.16Å; D4-R7 WeakPolarHBondContact O-CB 3.29Å; D4-R7 PolarHBondContact O-N 3.03Å; D4-R7 VanDerWaalsContact O-N 3.17Å; D4-F8 WeakPolarHBondContact O-CD2 3.5Å
5V93.8Very high91.7Very high53 Ų5381.9 Ų81.932%0.32144%0.442SS..G310 helixtrans-59.9-32.9-177.1-172.10000111.4Y3 R7 F8 V12 L17 V24Y3-V5 PolarHBondContact O-N 2.84Å; V5-R7 PolarHBondContact O-N 3.2Å; V5-R7 VanDerWaalsContact O-N 3.09Å; V5-F8 PolarHBondContact O-N 3.2Å; V5-F8 VanDerWaalsContact O-N 3.1Å; V5-V12 HydrophobicContact CG1-CB 4.41Å; V5-V12 HydrophobicContact CG1-CG2 4.24Å; V5-L17 HydrophobicContact CG2-CD2 3.81Å; V5-V24 HydrophobicContact CG2-CG2 4.17Å
6T92.3Very high91.9Very high119 Ų11977.3 Ų77.373%0.7342%0.417SS*.G310 helixtrans-65.3-15.4-178.764.20000113.7D4D4-T6 PolarHBondContact O-N 3.36Å; D4-T6 WeakPolarHBondContact OD1-CB 3.47Å; D4-T6 WeakPolarHBondContact OD1-CG2 3.28Å; D4-T6 PolarHBondContact OD1-N 3.05Å; D4-T6 PolarHBondContact OD1-OG1 3.49Å; D4-T6 PolarHBondContact OD2-OG1 3.38Å
7R94.1Very high92.2Very high42 Ų4275.5 Ų75.516%0.15841%0.407CS..G310 helixtrans-84.1-13.5178.3-64.3173.754.8-170.71.6113.5D4 V5 I81 N82 D84D4-R7 HydrophobicContact CB-CG 4.16Å; D4-R7 WeakPolarHBondContact O-CB 3.29Å; D4-R7 PolarHBondContact O-N 3.03Å; D4-R7 VanDerWaalsContact O-N 3.17Å; V5-R7 PolarHBondContact O-N 3.2Å; V5-R7 VanDerWaalsContact O-N 3.09Å; R7-I81 HydrophobicContact CB-CD1 4.19Å; R7-I81 HydrophobicContact CB-CG1 3.79Å; R7-I81 WeakPolarHBondContact O-CA 3.43Å; R7-N82 PolarHBondContact NE-O 2.97Å; R7-N82 PolarHBondContact NH2-O 2.99Å; R7-N82 PolarHBondContact O-N 3.27Å; R7-D84 VanDerWaalsContact CZ-CG 3.5Å; R7-D84 IonicContact CZ-OD1 3.69Å; R7-D84 IonicContact CZ-OD2 2.62Å; R7-D84 IonicContact NH1-OD1 3.77Å; R7-D84 PolarHBondContact NH1-OD1 3.17Å; R7-D84 IonicContact NH1-OD2 3.84Å; R7-D84 IonicContact NH2-OD1 2.65Å; R7-D84 PolarHBondContact NH2-OD1 3.34Å; R7-D84 VanDerWaalsContact NH2-OD1 3.1Å; R7-D84 IonicContact NH2-OD2 3.69Å; R7-D84 PolarHBondContact NH2-OD2 3.5Å
8F94.9Very high92.4Very high15 Ų1571.3 Ų71.37%0.06639%0.385CS..BIsolated β-bridgetrans-86.3146.2-178-70.2-92.1000111.2Y3 D4 V5 V12 V24 L79 Q80 I81 L96Y3-F8 HydrophobicContact CG-CZ 4.27Å; D4-F8 WeakPolarHBondContact O-CD2 3.5Å; V5-F8 PolarHBondContact O-N 3.2Å; V5-F8 VanDerWaalsContact O-N 3.1Å; F8-V12 HydrophobicContact CB-CG2 3.58Å; F8-V12 HydrophobicContact CD1-CG2 4.46Å; F8-V12 HydrophobicContact CD2-CG2 4.32Å; F8-V12 HydrophobicContact CG-CG2 3.88Å; F8-V24 HydrophobicContact CD2-CB 4.47Å; F8-V24 HydrophobicContact CD2-CG2 3.64Å; F8-V24 HydrophobicContact CE1-CG1 4.41Å; F8-V24 HydrophobicContact CE2-CB 3.66Å; F8-V24 HydrophobicContact CE2-CG1 4.18Å; F8-V24 HydrophobicContact CE2-CG2 3.3Å; F8-V24 HydrophobicContact CG-CG2 4.41Å; F8-V24 HydrophobicContact CZ-CB 3.79Å; F8-V24 HydrophobicContact CZ-CG1 3.82Å; F8-V24 HydrophobicContact CZ-CG2 3.82Å; F8-L79 HydrophobicContact CD1-CB 3.7Å; F8-L79 HydrophobicContact CD1-CD1 4.16Å; F8-L79 HydrophobicContact CD1-CG 4.49Å; F8-L79 HydrophobicContact CE1-CB 3.66Å; F8-L79 HydrophobicContact CE1-CD1 3.88Å; F8-L79 HydrophobicContact CE1-CG 4.43Å; F8-Q80 CarbonylContact C-O 3.53Å; F8-Q80 VanDerWaalsContact CA-O 3.29Å; F8-Q80 WeakPolarHBondContact CA-O 3.31Å; F8-Q80 WeakPolarHBondContact CD1-O 3.21Å; F8-I81 HydrophobicContact CD1-CB 3.87Å; F8-I81 HydrophobicContact CD1-CG1 4.1Å; F8-I81 HydrophobicContact CD2-CD1 4.35Å; F8-I81 HydrophobicContact CD2-CG1 4.26Å; F8-I81 HydrophobicContact CE1-CB 3.79Å; F8-I81 HydrophobicContact CE1-CD1 3.99Å; F8-I81 HydrophobicContact CE1-CG1 3.99Å; F8-I81 HydrophobicContact CE2-CD1 3.74Å; F8-I81 HydrophobicContact CE2-CG1 4.12Å; F8-I81 HydrophobicContact CG-CB 4.47Å; F8-I81 HydrophobicContact CG-CG1 4.27Å; F8-I81 HydrophobicContact CZ-CB 4.29Å; F8-I81 HydrophobicContact CZ-CD1 3.56Å; F8-I81 HydrophobicContact CZ-CG1 4.01Å; F8-L96 HydrophobicContact CE1-CD1 4.08Å; F8-L96 HydrophobicContact CE1-CD2 4.25Å; F8-L96 HydrophobicContact CZ-CD1 3.98Å; F8-L96 HydrophobicContact CZ-CD2 4.29Å
9Q92.6Very high92.6Very high99 Ų9971.5 Ų71.546%0.46339%0.39SS..SBendtrans-84.4123.7174.5-64.7-70.1-23.200109.5Q80 N82 V93Q9-Q80 HydrophobicContact CB-CB 4.04Å; Q9-Q80 HydrophobicContact CG-CB 4.28Å; Q9-Q80 PolarHBondContact N-O 3.16Å; Q9-N82 PolarHBondContact NE2-OD1 3.03Å; Q9-V93 HydrophobicContact CG-CG1 3.75Å
10G87.8Confident92.7Very high66 Ų6670.9 Ų70.968%0.6839%0.386SS*.SBendtrans81.3-171.4-17800000113.5
11E88.8Confident92.9Very high200 Ų20069.6 Ų69.694%0.93538%0.381SS*.PPolyproline II helixtrans-78.9133.5177.5-66.7-177.7171.400110.4
12V92.6Very high93.5Very high21 Ų2168.6 Ų68.613%0.12739%0.385CS..PPolyproline II helixtrans-95.5129.9173-176.70000108.3V5 F8 E14 L16 L17 V24 L79V5-V12 HydrophobicContact CG1-CB 4.41Å; V5-V12 HydrophobicContact CG1-CG2 4.24Å; F8-V12 HydrophobicContact CB-CG2 3.58Å; F8-V12 HydrophobicContact CD1-CG2 4.46Å; F8-V12 HydrophobicContact CD2-CG2 4.32Å; F8-V12 HydrophobicContact CG-CG2 3.88Å; V12-E14 PolarHBondContact O-N 3.3Å; V12-L16 HydrophobicContact CG1-CB 4.19Å; V12-L17 HydrophobicContact CG1-CD2 4.17Å; V12-V24 HydrophobicContact CB-CG2 4.43Å; V12-V24 HydrophobicContact CG1-CG1 4.44Å; V12-V24 HydrophobicContact CG1-CG2 3.85Å; V12-V24 HydrophobicContact CG2-CG2 4.2Å; V12-L79 HydrophobicContact CG1-CD1 4.06Å
13D93.3Very high93.7Very high86 Ų8668.3 Ų68.346%0.4638%0.382SS..PPolyproline II helixtrans-56.6133.4175.7-166.1-38000111.1D15 L16D13-D15 PolarHBondContact O-N 2.89Å; D13-D15 PolarHBondContact OD1-N 3.1Å; D13-L16 HydrophobicContact CB-CD1 4.22Å; D13-L16 HydrophobicContact CB-CG 4.15Å; D13-L16 WeakPolarHBondContact O-CB 3.36Å; D13-L16 PolarHBondContact O-N 3.12Å
14E91.7Very high93.8Very high164 Ų16466.8 Ų66.877%0.76638%0.376SS*.G310 helixtrans-60.5-29.8-178.7-65.7-171169.600112.2V12 L16 L17V12-E14 PolarHBondContact O-N 3.3Å; E14-L16 PolarHBondContact O-N 3.35Å; E14-L16 VanDerWaalsContact O-N 3.13Å; E14-L17 WeakPolarHBondContact O-CB 3.29Å; E14-L17 PolarHBondContact O-N 2.85Å
15D91.9Very high94Very high123 Ų12362.7 Ų62.766%0.65835%0.354SS*.G310 helixtrans-65.8-14.4176.7-74.4-19.3000112.9D13D13-D15 PolarHBondContact O-N 2.89Å; D13-D15 PolarHBondContact OD1-N 3.1Å
16L95.4Very high94Very high7 Ų763.2 Ų63.24%0.03735%0.353CS..G310 helixtrans-98.32.5177.7-56.1-176000113V12 D13 E14 V24 L25 M72 M75 L76 L79V12-L16 HydrophobicContact CG1-CB 4.19Å; D13-L16 HydrophobicContact CB-CD1 4.22Å; D13-L16 HydrophobicContact CB-CG 4.15Å; D13-L16 WeakPolarHBondContact O-CB 3.36Å; D13-L16 PolarHBondContact O-N 3.12Å; E14-L16 PolarHBondContact O-N 3.35Å; E14-L16 VanDerWaalsContact O-N 3.13Å; L16-V24 WeakPolarHBondContact O-CA 3.39Å; L16-L25 VanDerWaalsContact O-CG 3.28Å; L16-L25 WeakPolarHBondContact O-CG 3.28Å; L16-L25 PolarHBondContact O-N 3.1Å; L16-M72 HydrophobicContact CD2-CG 3.72Å; L16-M75 HydrophobicContact CD1-CB 4.15Å; L16-M75 HydrophobicContact CD2-CB 4.3Å; L16-L76 HydrophobicContact CB-CD2 3.93Å; L16-L76 HydrophobicContact CD1-CD2 4.25Å; L16-L76 HydrophobicContact CD2-CD2 4.17Å; L16-L76 HydrophobicContact CD2-CG 4.04Å; L16-L76 HydrophobicContact CG-CD2 4.34Å; L16-L79 HydrophobicContact CD1-CD1 4Å; L16-L79 HydrophobicContact CD1-CD2 4.35Å; L16-L79 HydrophobicContact CD1-CG 4.41Å
17L96.4Very high94.1Very high47 Ų4764.3 Ų64.325%0.24635%0.35CS..BIsolated β-bridgetrans-94.7141.3178.6-57-178.6000110.9V5 V12 E14 P19 G23 V24V5-L17 HydrophobicContact CG2-CD2 3.81Å; V12-L17 HydrophobicContact CG1-CD2 4.17Å; E14-L17 WeakPolarHBondContact O-CB 3.29Å; E14-L17 PolarHBondContact O-N 2.85Å; L17-P19 WeakPolarHBondContact O-CD 3.3Å; L17-G23 WeakPolarHBondContact CA-O 3.18Å; L17-V24 HydrophobicContact CD2-CB 4.5Å; L17-V24 HydrophobicContact CD2-CG2 3.87Å
18C96.9Very high94.2Very high1 Ų163.5 Ų63.51%0.00735%0.35CS..  trans-78.9124.1174.9-175.90000110.3I20 C21 S22 G23 L25 C39C18-I20 PolarHBondContact O-N 3.21Å; C18-C21 VanDerWaalsContact CB-SG 3.59Å; C18-C21 PolarHBondContact O-N 3.29Å; C18-S22 WeakPolarHBondContact O-CA 3.47Å; C18-S22 PolarHBondContact O-N 3.24Å; C18-G23 PolarHBondContact N-O 3.01Å; C18-L25 HydrophobicContact CB-CD2 3.75Å; C18-L25 HydrophobicContact CB-CG 4.5Å; C18-C39 VanDerWaalsContact CB-SG 3.56Å; C18-C39 PolarHBondContact SG-N 3.5Å; C18-C39 VanDerWaalsContact SG-N 3.42Å
19P95.1Very high94.2Very high74 Ų7463.8 Ų63.848%0.48135%0.353SS..THydrogen-bonded Turntrans-63.4-16.3178.4-24.134.3000114.7L17 A37 F38 V55L17-P19 WeakPolarHBondContact O-CD 3.3Å; P19-A37 VanDerWaalsContact CD-O 3.29Å; P19-A37 WeakPolarHBondContact CD-O 3.48Å; P19-F38 HydrophobicContact CB-CE1 4.23Å; P19-F38 HydrophobicContact CG-CD1 4.33Å; P19-F38 HydrophobicContact CG-CE1 3.99Å; P19-V55 HydrophobicContact CB-CG2 3.92Å; P19-V55 HydrophobicContact CG-CG2 3.93Å
20I95.3Very high94.4Very high60 Ų6060.5 Ų60.531%0.30834%0.337SS..THydrogen-bonded Turntrans-88.3-51-177.8-58.3166.3000111C18 F38 C42 I43 P54C18-I20 PolarHBondContact O-N 3.21Å; I20-F38 HydrophobicContact CD1-CB 4.29Å; I20-F38 HydrophobicContact CD1-CD1 3.58Å; I20-F38 HydrophobicContact CD1-CE1 4.26Å; I20-F38 HydrophobicContact CD1-CG 4.15Å; I20-F38 HydrophobicContact CG1-CD1 3.83Å; I20-F38 HydrophobicContact CG1-CE1 4.25Å; I20-C42 HydrophobicContact CB-CB 3.95Å; I20-C42 HydrophobicContact CD1-CB 3.69Å; I20-C42 HydrophobicContact CG1-CB 4.43Å; I20-C42 HydrophobicContact CG2-CB 3.96Å; I20-I43 HydrophobicContact CD1-CB 4.34Å; I20-I43 HydrophobicContact CD1-CD1 4.22Å; I20-P54 HydrophobicContact CD1-CG 3.91Å; I20-P54 HydrophobicContact CG1-CB 4.28Å; I20-P54 HydrophobicContact CG1-CG 4.01Å
21C96.2Very high94.6Very high43 Ų4357.4 Ų57.429%0.29131%0.305SS..THydrogen-bonded Turntrans-101.7-5.8-177.169.40000114.2M1 C18 G23M1-C21 HydrophobicContact CB-CB 4.36Å; M1-C21 PolarHBondContact O-SG 3.44Å; C18-C21 VanDerWaalsContact CB-SG 3.59Å; C18-C21 PolarHBondContact O-N 3.29Å; C21-G23 PolarHBondContact O-N 3.33Å
22S95.2Very high94.5Very high88 Ų8849.6 Ų49.662%0.61527%0.272SS*.  trans57.811.2-175.1-51.30000115.1C18C18-S22 WeakPolarHBondContact O-CA 3.47Å; C18-S22 PolarHBondContact O-N 3.24Å
23G96Very high94.1Very high7 Ų755.8 Ų55.87%0.07230%0.299CS..SBendtrans-94.6166.8173.700000112.3Y3 L17 C18 C21 L25Y3-G23 CarbonylContact O-C 3.58Å; Y3-G23 VanDerWaalsContact O-CA 3.31Å; Y3-G23 WeakPolarHBondContact O-CA 3.26Å; L17-G23 WeakPolarHBondContact CA-O 3.18Å; C18-G23 PolarHBondContact N-O 3.01Å; C21-G23 PolarHBondContact O-N 3.33Å; G23-L25 PolarHBondContact O-N 3.11Å
24V96.7Very high94Very high0 Ų052.8 Ų52.80%028%0.284CS..BIsolated β-bridgetrans-63.7135.9173.7-174.50000109.5G2 Y3 V5 F8 V12 L16 L17 E26 L76 L79G2-V24 CarbonylContact C-O 3.52Å; G2-V24 WeakPolarHBondContact CA-O 3.4Å; Y3-V24 PolarHBondContact N-O 2.79Å; Y3-V24 PolarHBondContact O-N 3.17Å; V5-V24 HydrophobicContact CG2-CG2 4.17Å; F8-V24 HydrophobicContact CD2-CB 4.47Å; F8-V24 HydrophobicContact CD2-CG2 3.64Å; F8-V24 HydrophobicContact CE1-CG1 4.41Å; F8-V24 HydrophobicContact CE2-CB 3.66Å; F8-V24 HydrophobicContact CE2-CG1 4.18Å; F8-V24 HydrophobicContact CE2-CG2 3.3Å; F8-V24 HydrophobicContact CG-CG2 4.41Å; F8-V24 HydrophobicContact CZ-CB 3.79Å; F8-V24 HydrophobicContact CZ-CG1 3.82Å; F8-V24 HydrophobicContact CZ-CG2 3.82Å; V12-V24 HydrophobicContact CB-CG2 4.43Å; V12-V24 HydrophobicContact CG1-CG1 4.44Å; V12-V24 HydrophobicContact CG1-CG2 3.85Å; V12-V24 HydrophobicContact CG2-CG2 4.2Å; L16-V24 WeakPolarHBondContact O-CA 3.39Å; L17-V24 HydrophobicContact CD2-CB 4.5Å; L17-V24 HydrophobicContact CD2-CG2 3.87Å; V24-E26 PolarHBondContact O-N 3.16Å; V24-L76 HydrophobicContact CG1-CD2 3.65Å; V24-L79 HydrophobicContact CG1-CD1 3.76Å
25L96.5Very high94.1Very high2 Ų251.6 Ų51.61%0.0128%0.279CS..PPolyproline II helixtrans-56.1123.9-171.9-69.6161000113.1L16 C18 G23 P28 A37 F38 M72 L76L16-L25 VanDerWaalsContact O-CG 3.28Å; L16-L25 WeakPolarHBondContact O-CG 3.28Å; L16-L25 PolarHBondContact O-N 3.1Å; C18-L25 HydrophobicContact CB-CD2 3.75Å; C18-L25 HydrophobicContact CB-CG 4.5Å; G23-L25 PolarHBondContact O-N 3.11Å; L25-P28 HydrophobicContact CB-CB 3.95Å; L25-P28 HydrophobicContact CD1-CB 4.32Å; L25-A37 HydrophobicContact CD1-CB 3.92Å; L25-A37 HydrophobicContact CD2-CB 4.46Å; L25-F38 VanDerWaalsContact CD2-CA 3.49Å; L25-M72 HydrophobicContact CD1-SD 4.19Å; L25-L76 HydrophobicContact CB-CD1 4.23Å; L25-L76 HydrophobicContact CB-CD2 4.31Å
26E95.1Very high94.2Very high63 Ų6348.5 Ų48.529%0.29426%0.26SS..SBendtrans-109.4126.2175.1-178.9179.8-154.400109.5G2 Y3 V24 C39 N40G2-E26 PolarHBondContact N-OE2 3.31Å; Y3-E26 HydrophobicContact CD2-CB 3.95Å; Y3-E26 HydrophobicContact CD2-CG 4.44Å; Y3-E26 HydrophobicContact CE2-CB 3.73Å; Y3-E26 HydrophobicContact CE2-CG 3.82Å; V24-E26 PolarHBondContact O-N 3.16Å; E26-C39 PolarHBondContact N-SG 2.76Å; E26-C39 VanDerWaalsContact O-CA 3.25Å; E26-C39 WeakPolarHBondContact O-CA 3.4Å; E26-C39 WeakPolarHBondContact O-CB 3.28Å; E26-N40 PolarHBondContact O-N 2.98Å
27E94.3Very high94.2Very high143 Ų14348.7 Ų48.767%0.66826%0.263SS*.SBendtrans44.261.1-170-62-168.3135.100112V29 N40E27-V29 PolarHBondContact O-N 3.38Å; E27-N40 HydrophobicContact CB-CB 4.11Å; E27-N40 WeakPolarHBondContact O-CB 3.35Å; E27-N40 PolarHBondContact O-N 3.29Å; E27-N40 VanDerWaalsContact O-N 3.12Å
28P95.7Very high94.2Very high25 Ų2546.5 Ų46.516%0.16225%0.252CS..EExtended strand (participates in β ladder)trans-62.7132.4-170.523.8-36.3000113.6L25 F38 V68 L76L25-P28 HydrophobicContact CB-CB 3.95Å; L25-P28 HydrophobicContact CD1-CB 4.32Å; P28-F38 WeakPolarHBondContact CA-O 3.29Å; P28-V68 HydrophobicContact CB-CB 4.3Å; P28-V68 HydrophobicContact CB-CG1 3.67Å; P28-V68 HydrophobicContact CB-CG2 3.66Å; P28-V68 HydrophobicContact CG-CG1 4.47Å; P28-V68 HydrophobicContact CG-CG2 3.49Å; P28-V68 VanDerWaalsContact CG-CG2 3.49Å; P28-L76 HydrophobicContact CB-CD1 4.26Å; P28-L76 HydrophobicContact CG-CD1 3.67Å
29V95.4Very high94.2Very high21 Ų2146.6 Ų46.613%0.12725%0.252CS..EExtended strand (participates in β ladder)trans-123.2151.8170.7-660000110.1E27 A37 F38 N40 I43 L65 R66E27-V29 PolarHBondContact O-N 3.38Å; V29-A37 CarbonylContact O-C 3.56Å; V29-A37 VanDerWaalsContact O-CA 3.31Å; V29-A37 WeakPolarHBondContact O-CA 3.26Å; V29-F38 PolarHBondContact N-O 3.48Å; V29-F38 PolarHBondContact O-N 3.17Å; V29-N40 HydrophobicContact CG1-CB 4.11Å; V29-N40 HydrophobicContact CG2-CB 4.4Å; V29-I43 HydrophobicContact CG2-CG2 3.49Å; V29-I43 VanDerWaalsContact CG2-CG2 3.49Å; V29-L65 HydrophobicContact CB-CB 4.41Å; V29-L65 HydrophobicContact CG2-CD1 4.07Å; V29-L65 HydrophobicContact CG2-CD2 4.48Å; V29-R66 CarbonylContact C-O 3.57Å; V29-R66 WeakPolarHBondContact CA-O 3.45Å
30Q95.4Very high94.2Very high30 Ų3045.9 Ų45.914%0.1424%0.244CC..EExtended strand (participates in β ladder)trans-123.1139.8-176.5-160.6-17732.800110.6E35 H36 R66 V68Q30-E35 VanDerWaalsContact CG-O 3.32Å; Q30-E35 WeakPolarHBondContact CG-O 3.41Å; Q30-E35 PolarHBondContact NE2-O 3.16Å; Q30-H36 WeakPolarHBondContact CA-O 3.4Å; Q30-R66 PolarHBondContact N-O 2.94Å; Q30-R66 PolarHBondContact O-N 3.35Å; Q30-V68 HydrophobicContact CB-CG1 4.01Å
31A92.5Very high94.2Very high1 Ų145.3 Ų45.31%0.00825%0.248CC..  trans-77.3125.9167.300000109.9H33 C34 E35 H36 V60A31-H33 VanDerWaalsContact C-N 3.34Å; A31-H33 PolarHBondContact O-N 3.4Å; A31-C34 WeakPolarHBondContact CB-SG 3.47Å; A31-E35 VanDerWaalsContact O-CA 3.25Å; A31-E35 WeakPolarHBondContact O-CA 3.05Å; A31-E35 PolarHBondContact O-N 3.47Å; A31-H36 PolarHBondContact N-O 3.31Å; A31-V60 HydrophobicContact CB-CG1 4.06Å; A31-V60 HydrophobicContact CB-CG2 4.1Å
32P85.9Confident94.2Very high36 Ų3643.5 Ų43.523%0.23424%0.236CC..THydrogen-bonded Turntrans-72.7-21.7-168.528.2-37.1000114.7H64P32-H64 WeakPolarHBondContact CD-O 3.48Å; P32-H64 HydrophobicContact CG-CB 4.25Å; P32-H64 VanDerWaalsContact CG-O 3.23Å; P32-H64 WeakPolarHBondContact CG-O 3.34Å
33H86Confident94.1Very high151 Ų15139.3 Ų39.370%0.69921%0.207SC*.THydrogen-bonded Turntrans-95.3-28.4-175.7-63.7-57.5000113.8A31A31-H33 VanDerWaalsContact C-N 3.34Å; A31-H33 PolarHBondContact O-N 3.4Å
34C90.7Very high94Very high22 Ų2241.6 Ų41.615%0.14922%0.22CC..THydrogen-bonded Turntrans-117.4-1-178.758.70000113.5A31 H36 D56 S58A31-C34 WeakPolarHBondContact CB-SG 3.47Å; C34-H36 PolarHBondContact O-CE1 3.29Å; C34-H36 PolarHBondContact O-N 3.2Å; C34-H36 PolarHBondContact O-ND1 3.38Å; C34-D56 WeakPolarHBondContact CB-OD2 3.35Å; C34-S58 PolarHBondContact SG-OG 3.03Å; C34-S58 VanDerWaalsContact SG-OG 3.36Å
35E92.4Very high93.9Very high140 Ų14046.9 Ų46.965%0.65424%0.244SC*.  trans59.37.1173.3-58.7-173.6173.600116Q30 A31Q30-E35 VanDerWaalsContact CG-O 3.32Å; Q30-E35 WeakPolarHBondContact CG-O 3.41Å; Q30-E35 PolarHBondContact NE2-O 3.16Å; A31-E35 VanDerWaalsContact O-CA 3.25Å; A31-E35 WeakPolarHBondContact O-CA 3.05Å; A31-E35 PolarHBondContact O-N 3.47Å
36H94.2Very high93.7Very high57 Ų5751 Ų5126%0.26426%0.26SS..  trans-69134.7174.1-62.4107.1000111.7Q30 A31 C34 F38 V55 D56Q30-H36 WeakPolarHBondContact CA-O 3.4Å; A31-H36 PolarHBondContact N-O 3.31Å; C34-H36 PolarHBondContact O-CE1 3.29Å; C34-H36 PolarHBondContact O-N 3.2Å; C34-H36 PolarHBondContact O-ND1 3.38Å; H36-F38 HydrophobicContact CB-CE2 3.67Å; H36-F38 HydrophobicContact CB-CZ 3.57Å; H36-F38 WeakPolarHBondContact O-CE2 3.35Å; H36-V55 HydrophobicContact CB-CG2 4.34Å; H36-V55 VanDerWaalsContact NE2-CG1 3.33Å; H36-V55 WeakPolarHBondContact NE2-CG1 3.43Å; H36-D56 IonicContact CE1-OD2 3.6Å; H36-D56 IonicContact ND1-OD2 3.96Å
37A95.5Very high93.6Very high12 Ų1248.6 Ų48.610%0.09925%0.248CC..EExtended strand (participates in β ladder)trans-103.5143.4179.800000112.1P19 L25 V29 V68 M72P19-A37 VanDerWaalsContact CD-O 3.29Å; P19-A37 WeakPolarHBondContact CD-O 3.48Å; L25-A37 HydrophobicContact CD1-CB 3.92Å; L25-A37 HydrophobicContact CD2-CB 4.46Å; V29-A37 CarbonylContact O-C 3.56Å; V29-A37 VanDerWaalsContact O-CA 3.31Å; V29-A37 WeakPolarHBondContact O-CA 3.26Å; A37-V68 HydrophobicContact CB-CG1 3.88Å; A37-M72 HydrophobicContact CB-CE 4.33Å; A37-M72 HydrophobicContact CB-SD 3.97Å
38F96.3Very high93.4Very high1 Ų146.3 Ų46.30%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-142.7157.2-178.6-52-81.1000110.7P19 I20 L25 P28 V29 H36 N40 I43 P54 V55P19-F38 HydrophobicContact CB-CE1 4.23Å; P19-F38 HydrophobicContact CG-CD1 4.33Å; P19-F38 HydrophobicContact CG-CE1 3.99Å; I20-F38 HydrophobicContact CD1-CB 4.29Å; I20-F38 HydrophobicContact CD1-CD1 3.58Å; I20-F38 HydrophobicContact CD1-CE1 4.26Å; I20-F38 HydrophobicContact CD1-CG 4.15Å; I20-F38 HydrophobicContact CG1-CD1 3.83Å; I20-F38 HydrophobicContact CG1-CE1 4.25Å; L25-F38 VanDerWaalsContact CD2-CA 3.49Å; P28-F38 WeakPolarHBondContact CA-O 3.29Å; V29-F38 PolarHBondContact N-O 3.48Å; V29-F38 PolarHBondContact O-N 3.17Å; H36-F38 HydrophobicContact CB-CE2 3.67Å; H36-F38 HydrophobicContact CB-CZ 3.57Å; H36-F38 WeakPolarHBondContact O-CE2 3.35Å; F38-N40 PolarHBondContact O-N 2.77Å; F38-I43 HydrophobicContact CB-CB 3.79Å; F38-I43 HydrophobicContact CB-CG1 4.48Å; F38-I43 HydrophobicContact CB-CG2 4.21Å; F38-I43 HydrophobicContact CD2-CB 4.34Å; F38-I43 HydrophobicContact CD2-CD1 3.96Å; F38-I43 HydrophobicContact CD2-CG1 4.11Å; F38-I43 HydrophobicContact CE2-CD1 4.2Å; F38-I43 HydrophobicContact CG-CB 4.15Å; F38-I43 HydrophobicContact CG-CD1 4.15Å; F38-I43 HydrophobicContact CG-CG1 4.35Å; F38-P54 HydrophobicContact CE1-CB 4.26Å; F38-P54 HydrophobicContact CE1-CG 3.97Å; F38-P54 HydrophobicContact CZ-CG 4.23Å; F38-V55 HydrophobicContact CE1-CG2 3.89Å; F38-V55 HydrophobicContact CZ-CG2 3.88Å
39C97.1Very high93.1Very high2 Ų252.1 Ų52.11%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-63.1136163.7-55.50000108.6C18 E26 A41 C42 I43C18-C39 VanDerWaalsContact CB-SG 3.56Å; C18-C39 PolarHBondContact SG-N 3.5Å; C18-C39 VanDerWaalsContact SG-N 3.42Å; E26-C39 PolarHBondContact N-SG 2.76Å; E26-C39 VanDerWaalsContact O-CA 3.25Å; E26-C39 WeakPolarHBondContact O-CA 3.4Å; E26-C39 WeakPolarHBondContact O-CB 3.28Å; C39-A41 VanDerWaalsContact C-N 3.28Å; C39-A41 PolarHBondContact O-N 3.27Å; C39-C42 HydrophobicContact CB-CB 3.98Å; C39-C42 WeakPolarHBondContact O-CB 3.47Å; C39-C42 PolarHBondContact O-N 2.9Å; C39-I43 PolarHBondContact O-N 2.78Å; C39-I43 VanDerWaalsContact O-N 3.07Å
40N95.1Very high92.7Very high59 Ų5956 Ų5632%0.31629%0.29SS..Hα-helixtrans-52.1-47.3-179-179.731.4000112.4E26 E27 V29 F38 C42 I43 T44E26-N40 PolarHBondContact O-N 2.98Å; E27-N40 HydrophobicContact CB-CB 4.11Å; E27-N40 WeakPolarHBondContact O-CB 3.35Å; E27-N40 PolarHBondContact O-N 3.29Å; E27-N40 VanDerWaalsContact O-N 3.12Å; V29-N40 HydrophobicContact CG1-CB 4.11Å; V29-N40 HydrophobicContact CG2-CB 4.4Å; F38-N40 PolarHBondContact O-N 2.77Å; N40-C42 PolarHBondContact O-N 2.89Å; N40-I43 WeakPolarHBondContact O-CG2 3.03Å; N40-T44 WeakPolarHBondContact O-CB 3.39Å; N40-T44 PolarHBondContact O-N 2.8Å; N40-T44 PolarHBondContact O-OG1 3.48Å; N40-T44 PolarHBondContact OD1-OG1 3.44Å
41A95.3Very high92.5Very high48 Ų4860.2 Ų60.240%0.39731%0.31SS..Hα-helixtrans-67.3-36.1-179.800000112.8M1 C39 Q45M1-A41 HydrophobicContact CE-CB 3.87Å; M1-A41 WeakPolarHBondContact CE-O 3.31Å; M1-A41 HydrophobicContact SD-CB 3.23Å; M1-A41 WeakPolarHBondContact SD-CB 3.41Å; C39-A41 VanDerWaalsContact C-N 3.28Å; C39-A41 PolarHBondContact O-N 3.27Å; A41-Q45 WeakPolarHBondContact O-CB 3.5Å; A41-Q45 PolarHBondContact O-N 3.44Å
42C95.8Very high92.4Very high5 Ų562.2 Ų62.23%0.03432%0.32CS..Hα-helixtrans-63.4-51176.5-720000112.2I20 C39 N40 T44 Q45 W46I20-C42 HydrophobicContact CB-CB 3.95Å; I20-C42 HydrophobicContact CD1-CB 3.69Å; I20-C42 HydrophobicContact CG1-CB 4.43Å; I20-C42 HydrophobicContact CG2-CB 3.96Å; C39-C42 HydrophobicContact CB-CB 3.98Å; C39-C42 WeakPolarHBondContact O-CB 3.47Å; C39-C42 PolarHBondContact O-N 2.9Å; N40-C42 PolarHBondContact O-N 2.89Å; C42-T44 VanDerWaalsContact C-N 3.33Å; C42-Q45 PolarHBondContact O-N 3.16Å; C42-W46 PolarHBondContact O-N 2.88Å
43I94.5Very high92.8Very high1 Ų160.5 Ų60.51%0.00531%0.309CS..Hα-helixtrans-70.8-33.4-178.2-167.663.2000111.6I20 V29 F38 C39 N40 W46 F47 P54 L65I20-I43 HydrophobicContact CD1-CB 4.34Å; I20-I43 HydrophobicContact CD1-CD1 4.22Å; V29-I43 HydrophobicContact CG2-CG2 3.49Å; V29-I43 VanDerWaalsContact CG2-CG2 3.49Å; F38-I43 HydrophobicContact CB-CB 3.79Å; F38-I43 HydrophobicContact CB-CG1 4.48Å; F38-I43 HydrophobicContact CB-CG2 4.21Å; F38-I43 HydrophobicContact CD2-CB 4.34Å; F38-I43 HydrophobicContact CD2-CD1 3.96Å; F38-I43 HydrophobicContact CD2-CG1 4.11Å; F38-I43 HydrophobicContact CE2-CD1 4.2Å; F38-I43 HydrophobicContact CG-CB 4.15Å; F38-I43 HydrophobicContact CG-CD1 4.15Å; F38-I43 HydrophobicContact CG-CG1 4.35Å; C39-I43 PolarHBondContact O-N 2.78Å; C39-I43 VanDerWaalsContact O-N 3.07Å; N40-I43 WeakPolarHBondContact O-CG2 3.03Å; I43-W46 HydrophobicContact CD1-CB 4.46Å; I43-W46 PolarHBondContact O-N 3.33Å; I43-F47 HydrophobicContact CD1-CD1 4.24Å; I43-F47 HydrophobicContact CD1-CE1 3.73Å; I43-F47 HydrophobicContact CD1-CE2 4.19Å; I43-F47 HydrophobicContact CD1-CZ 3.72Å; I43-F47 HydrophobicContact CG1-CD1 4.46Å; I43-F47 HydrophobicContact CG1-CD2 3.98Å; I43-F47 HydrophobicContact CG1-CE1 4.07Å; I43-F47 HydrophobicContact CG1-CE2 3.6Å; I43-F47 HydrophobicContact CG1-CG 4.45Å; I43-F47 HydrophobicContact CG1-CZ 3.63Å; I43-F47 WeakPolarHBondContact O-CB 3.44Å; I43-F47 WeakPolarHBondContact O-CG 3.49Å; I43-F47 PolarHBondContact O-N 2.82Å; I43-P54 HydrophobicContact CD1-CG 3.87Å; I43-L65 HydrophobicContact CG1-CD1 4.35Å; I43-L65 HydrophobicContact CG1-CD2 4.45Å; I43-L65 HydrophobicContact CG2-CD1 3.68Å
44T93.4Very high93.1Very high54 Ų5455.2 Ų55.233%0.33129%0.288SS..Hα-helixtrans-63.5-43.6174.4-61.10000111.4N40 C42 F47 S48 L62N40-T44 WeakPolarHBondContact O-CB 3.39Å; N40-T44 PolarHBondContact O-N 2.8Å; N40-T44 PolarHBondContact O-OG1 3.48Å; N40-T44 PolarHBondContact OD1-OG1 3.44Å; C42-T44 VanDerWaalsContact C-N 3.33Å; T44-F47 PolarHBondContact O-N 3.4Å; T44-S48 PolarHBondContact O-N 3.18Å; T44-L62 HydrophobicContact CG2-CD2 4.2Å
45Q94.2Very high93.2Very high112 Ų11257.5 Ų57.552%0.52330%0.301SS..Hα-helixtrans-63.3-42.9174.4-175.6178.9-7.800111.4M1 A41 C42 F47 S48M1-Q45 HydrophobicContact CE-CB 4.2Å; A41-Q45 WeakPolarHBondContact O-CB 3.5Å; A41-Q45 PolarHBondContact O-N 3.44Å; C42-Q45 PolarHBondContact O-N 3.16Å; Q45-F47 PolarHBondContact O-N 3.41Å; Q45-S48 WeakPolarHBondContact O-CB 3.44Å; Q45-S48 PolarHBondContact O-N 3.22Å; Q45-S48 PolarHBondContact O-OG 3.1Å
46W93.3Very high93.3Very high87 Ų8754.3 Ų54.333%0.3329%0.288SS..Hα-helixtrans-59.1-45.7176.2178.7-97000112.6C42 I43 S48 Q49 Q50 I52 P54C42-W46 PolarHBondContact O-N 2.88Å; I43-W46 HydrophobicContact CD1-CB 4.46Å; I43-W46 PolarHBondContact O-N 3.33Å; W46-S48 PolarHBondContact O-N 3.38Å; W46-Q49 PolarHBondContact O-N 2.9Å; W46-Q50 PolarHBondContact O-N 3.46Å; W46-I52 PolarHBondContact NE1-O 3.32Å; W46-P54 HydrophobicContact CD2-CG 4.03Å; W46-P54 HydrophobicContact CG-CG 3.92Å
47F92.6Very high93.1Very high13 Ų1361.2 Ų61.26%0.05731%0.312CS..Hα-helixtrans-66.3-16179.1-71.6-18.1000115I43 T44 Q45 Q49 Q50 I52 V60 L62 L65I43-F47 HydrophobicContact CD1-CD1 4.24Å; I43-F47 HydrophobicContact CD1-CE1 3.73Å; I43-F47 HydrophobicContact CD1-CE2 4.19Å; I43-F47 HydrophobicContact CD1-CZ 3.72Å; I43-F47 HydrophobicContact CG1-CD1 4.46Å; I43-F47 HydrophobicContact CG1-CD2 3.98Å; I43-F47 HydrophobicContact CG1-CE1 4.07Å; I43-F47 HydrophobicContact CG1-CE2 3.6Å; I43-F47 HydrophobicContact CG1-CG 4.45Å; I43-F47 HydrophobicContact CG1-CZ 3.63Å; I43-F47 WeakPolarHBondContact O-CB 3.44Å; I43-F47 WeakPolarHBondContact O-CG 3.49Å; I43-F47 PolarHBondContact O-N 2.82Å; T44-F47 PolarHBondContact O-N 3.4Å; Q45-F47 PolarHBondContact O-N 3.41Å; F47-Q49 PolarHBondContact O-N 3.48Å; F47-Q50 WeakPolarHBondContact CA-O 3.3Å; F47-Q50 VanDerWaalsContact CD1-O 3.29Å; F47-Q50 WeakPolarHBondContact CD1-O 3.35Å; F47-I52 WeakPolarHBondContact CE1-O 3.28Å; F47-V60 HydrophobicContact CE1-CB 4.43Å; F47-V60 HydrophobicContact CE2-CG1 4.26Å; F47-V60 HydrophobicContact CZ-CB 3.87Å; F47-V60 HydrophobicContact CZ-CG1 3.68Å; F47-L62 HydrophobicContact CB-CG 4.18Å; F47-L62 HydrophobicContact CD2-CB 4.41Å; F47-L62 HydrophobicContact CD2-CD2 3.74Å; F47-L62 HydrophobicContact CD2-CG 3.65Å; F47-L62 HydrophobicContact CG-CG 4.4Å; F47-L65 HydrophobicContact CD2-CD1 4.38Å; F47-L65 HydrophobicContact CE2-CD1 3.86Å; F47-L65 HydrophobicContact CE2-CD2 4.14Å; F47-L65 HydrophobicContact CE2-CG 4.06Å
48S90.3Very high92.9Very high95 Ų9562.1 Ų62.166%0.66432%0.318SS*.THydrogen-bonded Turntrans-65.3-21.3168.675.60000112.7T44 Q45 W46T44-S48 PolarHBondContact O-N 3.18Å; Q45-S48 WeakPolarHBondContact O-CB 3.44Å; Q45-S48 PolarHBondContact O-N 3.22Å; Q45-S48 PolarHBondContact O-OG 3.1Å; W46-S48 PolarHBondContact O-N 3.38Å
49Q89.1Confident92.5Very high148 Ų14867.6 Ų67.669%0.69235%0.351SS*.THydrogen-bonded Turntrans-109.5-47-179.4-60.1179.620.500111.3W46 F47W46-Q49 PolarHBondContact O-N 2.9Å; F47-Q49 PolarHBondContact O-N 3.48Å
50Q87.9Confident92Very high102 Ų10267.7 Ų67.748%0.47735%0.351SS..  trans-141.8127.5-176.7-57.1-153.32.600112.5W46 F47 I52W46-Q50 PolarHBondContact O-N 3.46Å; F47-Q50 WeakPolarHBondContact CA-O 3.3Å; F47-Q50 VanDerWaalsContact CD1-O 3.29Å; F47-Q50 WeakPolarHBondContact CD1-O 3.35Å; Q50-I52 HydrophobicContact CB-CG1 4.03Å; Q50-I52 PolarHBondContact O-N 3.09Å; Q50-I52 VanDerWaalsContact O-N 3.08Å
51Q89.4Confident91.4Very high119 Ų11966.4 Ų66.456%0.55635%0.346SS*.SBendtrans-87.654.8178.4-62.4-172.7300112.4V60Q51-V60 CarbonylContact C-O 3.47Å; Q51-V60 PolarHBondContact O-N 3.27Å; Q51-V60 VanDerWaalsContact O-O 3.07Å
52I92.1Very high91Very high42 Ų4268.4 Ų68.422%0.21535%0.349CS..BIsolated β-bridgetrans-135.5151.6176.461173000110.2W46 F47 Q50 R57 S58W46-I52 PolarHBondContact NE1-O 3.32Å; F47-I52 WeakPolarHBondContact CE1-O 3.28Å; Q50-I52 HydrophobicContact CB-CG1 4.03Å; Q50-I52 PolarHBondContact O-N 3.09Å; Q50-I52 VanDerWaalsContact O-N 3.08Å; I52-R57 HydrophobicContact CD1-CB 4.3Å; I52-R57 HydrophobicContact CD1-CG 4.41Å; I52-S58 CarbonylContact C-O 3.57Å; I52-S58 VanDerWaalsContact CA-O 3.27Å; I52-S58 WeakPolarHBondContact CA-O 3.32Å
53C92.9Very high90.5Very high1 Ų172.5 Ų72.51%0.00738%0.384CS..  trans-63.2129.7173.3177.40000110.9V55 D56 R57 S58 V60C53-V55 PolarHBondContact O-N 3.46Å; C53-D56 WeakPolarHBondContact CB-OD1 3.38Å; C53-D56 PolarHBondContact SG-OD1 2.76Å; C53-R57 WeakPolarHBondContact O-CA 3.5Å; C53-R57 PolarHBondContact O-N 2.9Å; C53-S58 VanDerWaalsContact CB-OG 3.24Å; C53-S58 WeakPolarHBondContact CB-OG 3.26Å; C53-S58 PolarHBondContact N-O 3.09Å; C53-V60 HydrophobicContact CB-CG2 4.2Å
54P92.9Very high90.1Very high40 Ų4077.1 Ų77.126%0.2641%0.405SS..THydrogen-bonded Turntrans-61.1-23.4178.1-24.531.8000115.3I20 F38 I43 W46I20-P54 HydrophobicContact CD1-CG 3.91Å; I20-P54 HydrophobicContact CG1-CB 4.28Å; I20-P54 HydrophobicContact CG1-CG 4.01Å; F38-P54 HydrophobicContact CE1-CB 4.26Å; F38-P54 HydrophobicContact CE1-CG 3.97Å; F38-P54 HydrophobicContact CZ-CG 4.23Å; I43-P54 HydrophobicContact CD1-CG 3.87Å; W46-P54 HydrophobicContact CD2-CG 4.03Å; W46-P54 HydrophobicContact CG-CG 3.92Å
55V93.3Very high90Very high69 Ų6976 Ų7642%0.41840%0.397SS..THydrogen-bonded Turntrans-90.8-51.1-172.6-175.30000111.6P19 H36 F38 C53P19-V55 HydrophobicContact CB-CG2 3.92Å; P19-V55 HydrophobicContact CG-CG2 3.93Å; H36-V55 HydrophobicContact CB-CG2 4.34Å; H36-V55 VanDerWaalsContact NE2-CG1 3.33Å; H36-V55 WeakPolarHBondContact NE2-CG1 3.43Å; F38-V55 HydrophobicContact CE1-CG2 3.89Å; F38-V55 HydrophobicContact CZ-CG2 3.88Å; C53-V55 PolarHBondContact O-N 3.46Å
56D93.9Very high90Very high74 Ų7478.4 Ų78.440%0.39640%0.401SS..THydrogen-bonded Turntrans-1191.5-171.970.6-6.3000114.1C34 H36 C53 S58C34-D56 WeakPolarHBondContact CB-OD2 3.35Å; H36-D56 IonicContact CE1-OD2 3.6Å; H36-D56 IonicContact ND1-OD2 3.96Å; C53-D56 WeakPolarHBondContact CB-OD1 3.38Å; C53-D56 PolarHBondContact SG-OD1 2.76Å; D56-S58 PolarHBondContact O-N 3.28Å; D56-S58 VanDerWaalsContact O-N 3.14Å; D56-S58 VanDerWaalsContact OD1-CB 3.32Å; D56-S58 WeakPolarHBondContact OD1-CB 3.35Å; D56-S58 PolarHBondContact OD1-N 2.84Å; D56-S58 PolarHBondContact OD1-OG 3.1Å; D56-S58 PolarHBondContact OD2-OG 2.62Å
57R91.3Very high90Very high201 Ų20178.7 Ų78.776%0.75841%0.414SS*.  trans6116.2179.8-50.9178.5-176.9-178.80.1114.7I52 C53I52-R57 HydrophobicContact CD1-CB 4.3Å; I52-R57 HydrophobicContact CD1-CG 4.41Å; C53-R57 WeakPolarHBondContact O-CA 3.5Å; C53-R57 PolarHBondContact O-N 2.9Å
58S90Very high90.1Very high32 Ų3278.2 Ų78.222%0.22441%0.412CS..  trans-59.7144.7171.155.80000111C34 I52 C53 D56 V60C34-S58 PolarHBondContact SG-OG 3.03Å; C34-S58 VanDerWaalsContact SG-OG 3.36Å; I52-S58 CarbonylContact C-O 3.57Å; I52-S58 VanDerWaalsContact CA-O 3.27Å; I52-S58 WeakPolarHBondContact CA-O 3.32Å; C53-S58 VanDerWaalsContact CB-OG 3.24Å; C53-S58 WeakPolarHBondContact CB-OG 3.26Å; C53-S58 PolarHBondContact N-O 3.09Å; D56-S58 PolarHBondContact O-N 3.28Å; D56-S58 VanDerWaalsContact O-N 3.14Å; D56-S58 VanDerWaalsContact OD1-CB 3.32Å; D56-S58 WeakPolarHBondContact OD1-CB 3.35Å; D56-S58 PolarHBondContact OD1-N 2.84Å; D56-S58 PolarHBondContact OD1-OG 3.1Å; D56-S58 PolarHBondContact OD2-OG 2.62Å; S58-V60 PolarHBondContact O-N 3.26Å
59V87.8Confident90.3Very high116 Ų11676.4 Ų76.470%0.70340%0.398SS*.BIsolated β-bridgetrans-70.4116.7178.2178.70000109
60V86.9Confident90.5Very high3 Ų379 Ų792%0.01840%0.402CS..  trans-139.5136.5-179.5-176.30000108.5A31 F47 Q51 C53 S58 L65A31-V60 HydrophobicContact CB-CG1 4.06Å; A31-V60 HydrophobicContact CB-CG2 4.1Å; F47-V60 HydrophobicContact CE1-CB 4.43Å; F47-V60 HydrophobicContact CE2-CG1 4.26Å; F47-V60 HydrophobicContact CZ-CB 3.87Å; F47-V60 HydrophobicContact CZ-CG1 3.68Å; Q51-V60 CarbonylContact C-O 3.47Å; Q51-V60 PolarHBondContact O-N 3.27Å; Q51-V60 VanDerWaalsContact O-O 3.07Å; C53-V60 HydrophobicContact CB-CG2 4.2Å; S58-V60 PolarHBondContact O-N 3.26Å; V60-L65 HydrophobicContact CG1-CD2 4.27Å
61T83.6Confident90.8Very high33 Ų3379.7 Ų79.720%0.20241%0.408CS..  trans-115.5159.117767.20000110.2A63 H64T61-A63 PolarHBondContact O-N 2.95Å; T61-H64 PolarHBondContact O-N 3.33Å; T61-H64 PolarHBondContact OG1-CE1 3.23Å; T61-H64 PolarHBondContact OG1-ND1 3.43Å; T61-H64 VanDerWaalsContact OG1-ND1 3.08Å
62L85.1Confident91Very high89 Ų8975.5 Ų75.547%0.46639%0.388SS..G310 helixtrans-51.2-40.4176.8-85.4169.4000112.9T44 F47 H64 L65T44-L62 HydrophobicContact CG2-CD2 4.2Å; F47-L62 HydrophobicContact CB-CG 4.18Å; F47-L62 HydrophobicContact CD2-CB 4.41Å; F47-L62 HydrophobicContact CD2-CD2 3.74Å; F47-L62 HydrophobicContact CD2-CG 3.65Å; F47-L62 HydrophobicContact CG-CG 4.4Å; L62-H64 PolarHBondContact O-N 3.47Å; L62-L65 HydrophobicContact CD2-CD1 4.03Å; L62-L65 PolarHBondContact O-N 3Å
63A85.8Confident91.1Very high91 Ų9178.9 Ų78.975%0.75240%0.398SS*.G310 helixtrans-66.1-20.3-177.500000113.7T61T61-A63 PolarHBondContact O-N 2.95Å
64H85.6Confident91.1Very high98 Ų9883.2 Ų83.245%0.45442%0.422SS..G310 helixtrans-93.5-10.3-178.8-62151000113.3P32 T61 L62 R66P32-H64 WeakPolarHBondContact CD-O 3.48Å; P32-H64 HydrophobicContact CG-CB 4.25Å; P32-H64 VanDerWaalsContact CG-O 3.23Å; P32-H64 WeakPolarHBondContact CG-O 3.34Å; T61-H64 PolarHBondContact O-N 3.33Å; T61-H64 PolarHBondContact OG1-CE1 3.23Å; T61-H64 PolarHBondContact OG1-ND1 3.43Å; T61-H64 VanDerWaalsContact OG1-ND1 3.08Å; L62-H64 PolarHBondContact O-N 3.47Å; H64-R66 PolarHBondContact O-N 3.06Å
65L91.7Very high91.2Very high30 Ų3085.7 Ų85.716%0.15743%0.431CS..  trans-62.6137.4177.9-67.3176.6000110.9V29 I43 F47 V60 L62V29-L65 HydrophobicContact CB-CB 4.41Å; V29-L65 HydrophobicContact CG2-CD1 4.07Å; V29-L65 HydrophobicContact CG2-CD2 4.48Å; I43-L65 HydrophobicContact CG1-CD1 4.35Å; I43-L65 HydrophobicContact CG1-CD2 4.45Å; I43-L65 HydrophobicContact CG2-CD1 3.68Å; F47-L65 HydrophobicContact CD2-CD1 4.38Å; F47-L65 HydrophobicContact CE2-CD1 3.86Å; F47-L65 HydrophobicContact CE2-CD2 4.14Å; F47-L65 HydrophobicContact CE2-CG 4.06Å; V60-L65 HydrophobicContact CG1-CD2 4.27Å; L62-L65 HydrophobicContact CD2-CD1 4.03Å; L62-L65 PolarHBondContact O-N 3Å
66R93.8Very high91.3Very high164 Ų16482.8 Ų82.862%0.61941%0.413SS*.EExtended strand (participates in β ladder)trans-119.4155.4176.8-66-172.6178.5-178.7-0.5110.5V29 Q30 H64V29-R66 CarbonylContact C-O 3.57Å; V29-R66 WeakPolarHBondContact CA-O 3.45Å; Q30-R66 PolarHBondContact N-O 2.94Å; Q30-R66 PolarHBondContact O-N 3.35Å; H64-R66 PolarHBondContact O-N 3.06Å
67P93.6Very high91.3Very high93 Ų9380.5 Ų80.560%0.60440%0.403SS*.EExtended strand (participates in β ladder)trans-58.3142.6167.6-20.632.3000110.3
68V94.8Very high91.4Very high3 Ų378 Ų782%0.01840%0.397CS..PPolyproline II helixtrans-58.2153.5175-70.10000112.4P28 Q30 A37 M72 R73P28-V68 HydrophobicContact CB-CB 4.3Å; P28-V68 HydrophobicContact CB-CG1 3.67Å; P28-V68 HydrophobicContact CB-CG2 3.66Å; P28-V68 HydrophobicContact CG-CG1 4.47Å; P28-V68 HydrophobicContact CG-CG2 3.49Å; P28-V68 VanDerWaalsContact CG-CG2 3.49Å; Q30-V68 HydrophobicContact CB-CG1 4.01Å; A37-V68 HydrophobicContact CB-CG1 3.88Å; V68-M72 HydrophobicContact CB-CB 4.44Å; V68-M72 HydrophobicContact CB-CG 4.46Å; V68-M72 HydrophobicContact CB-SD 3.84Å; V68-M72 HydrophobicContact CG1-SD 3.65Å; V68-M72 HydrophobicContact CG2-CG 4.47Å; V68-M72 HydrophobicContact CG2-SD 4.34Å; V68-R73 HydrophobicContact CG2-CB 4.49Å; V68-R73 PolarHBondContact O-NH2 3.24Å
69P94.2Very high91.7Very high57 Ų5777.9 Ų77.937%0.3739%0.394SS..PPolyproline II helixtrans-53.6149.7176.7-27.336.1000112.8I71 M72 R73P69-I71 HydrophobicContact CB-CG2 4.21Å; P69-I71 PolarHBondContact O-N 3.28Å; P69-I71 VanDerWaalsContact O-N 3.14Å; P69-M72 PolarHBondContact O-N 3.05Å; P69-M72 VanDerWaalsContact O-N 3.15Å; P69-R73 PolarHBondContact O-N 2.99Å; P69-R73 VanDerWaalsContact O-N 3.13Å
70R93.6Very high92.1Very high202 Ų20277.4 Ų77.476%0.76238%0.384SS*.Hα-helixtrans-56.4-34.5-177.5-70.3-173.5178.5-173.3-0.4112.8R73 N74R70-R73 PolarHBondContact O-N 2.82Å; R70-N74 WeakPolarHBondContact O-CB 3.37Å; R70-N74 PolarHBondContact O-N 2.95Å; R70-N74 PolarHBondContact O-ND2 3.47Å; R70-N74 PolarHBondContact O-OD1 3.45Å
71I94.1Very high92.5Very high117 Ų11777.2 Ų77.260%0.638%0.383SS*.Hα-helixtrans-61.8-47.9179.4-168.4164.2000111.7P69 N74 M75P69-I71 HydrophobicContact CB-CG2 4.21Å; P69-I71 PolarHBondContact O-N 3.28Å; P69-I71 VanDerWaalsContact O-N 3.14Å; I71-N74 WeakPolarHBondContact O-CB 3.45Å; I71-N74 PolarHBondContact O-N 3.08Å; I71-M75 HydrophobicContact CG1-CE 4.49Å; I71-M75 HydrophobicContact CG1-SD 4.29Å; I71-M75 WeakPolarHBondContact O-CG 3.41Å; I71-M75 PolarHBondContact O-N 3.39Å
72M94.2Very high93.1Very high31 Ų3178.1 Ų78.115%0.15339%0.387CS..Hα-helixtrans-64.5-42.2177-176.2179.7-85.800111.2L16 L25 A37 V68 P69 N74 M75 L76L16-M72 HydrophobicContact CD2-CG 3.72Å; L25-M72 HydrophobicContact CD1-SD 4.19Å; A37-M72 HydrophobicContact CB-CE 4.33Å; A37-M72 HydrophobicContact CB-SD 3.97Å; V68-M72 HydrophobicContact CB-CB 4.44Å; V68-M72 HydrophobicContact CB-CG 4.46Å; V68-M72 HydrophobicContact CB-SD 3.84Å; V68-M72 HydrophobicContact CG1-SD 3.65Å; V68-M72 HydrophobicContact CG2-CG 4.47Å; V68-M72 HydrophobicContact CG2-SD 4.34Å; P69-M72 PolarHBondContact O-N 3.05Å; P69-M72 VanDerWaalsContact O-N 3.15Å; M72-N74 VanDerWaalsContact C-N 3.31Å; M72-N74 PolarHBondContact O-N 3.33Å; M72-M75 WeakPolarHBondContact O-CB 3.4Å; M72-M75 PolarHBondContact O-N 3.22Å; M72-L76 HydrophobicContact CG-CD1 4.33Å; M72-L76 WeakPolarHBondContact O-CG 3.37Å; M72-L76 PolarHBondContact O-N 3.44Å
73R93.8Very high93.5Very high113 Ų11374 Ų7443%0.42637%0.365SS..Hα-helixtrans-59.8-41.3174.3-167.6-177.8-54.8163.76.7112.2V68 P69 R70 S77V68-R73 HydrophobicContact CG2-CB 4.49Å; V68-R73 PolarHBondContact O-NH2 3.24Å; P69-R73 PolarHBondContact O-N 2.99Å; P69-R73 VanDerWaalsContact O-N 3.13Å; R70-R73 PolarHBondContact O-N 2.82Å; R73-S77 VanDerWaalsContact O-CB 3.32Å; R73-S77 WeakPolarHBondContact O-CB 3.37Å; R73-S77 PolarHBondContact O-N 3.41Å; R73-S77 PolarHBondContact O-OG 3Å
74N94.1Very high93.8Very high92 Ų9273.4 Ų73.449%0.49235%0.35SS..Hα-helixtrans-68.6-37177.7-71.1-14.6000111.8R70 I71 M72 S77 K78R70-N74 WeakPolarHBondContact O-CB 3.37Å; R70-N74 PolarHBondContact O-N 2.95Å; R70-N74 PolarHBondContact O-ND2 3.47Å; R70-N74 PolarHBondContact O-OD1 3.45Å; I71-N74 WeakPolarHBondContact O-CB 3.45Å; I71-N74 PolarHBondContact O-N 3.08Å; M72-N74 VanDerWaalsContact C-N 3.31Å; M72-N74 PolarHBondContact O-N 3.33Å; N74-S77 PolarHBondContact O-N 2.79Å; N74-K78 VanDerWaalsContact O-CG 3.29Å; N74-K78 WeakPolarHBondContact O-CG 3.5Å; N74-K78 PolarHBondContact O-N 3.1Å
75M94.4Very high94Very high92 Ų9269.4 Ų69.445%0.45333%0.331SS..Hα-helixtrans-62.3-52.3173.5-72.9166.6148.600110.6L16 I71 M72 S77 K78 L79L16-M75 HydrophobicContact CD1-CB 4.15Å; L16-M75 HydrophobicContact CD2-CB 4.3Å; I71-M75 HydrophobicContact CG1-CE 4.49Å; I71-M75 HydrophobicContact CG1-SD 4.29Å; I71-M75 WeakPolarHBondContact O-CG 3.41Å; I71-M75 PolarHBondContact O-N 3.39Å; M72-M75 WeakPolarHBondContact O-CB 3.4Å; M72-M75 PolarHBondContact O-N 3.22Å; M75-S77 VanDerWaalsContact C-N 3.32Å; M75-S77 PolarHBondContact O-N 3.33Å; M75-K78 PolarHBondContact O-N 3.31Å; M75-L79 PolarHBondContact O-N 3.39Å
76L94.5Very high93.9Very high7 Ų770.1 Ų70.14%0.03734%0.341CS..Hα-helixtrans-54.7-46.5174.4-73.3166.8000112L16 V24 L25 P28 M72 K78 L79 L96L16-L76 HydrophobicContact CB-CD2 3.93Å; L16-L76 HydrophobicContact CD1-CD2 4.25Å; L16-L76 HydrophobicContact CD2-CD2 4.17Å; L16-L76 HydrophobicContact CD2-CG 4.04Å; L16-L76 HydrophobicContact CG-CD2 4.34Å; V24-L76 HydrophobicContact CG1-CD2 3.65Å; L25-L76 HydrophobicContact CB-CD1 4.23Å; L25-L76 HydrophobicContact CB-CD2 4.31Å; P28-L76 HydrophobicContact CB-CD1 4.26Å; P28-L76 HydrophobicContact CG-CD1 3.67Å; M72-L76 HydrophobicContact CG-CD1 4.33Å; M72-L76 WeakPolarHBondContact O-CG 3.37Å; M72-L76 PolarHBondContact O-N 3.44Å; L76-K78 PolarHBondContact O-N 2.85Å; L76-L79 HydrophobicContact CD2-CD1 4.14Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.47Å; L76-L96 HydrophobicContact CB-CD2 4.4Å; L76-L96 WeakPolarHBondContact O-CB 3.43Å; L76-L96 WeakPolarHBondContact O-CD2 3.37Å
77S94.1Very high93.6Very high27 Ų2766 Ų6619%0.18935%0.351CS..Hα-helixtrans-63.3-24.1-178.9-57.90000112.9R73 N74 M75 R95R73-S77 VanDerWaalsContact O-CB 3.32Å; R73-S77 WeakPolarHBondContact O-CB 3.37Å; R73-S77 PolarHBondContact O-N 3.41Å; R73-S77 PolarHBondContact O-OG 3Å; N74-S77 PolarHBondContact O-N 2.79Å; M75-S77 VanDerWaalsContact C-N 3.32Å; M75-S77 PolarHBondContact O-N 3.33Å; S77-R95 VanDerWaalsContact C-NH2 3.34Å; S77-R95 VanDerWaalsContact O-CZ 3.31Å; S77-R95 PolarHBondContact O-NE 3.5Å; S77-R95 PolarHBondContact O-NH2 3.04Å
78K94.1Very high93.2Very high147 Ų14767.9 Ų67.964%0.63935%0.349SS*.Hα-helixtrans-87.1-18.2-179.7-74.9173.6-177.3-177.40113.3N74 M75 L76 Q80N74-K78 VanDerWaalsContact O-CG 3.29Å; N74-K78 WeakPolarHBondContact O-CG 3.5Å; N74-K78 PolarHBondContact O-N 3.1Å; M75-K78 PolarHBondContact O-N 3.31Å; L76-K78 PolarHBondContact O-N 2.85Å; K78-Q80 PolarHBondContact O-N 3.29Å
79L95.5Very high92.8Very high31 Ų3169.7 Ų69.716%0.16237%0.368CS..  trans-56.2136.9177.7-64.3178.8000110.1F8 V12 L16 V24 M75 L76 R95 L96F8-L79 HydrophobicContact CD1-CB 3.7Å; F8-L79 HydrophobicContact CD1-CD1 4.16Å; F8-L79 HydrophobicContact CD1-CG 4.49Å; F8-L79 HydrophobicContact CE1-CB 3.66Å; F8-L79 HydrophobicContact CE1-CD1 3.88Å; F8-L79 HydrophobicContact CE1-CG 4.43Å; V12-L79 HydrophobicContact CG1-CD1 4.06Å; L16-L79 HydrophobicContact CD1-CD1 4Å; L16-L79 HydrophobicContact CD1-CD2 4.35Å; L16-L79 HydrophobicContact CD1-CG 4.41Å; V24-L79 HydrophobicContact CG1-CD1 3.76Å; M75-L79 PolarHBondContact O-N 3.39Å; L76-L79 HydrophobicContact CD2-CD1 4.14Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.47Å; L79-R95 CarbonylContact O-C 3.59Å; L79-R95 WeakPolarHBondContact O-CA 3.44Å; L79-L96 PolarHBondContact O-N 2.88Å
80Q96.6Very high92.7Very high105 Ų10567.3 Ų67.349%0.49135%0.353SS..EExtended strand (participates in β ladder)trans-94.1127176.9-71.8-170.8-34.600109.4F8 Q9 K78 V93 L94F8-Q80 CarbonylContact C-O 3.53Å; F8-Q80 VanDerWaalsContact CA-O 3.29Å; F8-Q80 WeakPolarHBondContact CA-O 3.31Å; F8-Q80 WeakPolarHBondContact CD1-O 3.21Å; Q9-Q80 HydrophobicContact CB-CB 4.04Å; Q9-Q80 HydrophobicContact CG-CB 4.28Å; Q9-Q80 PolarHBondContact N-O 3.16Å; K78-Q80 PolarHBondContact O-N 3.29Å; Q80-V93 HydrophobicContact CB-CG1 4.02Å; Q80-L94 CarbonylContact C-O 3.56Å; Q80-L94 VanDerWaalsContact CA-O 3.28Å; Q80-L94 WeakPolarHBondContact CA-O 3.28Å
81I96.1Very high92.7Very high0 Ų064.2 Ų64.20%036%0.357CS..EExtended strand (participates in β ladder)trans-129.5144.9-175.4-163.3-178.9000110.9Y3 R7 F8 L94 L96 L99Y3-I81 HydrophobicContact CD1-CD1 4.1Å; Y3-I81 HydrophobicContact CG-CD1 4.41Å; R7-I81 HydrophobicContact CB-CD1 4.19Å; R7-I81 HydrophobicContact CB-CG1 3.79Å; R7-I81 WeakPolarHBondContact O-CA 3.43Å; F8-I81 HydrophobicContact CD1-CB 3.87Å; F8-I81 HydrophobicContact CD1-CG1 4.1Å; F8-I81 HydrophobicContact CD2-CD1 4.35Å; F8-I81 HydrophobicContact CD2-CG1 4.26Å; F8-I81 HydrophobicContact CE1-CB 3.79Å; F8-I81 HydrophobicContact CE1-CD1 3.99Å; F8-I81 HydrophobicContact CE1-CG1 3.99Å; F8-I81 HydrophobicContact CE2-CD1 3.74Å; F8-I81 HydrophobicContact CE2-CG1 4.12Å; F8-I81 HydrophobicContact CG-CB 4.47Å; F8-I81 HydrophobicContact CG-CG1 4.27Å; F8-I81 HydrophobicContact CZ-CB 4.29Å; F8-I81 HydrophobicContact CZ-CD1 3.56Å; F8-I81 HydrophobicContact CZ-CG1 4.01Å; I81-L94 PolarHBondContact N-O 3.14Å; I81-L94 PolarHBondContact O-N 3.05Å; I81-L96 HydrophobicContact CB-CD1 4.48Å; I81-L96 HydrophobicContact CD1-CD1 3.98Å; I81-L96 HydrophobicContact CG2-CD1 4.01Å; I81-L99 HydrophobicContact CD1-CD2 3.97Å; I81-L99 HydrophobicContact CG2-CB 4.26Å; I81-L99 HydrophobicContact CG2-CD1 4.23Å; I81-L99 HydrophobicContact CG2-CD2 4.08Å; I81-L99 HydrophobicContact CG2-CG 4.42Å
82N95.8Very high92.6Very high51 Ų5160 Ų6027%0.27334%0.34SS..EExtended strand (participates in β ladder)trans-79.1140.5170.3-65.614.4000110.6R7 Q9R7-N82 PolarHBondContact NE-O 2.97Å; R7-N82 PolarHBondContact NH2-O 2.99Å; R7-N82 PolarHBondContact O-N 3.27Å; Q9-N82 PolarHBondContact NE2-OD1 3.03Å
83C93.9Very high92.7Very high2 Ų261.9 Ų61.91%0.01435%0.352CS..  trans-55.7144.1175.3179.70000112.2N85 A86 C90 A92 H102C83-N85 PolarHBondContact O-N 2.68Å; C83-N85 VanDerWaalsContact O-N 3.11Å; C83-N85 PolarHBondContact SG-N 3.2Å; C83-A86 VanDerWaalsContact O-CB 3.3Å; C83-A86 WeakPolarHBondContact O-CB 3.47Å; C83-A86 PolarHBondContact O-N 3.06Å; C83-C90 HydrophobicContact CB-CB 4.04Å; C83-A92 PolarHBondContact N-O 3.25Å; C83-H102 PolarHBondContact SG-CD2 3.21Å; C83-H102 PolarHBondContact SG-NE2 3.13Å
84D90.6Very high92.7Very high80 Ų8057.5 Ų57.543%0.42834%0.337SS..G310 helixtrans-55-29.7173.5-65.6-81.6000112.4R7 A86 L103R7-D84 VanDerWaalsContact CZ-CG 3.5Å; R7-D84 IonicContact CZ-OD1 3.69Å; R7-D84 IonicContact CZ-OD2 2.62Å; R7-D84 IonicContact NH1-OD1 3.77Å; R7-D84 PolarHBondContact NH1-OD1 3.17Å; R7-D84 IonicContact NH1-OD2 3.84Å; R7-D84 IonicContact NH2-OD1 2.65Å; R7-D84 PolarHBondContact NH2-OD1 3.34Å; R7-D84 VanDerWaalsContact NH2-OD1 3.1Å; R7-D84 IonicContact NH2-OD2 3.69Å; R7-D84 PolarHBondContact NH2-OD2 3.5Å; D84-A86 PolarHBondContact O-N 2.9Å; D84-L103 HydrophobicContact CB-CD2 3.94Å; D84-L103 WeakPolarHBondContact OD2-CD1 3.46Å; D84-L103 WeakPolarHBondContact OD2-CD2 3.29Å
85N91.1Very high92.8Very high14 Ų1457.1 Ų57.18%0.07533%0.329CS..G310 helixtrans-86.818.2-179.7-55.9-54.6000113.5C83 G87 F88 G89 C90 H108 N109C83-N85 PolarHBondContact O-N 2.68Å; C83-N85 VanDerWaalsContact O-N 3.11Å; C83-N85 PolarHBondContact SG-N 3.2Å; N85-G87 VanDerWaalsContact C-N 3.28Å; N85-G87 PolarHBondContact O-N 2.9Å; N85-F88 HydrophobicContact CB-CB 4.47Å; N85-F88 HydrophobicContact CB-CD2 4.27Å; N85-F88 CarbonylContact O-C 3.49Å; N85-F88 WeakPolarHBondContact O-CA 3.32Å; N85-F88 PolarHBondContact O-N 3.21Å; N85-G89 PolarHBondContact O-N 2.91Å; N85-C90 HydrophobicContact CB-CB 4.06Å; N85-C90 VanDerWaalsContact O-CB 3.28Å; N85-C90 WeakPolarHBondContact O-CB 3.31Å; N85-C90 PolarHBondContact O-N 3.23Å; N85-H108 HydrophobicContact CB-CB 4.24Å; N85-N109 WeakPolarHBondContact ND2-CB 3.4Å
86A89.6Confident92.8Very high44 Ų4453.5 Ų53.536%0.36431%0.311SS..G310 helixtrans-58.6-39176.800000112.6C83 D84 F88 G89 C90C83-A86 VanDerWaalsContact O-CB 3.3Å; C83-A86 WeakPolarHBondContact O-CB 3.47Å; C83-A86 PolarHBondContact O-N 3.06Å; D84-A86 PolarHBondContact O-N 2.9Å; A86-F88 PolarHBondContact O-N 3.38Å; A86-G89 PolarHBondContact O-N 3.3Å; A86-C90 VanDerWaalsContact CA-O 3.26Å; A86-C90 WeakPolarHBondContact CA-O 3.49Å
87G86.4Confident92.8Very high79 Ų7957 Ų5781%0.81433%0.33SS*.G310 helixtrans-63.8-19.1173.600000114.3N85N85-G87 VanDerWaalsContact C-N 3.28Å; N85-G87 PolarHBondContact O-N 2.9Å
88F85Confident92.8Very high131 Ų13160.3 Ų60.358%0.57534%0.342SS*.G310 helixtrans-98.810.6175.6-58.8-75.5000112.9N85 A86 H108 P110N85-F88 HydrophobicContact CB-CB 4.47Å; N85-F88 HydrophobicContact CB-CD2 4.27Å; N85-F88 CarbonylContact O-C 3.49Å; N85-F88 WeakPolarHBondContact O-CA 3.32Å; N85-F88 PolarHBondContact O-N 3.21Å; A86-F88 PolarHBondContact O-N 3.38Å; F88-H108 HydrophobicContact CB-CB 4.47Å; F88-H108 WeakPolarHBondContact CB-O 3.31Å; F88-H108 PolarHBondContact O-CD2 2.85Å; F88-P110 HydrophobicContact CD1-CG 4.22Å; F88-P110 HydrophobicContact CD2-CG 4.07Å; F88-P110 HydrophobicContact CE1-CG 4.02Å; F88-P110 HydrophobicContact CE2-CG 3.87Å; F88-P110 HydrophobicContact CG-CG 4.26Å; F88-P110 HydrophobicContact CZ-CG 3.84Å
89G86.9Confident92.8Very high41 Ų4153.3 Ų53.342%0.42331%0.312SS..THydrogen-bonded Turntrans101.94.517600000115.4N85 A86 V91N85-G89 PolarHBondContact O-N 2.91Å; A86-G89 PolarHBondContact O-N 3.3Å; G89-V91 PolarHBondContact O-N 3.13Å
90C92.7Very high92.5Very high8 Ų856.3 Ų56.35%0.05433%0.325CS..  trans-74.8108.2175-164.60000111.8C83 N85 A86 A92 H102 H108C83-C90 HydrophobicContact CB-CB 4.04Å; N85-C90 HydrophobicContact CB-CB 4.06Å; N85-C90 VanDerWaalsContact O-CB 3.28Å; N85-C90 WeakPolarHBondContact O-CB 3.31Å; N85-C90 PolarHBondContact O-N 3.23Å; A86-C90 VanDerWaalsContact CA-O 3.26Å; A86-C90 WeakPolarHBondContact CA-O 3.49Å; C90-A92 VanDerWaalsContact C-N 3.27Å; C90-A92 PolarHBondContact O-N 3.04Å; C90-H102 PolarHBondContact SG-NE2 3.15Å; C90-H108 HydrophobicContact CB-CB 3.98Å
91V92.8Very high92.3Very high137 Ų13753.6 Ų53.683%0.8332%0.318SS*.  trans-87.88.7177.2-61.90000113.9G89 V93G89-V91 PolarHBondContact O-N 3.13Å; V91-V93 PolarHBondContact O-N 3Å
92A93.4Very high92.2Very high29 Ų2955.8 Ų55.824%0.2433%0.328CS..  trans-75.3122.6-171.100000111.3C83 C90 L94C83-A92 PolarHBondContact N-O 3.25Å; C90-A92 VanDerWaalsContact C-N 3.27Å; C90-A92 PolarHBondContact O-N 3.04Å; A92-L94 HydrophobicContact CB-CD2 3.43Å; A92-L94 VanDerWaalsContact CB-CD2 3.43Å
93V94.8Very high91.9Very high69 Ų6954.8 Ų54.842%0.41832%0.323SS..EExtended strand (participates in β ladder)trans-104.4120.6170.7-178.90000107.5Q9 Q80 V91Q9-V93 HydrophobicContact CG-CG1 3.75Å; Q80-V93 HydrophobicContact CB-CG1 4.02Å; V91-V93 PolarHBondContact O-N 3Å
94L94.9Very high91.6Very high21 Ų2162.5 Ų62.511%0.1135%0.352CS..EExtended strand (participates in β ladder)trans-130.1161.5-170.2-9.8157.7000109.7Q80 I81 A92 Q98 L99 H102Q80-L94 CarbonylContact C-O 3.56Å; Q80-L94 VanDerWaalsContact CA-O 3.28Å; Q80-L94 WeakPolarHBondContact CA-O 3.28Å; I81-L94 PolarHBondContact N-O 3.14Å; I81-L94 PolarHBondContact O-N 3.05Å; A92-L94 HydrophobicContact CB-CD2 3.43Å; A92-L94 VanDerWaalsContact CB-CD2 3.43Å; L94-Q98 HydrophobicContact CB-CB 4.42Å; L94-L99 HydrophobicContact CD1-CB 4.25Å; L94-L99 HydrophobicContact CD1-CD1 3.74Å; L94-H102 HydrophobicContact CD1-CB 3.51Å; L94-H102 HydrophobicContact CD2-CB 4.44Å
95R95.8Very high91.4Very high85 Ų8564.2 Ų64.232%0.32136%0.36SS..EExtended strand (participates in β ladder)trans-68.7145.1163.3-68.1-179.361.1-122.3-12.9110S77 L79 D97 Q98 L99S77-R95 VanDerWaalsContact C-NH2 3.34Å; S77-R95 VanDerWaalsContact O-CZ 3.31Å; S77-R95 PolarHBondContact O-NE 3.5Å; S77-R95 PolarHBondContact O-NH2 3.04Å; L79-R95 CarbonylContact O-C 3.59Å; L79-R95 WeakPolarHBondContact O-CA 3.44Å; R95-D97 WeakPolarHBondContact CB-OD1 3.38Å; R95-D97 IonicContact CZ-OD1 3.29Å; R95-D97 VanDerWaalsContact CZ-OD1 3.29Å; R95-D97 IonicContact CZ-OD2 3.1Å; R95-D97 IonicContact NE-OD1 3.77Å; R95-D97 IonicContact NH1-OD1 3.29Å; R95-D97 PolarHBondContact NH1-OD1 2.81Å; R95-D97 IonicContact NH1-OD2 2.78Å; R95-D97 PolarHBondContact NH1-OD2 2.93Å; R95-D97 VanDerWaalsContact NH2-CG 3.34Å; R95-D97 IonicContact NH2-OD1 3.44Å; R95-D97 PolarHBondContact NH2-OD1 3.05Å; R95-D97 IonicContact NH2-OD2 2.8Å; R95-D97 PolarHBondContact NH2-OD2 3.4Å; R95-D97 PolarHBondContact O-N 3.25Å; R95-D97 VanDerWaalsContact O-N 3.16Å; R95-Q98 HydrophobicContact CB-CG 4.48Å; R95-Q98 WeakPolarHBondContact O-CA 3.29Å; R95-Q98 WeakPolarHBondContact O-CB 3.31Å; R95-Q98 PolarHBondContact O-N 2.86Å; R95-L99 PolarHBondContact O-N 2.84Å
96L94.9Very high91.4Very high16 Ų1663.6 Ų63.68%0.08436%0.358CS..Hα-helixtrans-56.1-35.2-177.2-17362.4000112.7Y3 F8 L76 L79 I81 Q98 L99Y3-L96 HydrophobicContact CD1-CD1 4.28Å; Y3-L96 HydrophobicContact CD2-CD1 4.08Å; Y3-L96 HydrophobicContact CD2-CD2 4.34Å; Y3-L96 HydrophobicContact CE1-CD1 4.1Å; Y3-L96 HydrophobicContact CE2-CD1 3.89Å; Y3-L96 HydrophobicContact CE2-CD2 4.18Å; Y3-L96 HydrophobicContact CE2-CG 4.4Å; Y3-L96 HydrophobicContact CG-CD1 4.27Å; F8-L96 HydrophobicContact CE1-CD1 4.08Å; F8-L96 HydrophobicContact CE1-CD2 4.25Å; F8-L96 HydrophobicContact CZ-CD1 3.98Å; F8-L96 HydrophobicContact CZ-CD2 4.29Å; L76-L96 HydrophobicContact CB-CD2 4.4Å; L76-L96 WeakPolarHBondContact O-CB 3.43Å; L76-L96 WeakPolarHBondContact O-CD2 3.37Å; L79-L96 PolarHBondContact O-N 2.88Å; I81-L96 HydrophobicContact CB-CD1 4.48Å; I81-L96 HydrophobicContact CD1-CD1 3.98Å; I81-L96 HydrophobicContact CG2-CD1 4.01Å; L96-Q98 PolarHBondContact O-N 3.46Å; L96-L99 HydrophobicContact CD1-CD2 4.12Å; L96-L99 WeakPolarHBondContact O-CB 3.25Å; L96-L99 PolarHBondContact O-N 3.24Å
97D93Very high91.2Very high79 Ų7968.3 Ų68.342%0.42237%0.372SS..Hα-helixtrans-66.5-20.3176.363.3-15.4000114R95R95-D97 WeakPolarHBondContact CB-OD1 3.38Å; R95-D97 IonicContact CZ-OD1 3.29Å; R95-D97 VanDerWaalsContact CZ-OD1 3.29Å; R95-D97 IonicContact CZ-OD2 3.1Å; R95-D97 IonicContact NE-OD1 3.77Å; R95-D97 IonicContact NH1-OD1 3.29Å; R95-D97 PolarHBondContact NH1-OD1 2.81Å; R95-D97 IonicContact NH1-OD2 2.78Å; R95-D97 PolarHBondContact NH1-OD2 2.93Å; R95-D97 VanDerWaalsContact NH2-CG 3.34Å; R95-D97 IonicContact NH2-OD1 3.44Å; R95-D97 PolarHBondContact NH2-OD1 3.05Å; R95-D97 IonicContact NH2-OD2 2.8Å; R95-D97 PolarHBondContact NH2-OD2 3.4Å; R95-D97 PolarHBondContact O-N 3.25Å; R95-D97 VanDerWaalsContact O-N 3.16Å
98Q94.7Very high91.2Very high97 Ų9768.4 Ų68.445%0.45335%0.351SS..Hα-helixtrans-97.4-5.6177.6-64.5173.4-13.900113.1L94 R95 L96 Q100 S101 H102L94-Q98 HydrophobicContact CB-CB 4.42Å; R95-Q98 HydrophobicContact CB-CG 4.48Å; R95-Q98 WeakPolarHBondContact O-CA 3.29Å; R95-Q98 WeakPolarHBondContact O-CB 3.31Å; R95-Q98 PolarHBondContact O-N 2.86Å; L96-Q98 PolarHBondContact O-N 3.46Å; Q98-Q100 PolarHBondContact O-N 2.94Å; Q98-S101 PolarHBondContact O-N 3.03Å; Q98-S101 PolarHBondContact O-OG 3.14Å; Q98-H102 PolarHBondContact O-N 2.87Å; Q98-H102 VanDerWaalsContact O-N 3.1Å
99L93.4Very high91.4Very high0 Ų063.8 Ų63.80%033%0.332CS..Hα-helixtrans-61.8-46.8-177.6179.165.1000112.1Y3 I81 L94 R95 L96 S101 H102 L103Y3-L99 HydrophobicContact CD1-CD2 4.24Å; Y3-L99 HydrophobicContact CE1-CD2 3.74Å; I81-L99 HydrophobicContact CD1-CD2 3.97Å; I81-L99 HydrophobicContact CG2-CB 4.26Å; I81-L99 HydrophobicContact CG2-CD1 4.23Å; I81-L99 HydrophobicContact CG2-CD2 4.08Å; I81-L99 HydrophobicContact CG2-CG 4.42Å; L94-L99 HydrophobicContact CD1-CB 4.25Å; L94-L99 HydrophobicContact CD1-CD1 3.74Å; R95-L99 PolarHBondContact O-N 2.84Å; L96-L99 HydrophobicContact CD1-CD2 4.12Å; L96-L99 WeakPolarHBondContact O-CB 3.25Å; L96-L99 PolarHBondContact O-N 3.24Å; L99-S101 VanDerWaalsContact C-N 3.33Å; L99-S101 PolarHBondContact O-N 3.32Å; L99-H102 PolarHBondContact O-N 3.4Å; L99-L103 HydrophobicContact CD1-CD1 4.22Å; L99-L103 HydrophobicContact CD1-CD2 4.46Å; L99-L103 HydrophobicContact CD1-CG 4.11Å; L99-L103 HydrophobicContact CG-CD1 3.99Å; L99-L103 HydrophobicContact CG-CG 4.3Å; L99-L103 WeakPolarHBondContact O-CG 3.41Å; L99-L103 PolarHBondContact O-N 3.14Å
100Q90.9Very high91.2Very high94 Ų9463 Ų6344%0.43932%0.32SS..Hα-helixtrans-64.9-35.3-177-70.5-61.4-24.700113Q98 R104Q98-Q100 PolarHBondContact O-N 2.94Å; Q100-R104 PolarHBondContact O-NH1 3.29Å; Q100-R104 VanDerWaalsContact O-NH1 3.14Å
101S92.4Very high90.7Very high49 Ų4970.1 Ų70.134%0.34335%0.35SS..Hα-helixtrans-69.4-45173.651.30000111.5Q98 L99 L103 R104Q98-S101 PolarHBondContact O-N 3.03Å; Q98-S101 PolarHBondContact O-OG 3.14Å; L99-S101 VanDerWaalsContact C-N 3.33Å; L99-S101 PolarHBondContact O-N 3.32Å; S101-L103 VanDerWaalsContact C-N 3.35Å; S101-L103 PolarHBondContact O-N 3.44Å; S101-R104 PolarHBondContact O-N 3.36Å
102H93.2Very high90.3Very high45 Ų4568.2 Ų68.221%0.20833%0.328CS..Hα-helixtrans-58.4-43.9176.317582000112.6C83 C90 L94 Q98 L99 R104 D105 C106C83-H102 PolarHBondContact SG-CD2 3.21Å; C83-H102 PolarHBondContact SG-NE2 3.13Å; C90-H102 PolarHBondContact SG-NE2 3.15Å; L94-H102 HydrophobicContact CD1-CB 3.51Å; L94-H102 HydrophobicContact CD2-CB 4.44Å; Q98-H102 PolarHBondContact O-N 2.87Å; Q98-H102 VanDerWaalsContact O-N 3.1Å; L99-H102 PolarHBondContact O-N 3.4Å; H102-R104 VanDerWaalsContact C-N 3.26Å; H102-R104 PolarHBondContact O-N 3.38Å; H102-D105 CarbonylContact O-C 3.56Å; H102-D105 PolarHBondContact O-N 3.05Å; H102-D105 VanDerWaalsContact O-N 3.09Å; H102-C106 PolarHBondContact NE2-SG 3.42Å; H102-C106 WeakPolarHBondContact O-CA 3.44Å; H102-C106 VanDerWaalsContact O-CB 3.26Å; H102-C106 WeakPolarHBondContact O-CB 3.41Å; H102-C106 PolarHBondContact O-N 2.79Å
103L89.9Confident89.9Confident31 Ų3171.3 Ų71.316%0.16235%0.346CS..Hα-helixtrans-61.3-32.2-177.8-72.9173.9000113.7D84 L99 S101 D105 N109D84-L103 HydrophobicContact CB-CD2 3.94Å; D84-L103 WeakPolarHBondContact OD2-CD1 3.46Å; D84-L103 WeakPolarHBondContact OD2-CD2 3.29Å; L99-L103 HydrophobicContact CD1-CD1 4.22Å; L99-L103 HydrophobicContact CD1-CD2 4.46Å; L99-L103 HydrophobicContact CD1-CG 4.11Å; L99-L103 HydrophobicContact CG-CD1 3.99Å; L99-L103 HydrophobicContact CG-CG 4.3Å; L99-L103 WeakPolarHBondContact O-CG 3.41Å; L99-L103 PolarHBondContact O-N 3.14Å; S101-L103 VanDerWaalsContact C-N 3.35Å; S101-L103 PolarHBondContact O-N 3.44Å; L103-D105 VanDerWaalsContact C-N 3.33Å; L103-N109 PolarHBondContact O-ND2 3.48Å
104R87Confident89.5Confident164 Ų16469.4 Ų69.462%0.61933%0.334SS*.Hα-helixtrans-65.5-38.1175.2-69-171.5-62.9-95.610.3112Q100 S101 H102Q100-R104 PolarHBondContact O-NH1 3.29Å; Q100-R104 VanDerWaalsContact O-NH1 3.14Å; S101-R104 PolarHBondContact O-N 3.36Å; H102-R104 VanDerWaalsContact C-N 3.26Å; H102-R104 PolarHBondContact O-N 3.38Å
105D87.1Confident89.3Confident115 Ų11574.3 Ų74.362%0.61536%0.356SS*.Hα-helixtrans-105.81.5-173-58.9-40.6000113.3H102 L103 Q107H102-D105 CarbonylContact O-C 3.56Å; H102-D105 PolarHBondContact O-N 3.05Å; H102-D105 VanDerWaalsContact O-N 3.09Å; L103-D105 VanDerWaalsContact C-N 3.33Å; D105-Q107 PolarHBondContact O-N 3.24Å; D105-Q107 VanDerWaalsContact O-N 3.12Å
106C90Very high89Confident2 Ų271.1 Ų71.11%0.01435%0.347CS..  trans-62.6117.4-173.8-174.90000110.5H102 H108 N109H102-C106 PolarHBondContact NE2-SG 3.42Å; H102-C106 WeakPolarHBondContact O-CA 3.44Å; H102-C106 VanDerWaalsContact O-CB 3.26Å; H102-C106 WeakPolarHBondContact O-CB 3.41Å; H102-C106 PolarHBondContact O-N 2.79Å; C106-H108 PolarHBondContact O-N 3.49Å; C106-N109 HydrophobicContact CB-CB 4.14Å; C106-N109 VanDerWaalsContact O-CB 3.29Å; C106-N109 WeakPolarHBondContact O-CB 3.4Å; C106-N109 PolarHBondContact O-N 3.04Å; C106-N109 VanDerWaalsContact O-N 3.1Å
107Q85.6Confident88.5Confident143 Ų14379.4 Ų79.467%0.66839%0.385SS*.THydrogen-bonded Turntrans-65.6-22.8-178.9-62.3179.58.200113.1D105 K126D105-Q107 PolarHBondContact O-N 3.24Å; D105-Q107 VanDerWaalsContact O-N 3.12Å; Q107-K126 PolarHBondContact O-NZ 3.24Å
108H87.2Confident88.1Confident80 Ų8083.1 Ų83.137%0.3740%0.4SS..THydrogen-bonded Turntrans-92.82.8179.3-57.195.2000112.9N85 F88 C90 C106 P110N85-H108 HydrophobicContact CB-CB 4.24Å; F88-H108 HydrophobicContact CB-CB 4.47Å; F88-H108 WeakPolarHBondContact CB-O 3.31Å; F88-H108 PolarHBondContact O-CD2 2.85Å; C90-H108 HydrophobicContact CB-CB 3.98Å; C106-H108 PolarHBondContact O-N 3.49Å; H108-P110 WeakPolarHBondContact O-CD 3.47Å
109N88Confident87.6Confident34 Ų3481.6 Ų81.618%0.18241%0.41CS..  trans-71.3111.6174-178.9-5.4000109.4N85 L103 C106 K111 R112N85-N109 WeakPolarHBondContact ND2-CB 3.4Å; L103-N109 PolarHBondContact O-ND2 3.48Å; C106-N109 HydrophobicContact CB-CB 4.14Å; C106-N109 VanDerWaalsContact O-CB 3.29Å; C106-N109 WeakPolarHBondContact O-CB 3.4Å; C106-N109 PolarHBondContact O-N 3.04Å; C106-N109 VanDerWaalsContact O-N 3.1Å; N109-K111 PolarHBondContact O-N 3.28Å; N109-K111 PolarHBondContact OD1-N 3.47Å; N109-R112 HydrophobicContact CB-CB 4.1Å; N109-R112 VanDerWaalsContact O-CB 3.31Å; N109-R112 WeakPolarHBondContact O-CB 3.32Å; N109-R112 PolarHBondContact O-N 2.86Å; N109-R112 PolarHBondContact OD1-N 3.44Å
110P82.6Confident87.4Confident25 Ų2582.4 Ų82.416%0.16242%0.416CS..THydrogen-bonded Turntrans-65.7-29.6-179.127-34.1000111.8F88 H108 R112 K126 D127F88-P110 HydrophobicContact CD1-CG 4.22Å; F88-P110 HydrophobicContact CD2-CG 4.07Å; F88-P110 HydrophobicContact CE1-CG 4.02Å; F88-P110 HydrophobicContact CE2-CG 3.87Å; F88-P110 HydrophobicContact CG-CG 4.26Å; F88-P110 HydrophobicContact CZ-CG 3.84Å; H108-P110 WeakPolarHBondContact O-CD 3.47Å; P110-R112 VanDerWaalsContact C-N 3.31Å; P110-R112 PolarHBondContact O-N 3.42Å; P110-K126 WeakPolarHBondContact O-CA 3.46Å; P110-K126 WeakPolarHBondContact O-CB 3.28Å; P110-K126 PolarHBondContact O-N 3.05Å; P110-D127 HydrophobicContact CB-CB 4.01Å; P110-D127 PolarHBondContact O-N 3.07Å; P110-D127 VanDerWaalsContact O-OD1 3.13Å
111K83.6Confident87.1Confident158 Ų15880.6 Ų80.669%0.68742%0.422SS*.THydrogen-bonded Turntrans-88.75.8-179.8-64.1-174.8178.1-178.60113.7N109 P113N109-K111 PolarHBondContact O-N 3.28Å; N109-K111 PolarHBondContact OD1-N 3.47Å; K111-P113 WeakPolarHBondContact O-CD 3.21Å
112R84.6Confident87Confident96 Ų9680.8 Ų80.836%0.36242%0.419SS..  trans-58.8123.8176.6-179.5171.7176.2-104.41.4108.7N109 P110 V114 K126N109-R112 HydrophobicContact CB-CB 4.1Å; N109-R112 VanDerWaalsContact O-CB 3.31Å; N109-R112 WeakPolarHBondContact O-CB 3.32Å; N109-R112 PolarHBondContact O-N 2.86Å; N109-R112 PolarHBondContact OD1-N 3.44Å; P110-R112 VanDerWaalsContact C-N 3.31Å; P110-R112 PolarHBondContact O-N 3.42Å; R112-V114 PolarHBondContact O-N 2.94Å; R112-K126 PolarHBondContact O-N 3.47Å
113P84.8Confident86.9Confident95 Ų9584.8 Ų84.862%0.61744%0.438SS*.EExtended strand (participates in β ladder)trans-65.1126176.725.2-31.3000109K111 M124K111-P113 WeakPolarHBondContact O-CD 3.21Å; P113-M124 WeakPolarHBondContact CA-O 3.33Å
114V87Confident86.6Confident28 Ų2884.2 Ų84.217%0.1744%0.435CS..EExtended strand (participates in β ladder)trans-125.4141.6174.4-640000108.5R112 M124 K126 A129R112-V114 PolarHBondContact O-N 2.94Å; V114-M124 WeakPolarHBondContact CG2-O 3.38Å; V114-M124 PolarHBondContact N-O 3.44Å; V114-M124 PolarHBondContact O-N 2.93Å; V114-M124 VanDerWaalsContact O-O 3.14Å; V114-K126 HydrophobicContact CG1-CB 4.14Å; V114-K126 HydrophobicContact CG1-CG 4.26Å; V114-K126 HydrophobicContact CG2-CB 4.27Å; V114-A129 HydrophobicContact CG2-CB 3.91Å
115Q89.4Confident86.7Confident124 Ų12478.3 Ų78.358%0.57942%0.418SS*.EExtended strand (participates in β ladder)trans-75.8145.3169-74.6-177-1.200109.3E117 E123Q115-E117 PolarHBondContact O-N 2.77Å; Q115-E117 VanDerWaalsContact O-N 3.16Å; Q115-E123 HydrophobicContact CG-CG 3.6Å; Q115-E123 PolarHBondContact NE2-OE1 3.49Å
116C89Confident86.5Confident18 Ų1877.5 Ų77.512%0.12241%0.408CS..  trans-56.3121.4175.2-177.70000111.4Q118 G119 C120 L122 H132 C134C116-Q118 PolarHBondContact O-N 3.02Å; C116-G119 PolarHBondContact O-N 2.9Å; C116-C120 WeakPolarHBondContact CB-SG 3.42Å; C116-L122 PolarHBondContact N-O 3.36Å; C116-H132 PolarHBondContact SG-CD2 2.76Å; C116-C134 PolarHBondContact SG-SG 3.13Å
117E85Confident86.2Confident190 Ų19081.3 Ų81.389%0.88843%0.429SS*.THydrogen-bonded Turntrans-64-21.8-178.8-60.7-178.5168.700113.3Q115 G119Q115-E117 PolarHBondContact O-N 2.77Å; Q115-E117 VanDerWaalsContact O-N 3.16Å; E117-G119 VanDerWaalsContact C-N 3.27Å; E117-G119 PolarHBondContact O-N 2.85Å
118Q84.6Confident86.2Confident158 Ų15879.4 Ų79.474%0.73842%0.42SS*.THydrogen-bonded Turntrans-87.26.1178.9-57.4-63.3-34.300112.7C116 C134C116-Q118 PolarHBondContact O-N 3.02Å; Q118-C134 VanDerWaalsContact CB-SG 3.57Å
119G83.9Confident86Confident65 Ų6577.4 Ų77.467%0.6742%0.418SS*.SBendtrans80.716.8168.500000116C116 E117 G121C116-G119 PolarHBondContact O-N 2.9Å; E117-G119 VanDerWaalsContact C-N 3.27Å; E117-G119 PolarHBondContact O-N 2.85Å; G119-G121 PolarHBondContact O-N 3.49Å
120C88.7Confident85.7Confident17 Ų1781.3 Ų81.312%0.11545%0.447CS..  trans-73-10.9174.879.70000113.5C116 L122 H132 C134 L138C116-C120 WeakPolarHBondContact CB-SG 3.42Å; C120-L122 VanDerWaalsContact C-N 3.29Å; C120-L122 PolarHBondContact O-N 3.12Å; C120-H132 PolarHBondContact SG-NE2 2.95Å; C120-C134 HydrophobicContact CB-CB 4.07Å; C120-L138 HydrophobicContact CB-CD1 4.35Å; C120-L138 HydrophobicContact CB-CD2 4.17Å; C120-L138 HydrophobicContact CB-CG 4.12Å
121G86.2Confident85.8Confident56 Ų5684.6 Ų84.658%0.57747%0.471SS*.  trans78.42177.800000115.4G119G119-G121 PolarHBondContact O-N 3.49Å
122L90.1Very high86Confident53 Ų5378.9 Ų78.928%0.27745%0.447SS..  trans-74131.3175.3-175.264.3000110.9C116 C120 M124 H132C116-L122 PolarHBondContact N-O 3.36Å; C120-L122 VanDerWaalsContact C-N 3.29Å; C120-L122 PolarHBondContact O-N 3.12Å; L122-M124 HydrophobicContact CD2-SD 4.39Å; L122-H132 VanDerWaalsContact CD2-CE1 3.44Å; L122-H132 WeakPolarHBondContact CD2-CE1 3.25Å
123E90.3Very high86.3Confident128 Ų12878.7 Ų78.760%0.59845%0.453SS*.EExtended strand (participates in β ladder)trans-90.1129.1166.6-73.3-177.2175.800110.2Q115Q115-E123 HydrophobicContact CG-CG 3.6Å; Q115-E123 PolarHBondContact NE2-OE1 3.49Å
124M85.1Confident86.6Confident20 Ų2075.4 Ų75.410%0.09943%0.432CS..EExtended strand (participates in β ladder)trans-151163.1-177.965.5-169-56.800112.5P113 V114 L122 E128 A129 H132P113-M124 WeakPolarHBondContact CA-O 3.33Å; V114-M124 WeakPolarHBondContact CG2-O 3.38Å; V114-M124 PolarHBondContact N-O 3.44Å; V114-M124 PolarHBondContact O-N 2.93Å; V114-M124 VanDerWaalsContact O-O 3.14Å; L122-M124 HydrophobicContact CD2-SD 4.39Å; M124-E128 HydrophobicContact CE-CB 3.66Å; M124-E128 WeakPolarHBondContact CE-O 3.38Å; M124-A129 HydrophobicContact CG-CB 4.49Å; M124-H132 HydrophobicContact CE-CB 3.77Å; M124-H132 HydrophobicContact SD-CB 3.54Å; M124-H132 VanDerWaalsContact SD-CB 3.54Å; M124-H132 PolarHBondContact SD-ND1 3.49Å; M124-H132 VanDerWaalsContact SD-ND1 3.41Å
125P87.3Confident86.8Confident40 Ų4079 Ų7926%0.2645%0.449SS..EExtended strand (participates in β ladder)trans-56.7144.6171.8-28.239.1000113.2D127 E128 A129P125-D127 VanDerWaalsContact C-N 3.33Å; P125-D127 WeakPolarHBondContact CB-OD1 3.23Å; P125-D127 PolarHBondContact O-N 2.91Å; P125-E128 HydrophobicContact CB-CB 4.37Å; P125-E128 HydrophobicContact CB-CG 4.3Å; P125-E128 PolarHBondContact O-N 2.91Å; P125-A129 PolarHBondContact O-N 3.42Å; P125-A129 VanDerWaalsContact O-N 3.08Å
126K83.4Confident86.9Confident97 Ų9780.7 Ų80.742%0.42245%0.454SS..Hα-helixtrans-62.4-35.9-178-170.9-171.9-178.9-1660113.1Q107 P110 R112 V114 A129Q107-K126 PolarHBondContact O-NZ 3.24Å; P110-K126 WeakPolarHBondContact O-CA 3.46Å; P110-K126 WeakPolarHBondContact O-CB 3.28Å; P110-K126 PolarHBondContact O-N 3.05Å; R112-K126 PolarHBondContact O-N 3.47Å; V114-K126 HydrophobicContact CG1-CB 4.14Å; V114-K126 HydrophobicContact CG1-CG 4.26Å; V114-K126 HydrophobicContact CG2-CB 4.27Å; K126-A129 WeakPolarHBondContact O-CB 3.49Å; K126-A129 PolarHBondContact O-N 2.97Å
127D83.7Confident87.1Confident83 Ų8382.2 Ų82.244%0.44446%0.46SS..Hα-helixtrans-65-41.3175.454.8-11.2000112.4P110 P125 A129 S130P110-D127 HydrophobicContact CB-CB 4.01Å; P110-D127 PolarHBondContact O-N 3.07Å; P110-D127 VanDerWaalsContact O-OD1 3.13Å; P125-D127 VanDerWaalsContact C-N 3.33Å; P125-D127 WeakPolarHBondContact CB-OD1 3.23Å; P125-D127 PolarHBondContact O-N 2.91Å; D127-A129 VanDerWaalsContact C-N 3.34Å; D127-A129 PolarHBondContact O-N 3.03Å; D127-S130 PolarHBondContact O-OG 3.44Å
128E84.8Confident87.5Confident102 Ų10277 Ų7748%0.47744%0.438SS..Hα-helixtrans-75.3-19.9178-65.9-176.7-166.400113.7M124 P125 S130 S131 H132M124-E128 HydrophobicContact CE-CB 3.66Å; M124-E128 WeakPolarHBondContact CE-O 3.38Å; P125-E128 HydrophobicContact CB-CB 4.37Å; P125-E128 HydrophobicContact CB-CG 4.3Å; P125-E128 PolarHBondContact O-N 2.91Å; E128-S130 PolarHBondContact O-N 3.06Å; E128-S131 PolarHBondContact O-N 3.43Å; E128-S131 PolarHBondContact O-OG 3.25Å; E128-H132 PolarHBondContact O-N 3.26Å
129A83.6Confident88Confident39 Ų3978.1 Ų78.132%0.32244%0.435SS..Hα-helixtrans-56.3-36.4-177.100000113.4V114 M124 P125 K126 D127 S131 H132V114-A129 HydrophobicContact CG2-CB 3.91Å; M124-A129 HydrophobicContact CG-CB 4.49Å; P125-A129 PolarHBondContact O-N 3.42Å; P125-A129 VanDerWaalsContact O-N 3.08Å; K126-A129 WeakPolarHBondContact O-CB 3.49Å; K126-A129 PolarHBondContact O-N 2.97Å; D127-A129 VanDerWaalsContact C-N 3.34Å; D127-A129 PolarHBondContact O-N 3.03Å; A129-S131 VanDerWaalsContact C-N 3.27Å; A129-S131 PolarHBondContact O-N 3.34Å; A129-H132 VanDerWaalsContact O-CB 3.28Å; A129-H132 WeakPolarHBondContact O-CB 3.38Å; A129-H132 PolarHBondContact O-N 3.05Å
130S81.3Confident88.5Confident115 Ų11578.3 Ų78.380%0.80443%0.426SS*.THydrogen-bonded Turntrans-65.1-29.8177.764.70000113.5D127 E128D127-S130 PolarHBondContact O-OG 3.44Å; E128-S130 PolarHBondContact O-N 3.06Å
131S85.6Confident88.8Confident94 Ų9479.3 Ų79.366%0.65743%0.432SS*.THydrogen-bonded Turntrans-93.2-0.1-178.973.20000113.6E128 A129E128-S131 PolarHBondContact O-N 3.43Å; E128-S131 PolarHBondContact O-OG 3.25Å; A129-S131 VanDerWaalsContact C-N 3.27Å; A129-S131 PolarHBondContact O-N 3.34Å
132H88.5Confident89.2Confident39 Ų3980.1 Ų80.118%0.18143%0.425CS..  trans-67.9135-174.3-179.667.9000112.8C116 C120 L122 M124 E128 A129 C134C116-H132 PolarHBondContact SG-CD2 2.76Å; C120-H132 PolarHBondContact SG-NE2 2.95Å; L122-H132 VanDerWaalsContact CD2-CE1 3.44Å; L122-H132 WeakPolarHBondContact CD2-CE1 3.25Å; M124-H132 HydrophobicContact CE-CB 3.77Å; M124-H132 HydrophobicContact SD-CB 3.54Å; M124-H132 VanDerWaalsContact SD-CB 3.54Å; M124-H132 PolarHBondContact SD-ND1 3.49Å; M124-H132 VanDerWaalsContact SD-ND1 3.41Å; E128-H132 PolarHBondContact O-N 3.26Å; A129-H132 VanDerWaalsContact O-CB 3.28Å; A129-H132 WeakPolarHBondContact O-CB 3.38Å; A129-H132 PolarHBondContact O-N 3.05Å; H132-C134 PolarHBondContact CD2-SG 2.96Å; H132-C134 WeakPolarHBondContact NE2-CA 3.45Å; H132-C134 PolarHBondContact NE2-N 2.89Å; H132-C134 PolarHBondContact NE2-SG 2.62Å
133N90.5Very high89.5Confident92 Ų9284.3 Ų84.349%0.49244%0.443SS..  trans-113.2101.1173.3-171.9-44.7000111I135 K136 H137N133-I135 VanDerWaalsContact C-N 3.29Å; N133-I135 PolarHBondContact O-N 3.05Å; N133-I135 PolarHBondContact OD1-N 3.21Å; N133-I135 VanDerWaalsContact OD1-N 3.1Å; N133-K136 HydrophobicContact CB-CB 4.14Å; N133-K136 PolarHBondContact O-N 3.36Å; N133-K136 PolarHBondContact OD1-N 2.73Å; N133-H137 PolarHBondContact O-N 3.32Å; N133-H137 VanDerWaalsContact O-N 3.16Å
134C90.8Very high89.8Confident26 Ų2683.7 Ų83.718%0.17644%0.44CS..Hα-helixtrans-56.8-41.7-179.1-680000112.6C116 Q118 C120 H132 K136 H137 L138C116-C134 PolarHBondContact SG-SG 3.13Å; Q118-C134 VanDerWaalsContact CB-SG 3.57Å; C120-C134 HydrophobicContact CB-CB 4.07Å; H132-C134 PolarHBondContact CD2-SG 2.96Å; H132-C134 WeakPolarHBondContact NE2-CA 3.45Å; H132-C134 PolarHBondContact NE2-N 2.89Å; H132-C134 PolarHBondContact NE2-SG 2.62Å; C134-K136 PolarHBondContact O-N 3.39Å; C134-H137 PolarHBondContact O-N 3.21Å; C134-L138 WeakPolarHBondContact O-CB 2.88Å; C134-L138 VanDerWaalsContact O-CG 3.28Å; C134-L138 WeakPolarHBondContact O-CG 3.39Å; C134-L138 PolarHBondContact O-N 3.42Å
135I91.6Very high90.3Very high102 Ų10287.9 Ų87.952%0.52346%0.46SS..Hα-helixtrans-66-42.1-175.4-62.2170.2000110.1N133 R139N133-I135 VanDerWaalsContact C-N 3.29Å; N133-I135 PolarHBondContact O-N 3.05Å; N133-I135 PolarHBondContact OD1-N 3.21Å; N133-I135 VanDerWaalsContact OD1-N 3.1Å; I135-R139 HydrophobicContact CG2-CG 4.48Å; I135-R139 WeakPolarHBondContact O-CB 3.24Å; I135-R139 VanDerWaalsContact O-CG 3.26Å; I135-R139 WeakPolarHBondContact O-CG 3.05Å; I135-R139 PolarHBondContact O-N 3.14Å
136K91.8Very high90.8Very high160 Ų16091.9 Ų91.970%0.69648%0.475SS*.Hα-helixtrans-63.1-45176.4-173.3-177.9177.3-1750111.1N133 C134 S140N133-K136 HydrophobicContact CB-CB 4.14Å; N133-K136 PolarHBondContact O-N 3.36Å; N133-K136 PolarHBondContact OD1-N 2.73Å; C134-K136 PolarHBondContact O-N 3.39Å; K136-S140 PolarHBondContact O-N 2.6Å; K136-S140 VanDerWaalsContact O-N 3.14Å
137H92.8Very high91.5Very high51 Ų5189 Ų8924%0.23647%0.472CS..Hα-helixtrans-61.8-53.4177.6177.460.7000111.5N133 C134 R139 S140 V141N133-H137 PolarHBondContact O-N 3.32Å; N133-H137 VanDerWaalsContact O-N 3.16Å; C134-H137 PolarHBondContact O-N 3.21Å; H137-R139 VanDerWaalsContact C-N 3.31Å; H137-R139 PolarHBondContact O-N 2.98Å; H137-S140 WeakPolarHBondContact O-CA 3.32Å; H137-S140 VanDerWaalsContact O-CB 3.31Å; H137-S140 WeakPolarHBondContact O-CB 3.21Å; H137-S140 PolarHBondContact O-N 2.91Å; H137-V141 WeakPolarHBondContact O-CG2 3.32Å; H137-V141 PolarHBondContact O-N 3.28Å
138L92.6Very high92.1Very high81 Ų8190.7 Ų90.742%0.42448%0.475SS..Hα-helixtrans-59.9-39.7-179.1-69.8173.4000112.2C120 C134 S140 V141 V142C120-L138 HydrophobicContact CB-CD1 4.35Å; C120-L138 HydrophobicContact CB-CD2 4.17Å; C120-L138 HydrophobicContact CB-CG 4.12Å; C134-L138 WeakPolarHBondContact O-CB 2.88Å; C134-L138 VanDerWaalsContact O-CG 3.28Å; C134-L138 WeakPolarHBondContact O-CG 3.39Å; C134-L138 PolarHBondContact O-N 3.42Å; L138-S140 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 3Å; L138-V141 PolarHBondContact O-N 3.38Å; L138-V142 WeakPolarHBondContact O-CG2 3.36Å; L138-V142 PolarHBondContact O-N 2.82Å
139R94.9Very high92.7Very high180 Ų18090.1 Ų90.168%0.67948%0.475SS*.Hα-helixtrans-60.5-42.9173.5-77.7177.7-176.4170.62.8112.3I135 H137 V141 V142 Q143I135-R139 HydrophobicContact CG2-CG 4.48Å; I135-R139 WeakPolarHBondContact O-CB 3.24Å; I135-R139 VanDerWaalsContact O-CG 3.26Å; I135-R139 WeakPolarHBondContact O-CG 3.05Å; I135-R139 PolarHBondContact O-N 3.14Å; H137-R139 VanDerWaalsContact C-N 3.31Å; H137-R139 PolarHBondContact O-N 2.98Å; R139-V141 VanDerWaalsContact C-N 3.34Å; R139-V142 PolarHBondContact O-N 3Å; R139-Q143 WeakPolarHBondContact O-CB 3.12Å; R139-Q143 PolarHBondContact O-N 2.99Å
140S94.7Very high93.4Very high69 Ų6990.7 Ų90.748%0.48348%0.48SS..Hα-helixtrans-62.5-41.8175.5-171.80000111.6K136 H137 L138 Q143 Q144K136-S140 PolarHBondContact O-N 2.6Å; K136-S140 VanDerWaalsContact O-N 3.14Å; H137-S140 WeakPolarHBondContact O-CA 3.32Å; H137-S140 VanDerWaalsContact O-CB 3.31Å; H137-S140 WeakPolarHBondContact O-CB 3.21Å; H137-S140 PolarHBondContact O-N 2.91Å; L138-S140 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 3Å; S140-Q143 PolarHBondContact O-N 3.18Å; S140-Q144 WeakPolarHBondContact O-CB 3.23Å; S140-Q144 PolarHBondContact O-N 3.26Å
141V94.9Very high94.2Very high39 Ų3990.6 Ų90.624%0.23647%0.47CS..Hα-helixtrans-63.6-46.7177.7173.60000110.6H137 L138 R139 Q143 Q144 Q145H137-V141 WeakPolarHBondContact O-CG2 3.32Å; H137-V141 PolarHBondContact O-N 3.28Å; L138-V141 PolarHBondContact O-N 3.38Å; R139-V141 VanDerWaalsContact C-N 3.34Å; V141-Q143 PolarHBondContact O-N 3.3Å; V141-Q144 PolarHBondContact O-N 3.36Å; V141-Q145 HydrophobicContact CG1-CG 4.36Å; V141-Q145 WeakPolarHBondContact O-CB 3.45Å; V141-Q145 VanDerWaalsContact O-CG 3.31Å; V141-Q145 WeakPolarHBondContact O-CG 3.39Å; V141-Q145 PolarHBondContact O-N 3.39Å
142V96.1Very high94.7Very high72 Ų7292 Ų9244%0.43647%0.47SS..Hα-helixtrans-60.1-46176.8170.20000110.9L138 R139 Q144 Q145 Q146L138-V142 WeakPolarHBondContact O-CG2 3.36Å; L138-V142 PolarHBondContact O-N 2.82Å; R139-V142 PolarHBondContact O-N 3Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-Q144 PolarHBondContact O-N 3.45Å; V142-Q145 PolarHBondContact O-N 3.27Å; V142-Q146 HydrophobicContact CG1-CG 4.38Å; V142-Q146 WeakPolarHBondContact O-CB 3.26Å; V142-Q146 VanDerWaalsContact O-CG 3.29Å; V142-Q146 WeakPolarHBondContact O-CG 3.44Å; V142-Q146 PolarHBondContact O-N 3.4Å
143Q96.1Very high95.1Very high141 Ų14196.5 Ų96.566%0.65949%0.491SS*.Hα-helixtrans-61.9-42.2178.1-173.6178.44.300111.8R139 S140 V141 Q146 G147R139-Q143 WeakPolarHBondContact O-CB 3.12Å; R139-Q143 PolarHBondContact O-N 2.99Å; S140-Q143 PolarHBondContact O-N 3.18Å; V141-Q143 PolarHBondContact O-N 3.3Å; Q143-Q146 PolarHBondContact O-N 3.35Å; Q143-G147 PolarHBondContact O-N 2.8Å
144Q96.4Very high95.5Very high115 Ų11598.5 Ų98.554%0.53750%0.495SS..Hα-helixtrans-65-42.1176.4-172-174.91700111.7S140 V141 V142 G147 K148S140-Q144 WeakPolarHBondContact O-CB 3.23Å; S140-Q144 PolarHBondContact O-N 3.26Å; V141-Q144 PolarHBondContact O-N 3.36Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-Q144 PolarHBondContact O-N 3.45Å; Q144-G147 PolarHBondContact O-N 3.22Å; Q144-K148 WeakPolarHBondContact O-CG 3.27Å; Q144-K148 PolarHBondContact O-N 2.87Å
145Q96.1Very high95.7Very high109 Ų10999 Ų9951%0.50950%0.501SS..Hα-helixtrans-64.7-42.2177.1-75.5179.3-11.800111.4V141 V142 G147 K148 I149V141-Q145 HydrophobicContact CG1-CG 4.36Å; V141-Q145 WeakPolarHBondContact O-CB 3.45Å; V141-Q145 VanDerWaalsContact O-CG 3.31Å; V141-Q145 WeakPolarHBondContact O-CG 3.39Å; V141-Q145 PolarHBondContact O-N 3.39Å; V142-Q145 PolarHBondContact O-N 3.27Å; Q145-G147 VanDerWaalsContact C-N 3.32Å; Q145-G147 PolarHBondContact O-N 3.04Å; Q145-K148 PolarHBondContact O-N 3.22Å; Q145-I149 VanDerWaalsContact O-CG1 3.28Å; Q145-I149 WeakPolarHBondContact O-CG1 3.45Å; Q145-I149 PolarHBondContact O-N 3.2Å
146Q97Very high96Very high124 Ų12497.9 Ų97.958%0.57950%0.502SS*.Hα-helixtrans-59.1-42.1174.3-75.3173.9-16.500111.9V142 Q143 I149 A150V142-Q146 HydrophobicContact CG1-CG 4.38Å; V142-Q146 WeakPolarHBondContact O-CB 3.26Å; V142-Q146 VanDerWaalsContact O-CG 3.29Å; V142-Q146 WeakPolarHBondContact O-CG 3.44Å; V142-Q146 PolarHBondContact O-N 3.4Å; Q143-Q146 PolarHBondContact O-N 3.35Å; Q146-I149 PolarHBondContact O-N 3.08Å; Q146-A150 PolarHBondContact O-N 3.23Å
147G97.3Very high96.2Very high35 Ų3593.2 Ų93.236%0.36149%0.493SS..Hα-helixtrans-60.8-48.517400000112.7Q143 Q144 Q145 I149 A150 D151Q143-G147 PolarHBondContact O-N 2.8Å; Q144-G147 PolarHBondContact O-N 3.22Å; Q145-G147 VanDerWaalsContact C-N 3.32Å; Q145-G147 PolarHBondContact O-N 3.04Å; G147-I149 VanDerWaalsContact C-N 3.31Å; G147-I149 PolarHBondContact O-N 3.33Å; G147-A150 PolarHBondContact O-N 2.99Å; G147-D151 PolarHBondContact O-N 2.88Å
148K97.4Very high96.4Very high119 Ų11995.4 Ų95.452%0.51750%0.504SS..Hα-helixtrans-60.1-39.6177.1-72.5179.5178.91800112.7Q144 Q145 D151 L152Q144-K148 WeakPolarHBondContact O-CG 3.27Å; Q144-K148 PolarHBondContact O-N 2.87Å; Q145-K148 PolarHBondContact O-N 3.22Å; K148-D151 PolarHBondContact O-N 3.47Å; K148-L152 WeakPolarHBondContact O-CB 3.19Å; K148-L152 VanDerWaalsContact O-CG 3.26Å; K148-L152 WeakPolarHBondContact O-CG 3.29Å; K148-L152 PolarHBondContact O-N 3.42Å
149I97.7Very high96.6Very high91 Ų9197.4 Ų97.447%0.46751%0.511SS..Hα-helixtrans-62.6-47176.7-70.1165.4000109.9Q145 Q146 G147 D151 L152 E153Q145-I149 VanDerWaalsContact O-CG1 3.28Å; Q145-I149 WeakPolarHBondContact O-CG1 3.45Å; Q145-I149 PolarHBondContact O-N 3.2Å; Q146-I149 PolarHBondContact O-N 3.08Å; G147-I149 VanDerWaalsContact C-N 3.31Å; G147-I149 PolarHBondContact O-N 3.33Å; I149-D151 VanDerWaalsContact C-N 3.33Å; I149-D151 PolarHBondContact O-N 3.41Å; I149-L152 PolarHBondContact O-N 2.95Å; I149-E153 HydrophobicContact CG2-CG 4.33Å; I149-E153 WeakPolarHBondContact O-CG 3.5Å; I149-E153 PolarHBondContact O-N 3.2Å
150A97.3Very high96.6Very high51 Ų5196.6 Ų96.642%0.42151%0.512SS..Hα-helixtrans-60.7-41.4178.400000112.5Q146 G147 E153 K154Q146-A150 PolarHBondContact O-N 3.23Å; G147-A150 PolarHBondContact O-N 2.99Å; A150-E153 PolarHBondContact O-N 3.42Å; A150-K154 PolarHBondContact O-N 3.48Å
151D97.3Very high96.7Very high112 Ų11299 Ų9960%0.59952%0.516SS*.Hα-helixtrans-63.8-42.9176.3-69-26.8000111.7G147 K148 I149 K154 A155G147-D151 PolarHBondContact O-N 2.88Å; K148-D151 PolarHBondContact O-N 3.47Å; I149-D151 VanDerWaalsContact C-N 3.33Å; I149-D151 PolarHBondContact O-N 3.41Å; D151-K154 PolarHBondContact O-N 3.08Å; D151-A155 PolarHBondContact O-N 3.37Å
152L97.6Very high96.8Very high124 Ų124102.1 Ų102.165%0.64953%0.528SS*.Hα-helixtrans-65.4-40.8177-73.9171.8000112.1K148 I149 K154 A155 S156K148-L152 WeakPolarHBondContact O-CB 3.19Å; K148-L152 VanDerWaalsContact O-CG 3.26Å; K148-L152 WeakPolarHBondContact O-CG 3.29Å; K148-L152 PolarHBondContact O-N 3.42Å; I149-L152 PolarHBondContact O-N 2.95Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-A155 PolarHBondContact O-N 3.01Å; L152-S156 WeakPolarHBondContact O-CB 3.37Å; L152-S156 PolarHBondContact O-N 2.98Å
153E97.1Very high96.7Very high133 Ų133103 Ų10362%0.62153%0.529SS*.Hα-helixtrans-61.8-42.9175.5-75.7178.7166.200111.3I149 A150 S156 A157I149-E153 HydrophobicContact CG2-CG 4.33Å; I149-E153 WeakPolarHBondContact O-CG 3.5Å; I149-E153 PolarHBondContact O-N 3.2Å; A150-E153 PolarHBondContact O-N 3.42Å; E153-S156 PolarHBondContact O-N 3.21Å; E153-A157 PolarHBondContact O-N 2.98Å
154K97.2Very high96.6Very high134 Ų13498.1 Ų98.158%0.58351%0.513SS*.Hα-helixtrans-61.9-49.6175.6-175.4-177173.8-170.40111.7A150 D151 L152 S156 A157 E158A150-K154 PolarHBondContact O-N 3.48Å; D151-K154 PolarHBondContact O-N 3.08Å; L152-K154 VanDerWaalsContact C-N 3.33Å; K154-S156 VanDerWaalsContact C-N 3.3Å; K154-S156 PolarHBondContact O-N 3.35Å; K154-A157 WeakPolarHBondContact O-CB 3.17Å; K154-A157 PolarHBondContact O-N 3.39Å; K154-A157 VanDerWaalsContact O-N 3.12Å; K154-E158 WeakPolarHBondContact CE-OE1 3.34Å; K154-E158 PolarHBondContact O-N 2.92Å
155A97Very high96.6Very high37 Ų3797.3 Ų97.331%0.30651%0.509SS..Hα-helixtrans-60.4-41.3177.600000111.6D151 L152 A157 E158 H159D151-A155 PolarHBondContact O-N 3.37Å; L152-A155 PolarHBondContact O-N 3.01Å; A155-A157 VanDerWaalsContact C-N 3.3Å; A155-A157 PolarHBondContact O-N 2.79Å; A155-E158 PolarHBondContact O-N 3.25Å; A155-H159 WeakPolarHBondContact O-CB 3.36Å; A155-H159 PolarHBondContact O-CD2 2.96Å; A155-H159 PolarHBondContact O-N 3.49Å
156S96.8Very high96.5Very high79 Ų7997.6 Ų97.655%0.55251%0.511SS*.Hα-helixtrans-62.3-37.6175.7-176.40000112.3L152 E153 K154 K160L152-S156 WeakPolarHBondContact O-CB 3.37Å; L152-S156 PolarHBondContact O-N 2.98Å; E153-S156 PolarHBondContact O-N 3.21Å; K154-S156 VanDerWaalsContact C-N 3.3Å; K154-S156 PolarHBondContact O-N 3.35Å; S156-K160 WeakPolarHBondContact O-CB 3.45Å; S156-K160 PolarHBondContact O-N 3.02Å
157A97Very high96Very high61 Ų6197.6 Ų97.650%0.50451%0.509SS..Hα-helixtrans-67-42.8176.600000111.6E153 K154 A155 K160 H161E153-A157 PolarHBondContact O-N 2.98Å; K154-A157 WeakPolarHBondContact O-CB 3.17Å; K154-A157 PolarHBondContact O-N 3.39Å; K154-A157 VanDerWaalsContact O-N 3.12Å; A155-A157 VanDerWaalsContact C-N 3.3Å; A155-A157 PolarHBondContact O-N 2.79Å; A157-K160 PolarHBondContact O-N 3.02Å; A157-H161 PolarHBondContact O-N 3.38Å
158E96.9Very high95.8Very high98 Ų98102.8 Ų102.846%0.45852%0.517SS..Hα-helixtrans-61.9-47.2175.7-71.3172.6-175.100111.5K154 A155 K160 H161 Q162K154-E158 WeakPolarHBondContact CE-OE1 3.34Å; K154-E158 PolarHBondContact O-N 2.92Å; A155-E158 PolarHBondContact O-N 3.25Å; E158-K160 VanDerWaalsContact C-N 3.3Å; E158-K160 PolarHBondContact O-N 3.12Å; E158-H161 WeakPolarHBondContact O-CB 3.36Å; E158-H161 PolarHBondContact O-N 3.4Å; E158-H161 VanDerWaalsContact O-N 3.11Å; E158-Q162 WeakPolarHBondContact O-CG 3.48Å; E158-Q162 PolarHBondContact O-N 3.17Å
159H96.5Very high95.6Very high123 Ų123101.1 Ų101.157%0.56951%0.514SS*.Hα-helixtrans-60.9-39.8176.5-78.2-138.9000111.9A155 H161 Q162 L163A155-H159 WeakPolarHBondContact O-CB 3.36Å; A155-H159 PolarHBondContact O-CD2 2.96Å; A155-H159 PolarHBondContact O-N 3.49Å; H159-H161 VanDerWaalsContact C-N 3.3Å; H159-H161 PolarHBondContact O-N 3.29Å; H159-Q162 PolarHBondContact O-N 3.4Å; H159-L163 WeakPolarHBondContact O-CB 3.4Å; H159-L163 PolarHBondContact O-N 3.1Å
160K95.4Very high95.1Very high163 Ų163101.1 Ų101.171%0.70951%0.514SS*.Hα-helixtrans-63.8-37176.1-173178.2179.8-179.70111.7S156 A157 E158 A164S156-K160 WeakPolarHBondContact O-CB 3.45Å; S156-K160 PolarHBondContact O-N 3.02Å; A157-K160 PolarHBondContact O-N 3.02Å; E158-K160 VanDerWaalsContact C-N 3.3Å; E158-K160 PolarHBondContact O-N 3.12Å; K160-A164 WeakPolarHBondContact O-CB 3.21Å; K160-A164 PolarHBondContact O-N 2.97Å; K160-A164 VanDerWaalsContact O-N 3.13Å
161H96.4Very high94.4Very high119 Ų119104.8 Ų104.855%0.55152%0.523SS*.Hα-helixtrans-65.9-49.4175.2-171.378.4000111.6A157 E158 H159 L163 A164 E165A157-H161 PolarHBondContact O-N 3.38Å; E158-H161 WeakPolarHBondContact O-CB 3.36Å; E158-H161 PolarHBondContact O-N 3.4Å; E158-H161 VanDerWaalsContact O-N 3.11Å; H159-H161 VanDerWaalsContact C-N 3.3Å; H159-H161 PolarHBondContact O-N 3.29Å; H161-L163 VanDerWaalsContact C-N 3.32Å; H161-L163 PolarHBondContact O-N 3.47Å; H161-A164 WeakPolarHBondContact O-CB 2.95Å; H161-A164 PolarHBondContact O-N 3.02Å; H161-E165 PolarHBondContact O-N 3.11Å
162Q96.4Very high94.1Very high105 Ų105105.3 Ų105.349%0.49153%0.525SS..Hα-helixtrans-58.6-43.1177.1-70.1174.71.800111.9E158 H159 A164 E165 Q166E158-Q162 WeakPolarHBondContact O-CG 3.48Å; E158-Q162 PolarHBondContact O-N 3.17Å; H159-Q162 PolarHBondContact O-N 3.4Å; Q162-A164 VanDerWaalsContact C-N 3.28Å; Q162-A164 PolarHBondContact O-N 2.65Å; Q162-E165 WeakPolarHBondContact O-CB 3.31Å; Q162-E165 PolarHBondContact O-N 3.01Å; Q162-E165 VanDerWaalsContact O-N 3.17Å; Q162-Q166 WeakPolarHBondContact O-CG 3.21Å; Q162-Q166 PolarHBondContact O-N 3.22Å
163L94Very high93.5Very high90 Ų90104.5 Ų104.547%0.47152%0.521SS..Hα-helixtrans-62.1-37.1176.5-173.369.5000111.9H159 H161 E165 K167H159-L163 WeakPolarHBondContact O-CB 3.4Å; H159-L163 PolarHBondContact O-N 3.1Å; H161-L163 VanDerWaalsContact C-N 3.32Å; H161-L163 PolarHBondContact O-N 3.47Å; L163-E165 VanDerWaalsContact C-N 3.34Å; L163-K167 WeakPolarHBondContact O-CB 3.45Å; L163-K167 VanDerWaalsContact O-CG 3.31Å; L163-K167 WeakPolarHBondContact O-CG 3.42Å; L163-K167 PolarHBondContact O-N 3.35Å
164A93.8Very high92.4Very high39 Ų39103.8 Ų103.832%0.32252%0.516SS..Hα-helixtrans-68.9-33.817700000112.2K160 H161 Q162 R168K160-A164 WeakPolarHBondContact O-CB 3.21Å; K160-A164 PolarHBondContact O-N 2.97Å; K160-A164 VanDerWaalsContact O-N 3.13Å; H161-A164 WeakPolarHBondContact O-CB 2.95Å; H161-A164 PolarHBondContact O-N 3.02Å; Q162-A164 VanDerWaalsContact C-N 3.28Å; Q162-A164 PolarHBondContact O-N 2.65Å; A164-R168 WeakPolarHBondContact O-CG 3.38Å; A164-R168 PolarHBondContact O-N 2.8Å; A164-R168 PolarHBondContact O-NE 3.16Å
165E96.3Very high91.4Very high98 Ų9899.5 Ų99.546%0.45851%0.505SS..Hα-helixtrans-69-51.3174.1-170.1173.6-164.300111.2H161 Q162 L163 K167 R168 D169H161-E165 PolarHBondContact O-N 3.11Å; Q162-E165 WeakPolarHBondContact O-CB 3.31Å; Q162-E165 PolarHBondContact O-N 3.01Å; Q162-E165 VanDerWaalsContact O-N 3.17Å; L163-E165 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 2.99Å; E165-R168 WeakPolarHBondContact O-CA 3.28Å; E165-R168 WeakPolarHBondContact O-CB 3.34Å; E165-R168 PolarHBondContact O-N 3.37Å; E165-D169 PolarHBondContact O-N 3.49Å
166Q93.6Very high90.5Very high114 Ų114105.3 Ų105.353%0.53352%0.52SS..Hα-helixtrans-55.9-38.2175.7-72.5-179.5-21.200112.7Q162 R168 D169 I170Q162-Q166 WeakPolarHBondContact O-CG 3.21Å; Q162-Q166 PolarHBondContact O-N 3.22Å; Q166-R168 VanDerWaalsContact C-N 3.32Å; Q166-R168 PolarHBondContact O-N 3.31Å; Q166-D169 PolarHBondContact O-N 3.38Å; Q166-I170 VanDerWaalsContact O-CG1 3.3Å; Q166-I170 WeakPolarHBondContact O-CG1 3.5Å; Q166-I170 PolarHBondContact O-N 3.08Å
167K87.8Confident89.4Confident125 Ų125105.9 Ų105.954%0.54352%0.515SS..Hα-helixtrans-61.9-38.5174.3-81.4179.4178.4-177.40112.5L163 E165 Q171L163-K167 WeakPolarHBondContact O-CB 3.45Å; L163-K167 VanDerWaalsContact O-CG 3.31Å; L163-K167 WeakPolarHBondContact O-CG 3.42Å; L163-K167 PolarHBondContact O-N 3.35Å; E165-K167 PolarHBondContact O-N 2.99Å; K167-Q171 VanDerWaalsContact O-CG 3.31Å; K167-Q171 WeakPolarHBondContact O-CG 3.5Å; K167-Q171 PolarHBondContact O-N 3.37Å
168R93.4Very high88.3Confident143 Ų143110.4 Ų110.454%0.5452%0.519SS..Hα-helixtrans-67.2-42.9175.9-70.2178.9-123.3153.7-0.3110.8A164 E165 Q166 I170 Q171 L172A164-R168 WeakPolarHBondContact O-CG 3.38Å; A164-R168 PolarHBondContact O-N 2.8Å; A164-R168 PolarHBondContact O-NE 3.16Å; E165-R168 WeakPolarHBondContact O-CA 3.28Å; E165-R168 WeakPolarHBondContact O-CB 3.34Å; E165-R168 PolarHBondContact O-N 3.37Å; Q166-R168 VanDerWaalsContact C-N 3.32Å; Q166-R168 PolarHBondContact O-N 3.31Å; R168-I170 PolarHBondContact O-N 3.3Å; R168-Q171 WeakPolarHBondContact O-CB 3.39Å; R168-Q171 PolarHBondContact O-N 2.89Å; R168-Q171 VanDerWaalsContact O-N 3.14Å; R168-L172 PolarHBondContact O-N 3.12Å
169D92.3Very high87.4Confident85 Ų85108.2 Ų108.246%0.45552%0.518SS..Hα-helixtrans-61.8-44177.3-66.4-19.2000111.6E165 Q166 Q171 L172 L173E165-D169 PolarHBondContact O-N 3.49Å; Q166-D169 PolarHBondContact O-N 3.38Å; D169-Q171 VanDerWaalsContact C-N 3.3Å; D169-Q171 PolarHBondContact O-N 3.44Å; D169-L172 WeakPolarHBondContact O-CB 3.36Å; D169-L172 PolarHBondContact O-N 3.38Å; D169-L173 WeakPolarHBondContact O-CB 3.42Å; D169-L173 WeakPolarHBondContact O-CG 3.39Å; D169-L173 PolarHBondContact O-N 3.48Å
170I86.9Confident86.3Confident91 Ų91106 Ų10647%0.46751%0.509SS..Hα-helixtrans-60.5-41.4174.9-70.4167.8000110.9Q166 R168 L172 L173 K174Q166-I170 VanDerWaalsContact O-CG1 3.3Å; Q166-I170 WeakPolarHBondContact O-CG1 3.5Å; Q166-I170 PolarHBondContact O-N 3.08Å; R168-I170 PolarHBondContact O-N 3.3Å; I170-L172 VanDerWaalsContact C-N 3.34Å; I170-L173 PolarHBondContact O-N 2.94Å; I170-K174 HydrophobicContact CG2-CD 4.22Å; I170-K174 HydrophobicContact CG2-CG 4.45Å; I170-K174 WeakPolarHBondContact O-CB 3.38Å; I170-K174 VanDerWaalsContact O-CG 3.28Å; I170-K174 WeakPolarHBondContact O-CG 3.49Å; I170-K174 PolarHBondContact O-N 3.25Å
171Q82.4Confident85Confident128 Ų128102.1 Ų102.160%0.59849%0.49SS*.Hα-helixtrans-63.4-40.8176.4-75.9175.2-8.400111.9K167 R168 D169 K174 A175K167-Q171 VanDerWaalsContact O-CG 3.31Å; K167-Q171 WeakPolarHBondContact O-CG 3.5Å; K167-Q171 PolarHBondContact O-N 3.37Å; R168-Q171 WeakPolarHBondContact O-CB 3.39Å; R168-Q171 PolarHBondContact O-N 2.89Å; R168-Q171 VanDerWaalsContact O-N 3.14Å; D169-Q171 VanDerWaalsContact C-N 3.3Å; D169-Q171 PolarHBondContact O-N 3.44Å; Q171-K174 PolarHBondContact O-N 3.45Å; Q171-A175 PolarHBondContact O-N 3.13Å
172L91.4Very high83.7Confident122 Ų122100.7 Ų100.764%0.63949%0.494SS*.Hα-helixtrans-64.7-47.2176.4-175.565.5000111.3R168 D169 I170 K174 A175 Y176R168-L172 PolarHBondContact O-N 3.12Å; D169-L172 WeakPolarHBondContact O-CB 3.36Å; D169-L172 PolarHBondContact O-N 3.38Å; I170-L172 VanDerWaalsContact C-N 3.34Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 3.22Å; L172-A175 WeakPolarHBondContact O-CB 3.44Å; L172-A175 PolarHBondContact O-N 3.45Å; L172-Y176 PolarHBondContact O-N 2.97Å
173L84.5Confident82.6Confident108 Ų10899.6 Ų99.657%0.56550%0.502SS*.Hα-helixtrans-59.1-42.5175.3-73.2171.8000111.5D169 I170 A175 Y176 M177D169-L173 WeakPolarHBondContact O-CB 3.42Å; D169-L173 WeakPolarHBondContact O-CG 3.39Å; D169-L173 PolarHBondContact O-N 3.48Å; I170-L173 PolarHBondContact O-N 2.94Å; L173-A175 VanDerWaalsContact C-N 3.31Å; L173-A175 PolarHBondContact O-N 2.86Å; L173-Y176 PolarHBondContact O-N 2.98Å; L173-M177 WeakPolarHBondContact O-CB 3.22Å; L173-M177 WeakPolarHBondContact O-CG 3.15Å; L173-M177 PolarHBondContact O-N 3.37Å
174K75.4Confident81.7Confident118 Ų11898.3 Ų98.351%0.51350%0.496SS..Hα-helixtrans-62-36.8173.8-77.5-178.7177-167.90112.6I170 Q171 L172 M177 R178I170-K174 HydrophobicContact CG2-CD 4.22Å; I170-K174 HydrophobicContact CG2-CG 4.45Å; I170-K174 WeakPolarHBondContact O-CB 3.38Å; I170-K174 VanDerWaalsContact O-CG 3.28Å; I170-K174 WeakPolarHBondContact O-CG 3.49Å; I170-K174 PolarHBondContact O-N 3.25Å; Q171-K174 PolarHBondContact O-N 3.45Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 3.22Å; K174-M177 HydrophobicContact CG-CE 4.31Å; K174-R178 WeakPolarHBondContact O-CG 3.43Å; K174-R178 PolarHBondContact O-N 3.4Å; K174-R178 VanDerWaalsContact O-N 3.14Å; K174-R178 PolarHBondContact O-NE 3.11Å; K174-R178 VanDerWaalsContact O-NE 3.09Å
175A75.4Confident80.5Confident44 Ų44100.7 Ų100.736%0.36451%0.509SS..Hα-helixtrans-69-41.9175.200000111.3Q171 L172 L173 R178 A179Q171-A175 PolarHBondContact O-N 3.13Å; L172-A175 WeakPolarHBondContact O-CB 3.44Å; L172-A175 PolarHBondContact O-N 3.45Å; L173-A175 VanDerWaalsContact C-N 3.31Å; L173-A175 PolarHBondContact O-N 2.86Å; A175-R178 PolarHBondContact O-N 2.92Å; A175-A179 PolarHBondContact O-N 3.47Å
176Y78.3Confident79.4Confident159 Ų159101.9 Ų101.962%0.62452%0.518SS*.Hα-helixtrans-64.4-44.2177.5-162.1-108000112.1L172 L173 R178 A179 I180L172-Y176 PolarHBondContact O-N 2.97Å; L173-Y176 PolarHBondContact O-N 2.98Å; Y176-R178 VanDerWaalsContact C-N 3.34Å; Y176-R178 PolarHBondContact O-N 3.45Å; Y176-A179 PolarHBondContact O-N 3.13Å; Y176-I180 HydrophobicContact CD1-CD1 3.51Å; Y176-I180 HydrophobicContact CD1-CG1 4.32Å; Y176-I180 HydrophobicContact CE1-CD1 3.34Å; Y176-I180 HydrophobicContact CE1-CG1 4.18Å; Y176-I180 HydrophobicContact CG-CD1 4.46Å; Y176-I180 WeakPolarHBondContact O-CG1 3.42Å; Y176-I180 PolarHBondContact O-N 2.78Å
177M73.9Confident77.9Confident90 Ų9099.8 Ų99.844%0.44351%0.51SS..Hα-helixtrans-58.9-45.1173.3-75.6-165.6-67.500111.5L173 K174 A179 I180 R181L173-M177 WeakPolarHBondContact O-CB 3.22Å; L173-M177 WeakPolarHBondContact O-CG 3.15Å; L173-M177 PolarHBondContact O-N 3.37Å; K174-M177 HydrophobicContact CG-CE 4.31Å; M177-A179 VanDerWaalsContact C-N 3.33Å; M177-A179 PolarHBondContact O-N 3.32Å; M177-I180 PolarHBondContact O-N 3.01Å; M177-R181 WeakPolarHBondContact O-CB 3.19Å; M177-R181 VanDerWaalsContact O-CD 3.26Å; M177-R181 WeakPolarHBondContact O-CD 3.31Å; M177-R181 WeakPolarHBondContact O-CG 3.09Å; M177-R181 PolarHBondContact O-N 2.81Å
178R73.8Confident76.7Confident156 Ų15698.2 Ų98.259%0.58951%0.505SS*.Hα-helixtrans-58.9-42.6175.1-79.5179.7-79.4161.8-6.3112.4K174 A175 Y176 R181 S182K174-R178 WeakPolarHBondContact O-CG 3.43Å; K174-R178 PolarHBondContact O-N 3.4Å; K174-R178 VanDerWaalsContact O-N 3.14Å; K174-R178 PolarHBondContact O-NE 3.11Å; K174-R178 VanDerWaalsContact O-NE 3.09Å; A175-R178 PolarHBondContact O-N 2.92Å; Y176-R178 VanDerWaalsContact C-N 3.34Å; Y176-R178 PolarHBondContact O-N 3.45Å; R178-R181 PolarHBondContact O-N 2.9Å; R178-S182 PolarHBondContact O-N 2.99Å; R178-S182 PolarHBondContact O-OG 3.15Å
179A76.5Confident75.3Confident52 Ų5295.8 Ų95.843%0.4350%0.502SS..Hα-helixtrans-63.5-46.7176.900000112.1A175 Y176 M177 R181 S182 A183A175-A179 PolarHBondContact O-N 3.47Å; Y176-A179 PolarHBondContact O-N 3.13Å; M177-A179 VanDerWaalsContact C-N 3.33Å; M177-A179 PolarHBondContact O-N 3.32Å; A179-R181 VanDerWaalsContact C-N 3.32Å; A179-R181 PolarHBondContact O-N 3.27Å; A179-S182 PolarHBondContact O-N 3.3Å; A179-S182 PolarHBondContact O-OG 3.49Å; A179-A183 PolarHBondContact O-N 2.97Å
180I75.1Confident74.2Confident76 Ų7696.4 Ų96.439%0.3951%0.505SS..Hα-helixtrans-59.9-43.5176.2-70.5170.7000111.1Y176 M177 A183 N184 L187Y176-I180 HydrophobicContact CD1-CD1 3.51Å; Y176-I180 HydrophobicContact CD1-CG1 4.32Å; Y176-I180 HydrophobicContact CE1-CD1 3.34Å; Y176-I180 HydrophobicContact CE1-CG1 4.18Å; Y176-I180 HydrophobicContact CG-CD1 4.46Å; Y176-I180 WeakPolarHBondContact O-CG1 3.42Å; Y176-I180 PolarHBondContact O-N 2.78Å; M177-I180 PolarHBondContact O-N 3.01Å; I180-A183 PolarHBondContact O-N 3.16Å; I180-N184 PolarHBondContact O-N 3.4Å; I180-L187 HydrophobicContact CG2-CD1 4.01Å
181R67.6Low73.1Confident82 Ų8294.7 Ų94.731%0.30950%0.495SS..Hα-helixtrans-62.3-47.4179.1-71.1161.4-177.4-160.2-0.7111.5M177 R178 A179 A183 N184 E191M177-R181 WeakPolarHBondContact O-CB 3.19Å; M177-R181 VanDerWaalsContact O-CD 3.26Å; M177-R181 WeakPolarHBondContact O-CD 3.31Å; M177-R181 WeakPolarHBondContact O-CG 3.09Å; M177-R181 PolarHBondContact O-N 2.81Å; R178-R181 PolarHBondContact O-N 2.9Å; A179-R181 VanDerWaalsContact C-N 3.32Å; A179-R181 PolarHBondContact O-N 3.27Å; R181-A183 PolarHBondContact O-N 2.83Å; R181-A183 VanDerWaalsContact O-N 3.14Å; R181-N184 CarbonylContact O-C 3.59Å; R181-N184 PolarHBondContact O-N 2.78Å; R181-E191 WeakPolarHBondContact CD-OE2 3.17Å; R181-E191 IonicContact CZ-OE1 2.61Å; R181-E191 IonicContact CZ-OE2 3.1Å; R181-E191 IonicContact NE-OE2 3.79Å; R181-E191 VanDerWaalsContact NH1-CD 3.26Å; R181-E191 IonicContact NH1-OE1 3.71Å; R181-E191 PolarHBondContact NH1-OE1 3.14Å; R181-E191 IonicContact NH1-OE2 3.16Å; R181-E191 PolarHBondContact NH1-OE2 3.45Å; R181-E191 VanDerWaalsContact NH1-OE2 3.16Å
182S69.5Low72.4Confident89 Ų8992.7 Ų92.762%0.62249%0.488SS*.Hα-helixtrans-62.2-23.5177.869.80000113.6R178 A179R178-S182 PolarHBondContact O-N 2.99Å; R178-S182 PolarHBondContact O-OG 3.15Å; A179-S182 PolarHBondContact O-N 3.3Å; A179-S182 PolarHBondContact O-OG 3.49Å
183A73.8Confident71.5Confident82 Ų8290.4 Ų90.468%0.67848%0.48SS*.THydrogen-bonded Turntrans-87.9-8.6177.900000113.7A179 I180 R181A179-A183 PolarHBondContact O-N 2.97Å; I180-A183 PolarHBondContact O-N 3.16Å; R181-A183 PolarHBondContact O-N 2.83Å; R181-A183 VanDerWaalsContact O-N 3.14Å
184N73.3Confident71.1Confident63 Ų6389.4 Ų89.434%0.33747%0.474SS..  trans-134.2102.5-175.6-165.3-23.7000112.2I180 R181 N186 L187 Q188I180-N184 PolarHBondContact O-N 3.4Å; R181-N184 CarbonylContact O-C 3.59Å; R181-N184 PolarHBondContact O-N 2.78Å; N184-N186 PolarHBondContact O-N 3Å; N184-N186 VanDerWaalsContact O-N 3.12Å; N184-N186 PolarHBondContact OD1-N 3.35Å; N184-L187 HydrophobicContact CB-CB 4.29Å; N184-L187 HydrophobicContact CB-CD1 4.01Å; N184-L187 HydrophobicContact CB-CG 4.25Å; N184-L187 PolarHBondContact O-N 2.86Å; N184-Q188 PolarHBondContact O-N 3.04Å
185P70.2Confident71.3Confident90 Ų9087.3 Ų87.358%0.58447%0.466SS*.Hα-helixtrans-56.8-30.6-178.1-24.332.4000114.3L187 Q188 N189P185-L187 VanDerWaalsContact C-N 3.35Å; P185-Q188 PolarHBondContact O-N 2.92Å; P185-N189 VanDerWaalsContact O-CG 3.28Å; P185-N189 PolarHBondContact O-N 2.77Å; P185-N189 PolarHBondContact O-ND2 3.33Å
186N72.1Confident71.6Confident122 Ų12290.2 Ų90.265%0.65247%0.468SS*.Hα-helixtrans-70.8-31.4178.8-69.7-33.7000112.5N184 L190N184-N186 PolarHBondContact O-N 3Å; N184-N186 VanDerWaalsContact O-N 3.12Å; N184-N186 PolarHBondContact OD1-N 3.35Å; N186-L190 WeakPolarHBondContact O-CB 3.44Å; N186-L190 PolarHBondContact O-N 2.9Å
187L62.2Low71.9Confident70 Ų7086.2 Ų86.237%0.36646%0.458SS..Hα-helixtrans-76.6-31175.1-72.3174.5000111.5I180 N184 P185 L190 E191I180-L187 HydrophobicContact CG2-CD1 4.01Å; N184-L187 HydrophobicContact CB-CB 4.29Å; N184-L187 HydrophobicContact CB-CD1 4.01Å; N184-L187 HydrophobicContact CB-CG 4.25Å; N184-L187 PolarHBondContact O-N 2.86Å; P185-L187 VanDerWaalsContact C-N 3.35Å; L187-L190 PolarHBondContact O-N 2.67Å; L187-E191 PolarHBondContact O-N 3.04Å; L187-E191 VanDerWaalsContact O-N 3.07Å
188Q62.6Low72.6Confident92 Ų9286.5 Ų86.543%0.4346%0.458SS..Hα-helixtrans-68.3-47.5173.6-169134.48.300111.4N184 P185 L190 E191 D192N184-Q188 PolarHBondContact O-N 3.04Å; P185-Q188 PolarHBondContact O-N 2.92Å; Q188-L190 PolarHBondContact O-N 3.49Å; Q188-E191 WeakPolarHBondContact O-CB 3.48Å; Q188-E191 PolarHBondContact O-N 3.08Å; Q188-D192 PolarHBondContact O-N 3.36Å
189N64.7Low73.4Confident93 Ų9380 Ų8050%0.49744%0.435SS..Hα-helixtrans-59.2-34.5174.1-69.1-23.8000112.6P185 T193P185-N189 VanDerWaalsContact O-CG 3.28Å; P185-N189 PolarHBondContact O-N 2.77Å; P185-N189 PolarHBondContact O-ND2 3.33Å; N189-T193 WeakPolarHBondContact O-CB 3.28Å; N189-T193 PolarHBondContact O-N 3.03Å; N189-T193 PolarHBondContact O-OG1 3.26Å
190L67.6Low74Confident97 Ų9779.9 Ų79.951%0.50843%0.427SS..Hα-helixtrans-69.7-37.4176-164.678.7000111.7N186 L187 Q188 T193 I194N186-L190 WeakPolarHBondContact O-CB 3.44Å; N186-L190 PolarHBondContact O-N 2.9Å; L187-L190 PolarHBondContact O-N 2.67Å; Q188-L190 PolarHBondContact O-N 3.49Å; L190-T193 PolarHBondContact O-N 3.01Å; L190-I194 HydrophobicContact CG-CD1 4.21Å; L190-I194 WeakPolarHBondContact O-CD1 3.18Å; L190-I194 VanDerWaalsContact O-CG1 3.23Å; L190-I194 WeakPolarHBondContact O-CG1 3.32Å; L190-I194 PolarHBondContact O-N 3.14Å
191E65.1Low74.8Confident56 Ų5683.1 Ų83.126%0.26244%0.44SS..Hα-helixtrans-66.4-46.8174.8-175.9162.7-152.600111.2R181 L187 Q188 T193 I194 E195R181-E191 WeakPolarHBondContact CD-OE2 3.17Å; R181-E191 IonicContact CZ-OE1 2.61Å; R181-E191 IonicContact CZ-OE2 3.1Å; R181-E191 IonicContact NE-OE2 3.79Å; R181-E191 VanDerWaalsContact NH1-CD 3.26Å; R181-E191 IonicContact NH1-OE1 3.71Å; R181-E191 PolarHBondContact NH1-OE1 3.14Å; R181-E191 IonicContact NH1-OE2 3.16Å; R181-E191 PolarHBondContact NH1-OE2 3.45Å; R181-E191 VanDerWaalsContact NH1-OE2 3.16Å; L187-E191 PolarHBondContact O-N 3.04Å; L187-E191 VanDerWaalsContact O-N 3.07Å; Q188-E191 WeakPolarHBondContact O-CB 3.48Å; Q188-E191 PolarHBondContact O-N 3.08Å; E191-T193 PolarHBondContact O-N 3.28Å; E191-I194 PolarHBondContact O-N 3.45Å; E191-E195 HydrophobicContact CG-CG 4.49Å; E191-E195 PolarHBondContact O-N 3.48Å
192D67.5Low76.2Confident85 Ų8579.7 Ų79.746%0.45543%0.427SS..Hα-helixtrans-58.6-36.3174.9-61.6-26.1000111.1Q188 Y196Q188-D192 PolarHBondContact O-N 3.36Å; D192-Y196 WeakPolarHBondContact O-CB 3.31Å; D192-Y196 PolarHBondContact O-N 2.66Å
193T72.8Confident77.4Confident74 Ų7475.5 Ų75.545%0.45440%0.398SS..Hα-helixtrans-69.6-40.3175.3-55.30000112.3N189 L190 E191 N197N189-T193 WeakPolarHBondContact O-CB 3.28Å; N189-T193 PolarHBondContact O-N 3.03Å; N189-T193 PolarHBondContact O-OG1 3.26Å; L190-T193 PolarHBondContact O-N 3.01Å; E191-T193 PolarHBondContact O-N 3.28Å; T193-N197 WeakPolarHBondContact O-CB 3.44Å; T193-N197 PolarHBondContact O-N 3.04Å; T193-N197 PolarHBondContact O-ND2 2.89Å; T193-N197 VanDerWaalsContact O-ND2 3.12Å
194I75.9Confident78.3Confident87 Ų8776.9 Ų76.945%0.44639%0.394SS..Hα-helixtrans-69.3-47.3178.6-69.6163.4000110.4L190 E191 Y196 N197 E198L190-I194 HydrophobicContact CG-CD1 4.21Å; L190-I194 WeakPolarHBondContact O-CD1 3.18Å; L190-I194 VanDerWaalsContact O-CG1 3.23Å; L190-I194 WeakPolarHBondContact O-CG1 3.32Å; L190-I194 PolarHBondContact O-N 3.14Å; E191-I194 PolarHBondContact O-N 3.45Å; I194-Y196 VanDerWaalsContact C-N 3.31Å; I194-Y196 PolarHBondContact O-N 2.91Å; I194-N197 PolarHBondContact O-N 3.39Å; I194-N197 VanDerWaalsContact O-N 3.17Å; I194-E198 PolarHBondContact O-N 3.42Å
195E78.8Confident79.4Confident74 Ų7477.3 Ų77.335%0.34640%0.402SS..Hα-helixtrans-60-43176.2-72-167.217200110.9E191 N197 E198 I199E191-E195 HydrophobicContact CG-CG 4.49Å; E191-E195 PolarHBondContact O-N 3.48Å; E195-N197 VanDerWaalsContact C-N 3.34Å; E195-N197 PolarHBondContact O-N 3.17Å; E195-E198 PolarHBondContact O-N 3.04Å; E195-I199 VanDerWaalsContact O-CG1 3.24Å; E195-I199 WeakPolarHBondContact O-CG1 3.49Å; E195-I199 PolarHBondContact O-N 3.36Å
196Y81.6Confident80.6Confident105 Ų10573.5 Ų73.541%0.41238%0.377SS..Hα-helixtrans-62.6-39.3175.6-172.8-102.8000112.7D192 I194 I199 L200 C291D192-Y196 WeakPolarHBondContact O-CB 3.31Å; D192-Y196 PolarHBondContact O-N 2.66Å; I194-Y196 VanDerWaalsContact C-N 3.31Å; I194-Y196 PolarHBondContact O-N 2.91Å; Y196-I199 PolarHBondContact O-N 3.07Å; Y196-L200 HydrophobicContact CD1-CD1 3.76Å; Y196-L200 HydrophobicContact CD1-CG 4.23Å; Y196-L200 HydrophobicContact CE1-CD1 3.35Å; Y196-L200 HydrophobicContact CE1-CD2 4.45Å; Y196-L200 HydrophobicContact CE1-CG 3.92Å; Y196-L200 WeakPolarHBondContact O-CG 3.45Å; Y196-L200 PolarHBondContact O-N 3.32Å; Y196-C291 HydrophobicContact CE2-CB 4.09Å
197N84.8Confident81.7Confident76 Ų7672.8 Ų72.841%0.40637%0.369SS..Hα-helixtrans-65.8-42.3175.4-73.1-26.7000112.2T193 I194 E195 I199 L200 E201T193-N197 WeakPolarHBondContact O-CB 3.44Å; T193-N197 PolarHBondContact O-N 3.04Å; T193-N197 PolarHBondContact O-ND2 2.89Å; T193-N197 VanDerWaalsContact O-ND2 3.12Å; I194-N197 PolarHBondContact O-N 3.39Å; I194-N197 VanDerWaalsContact O-N 3.17Å; E195-N197 VanDerWaalsContact C-N 3.34Å; E195-N197 PolarHBondContact O-N 3.17Å; N197-I199 VanDerWaalsContact C-N 3.29Å; N197-I199 PolarHBondContact O-N 3.36Å; N197-L200 PolarHBondContact O-N 2.85Å; N197-E201 WeakPolarHBondContact O-CG 3.45Å; N197-E201 PolarHBondContact O-N 2.78Å
198E88.6Confident83.3Confident95 Ų9572 Ų7244%0.44437%0.369SS..Hα-helixtrans-60.5-40.4175-72.5-176.5179.500111.5I194 E195 W202 P239I194-E198 PolarHBondContact O-N 3.42Å; E195-E198 PolarHBondContact O-N 3.04Å; E198-W202 PolarHBondContact O-N 3.41Å; E198-P239 HydrophobicContact CB-CG 4.4Å
199I90.5Very high84.9Confident20 Ų2068 Ų6810%0.10335%0.351CS..Hα-helixtrans-62.8-48.9174.5-65166.7000110.3E195 Y196 N197 E201 W202 V203 P239 I242 M289E195-I199 VanDerWaalsContact O-CG1 3.24Å; E195-I199 WeakPolarHBondContact O-CG1 3.49Å; E195-I199 PolarHBondContact O-N 3.36Å; Y196-I199 PolarHBondContact O-N 3.07Å; N197-I199 VanDerWaalsContact C-N 3.29Å; N197-I199 PolarHBondContact O-N 3.36Å; I199-E201 PolarHBondContact O-N 2.91Å; I199-W202 PolarHBondContact O-N 3.28Å; I199-V203 HydrophobicContact CG2-CG2 4.15Å; I199-V203 WeakPolarHBondContact O-CB 3.41Å; I199-V203 WeakPolarHBondContact O-CG2 3.46Å; I199-V203 PolarHBondContact O-N 3Å; I199-P239 HydrophobicContact CG1-CB 4.45Å; I199-P239 HydrophobicContact CG1-CG 4.03Å; I199-I242 HydrophobicContact CD1-CD1 4.28Å; I199-I242 HydrophobicContact CD1-CG2 3.72Å; I199-I242 HydrophobicContact CG1-CD1 3.92Å; I199-I242 HydrophobicContact CG1-CG2 4.34Å; I199-I242 HydrophobicContact CG2-CD1 4.12Å; I199-M289 HydrophobicContact CG2-CE 3.58Å
200L89.8Confident86.4Confident50 Ų5070.4 Ų70.426%0.26235%0.353SS..Hα-helixtrans-60.8-42.8179-76.4178.7000112.6Y196 N197 V203 N204Y196-L200 HydrophobicContact CD1-CD1 3.76Å; Y196-L200 HydrophobicContact CD1-CG 4.23Å; Y196-L200 HydrophobicContact CE1-CD1 3.35Å; Y196-L200 HydrophobicContact CE1-CD2 4.45Å; Y196-L200 HydrophobicContact CE1-CG 3.92Å; Y196-L200 WeakPolarHBondContact O-CG 3.45Å; Y196-L200 PolarHBondContact O-N 3.32Å; N197-L200 PolarHBondContact O-N 2.85Å; L200-V203 PolarHBondContact O-N 3.41Å; L200-N204 VanDerWaalsContact O-CB 3.29Å; L200-N204 WeakPolarHBondContact O-CB 2.99Å; L200-N204 PolarHBondContact O-N 3Å; L200-N204 PolarHBondContact O-ND2 2.99Å
201E92.7Very high87.7Confident143 Ų14366.5 Ų66.567%0.66833%0.333SS*.Hα-helixtrans-59.8-46.3176.2-76.3-177179.800111.6N197 I199 N204 S205N197-E201 WeakPolarHBondContact O-CG 3.45Å; N197-E201 PolarHBondContact O-N 2.78Å; I199-E201 PolarHBondContact O-N 2.91Å; E201-N204 PolarHBondContact O-N 3.14Å; E201-S205 PolarHBondContact O-N 3.43Å; E201-S205 VanDerWaalsContact O-N 3.12Å
202W95.4Very high89.1Confident11 Ų1166.6 Ų66.64%0.04234%0.338CS..Hα-helixtrans-62.4-48.3176.117063000111.9E198 I199 N204 S205 L206 L233 S236 G237 C238 P239 I242 L246 V287 M289E198-W202 PolarHBondContact O-N 3.41Å; I199-W202 PolarHBondContact O-N 3.28Å; W202-N204 VanDerWaalsContact C-N 3.29Å; W202-N204 PolarHBondContact O-N 3.33Å; W202-S205 WeakPolarHBondContact O-CB 3.4Å; W202-S205 PolarHBondContact O-N 3.31Å; W202-S205 PolarHBondContact O-OG 2.86Å; W202-L206 HydrophobicContact CH2-CD1 4.23Å; W202-L206 HydrophobicContact CZ2-CD1 3.74Å; W202-L206 PolarHBondContact O-N 2.95Å; W202-L233 HydrophobicContact CH2-CD2 4.16Å; W202-L233 HydrophobicContact CZ2-CD2 3.89Å; W202-S236 VanDerWaalsContact CD1-O 3.31Å; W202-S236 PolarHBondContact NE1-O 2.82Å; W202-S236 PolarHBondContact NE1-OG 3.12Å; W202-S236 VanDerWaalsContact NE1-OG 3.11Å; W202-G237 VanDerWaalsContact CD1-C 3.43Å; W202-C238 HydrophobicContact CD2-CB 4.08Å; W202-C238 VanDerWaalsContact CE2-CA 3.5Å; W202-C238 VanDerWaalsContact CE2-CB 3.49Å; W202-C238 HydrophobicContact CH2-CB 4.06Å; W202-C238 WeakPolarHBondContact CH2-SG 3.37Å; W202-C238 HydrophobicContact CZ2-CB 3.48Å; W202-C238 VanDerWaalsContact CZ2-CB 3.48Å; W202-C238 WeakPolarHBondContact CZ2-SG 3.43Å; W202-P239 HydrophobicContact CB-CG 4.31Å; W202-I242 HydrophobicContact CE3-CD1 4.15Å; W202-I242 HydrophobicContact CZ3-CD1 3.81Å; W202-L246 HydrophobicContact CH2-CD1 3.77Å; W202-L246 HydrophobicContact CZ3-CD1 4.02Å; W202-V287 HydrophobicContact CH2-CG1 4.27Å; W202-V287 HydrophobicContact CH2-CG2 4.25Å; W202-M289 HydrophobicContact CZ3-CE 4.27Å; W202-M289 HydrophobicContact CZ3-SD 3.96Å
203V94.6Very high90.4Very high0 Ų069.2 Ų69.20%034%0.341CS..Hα-helixtrans-60.4-39.5-1801720000111.9I199 L200 S205 L206 K278 M289 E292I199-V203 HydrophobicContact CG2-CG2 4.15Å; I199-V203 WeakPolarHBondContact O-CB 3.41Å; I199-V203 WeakPolarHBondContact O-CG2 3.46Å; I199-V203 PolarHBondContact O-N 3Å; L200-V203 PolarHBondContact O-N 3.41Å; V203-S205 VanDerWaalsContact C-N 3.26Å; V203-S205 PolarHBondContact O-N 2.95Å; V203-L206 PolarHBondContact O-N 2.83Å; V203-K278 HydrophobicContact CG1-CG 4.33Å; V203-M289 HydrophobicContact CG1-CG 4.32Å; V203-M289 HydrophobicContact CG2-CB 4.44Å; V203-M289 HydrophobicContact CG2-CE 4.06Å; V203-M289 HydrophobicContact CG2-CG 3.6Å; V203-M289 HydrophobicContact CG2-SD 4.27Å; V203-E292 HydrophobicContact CG1-CG 4.07Å; V203-E292 WeakPolarHBondContact CG1-OE2 3.39Å
204N93.4Very high91.5Very high112 Ų11266.7 Ų66.760%0.59932%0.323SS*.Hα-helixtrans-68.8-23.6175.9-73.5-36.3000113.2L200 E201 W202 L206L200-N204 VanDerWaalsContact O-CB 3.29Å; L200-N204 WeakPolarHBondContact O-CB 2.99Å; L200-N204 PolarHBondContact O-N 3Å; L200-N204 PolarHBondContact O-ND2 2.99Å; E201-N204 PolarHBondContact O-N 3.14Å; W202-N204 VanDerWaalsContact C-N 3.29Å; W202-N204 PolarHBondContact O-N 3.33Å; N204-L206 VanDerWaalsContact C-N 3.34Å
205S95.6Very high92.2Very high72 Ų7265.6 Ų65.650%0.50333%0.334SS..Hα-helixtrans-76.2-20.2175.381.20000113.7E201 W202 V203E201-S205 PolarHBondContact O-N 3.43Å; E201-S205 VanDerWaalsContact O-N 3.12Å; W202-S205 WeakPolarHBondContact O-CB 3.4Å; W202-S205 PolarHBondContact O-N 3.31Å; W202-S205 PolarHBondContact O-OG 2.86Å; V203-S205 VanDerWaalsContact C-N 3.26Å; V203-S205 PolarHBondContact O-N 2.95Å
206L95.4Very high92.9Very high10 Ų1063 Ų635%0.05233%0.326CS..SBendtrans-80.9146.8-178.2-62.4178.8000112.2W202 V203 N204 K278 P281W202-L206 HydrophobicContact CH2-CD1 4.23Å; W202-L206 HydrophobicContact CZ2-CD1 3.74Å; W202-L206 PolarHBondContact O-N 2.95Å; V203-L206 PolarHBondContact O-N 2.83Å; N204-L206 VanDerWaalsContact C-N 3.34Å; L206-K278 HydrophobicContact CB-CB 3.77Å; L206-K278 HydrophobicContact CB-CD 4.24Å; L206-K278 HydrophobicContact CB-CG 4.2Å; L206-K278 HydrophobicContact CD1-CB 3.81Å; L206-K278 HydrophobicContact CD1-CG 4.48Å; L206-K278 HydrophobicContact CG-CB 4.48Å; L206-P281 HydrophobicContact CD2-CG 4.48Å
207Q95.4Very high93.6Very high107 Ų10759.2 Ų59.250%0.531%0.313SS..PPolyproline II helixtrans-73.5136.4176.5-64.5-57.7-52.600111.1K278 R279Q207-K278 CarbonylContact O-C 3.49Å; Q207-K278 WeakPolarHBondContact O-CA 3.09Å; Q207-R279 PolarHBondContact O-N 2.97Å
208P96.2Very high94.2Very high54 Ų5458.2 Ų58.235%0.35131%0.307SS..EExtended strand (participates in β ladder)trans-59139.5170.3-22.333.6000111.8I317P208-I317 HydrophobicContact CB-CB 4.36Å; P208-I317 HydrophobicContact CB-CD1 4.18Å; P208-I317 PolarHBondContact O-N 3.33Å
209A96.3Very high94.6Very high8 Ų854.5 Ų54.57%0.06629%0.292CS..EExtended strand (participates in β ladder)trans-116.1143.1-179.600000111.3A277 R279 V286 V314 E315A209-A277 HydrophobicContact CB-CB 4.33Å; A209-A277 PolarHBondContact N-O 3.11Å; A209-R279 HydrophobicContact CB-CB 3.92Å; A209-V286 HydrophobicContact CB-CG1 3.58Å; A209-V314 HydrophobicContact CB-CG1 4.17Å; A209-E315 CarbonylContact C-O 3.55Å; A209-E315 WeakPolarHBondContact CA-O 3.45Å
210R95.7Very high94.9Very high143 Ų14357.3 Ų57.354%0.5431%0.31SS..EExtended strand (participates in β ladder)trans-111.9124.5165.2-172.8176.768.2176.9-0.6109.6T212 E315 I317R210-T212 HydrophobicContact CG-CG2 4.49Å; R210-E315 IonicContact CZ-OE2 3.43Å; R210-E315 PolarHBondContact N-O 3.32Å; R210-E315 IonicContact NE-OE2 3.77Å; R210-E315 IonicContact NH2-OE2 3.13Å; R210-E315 PolarHBondContact NH2-OE2 3.14Å; R210-E315 PolarHBondContact O-N 3.02Å; R210-I317 HydrophobicContact CB-CD1 4.14Å; R210-I317 HydrophobicContact CB-CG1 3.87Å
211V96.5Very high95.2Very high14 Ų1455.2 Ų55.29%0.08530%0.299CS..EExtended strand (participates in β ladder)trans-95.1112.5174.1-178.80000108.9W214 V286 F310 G313 V314V211-W214 HydrophobicContact CB-CD2 4.22Å; V211-W214 HydrophobicContact CB-CH2 4.04Å; V211-W214 HydrophobicContact CB-CZ2 3.64Å; V211-W214 HydrophobicContact CB-CZ3 4.47Å; V211-W214 HydrophobicContact CG1-CD2 3.75Å; V211-W214 HydrophobicContact CG1-CE3 4.03Å; V211-W214 HydrophobicContact CG1-CG 4.18Å; V211-W214 HydrophobicContact CG1-CH2 4.38Å; V211-W214 HydrophobicContact CG1-CZ2 4.12Å; V211-W214 HydrophobicContact CG1-CZ3 4.33Å; V211-W214 HydrophobicContact CG2-CH2 4.08Å; V211-W214 HydrophobicContact CG2-CZ2 4.14Å; V211-W214 PolarHBondContact O-NE1 2.61Å; V211-V286 HydrophobicContact CG2-CG1 4.03Å; V211-V286 HydrophobicContact CG2-CG2 4.33Å; V211-F310 HydrophobicContact CG1-CD1 4.17Å; V211-F310 HydrophobicContact CG1-CE1 3.66Å; V211-F310 HydrophobicContact CG1-CE2 4.23Å; V211-F310 HydrophobicContact CG1-CZ 3.69Å; V211-F310 HydrophobicContact CG2-CE2 4.1Å; V211-F310 HydrophobicContact CG2-CZ 4.17Å; V211-G313 CarbonylContact C-O 3.5Å; V211-G313 WeakPolarHBondContact CA-O 3.38Å; V211-V314 HydrophobicContact CG2-CG2 4.48Å
212T94.7Very high95.4Very high59 Ų5953.1 Ų53.136%0.36229%0.293SS..SBendtrans-90.9-18.4-179.260.70000112.9R210 G313 E315R210-T212 HydrophobicContact CG-CG2 4.49Å; T212-G313 PolarHBondContact N-O 3Å; T212-G313 PolarHBondContact OG1-O 3.27Å; T212-E315 HydrophobicContact CG2-CG 4.45Å
213R94.2Very high95.4Very high139 Ų13956.2 Ų56.253%0.52532%0.321SS..  trans-133.473.8-174.8-65.4-175.5-178.6-151.1-1.5113G215 G216 H312R213-G215 PolarHBondContact O-N 3.12Å; R213-G215 VanDerWaalsContact O-N 3.15Å; R213-G216 PolarHBondContact O-N 3.33Å; R213-H312 WeakPolarHBondContact CD-CD2 3.46Å; R213-H312 WeakPolarHBondContact CD-NE2 3.36Å; R213-H312 PolarHBondContact NH1-CD2 3.39Å; R213-H312 PolarHBondContact NH1-NE2 2.82Å
214W94.5Very high95.5Very high21 Ų2161.1 Ų61.18%0.0835%0.351CS..G310 helixtrans-56-29.7176.4-67.8103.4000115V211 G216 M217 R269 Y272 Y275 M308 F310V211-W214 HydrophobicContact CB-CD2 4.22Å; V211-W214 HydrophobicContact CB-CH2 4.04Å; V211-W214 HydrophobicContact CB-CZ2 3.64Å; V211-W214 HydrophobicContact CB-CZ3 4.47Å; V211-W214 HydrophobicContact CG1-CD2 3.75Å; V211-W214 HydrophobicContact CG1-CE3 4.03Å; V211-W214 HydrophobicContact CG1-CG 4.18Å; V211-W214 HydrophobicContact CG1-CH2 4.38Å; V211-W214 HydrophobicContact CG1-CZ2 4.12Å; V211-W214 HydrophobicContact CG1-CZ3 4.33Å; V211-W214 HydrophobicContact CG2-CH2 4.08Å; V211-W214 HydrophobicContact CG2-CZ2 4.14Å; V211-W214 PolarHBondContact O-NE1 2.61Å; W214-G216 PolarHBondContact O-N 3.24Å; W214-M217 HydrophobicContact CE3-CE 3.78Å; W214-M217 HydrophobicContact CZ3-CE 4.01Å; W214-M217 WeakPolarHBondContact O-CB 3.28Å; W214-M217 PolarHBondContact O-N 2.81Å; W214-R269 HydrophobicContact CB-CG 4.22Å; W214-Y272 HydrophobicContact CB-CD2 4.38Å; W214-Y272 VanDerWaalsContact CD2-CB 3.49Å; W214-Y272 HydrophobicContact CD2-CD2 4.15Å; W214-Y272 HydrophobicContact CD2-CG 4.27Å; W214-Y272 AromaticContact CE3-CD2 3.88Å; W214-Y272 HydrophobicContact CE3-CD2 3.88Å; W214-Y272 HydrophobicContact CE3-CG 4Å; W214-Y272 HydrophobicContact CG-CD2 4.38Å; W214-Y272 WeakPolarHBondContact CH2-O 3.37Å; W214-Y272 VanDerWaalsContact CZ2-C 3.48Å; W214-Y272 WeakPolarHBondContact CZ2-O 3.24Å; W214-Y272 HydrophobicContact CZ3-CG 4.27Å; W214-Y275 AromaticContact CH2-CD2 3.87Å; W214-Y275 HydrophobicContact CH2-CD2 3.87Å; W214-Y275 HydrophobicContact CZ3-CD2 4.29Å; W214-M308 HydrophobicContact CZ3-SD 3.82Å; W214-F310 HydrophobicContact CE3-CE1 4.13Å; W214-F310 AromaticContact CE3-CZ 3.96Å; W214-F310 HydrophobicContact CE3-CZ 3.96Å; W214-F310 AromaticContact CZ3-CZ 3.94Å; W214-F310 HydrophobicContact CZ3-CZ 3.94Å
215G92.1Very high95.6Very high65 Ų6558.2 Ų58.267%0.6734%0.335SS*.G310 helixtrans-71-12.9176.600000114.7R213 M217R213-G215 PolarHBondContact O-N 3.12Å; R213-G215 VanDerWaalsContact O-N 3.15Å; G215-M217 VanDerWaalsContact C-N 3.26Å; G215-M217 PolarHBondContact O-N 3.19Å
216G93.4Very high95.6Very high18 Ų1856.2 Ų56.219%0.18632%0.317CS..G310 helixtrans-87.712176.400000114R213 W214 F310 A311R213-G216 PolarHBondContact O-N 3.33Å; W214-G216 PolarHBondContact O-N 3.24Å; G216-F310 WeakPolarHBondContact O-CA 3.34Å; G216-A311 PolarHBondContact O-N 3.26Å
217M96.6Very high95.7Very high26 Ų2658.5 Ų58.513%0.12834%0.338CS..EExtended strand (participates in β ladder)trans-68.1130.4-179.3-171.8-175.4-71.300111W214 G215 W255 L259 M308 I309 F310W214-M217 HydrophobicContact CE3-CE 3.78Å; W214-M217 HydrophobicContact CZ3-CE 4.01Å; W214-M217 WeakPolarHBondContact O-CB 3.28Å; W214-M217 PolarHBondContact O-N 2.81Å; G215-M217 VanDerWaalsContact C-N 3.26Å; G215-M217 PolarHBondContact O-N 3.19Å; M217-W255 HydrophobicContact CG-CH2 3.84Å; M217-W255 HydrophobicContact SD-CH2 3.33Å; M217-W255 WeakPolarHBondContact SD-CH2 3.33Å; M217-W255 HydrophobicContact SD-CZ2 4.22Å; M217-W255 HydrophobicContact SD-CZ3 3.68Å; M217-L259 HydrophobicContact CE-CD2 4.44Å; M217-M308 HydrophobicContact CE-CB 4.39Å; M217-M308 HydrophobicContact CE-CG 4.23Å; M217-M308 HydrophobicContact CE-SD 3.61Å; M217-I309 WeakPolarHBondContact CA-O 3.47Å; M217-F310 HydrophobicContact CB-CD1 4Å; M217-F310 HydrophobicContact CB-CE1 3.7Å; M217-F310 HydrophobicContact CB-CZ 4.48Å; M217-F310 HydrophobicContact CE-CE1 3.95Å; M217-F310 HydrophobicContact CE-CZ 3.83Å; M217-F310 HydrophobicContact CG-CE1 4.09Å; M217-F310 HydrophobicContact CG-CZ 4.39Å
218I96.9Very high95.8Very high55 Ų5556.5 Ų56.528%0.28233%0.332SS..EExtended strand (participates in β ladder)trans-91.5101.4174.9-55.9178.1000107.3P221 L225 I309I218-P221 HydrophobicContact CG2-CB 4.34Å; I218-L225 HydrophobicContact CD1-CD2 4.13Å; I218-L225 HydrophobicContact CG2-CD2 4.3Å; I218-I309 HydrophobicContact CB-CB 4.47Å; I218-I309 HydrophobicContact CD1-CG2 4.19Å; I218-I309 PolarHBondContact N-O 2.99Å
219S96.5Very high95.8Very high18 Ų1854 Ų5413%0.12632%0.317CS..SBendtrans-84.9-16.5-175.468.60000114.5P221 E252 W255 R265S219-P221 VanDerWaalsContact C-CD 3.47Å; S219-E252 WeakPolarHBondContact CB-OE2 3.35Å; S219-E252 WeakPolarHBondContact O-CG 3.33Å; S219-E252 PolarHBondContact O-N 3.13Å; S219-E252 PolarHBondContact OG-OE2 2.85Å; S219-W255 VanDerWaalsContact CB-CZ3 3.49Å; S219-R265 PolarHBondContact OG-NH2 3.07Å
220T96.5Very high95.9Very high79 Ų7957 Ų5749%0.48533%0.328SS..SBendtrans-127.862.8-179.3520000111.2D222 E252T220-D222 PolarHBondContact O-N 2.94Å; T220-E252 HydrophobicContact CG2-CG 3.98Å; T220-E252 VanDerWaalsContact CG2-OE1 3.31Å; T220-E252 WeakPolarHBondContact CG2-OE1 3.32Å
221P96.4Very high96Very high6 Ų657.1 Ų57.14%0.03933%0.328CS..  trans-64.2136.2178.629.6-35.8000110.7I218 S219 L225 Q226 A250 H251 I309I218-P221 HydrophobicContact CG2-CB 4.34Å; S219-P221 VanDerWaalsContact C-CD 3.47Å; P221-L225 HydrophobicContact CB-CB 4.33Å; P221-L225 HydrophobicContact CB-CD2 3.79Å; P221-L225 HydrophobicContact CB-CG 4.13Å; P221-Q226 HydrophobicContact CB-CG 4.13Å; P221-Q226 HydrophobicContact CG-CG 3.98Å; P221-A250 WeakPolarHBondContact CG-O 3.49Å; P221-H251 HydrophobicContact CG-CB 4.45Å; P221-I309 HydrophobicContact CB-CD1 3.8Å; P221-I309 HydrophobicContact CG-CD1 4.02Å
222D96.6Very high96Very high98 Ų9857.3 Ų57.352%0.52433%0.33SS..  trans-71.8169.6175.673.21.4000112T220 V224 L225 Q226T220-D222 PolarHBondContact O-N 2.94Å; D222-V224 PolarHBondContact O-N 3.27Å; D222-V224 PolarHBondContact OD1-N 3.24Å; D222-L225 PolarHBondContact O-N 3.25Å; D222-L225 WeakPolarHBondContact OD1-CB 3.47Å; D222-L225 PolarHBondContact OD1-N 3.46Å; D222-Q226 WeakPolarHBondContact O-CG 3.37Å; D222-Q226 PolarHBondContact O-N 3.21Å
223A94.9Very high96.1Very high77 Ų7754.5 Ų54.564%0.63631%0.313SS*.Hα-helixtrans-61.2-30.4-177.200000112.9A227A223-A227 WeakPolarHBondContact O-CB 3.35Å; A223-A227 PolarHBondContact O-N 2.89Å
224V97.2Very high96.2Very high103 Ų10351.6 Ų51.662%0.62431%0.307SS*.Hα-helixtrans-69.9-48.5178.6178.80000109.9D222 Q226 A227 V228D222-V224 PolarHBondContact O-N 3.27Å; D222-V224 PolarHBondContact OD1-N 3.24Å; V224-Q226 PolarHBondContact O-N 2.94Å; V224-A227 PolarHBondContact O-N 3.46Å; V224-V228 WeakPolarHBondContact O-CG2 3.34Å; V224-V228 PolarHBondContact O-N 3.22Å
225L95.5Very high96.3Very high50 Ų5055.3 Ų55.326%0.26233%0.329SS..Hα-helixtrans-62.6-43.1177.5-176.356.2000111.1I218 P221 D222 A227 V228 I229 I309I218-L225 HydrophobicContact CD1-CD2 4.13Å; I218-L225 HydrophobicContact CG2-CD2 4.3Å; P221-L225 HydrophobicContact CB-CB 4.33Å; P221-L225 HydrophobicContact CB-CD2 3.79Å; P221-L225 HydrophobicContact CB-CG 4.13Å; D222-L225 PolarHBondContact O-N 3.25Å; D222-L225 WeakPolarHBondContact OD1-CB 3.47Å; D222-L225 PolarHBondContact OD1-N 3.46Å; L225-A227 VanDerWaalsContact C-N 3.35Å; L225-A227 PolarHBondContact O-N 2.84Å; L225-V228 PolarHBondContact O-N 2.83Å; L225-I229 WeakPolarHBondContact O-CG1 3.31Å; L225-I229 PolarHBondContact O-N 2.97Å; L225-I309 HydrophobicContact CD1-CG2 4.44Å; L225-I309 HydrophobicContact CD2-CD1 4.45Å; L225-I309 HydrophobicContact CD2-CG2 4.15Å; L225-I309 HydrophobicContact CG-CD1 4.24Å; L225-I309 HydrophobicContact CG-CG2 4.47Å
226Q96.6Very high96.4Very high30 Ų3053.4 Ų53.414%0.1431%0.305CS..Hα-helixtrans-58.6-43.9173.3-73.5-177.1-20.100112.1P221 D222 V224 V228 I229 K230 I247P221-Q226 HydrophobicContact CB-CG 4.13Å; P221-Q226 HydrophobicContact CG-CG 3.98Å; D222-Q226 WeakPolarHBondContact O-CG 3.37Å; D222-Q226 PolarHBondContact O-N 3.21Å; V224-Q226 PolarHBondContact O-N 2.94Å; Q226-V228 PolarHBondContact O-N 3.44Å; Q226-I229 PolarHBondContact O-N 3.44Å; Q226-K230 VanDerWaalsContact O-CB 3.28Å; Q226-K230 WeakPolarHBondContact O-CB 3.43Å; Q226-K230 PolarHBondContact O-N 3.34Å; Q226-I247 HydrophobicContact CB-CG2 4.02Å; Q226-I247 HydrophobicContact CG-CG2 4.41Å
227A96.6Very high96.4Very high58 Ų5855 Ų5548%0.47932%0.322SS..Hα-helixtrans-64.7-37.7177.200000112.7A223 V224 L225 K230 R231A223-A227 WeakPolarHBondContact O-CB 3.35Å; A223-A227 PolarHBondContact O-N 2.89Å; V224-A227 PolarHBondContact O-N 3.46Å; L225-A227 VanDerWaalsContact C-N 3.35Å; L225-A227 PolarHBondContact O-N 2.84Å; A227-K230 PolarHBondContact O-N 3.06Å; A227-R231 PolarHBondContact O-N 3.46Å
228V97.3Very high96.3Very high65 Ų6554.2 Ų54.239%0.39432%0.318SS..Hα-helixtrans-64.6-45.4175.6169.90000111.1V224 L225 Q226 R231 S232 K283V224-V228 WeakPolarHBondContact O-CG2 3.34Å; V224-V228 PolarHBondContact O-N 3.22Å; L225-V228 PolarHBondContact O-N 2.83Å; Q226-V228 PolarHBondContact O-N 3.44Å; V228-R231 PolarHBondContact O-N 3.29Å; V228-S232 PolarHBondContact O-N 3.33Å; V228-S232 VanDerWaalsContact O-N 3.16Å; V228-S232 PolarHBondContact O-OG 3.08Å; V228-K283 HydrophobicContact CG1-CD 4.28Å
229I97.6Very high96.1Very high3 Ų351.9 Ų51.92%0.01531%0.307CS..Hα-helixtrans-65.3-42.8176.7-63-57.7000110.7L225 Q226 R231 S232 L233 I247 I280 K283 A285 V307 I309L225-I229 WeakPolarHBondContact O-CG1 3.31Å; L225-I229 PolarHBondContact O-N 2.97Å; Q226-I229 PolarHBondContact O-N 3.44Å; I229-R231 VanDerWaalsContact C-N 3.28Å; I229-R231 PolarHBondContact O-N 3.23Å; I229-S232 PolarHBondContact O-N 2.94Å; I229-S232 VanDerWaalsContact O-N 3.08Å; I229-L233 HydrophobicContact CG2-CD1 4.34Å; I229-L233 HydrophobicContact CG2-CG 4.43Å; I229-L233 PolarHBondContact O-N 3.23Å; I229-I247 HydrophobicContact CB-CD1 4.06Å; I229-I247 HydrophobicContact CG2-CD1 3.75Å; I229-I280 HydrophobicContact CG2-CD1 3.71Å; I229-K283 HydrophobicContact CD1-CB 4.04Å; I229-K283 HydrophobicContact CD1-CD 4.08Å; I229-K283 HydrophobicContact CD1-CG 3.86Å; I229-A285 HydrophobicContact CD1-CB 3.88Å; I229-V307 HydrophobicContact CG2-CG1 3.92Å; I229-I309 HydrophobicContact CG1-CD1 3.76Å; I229-I309 HydrophobicContact CG1-CG1 4.1Å
230K97.5Very high95.7Very high70 Ų7056.5 Ų56.530%0.30434%0.336SS..Hα-helixtrans-55.3-44.8175.7-173.3174.1-174.5170.70111.6Q226 A227 S232 L233 I234 V243 N244 I247Q226-K230 VanDerWaalsContact O-CB 3.28Å; Q226-K230 WeakPolarHBondContact O-CB 3.43Å; Q226-K230 PolarHBondContact O-N 3.34Å; A227-K230 PolarHBondContact O-N 3.06Å; K230-S232 PolarHBondContact O-N 3.46Å; K230-L233 PolarHBondContact O-N 3.33Å; K230-I234 HydrophobicContact CG-CD1 4.14Å; K230-I234 WeakPolarHBondContact O-CG1 3.46Å; K230-I234 PolarHBondContact O-N 3.4Å; K230-V243 HydrophobicContact CG-CG1 3.84Å; K230-N244 WeakPolarHBondContact CE-OD1 3.49Å; K230-N244 PolarHBondContact NZ-OD1 2.93Å; K230-I247 HydrophobicContact CB-CD1 3.84Å; K230-I247 HydrophobicContact CB-CG1 3.8Å; K230-I247 HydrophobicContact CG-CG1 4.05Å
231R97.3Very high95.4Very high146 Ų14655.1 Ų55.155%0.55133%0.33SS*.Hα-helixtrans-61.6-43.9177.3-176.358.5179.7152.77.6111.6A227 V228 I229 I234 D235A227-R231 PolarHBondContact O-N 3.46Å; V228-R231 PolarHBondContact O-N 3.29Å; I229-R231 VanDerWaalsContact C-N 3.28Å; I229-R231 PolarHBondContact O-N 3.23Å; R231-I234 PolarHBondContact O-N 3.01Å; R231-D235 IonicContact CZ-OD1 3.65Å; R231-D235 IonicContact CZ-OD2 3.13Å; R231-D235 IonicContact NE-OD1 2.86Å; R231-D235 PolarHBondContact NE-OD1 3.1Å; R231-D235 IonicContact NE-OD2 3.38Å; R231-D235 PolarHBondContact NE-OD2 3.29Å; R231-D235 IonicContact NH1-OD1 3.67Å; R231-D235 PolarHBondContact NH1-OD1 3.1Å; R231-D235 VanDerWaalsContact NH1-OD1 3.12Å; R231-D235 IonicContact NH2-OD1 2.78Å; R231-D235 PolarHBondContact NH2-OD1 3.41Å; R231-D235 VanDerWaalsContact NH2-OD1 3.13Å; R231-D235 IonicContact NH2-OD2 3.12Å; R231-D235 WeakPolarHBondContact O-CB 3.26Å; R231-D235 PolarHBondContact O-N 3.06Å
232S97.3Very high95.2Very high17 Ų1755.3 Ų55.312%0.11933%0.33CS..Hα-helixtrans-67.6-33.7177.9-62.60000113.9V228 I229 K230 S236 K283V228-S232 PolarHBondContact O-N 3.33Å; V228-S232 VanDerWaalsContact O-N 3.16Å; V228-S232 PolarHBondContact O-OG 3.08Å; I229-S232 PolarHBondContact O-N 2.94Å; I229-S232 VanDerWaalsContact O-N 3.08Å; K230-S232 PolarHBondContact O-N 3.46Å; S232-S236 WeakPolarHBondContact O-CB 3.36Å; S232-S236 PolarHBondContact O-N 3.18Å; S232-S236 PolarHBondContact O-OG 3.1Å; S232-K283 WeakPolarHBondContact OG-CE 3.41Å
233L96.8Very high95.2Very high1 Ų150.9 Ų50.91%0.00531%0.307CS..Hα-helixtrans-63-48.1170.7-71174.4000110.9W202 I229 K230 D235 S236 G237 C238 L246 I247 I280 V287 V307W202-L233 HydrophobicContact CH2-CD2 4.16Å; W202-L233 HydrophobicContact CZ2-CD2 3.89Å; I229-L233 HydrophobicContact CG2-CD1 4.34Å; I229-L233 HydrophobicContact CG2-CG 4.43Å; I229-L233 PolarHBondContact O-N 3.23Å; K230-L233 PolarHBondContact O-N 3.33Å; L233-D235 PolarHBondContact O-N 3.45Å; L233-S236 PolarHBondContact O-N 2.88Å; L233-S236 VanDerWaalsContact O-N 3.14Å; L233-S236 PolarHBondContact O-OG 3.06Å; L233-G237 PolarHBondContact O-N 3.02Å; L233-C238 HydrophobicContact CB-CB 4.02Å; L233-C238 WeakPolarHBondContact O-CB 3.41Å; L233-C238 PolarHBondContact O-N 3.49Å; L233-C238 VanDerWaalsContact O-N 3.08Å; L233-L246 HydrophobicContact CD1-CB 4.35Å; L233-I247 HydrophobicContact CD1-CD1 3.76Å; L233-I247 HydrophobicContact CD1-CG1 4.08Å; L233-I280 HydrophobicContact CD2-CD1 3.79Å; L233-I280 HydrophobicContact CD2-CG1 4.01Å; L233-I280 HydrophobicContact CG-CD1 4.27Å; L233-V287 HydrophobicContact CD2-CG2 3.75Å; L233-V307 HydrophobicContact CD1-CG2 4.31Å
234I96.2Very high95.1Very high77 Ų7750.8 Ų50.840%0.39530%0.296SS..Hα-helixtrans-59.6-46.3177.1-66.9166.2000110.9K230 R231 S236 G237 V243K230-I234 HydrophobicContact CG-CD1 4.14Å; K230-I234 WeakPolarHBondContact O-CG1 3.46Å; K230-I234 PolarHBondContact O-N 3.4Å; R231-I234 PolarHBondContact O-N 3.01Å; I234-S236 PolarHBondContact O-N 3.18Å; I234-G237 PolarHBondContact O-N 3.21Å; I234-V243 HydrophobicContact CD1-CG1 4.34Å; I234-V243 HydrophobicContact CG1-CG1 3.96Å; I234-V243 HydrophobicContact CG1-CG2 4.34Å
235D96Very high95Very high100 Ų10049.2 Ų49.254%0.53528%0.284SS..Hα-helixtrans-66.8-22.4-179.8-67.3-18.9000112.3R231 L233 G237R231-D235 IonicContact CZ-OD1 3.65Å; R231-D235 IonicContact CZ-OD2 3.13Å; R231-D235 IonicContact NE-OD1 2.86Å; R231-D235 PolarHBondContact NE-OD1 3.1Å; R231-D235 IonicContact NE-OD2 3.38Å; R231-D235 PolarHBondContact NE-OD2 3.29Å; R231-D235 IonicContact NH1-OD1 3.67Å; R231-D235 PolarHBondContact NH1-OD1 3.1Å; R231-D235 VanDerWaalsContact NH1-OD1 3.12Å; R231-D235 IonicContact NH2-OD1 2.78Å; R231-D235 PolarHBondContact NH2-OD1 3.41Å; R231-D235 VanDerWaalsContact NH2-OD1 3.13Å; R231-D235 IonicContact NH2-OD2 3.12Å; R231-D235 WeakPolarHBondContact O-CB 3.26Å; R231-D235 PolarHBondContact O-N 3.06Å; L233-D235 PolarHBondContact O-N 3.45Å; D235-G237 VanDerWaalsContact C-N 3.28Å
236S94.2Very high95.1Very high25 Ų2546.9 Ų46.918%0.17527%0.271CS..THydrogen-bonded Turntrans-81.3-0.5172.376.50000114.4W202 S232 L233 I234W202-S236 VanDerWaalsContact CD1-O 3.31Å; W202-S236 PolarHBondContact NE1-O 2.82Å; W202-S236 PolarHBondContact NE1-OG 3.12Å; W202-S236 VanDerWaalsContact NE1-OG 3.11Å; S232-S236 WeakPolarHBondContact O-CB 3.36Å; S232-S236 PolarHBondContact O-N 3.18Å; S232-S236 PolarHBondContact O-OG 3.1Å; L233-S236 PolarHBondContact O-N 2.88Å; L233-S236 VanDerWaalsContact O-N 3.14Å; L233-S236 PolarHBondContact O-OG 3.06Å; I234-S236 PolarHBondContact O-N 3.18Å
237G94.1Very high95.1Very high52 Ų5246 Ų4654%0.53627%0.268SS..THydrogen-bonded Turntrans84.721-177.900000114.7W202 L233 I234 D235W202-G237 VanDerWaalsContact CD1-C 3.43Å; L233-G237 PolarHBondContact O-N 3.02Å; I234-G237 PolarHBondContact O-N 3.21Å; D235-G237 VanDerWaalsContact C-N 3.28Å
238C94.5Very high95Very high8 Ų848.3 Ų48.35%0.05427%0.268CS..  trans-60.5131.4179.1-172.90000111.4W202 L233 V243W202-C238 HydrophobicContact CD2-CB 4.08Å; W202-C238 VanDerWaalsContact CE2-CA 3.5Å; W202-C238 VanDerWaalsContact CE2-CB 3.49Å; W202-C238 HydrophobicContact CH2-CB 4.06Å; W202-C238 WeakPolarHBondContact CH2-SG 3.37Å; W202-C238 HydrophobicContact CZ2-CB 3.48Å; W202-C238 VanDerWaalsContact CZ2-CB 3.48Å; W202-C238 WeakPolarHBondContact CZ2-SG 3.43Å; L233-C238 HydrophobicContact CB-CB 4.02Å; L233-C238 WeakPolarHBondContact O-CB 3.41Å; L233-C238 PolarHBondContact O-N 3.49Å; L233-C238 VanDerWaalsContact O-N 3.08Å; C238-V243 HydrophobicContact CB-CG2 3.59Å; C238-V243 WeakPolarHBondContact SG-CG2 3.24Å
239P93.4Very high95Very high7 Ų745.9 Ų45.95%0.04525%0.253CS..  trans-57.3130.7-178-26.934.2000112.3E198 I199 W202 S241 I242 V243E198-P239 HydrophobicContact CB-CG 4.4Å; I199-P239 HydrophobicContact CG1-CB 4.45Å; I199-P239 HydrophobicContact CG1-CG 4.03Å; W202-P239 HydrophobicContact CB-CG 4.31Å; P239-S241 PolarHBondContact O-N 2.81Å; P239-I242 HydrophobicContact CB-CG1 4.25Å; P239-I242 PolarHBondContact O-N 3.42Å; P239-V243 WeakPolarHBondContact O-CG2 3.39Å; P239-V243 PolarHBondContact O-N 3.45Å
240P88.2Confident95Very high115 Ų11545.7 Ų45.775%0.74725%0.253SS*.THydrogen-bonded Turntrans-58.1-22.4-177.5-25.734.1000114.6
241S88.7Confident94.9Very high49 Ų4944 Ų4434%0.34325%0.246SC..THydrogen-bonded Turntrans-62.8-36.8176.548.50000112.7P239P239-S241 PolarHBondContact O-N 2.81Å
242I93.7Very high94.8Very high10 Ų1039.8 Ų39.85%0.05123%0.232CC..THydrogen-bonded Turntrans-110.4-13.3-171.763.5164.7000115.1I199 W202 P239 N244 D245 L246 M289 P304I199-I242 HydrophobicContact CD1-CD1 4.28Å; I199-I242 HydrophobicContact CD1-CG2 3.72Å; I199-I242 HydrophobicContact CG1-CD1 3.92Å; I199-I242 HydrophobicContact CG1-CG2 4.34Å; I199-I242 HydrophobicContact CG2-CD1 4.12Å; W202-I242 HydrophobicContact CE3-CD1 4.15Å; W202-I242 HydrophobicContact CZ3-CD1 3.81Å; P239-I242 HydrophobicContact CB-CG1 4.25Å; P239-I242 PolarHBondContact O-N 3.42Å; I242-N244 VanDerWaalsContact C-N 3.29Å; I242-N244 PolarHBondContact O-N 2.94Å; I242-D245 PolarHBondContact O-N 2.92Å; I242-L246 HydrophobicContact CD1-CD1 3.99Å; I242-L246 HydrophobicContact CG1-CD1 4.31Å; I242-L246 WeakPolarHBondContact O-CG 3.3Å; I242-L246 PolarHBondContact O-N 3.28Å; I242-M289 HydrophobicContact CD1-CE 3.96Å; I242-P304 HydrophobicContact CB-CB 4.22Å; I242-P304 HydrophobicContact CB-CG 3.75Å; I242-P304 HydrophobicContact CG2-CB 3.84Å; I242-P304 HydrophobicContact CG2-CG 3.79Å
243V95.7Very high94.7Very high5 Ų546.8 Ų46.83%0.0326%0.256CS..Hα-helixtrans-56.2-40.3-174.8167.50000113K230 I234 C238 P239 I247K230-V243 HydrophobicContact CG-CG1 3.84Å; I234-V243 HydrophobicContact CD1-CG1 4.34Å; I234-V243 HydrophobicContact CG1-CG1 3.96Å; I234-V243 HydrophobicContact CG1-CG2 4.34Å; C238-V243 HydrophobicContact CB-CG2 3.59Å; C238-V243 WeakPolarHBondContact SG-CG2 3.24Å; P239-V243 WeakPolarHBondContact O-CG2 3.39Å; P239-V243 PolarHBondContact O-N 3.45Å; V243-I247 VanDerWaalsContact O-CG1 3.28Å; V243-I247 WeakPolarHBondContact O-CG1 3.31Å; V243-I247 PolarHBondContact O-N 2.6Å
244N93.4Very high94.6Very high76 Ų7649.6 Ų49.641%0.40627%0.271SS..Hα-helixtrans-70.6-45.4-178.6-65.8-42.8000110.8K230 I242 L246 I247 E248K230-N244 WeakPolarHBondContact CE-OD1 3.49Å; K230-N244 PolarHBondContact NZ-OD1 2.93Å; I242-N244 VanDerWaalsContact C-N 3.29Å; I242-N244 PolarHBondContact O-N 2.94Å; N244-L246 VanDerWaalsContact C-N 3.34Å; N244-L246 PolarHBondContact O-N 2.79Å; N244-I247 PolarHBondContact O-N 2.86Å; N244-I247 VanDerWaalsContact O-N 3.08Å; N244-E248 WeakPolarHBondContact O-CG 3.43Å; N244-E248 PolarHBondContact O-N 2.89Å
245D95Very high94.5Very high70 Ų7046.6 Ų46.637%0.37426%0.255SS..Hα-helixtrans-62.1-43-179.5-57.2-12.9000110.9I242 I247 E248 N249 P304I242-D245 PolarHBondContact O-N 2.92Å; D245-I247 VanDerWaalsContact C-N 3.27Å; D245-I247 PolarHBondContact O-N 3.34Å; D245-E248 PolarHBondContact O-N 3.29Å; D245-N249 VanDerWaalsContact O-CB 3.24Å; D245-N249 WeakPolarHBondContact O-CB 3.34Å; D245-N249 PolarHBondContact O-N 3.45Å; D245-N249 PolarHBondContact O-ND2 3.08Å; D245-N249 PolarHBondContact O-OD1 2.87Å; D245-P304 HydrophobicContact CB-CG 4.09Å
246L96.8Very high94.5Very high0 Ų042.6 Ų42.60%023%0.234CC..Hα-helixtrans-58.7-37.4174.3-73.2-178000112.9W202 L233 I242 N244 N249 A250 V287 M289 P304 V307W202-L246 HydrophobicContact CH2-CD1 3.77Å; W202-L246 HydrophobicContact CZ3-CD1 4.02Å; L233-L246 HydrophobicContact CD1-CB 4.35Å; I242-L246 HydrophobicContact CD1-CD1 3.99Å; I242-L246 HydrophobicContact CG1-CD1 4.31Å; I242-L246 WeakPolarHBondContact O-CG 3.3Å; I242-L246 PolarHBondContact O-N 3.28Å; N244-L246 VanDerWaalsContact C-N 3.34Å; N244-L246 PolarHBondContact O-N 2.79Å; L246-N249 CarbonylContact O-C 3.52Å; L246-N249 PolarHBondContact O-N 2.88Å; L246-A250 PolarHBondContact O-N 3Å; L246-V287 HydrophobicContact CD1-CG1 4.33Å; L246-V287 HydrophobicContact CD2-CG1 4.29Å; L246-M289 HydrophobicContact CD1-SD 4.47Å; L246-M289 HydrophobicContact CD2-SD 4.15Å; L246-P304 HydrophobicContact CD2-CG 4.25Å; L246-P304 HydrophobicContact CG-CG 4.44Å; L246-V307 HydrophobicContact CB-CG2 3.91Å; L246-V307 VanDerWaalsContact O-CG2 3.26Å; L246-V307 WeakPolarHBondContact O-CG2 3.44Å
247I97.1Very high94.5Very high13 Ų1344.8 Ų44.87%0.06725%0.254CS..Hα-helixtrans-76.6-35.5178.5-67.8-67000111.7Q226 I229 K230 L233 V243 N244 D245 N249 A250Q226-I247 HydrophobicContact CB-CG2 4.02Å; Q226-I247 HydrophobicContact CG-CG2 4.41Å; I229-I247 HydrophobicContact CB-CD1 4.06Å; I229-I247 HydrophobicContact CG2-CD1 3.75Å; K230-I247 HydrophobicContact CB-CD1 3.84Å; K230-I247 HydrophobicContact CB-CG1 3.8Å; K230-I247 HydrophobicContact CG-CG1 4.05Å; L233-I247 HydrophobicContact CD1-CD1 3.76Å; L233-I247 HydrophobicContact CD1-CG1 4.08Å; V243-I247 VanDerWaalsContact O-CG1 3.28Å; V243-I247 WeakPolarHBondContact O-CG1 3.31Å; V243-I247 PolarHBondContact O-N 2.6Å; N244-I247 PolarHBondContact O-N 2.86Å; N244-I247 VanDerWaalsContact O-N 3.08Å; D245-I247 VanDerWaalsContact C-N 3.27Å; D245-I247 PolarHBondContact O-N 3.34Å; I247-N249 VanDerWaalsContact C-N 3.25Å; I247-N249 PolarHBondContact O-N 2.85Å; I247-A250 WeakPolarHBondContact O-CB 3.43Å; I247-A250 PolarHBondContact O-N 3.39Å; I247-A250 VanDerWaalsContact O-N 3.14Å
248E94.9Very high94.5Very high105 Ų10542.3 Ų42.349%0.49123%0.229SC..Hα-helixtrans-62.3-39.1170.1-71.4-173.8-173.100110.9N244 D245 A250 N254N244-E248 WeakPolarHBondContact O-CG 3.43Å; N244-E248 PolarHBondContact O-N 2.89Å; D245-E248 PolarHBondContact O-N 3.29Å; E248-A250 PolarHBondContact O-N 3.19Å; E248-N254 WeakPolarHBondContact O-CB 3.4Å; E248-N254 PolarHBondContact O-ND2 3.07Å
249N96.8Very high94.5Very high14 Ų1442 Ų428%0.07523%0.226CC..THydrogen-bonded Turntrans-76.78.2175.3-65.9-7.9000113.5D245 L246 I247 H251 W255 L302 E303 G305 L306D245-N249 VanDerWaalsContact O-CB 3.24Å; D245-N249 WeakPolarHBondContact O-CB 3.34Å; D245-N249 PolarHBondContact O-N 3.45Å; D245-N249 PolarHBondContact O-ND2 3.08Å; D245-N249 PolarHBondContact O-OD1 2.87Å; L246-N249 CarbonylContact O-C 3.52Å; L246-N249 PolarHBondContact O-N 2.88Å; I247-N249 VanDerWaalsContact C-N 3.25Å; I247-N249 PolarHBondContact O-N 2.85Å; N249-H251 VanDerWaalsContact C-N 3.35Å; N249-W255 PolarHBondContact O-NE1 3.38Å; N249-L302 HydrophobicContact CB-CD2 4.22Å; N249-L302 WeakPolarHBondContact ND2-CD2 3.41Å; N249-L302 WeakPolarHBondContact OD1-CD2 3.48Å; N249-E303 PolarHBondContact ND2-O 3.18Å; N249-G305 WeakPolarHBondContact CB-O 3.5Å; N249-G305 PolarHBondContact ND2-O 3.48Å; N249-L306 HydrophobicContact CB-CD2 4.25Å
250A96.8Very high94.5Very high0 Ų043.1 Ų43.10%024%0.236CC..THydrogen-bonded Turntrans-85.8-6.217400000113.9P221 L246 I247 E248 V307 I309P221-A250 WeakPolarHBondContact CG-O 3.49Å; L246-A250 PolarHBondContact O-N 3Å; I247-A250 WeakPolarHBondContact O-CB 3.43Å; I247-A250 PolarHBondContact O-N 3.39Å; I247-A250 VanDerWaalsContact O-N 3.14Å; E248-A250 PolarHBondContact O-N 3.19Å; A250-V307 VanDerWaalsContact CA-O 3.31Å; A250-V307 WeakPolarHBondContact CA-O 3.23Å; A250-V307 HydrophobicContact CB-CB 3.85Å; A250-V307 HydrophobicContact CB-CG1 4.08Å; A250-I309 HydrophobicContact CB-CD1 4.42Å
251H96.4Very high94.7Very high35 Ų3540.8 Ų40.816%0.16222%0.22CC..SBendtrans-123.6141-172.4-170.9-48.2000110.8P221 N249 R253 N254 W255P221-H251 HydrophobicContact CG-CB 4.45Å; N249-H251 VanDerWaalsContact C-N 3.35Å; H251-R253 HydrophobicContact CB-CG 4.18Å; H251-R253 PolarHBondContact ND1-N 3.05Å; H251-R253 PolarHBondContact O-N 2.91Å; H251-N254 PolarHBondContact O-N 3.17Å; H251-W255 PolarHBondContact O-N 2.9Å
252E95.3Very high95Very high57 Ų5743.7 Ų43.727%0.26623%0.231SC..G310 helixtrans-55.5-22-17668.6-177.8-167.900116S219 T220 N254 W255 R265S219-E252 WeakPolarHBondContact CB-OE2 3.35Å; S219-E252 WeakPolarHBondContact O-CG 3.33Å; S219-E252 PolarHBondContact O-N 3.13Å; S219-E252 PolarHBondContact OG-OE2 2.85Å; T220-E252 HydrophobicContact CG2-CG 3.98Å; T220-E252 VanDerWaalsContact CG2-OE1 3.31Å; T220-E252 WeakPolarHBondContact CG2-OE1 3.32Å; E252-N254 PolarHBondContact O-N 2.81Å; E252-W255 HydrophobicContact CB-CD2 4.19Å; E252-W255 HydrophobicContact CB-CE3 3.64Å; E252-W255 HydrophobicContact CB-CZ3 4.05Å; E252-W255 PolarHBondContact O-N 2.88Å; E252-R265 IonicContact OE2-CZ 3.63Å; E252-R265 IonicContact OE2-NH1 3.04Å; E252-R265 PolarHBondContact OE2-NH1 3.46Å; E252-R265 VanDerWaalsContact OE2-NH1 3.13Å; E252-R265 IonicContact OE2-NH2 2.84Å; E252-R265 PolarHBondContact OE2-NH2 3.28Å
253R94.2Very high95Very high163 Ų16350.8 Ų50.862%0.61526%0.264SS*.G310 helixtrans-62.5-25.3175.869.2-174.1-178.8-175-2.3112.9H251H251-R253 HydrophobicContact CB-CG 4.18Å; H251-R253 PolarHBondContact ND1-N 3.05Å; H251-R253 PolarHBondContact O-N 2.91Å
254N94.4Very high95Very high60 Ų6052 Ų5232%0.32127%0.271SS..G310 helixtrans-115.43.1-178.3-66.8-26.7000111.7E248 H251 E252 L302E248-N254 WeakPolarHBondContact O-CB 3.4Å; E248-N254 PolarHBondContact O-ND2 3.07Å; H251-N254 PolarHBondContact O-N 3.17Å; E252-N254 PolarHBondContact O-N 2.81Å; N254-L302 WeakPolarHBondContact O-CD2 3.31Å
255W95.8Very high95.1Very high14 Ų1449.9 Ų49.95%0.05326%0.258CS..SBendtrans-75.8151.4178.7-77-9.5000111.9M217 S219 N249 H251 E252 L259M217-W255 HydrophobicContact CG-CH2 3.84Å; M217-W255 HydrophobicContact SD-CH2 3.33Å; M217-W255 WeakPolarHBondContact SD-CH2 3.33Å; M217-W255 HydrophobicContact SD-CZ2 4.22Å; M217-W255 HydrophobicContact SD-CZ3 3.68Å; S219-W255 VanDerWaalsContact CB-CZ3 3.49Å; N249-W255 PolarHBondContact O-NE1 3.38Å; H251-W255 PolarHBondContact O-N 2.9Å; E252-W255 HydrophobicContact CB-CD2 4.19Å; E252-W255 HydrophobicContact CB-CE3 3.64Å; E252-W255 HydrophobicContact CB-CZ3 4.05Å; E252-W255 PolarHBondContact O-N 2.88Å; W255-L259 HydrophobicContact CB-CB 3.9Å; W255-L259 HydrophobicContact CD2-CB 4.21Å; W255-L259 HydrophobicContact CE3-CB 3.97Å; W255-L259 HydrophobicContact CG-CB 4.24Å
256P95.5Very high95Very high16 Ų1652.9 Ų52.910%0.10427%0.27CS..  trans-69164.6176.734.6-40000110.4G258 L259 A260 D299 L306P256-G258 PolarHBondContact O-N 3.01Å; P256-L259 HydrophobicContact CG-CD1 4.03Å; P256-L259 PolarHBondContact O-N 3.4Å; P256-A260 PolarHBondContact O-N 3.4Å; P256-D299 VanDerWaalsContact CB-O 3.27Å; P256-D299 WeakPolarHBondContact CB-O 3.44Å; P256-L306 HydrophobicContact CG-CD1 4.22Å
257A94.4Very high94.9Very high71 Ų7159.9 Ų59.959%0.58730%0.304SS*.Hα-helixtrans-55.2-33.8-168.600000113.5L259 T264 D299A257-L259 PolarHBondContact O-N 2.89Å; A257-T264 WeakPolarHBondContact O-CG2 3.29Å; A257-D299 HydrophobicContact CB-CB 4.46Å
258G93.9Very high94.8Very high1 Ų160.5 Ų60.51%0.0131%0.308CS..Hα-helixtrans-68.1-6.6177.300000115.7P256 T264 N268 Y272 D299P256-G258 PolarHBondContact O-N 3.01Å; G258-T264 WeakPolarHBondContact O-CG2 3.14Å; G258-N268 PolarHBondContact O-ND2 3.23Å; G258-N268 VanDerWaalsContact O-ND2 3.08Å; G258-Y272 PolarHBondContact O-OH 3.17Å; G258-D299 VanDerWaalsContact CA-O 3.3Å; G258-D299 WeakPolarHBondContact CA-O 3.46Å; G258-D299 PolarHBondContact N-O 3.48Å
259L94.6Very high94.6Very high0 Ų062.2 Ų62.20%031%0.309CS..Hα-helixtrans-130.5-18.8-179.5-76162000113.6M217 W255 P256 A257 T261 R265 Y272 Y275 L306 M308M217-L259 HydrophobicContact CE-CD2 4.44Å; W255-L259 HydrophobicContact CB-CB 3.9Å; W255-L259 HydrophobicContact CD2-CB 4.21Å; W255-L259 HydrophobicContact CE3-CB 3.97Å; W255-L259 HydrophobicContact CG-CB 4.24Å; P256-L259 HydrophobicContact CG-CD1 4.03Å; P256-L259 PolarHBondContact O-N 3.4Å; A257-L259 PolarHBondContact O-N 2.89Å; L259-T261 VanDerWaalsContact C-N 3.35Å; L259-T261 PolarHBondContact O-N 3.46Å; L259-R265 WeakPolarHBondContact O-CD 3.4Å; L259-R265 VanDerWaalsContact O-CG 3.28Å; L259-R265 WeakPolarHBondContact O-CG 3.37Å; L259-R265 PolarHBondContact O-NH1 2.89Å; L259-Y272 HydrophobicContact CD2-CD1 4.31Å; L259-Y272 HydrophobicContact CD2-CE1 3.5Å; L259-Y272 HydrophobicContact CD2-CE2 4.19Å; L259-Y272 VanDerWaalsContact CD2-CZ 3.43Å; L259-Y272 WeakPolarHBondContact CD2-OH 2.87Å; L259-Y272 HydrophobicContact CG-CE1 4.12Å; L259-Y275 WeakPolarHBondContact CD1-OH 3.24Å; L259-L306 HydrophobicContact CD1-CD1 3.88Å; L259-M308 HydrophobicContact CD1-CE 3.59Å; L259-M308 HydrophobicContact CD2-CE 4.12Å
260A92Very high94.4Very high31 Ų3171.7 Ų71.726%0.25634%0.344SS..Hα-helixtrans-59.4-36.5-166.600000114.8P256 R265P256-A260 PolarHBondContact O-N 3.4Å; A260-R265 PolarHBondContact O-NH1 3.16Å
261T94.4Very high94.3Very high67 Ų6776 Ų7641%0.41136%0.361SS..SBendtrans-115156.2-175.783.10000113L259 E263 T264 R265L259-T261 VanDerWaalsContact C-N 3.35Å; L259-T261 PolarHBondContact O-N 3.46Å; T261-E263 VanDerWaalsContact C-N 3.29Å; T261-E263 PolarHBondContact O-N 2.96Å; T261-T264 PolarHBondContact O-N 2.84Å; T261-T264 PolarHBondContact OG1-N 2.91Å; T261-T264 VanDerWaalsContact OG1-N 3.12Å; T261-T264 PolarHBondContact OG1-OG1 3.18Å; T261-R265 WeakPolarHBondContact O-CG 3.45Å; T261-R265 PolarHBondContact O-N 2.88Å
262L93.4Very high94.2Very high110 Ų11074.5 Ų74.558%0.57635%0.354SS*.Hα-helixtrans-59-40.2175.7179.862.9000112.4R265 Q266L262-R265 PolarHBondContact O-N 2.96Å; L262-Q266 WeakPolarHBondContact O-CG 3.4Å; L262-Q266 PolarHBondContact O-N 3.27Å
263E94.8Very high94.2Very high158 Ų15878.3 Ų78.374%0.73837%0.372SS*.Hα-helixtrans-63.2-48.3178.5-175.9175.4-171.900110.8T261 R265 Q266 M267T261-E263 VanDerWaalsContact C-N 3.29Å; T261-E263 PolarHBondContact O-N 2.96Å; E263-R265 VanDerWaalsContact C-N 3.27Å; E263-R265 PolarHBondContact O-N 3.14Å; E263-Q266 PolarHBondContact O-N 3.4Å; E263-Q266 VanDerWaalsContact O-N 3.14Å; E263-M267 PolarHBondContact O-N 3.32Å
264T94.6Very high94.2Very high30 Ų3074.5 Ų74.518%0.18436%0.364CS..Hα-helixtrans-60-40175.9-41.90000111.3A257 G258 T261 Q266 M267 N268A257-T264 WeakPolarHBondContact O-CG2 3.29Å; G258-T264 WeakPolarHBondContact O-CG2 3.14Å; T261-T264 PolarHBondContact O-N 2.84Å; T261-T264 PolarHBondContact OG1-N 2.91Å; T261-T264 VanDerWaalsContact OG1-N 3.12Å; T261-T264 PolarHBondContact OG1-OG1 3.18Å; T264-Q266 VanDerWaalsContact C-N 3.34Å; T264-Q266 PolarHBondContact O-N 3.24Å; T264-M267 HydrophobicContact CG2-CE 4.44Å; T264-M267 PolarHBondContact O-N 3.35Å; T264-N268 WeakPolarHBondContact O-CB 2.99Å; T264-N268 PolarHBondContact O-N 3.39Å
265R95.3Very high94.4Very high33 Ų3372.5 Ų72.513%0.12535%0.352CS..Hα-helixtrans-64.3-34.7176.9-69.7-171.8-62-95.210.2114.2S219 E252 L259 A260 T261 L262 E263 R269 Y272S219-R265 PolarHBondContact OG-NH2 3.07Å; E252-R265 IonicContact OE2-CZ 3.63Å; E252-R265 IonicContact OE2-NH1 3.04Å; E252-R265 PolarHBondContact OE2-NH1 3.46Å; E252-R265 VanDerWaalsContact OE2-NH1 3.13Å; E252-R265 IonicContact OE2-NH2 2.84Å; E252-R265 PolarHBondContact OE2-NH2 3.28Å; L259-R265 WeakPolarHBondContact O-CD 3.4Å; L259-R265 VanDerWaalsContact O-CG 3.28Å; L259-R265 WeakPolarHBondContact O-CG 3.37Å; L259-R265 PolarHBondContact O-NH1 2.89Å; A260-R265 PolarHBondContact O-NH1 3.16Å; T261-R265 WeakPolarHBondContact O-CG 3.45Å; T261-R265 PolarHBondContact O-N 2.88Å; L262-R265 PolarHBondContact O-N 2.96Å; E263-R265 VanDerWaalsContact C-N 3.27Å; E263-R265 PolarHBondContact O-N 3.14Å; R265-R269 PolarHBondContact O-N 2.94Å; R265-Y272 VanDerWaalsContact CA-OH 3.24Å; R265-Y272 WeakPolarHBondContact CA-OH 3.37Å; R265-Y272 HydrophobicContact CB-CE2 4.4Å; R265-Y272 WeakPolarHBondContact CG-OH 3.41Å
266Q92.8Very high94.4Very high133 Ų13374.6 Ų74.662%0.62137%0.366SS*.Hα-helixtrans-71.6-41.5175-71.2178.511.900111.4L262 E263 T264 R269L262-Q266 WeakPolarHBondContact O-CG 3.4Å; L262-Q266 PolarHBondContact O-N 3.27Å; E263-Q266 PolarHBondContact O-N 3.4Å; E263-Q266 VanDerWaalsContact O-N 3.14Å; T264-Q266 VanDerWaalsContact C-N 3.34Å; T264-Q266 PolarHBondContact O-N 3.24Å; Q266-R269 WeakPolarHBondContact O-CB 3.22Å
267M94.8Very high94.5Very high147 Ų14774.3 Ų74.372%0.72437%0.365SS*.Hα-helixtrans-64.9-45.7178.4-173.3174.467.900112.1E263 T264 R269E263-M267 PolarHBondContact O-N 3.32Å; T264-M267 HydrophobicContact CG2-CE 4.44Å; T264-M267 PolarHBondContact O-N 3.35Å; M267-R269 VanDerWaalsContact C-N 3.31Å; M267-R269 PolarHBondContact O-N 3.42Å
268N94.9Very high94.6Very high26 Ų2672 Ų7214%0.13934%0.341CS..THydrogen-bonded Turntrans-86.95.2-175.8-71-12000113.9G258 T264 R270 Y271 Y272G258-N268 PolarHBondContact O-ND2 3.23Å; G258-N268 VanDerWaalsContact O-ND2 3.08Å; T264-N268 WeakPolarHBondContact O-CB 2.99Å; T264-N268 PolarHBondContact O-N 3.39Å; N268-R270 VanDerWaalsContact C-N 3.27Å; N268-R270 PolarHBondContact O-N 3.34Å; N268-R270 VanDerWaalsContact O-N 3.1Å; N268-Y271 WeakPolarHBondContact O-CA 3.46Å; N268-Y271 VanDerWaalsContact O-CB 3.32Å; N268-Y271 WeakPolarHBondContact O-CB 3.42Å; N268-Y271 PolarHBondContact O-N 3.44Å; N268-Y272 HydrophobicContact CB-CD1 4.4Å; N268-Y272 HydrophobicContact CB-CE1 3.67Å; N268-Y272 HydrophobicContact CB-CE2 4.41Å; N268-Y272 PolarHBondContact O-N 2.98Å
269R92.1Very high94.8Very high140 Ų14073.9 Ų73.953%0.52835%0.348SS..THydrogen-bonded Turntrans-51-42-173.1-179.2177.2175.8173.30.4114.3W214 R265 Q266 M267W214-R269 HydrophobicContact CB-CG 4.22Å; R265-R269 PolarHBondContact O-N 2.94Å; Q266-R269 WeakPolarHBondContact O-CB 3.22Å; M267-R269 VanDerWaalsContact C-N 3.31Å; M267-R269 PolarHBondContact O-N 3.42Å
270R91.9Very high94.9Very high213 Ų21373.9 Ų73.980%0.80435%0.348SS*.THydrogen-bonded Turntrans-74.5-29.2178.2-67.9-174.7179.5-179.10112.2N268 Y272 E273N268-R270 VanDerWaalsContact C-N 3.27Å; N268-R270 PolarHBondContact O-N 3.34Å; N268-R270 VanDerWaalsContact O-N 3.1Å; R270-Y272 VanDerWaalsContact C-N 3.29Å; R270-Y272 PolarHBondContact O-N 3.32Å; R270-E273 WeakPolarHBondContact O-CB 3.2Å; R270-E273 PolarHBondContact O-N 2.93Å
271Y94.8Very high95Very high90 Ų9075.5 Ų75.535%0.35336%0.356SS..G310 helixtrans-71.9-27.6-178.7-165.6-127.7000112N268 E273 N274 M296 M300N268-Y271 WeakPolarHBondContact O-CA 3.46Å; N268-Y271 VanDerWaalsContact O-CB 3.32Å; N268-Y271 WeakPolarHBondContact O-CB 3.42Å; N268-Y271 PolarHBondContact O-N 3.44Å; Y271-E273 PolarHBondContact O-N 2.98Å; Y271-N274 VanDerWaalsContact CD2-ND2 3.25Å; Y271-N274 WeakPolarHBondContact CD2-ND2 3.37Å; Y271-N274 WeakPolarHBondContact CE2-ND2 3.09Å; Y271-N274 WeakPolarHBondContact O-CB 3.3Å; Y271-N274 PolarHBondContact O-N 3.43Å; Y271-N274 VanDerWaalsContact O-N 3.1Å; Y271-N274 PolarHBondContact O-ND2 2.61Å; Y271-M296 HydrophobicContact CD1-CE 4.09Å; Y271-M296 HydrophobicContact CE1-CE 3.82Å; Y271-M300 HydrophobicContact CD1-CE 3.45Å; Y271-M300 VanDerWaalsContact CD1-CE 3.45Å; Y271-M300 HydrophobicContact CD1-CG 4.27Å; Y271-M300 HydrophobicContact CD1-SD 4.17Å; Y271-M300 HydrophobicContact CE1-CE 3.97Å; Y271-M300 HydrophobicContact CE1-CG 3.93Å; Y271-M300 HydrophobicContact CE1-SD 4.44Å; Y271-M300 HydrophobicContact CG-CE 4.48Å
272Y95.2Very high95Very high4 Ų475.1 Ų75.12%0.01637%0.366CS..G310 helixtrans-61.6-23.3175.1-57.6-29.7000114.2W214 G258 L259 R265 N268 R270 N274 Y275 M300W214-Y272 HydrophobicContact CB-CD2 4.38Å; W214-Y272 VanDerWaalsContact CD2-CB 3.49Å; W214-Y272 HydrophobicContact CD2-CD2 4.15Å; W214-Y272 HydrophobicContact CD2-CG 4.27Å; W214-Y272 AromaticContact CE3-CD2 3.88Å; W214-Y272 HydrophobicContact CE3-CD2 3.88Å; W214-Y272 HydrophobicContact CE3-CG 4Å; W214-Y272 HydrophobicContact CG-CD2 4.38Å; W214-Y272 WeakPolarHBondContact CH2-O 3.37Å; W214-Y272 VanDerWaalsContact CZ2-C 3.48Å; W214-Y272 WeakPolarHBondContact CZ2-O 3.24Å; W214-Y272 HydrophobicContact CZ3-CG 4.27Å; G258-Y272 PolarHBondContact O-OH 3.17Å; L259-Y272 HydrophobicContact CD2-CD1 4.31Å; L259-Y272 HydrophobicContact CD2-CE1 3.5Å; L259-Y272 HydrophobicContact CD2-CE2 4.19Å; L259-Y272 VanDerWaalsContact CD2-CZ 3.43Å; L259-Y272 WeakPolarHBondContact CD2-OH 2.87Å; L259-Y272 HydrophobicContact CG-CE1 4.12Å; R265-Y272 VanDerWaalsContact CA-OH 3.24Å; R265-Y272 WeakPolarHBondContact CA-OH 3.37Å; R265-Y272 HydrophobicContact CB-CE2 4.4Å; R265-Y272 WeakPolarHBondContact CG-OH 3.41Å; N268-Y272 HydrophobicContact CB-CD1 4.4Å; N268-Y272 HydrophobicContact CB-CE1 3.67Å; N268-Y272 HydrophobicContact CB-CE2 4.41Å; N268-Y272 PolarHBondContact O-N 2.98Å; R270-Y272 VanDerWaalsContact C-N 3.29Å; R270-Y272 PolarHBondContact O-N 3.32Å; Y272-N274 PolarHBondContact O-N 2.83Å; Y272-N274 VanDerWaalsContact O-N 3.1Å; Y272-Y275 HydrophobicContact CD1-CD2 4.21Å; Y272-Y275 AromaticContact CD1-CE2 3.52Å; Y272-Y275 HydrophobicContact CD1-CE2 3.52Å; Y272-Y275 HydrophobicContact CE1-CE2 4.26Å; Y272-Y275 HydrophobicContact CG-CE2 4.18Å; Y272-Y275 WeakPolarHBondContact O-CB 3.41Å; Y272-Y275 VanDerWaalsContact O-CD2 3.31Å; Y272-Y275 WeakPolarHBondContact O-CD2 3.34Å; Y272-Y275 PolarHBondContact O-N 3.09Å; Y272-M300 HydrophobicContact CD1-CE 3.42Å; Y272-M300 VanDerWaalsContact CD1-CE 3.42Å; Y272-M300 HydrophobicContact CE1-CE 3.3Å; Y272-M300 HydrophobicContact CE1-SD 4.2Å
273E93.4Very high95.1Very high138 Ų13873 Ų7365%0.64535%0.352SS*.G310 helixtrans-62.2-17.4175.2-63.5177.8-172.400112.9R270 Y271R270-E273 WeakPolarHBondContact O-CB 3.2Å; R270-E273 PolarHBondContact O-N 2.93Å; Y271-E273 PolarHBondContact O-N 2.98Å
274N95.9Very high95.3Very high83 Ų8368.5 Ų68.544%0.44433%0.331SS..G310 helixtrans-84.3-5.9177-59.7-43.4000113.8Y271 Y272 H295 M296Y271-N274 VanDerWaalsContact CD2-ND2 3.25Å; Y271-N274 WeakPolarHBondContact CD2-ND2 3.37Å; Y271-N274 WeakPolarHBondContact CE2-ND2 3.09Å; Y271-N274 WeakPolarHBondContact O-CB 3.3Å; Y271-N274 PolarHBondContact O-N 3.43Å; Y271-N274 VanDerWaalsContact O-N 3.1Å; Y271-N274 PolarHBondContact O-ND2 2.61Å; Y272-N274 PolarHBondContact O-N 2.83Å; Y272-N274 VanDerWaalsContact O-N 3.1Å; N274-H295 PolarHBondContact O-NE2 3.43Å; N274-M296 HydrophobicContact CB-CE 4.19Å; N274-M296 HydrophobicContact CB-SD 3.63Å
275Y97.4Very high95.4Very high18 Ų1867.1 Ų67.17%0.07132%0.322CS..  trans-67.2135.3176.4-79-58.3000111.7W214 L259 Y272 A277 V288 M296 M300 M308W214-Y275 AromaticContact CH2-CD2 3.87Å; W214-Y275 HydrophobicContact CH2-CD2 3.87Å; W214-Y275 HydrophobicContact CZ3-CD2 4.29Å; L259-Y275 WeakPolarHBondContact CD1-OH 3.24Å; Y272-Y275 HydrophobicContact CD1-CD2 4.21Å; Y272-Y275 AromaticContact CD1-CE2 3.52Å; Y272-Y275 HydrophobicContact CD1-CE2 3.52Å; Y272-Y275 HydrophobicContact CE1-CE2 4.26Å; Y272-Y275 HydrophobicContact CG-CE2 4.18Å; Y272-Y275 WeakPolarHBondContact O-CB 3.41Å; Y272-Y275 VanDerWaalsContact O-CD2 3.31Å; Y272-Y275 WeakPolarHBondContact O-CD2 3.34Å; Y272-Y275 PolarHBondContact O-N 3.09Å; Y275-A277 PolarHBondContact O-N 3.14Å; Y275-V288 HydrophobicContact CD1-CG1 3.4Å; Y275-V288 HydrophobicContact CE1-CG1 3.76Å; Y275-V288 HydrophobicContact CG-CG1 4.07Å; Y275-V288 HydrophobicContact CG-CG2 4.43Å; Y275-M296 HydrophobicContact CD1-CE 3.75Å; Y275-M296 HydrophobicContact CD1-CG 3.93Å; Y275-M296 HydrophobicContact CD1-SD 4.34Å; Y275-M296 HydrophobicContact CD2-CE 4.34Å; Y275-M296 HydrophobicContact CE1-CE 3.69Å; Y275-M296 HydrophobicContact CE1-CG 4.06Å; Y275-M296 HydrophobicContact CE2-CE 4.28Å; Y275-M296 HydrophobicContact CG-CE 4.09Å; Y275-M300 HydrophobicContact CE1-CB 4.46Å; Y275-M300 WeakPolarHBondContact CE1-O 3.41Å; Y275-M300 HydrophobicContact CE2-CE 4.05Å; Y275-M300 WeakPolarHBondContact OH-CE 3.36Å; Y275-M300 PolarHBondContact OH-O 2.93Å; Y275-M308 HydrophobicContact CD2-CE 4.4Å; Y275-M308 HydrophobicContact CE2-CE 3.85Å
276V96.4Very high95.5Very high58 Ų5865.5 Ų65.535%0.35232%0.316SS..  trans-82.8106.4162.2-179.60000107.3E292 N293V276-E292 HydrophobicContact CB-CB 4.35Å; V276-E292 HydrophobicContact CG1-CB 4.08Å; V276-N293 PolarHBondContact N-OD1 2.96Å; V276-N293 PolarHBondContact O-ND2 3.29Å
277A96.8Very high95.8Very high9 Ų959.2 Ų59.27%0.07429%0.287CS..EExtended strand (participates in β ladder)trans-113.4137.5-175.400000111.1A209 Y275 V286 V288A209-A277 HydrophobicContact CB-CB 4.33Å; A209-A277 PolarHBondContact N-O 3.11Å; Y275-A277 PolarHBondContact O-N 3.14Å; A277-V286 HydrophobicContact CB-CB 4.03Å; A277-V286 HydrophobicContact CB-CG1 4.31Å; A277-V286 HydrophobicContact CB-CG2 4.08Å; A277-V288 HydrophobicContact CB-CG2 4.34Å
278K97.4Very high95.9Very high22 Ų2252.3 Ų52.310%0.09625%0.253CS..EExtended strand (participates in β ladder)trans-109140.1172.9-59.6-70178.6160.20110.1V203 L206 Q207 V286 V287 E292V203-K278 HydrophobicContact CG1-CG 4.33Å; L206-K278 HydrophobicContact CB-CB 3.77Å; L206-K278 HydrophobicContact CB-CD 4.24Å; L206-K278 HydrophobicContact CB-CG 4.2Å; L206-K278 HydrophobicContact CD1-CB 3.81Å; L206-K278 HydrophobicContact CD1-CG 4.48Å; L206-K278 HydrophobicContact CG-CB 4.48Å; Q207-K278 CarbonylContact O-C 3.49Å; Q207-K278 WeakPolarHBondContact O-CA 3.09Å; K278-V286 CarbonylContact O-C 3.46Å; K278-V286 WeakPolarHBondContact O-CA 3.28Å; K278-V286 WeakPolarHBondContact O-CB 3.37Å; K278-V287 PolarHBondContact N-O 3.45Å; K278-V287 PolarHBondContact O-N 3.12Å; K278-E292 WeakPolarHBondContact CE-OE1 3.25Å; K278-E292 WeakPolarHBondContact CE-OE2 3.33Å; K278-E292 IonicContact NZ-OE1 3.56Å; K278-E292 PolarHBondContact NZ-OE1 3.07Å; K278-E292 IonicContact NZ-OE2 2.92Å
279R97.1Very high96Very high41 Ų4151.1 Ų51.116%0.15525%0.246CC..EExtended strand (participates in β ladder)trans-77.8134.1-176.6-168.4165.8-178.4-116.1-9111Q207 A209 P281 K283 V314 E316Q207-R279 PolarHBondContact O-N 2.97Å; A209-R279 HydrophobicContact CB-CB 3.92Å; R279-P281 WeakPolarHBondContact O-CD 3.32Å; R279-K283 PolarHBondContact NE-O 3.26Å; R279-K283 PolarHBondContact NH2-O 2.88Å; R279-V314 HydrophobicContact CG-CG1 4.25Å; R279-E316 IonicContact CZ-OE1 3.44Å; R279-E316 IonicContact NH1-OE1 2.94Å; R279-E316 PolarHBondContact NH1-OE1 3.23Å
280I97Very high96.1Very high1 Ų144.6 Ų44.61%0.00522%0.222CC..PPolyproline II helixtrans-78.2120.1165.4-58.9-178000108.3I229 L233 G282 K283 A285 V287 V307I229-I280 HydrophobicContact CG2-CD1 3.71Å; L233-I280 HydrophobicContact CD2-CD1 3.79Å; L233-I280 HydrophobicContact CD2-CG1 4.01Å; L233-I280 HydrophobicContact CG-CD1 4.27Å; I280-G282 PolarHBondContact O-N 3.43Å; I280-K283 HydrophobicContact CB-CB 4.24Å; I280-K283 HydrophobicContact CG2-CB 4.12Å; I280-K283 HydrophobicContact CG2-CG 3.93Å; I280-K283 PolarHBondContact O-N 3.06Å; I280-K283 VanDerWaalsContact O-N 3.11Å; I280-A285 HydrophobicContact CB-CB 4.31Å; I280-A285 HydrophobicContact CD1-CB 3.84Å; I280-A285 HydrophobicContact CG1-CB 4.33Å; I280-A285 PolarHBondContact N-O 3.07Å; I280-V287 HydrophobicContact CD1-CG2 3.83Å; I280-V287 HydrophobicContact CG1-CG2 3.63Å; I280-V307 HydrophobicContact CD1-CG1 3.93Å
281P95.2Very high96Very high65 Ų6535.7 Ų35.742%0.42219%0.192SC..THydrogen-bonded Turntrans-54.5129.4-173.3-28.735.9000113.3L206 R279 K283L206-P281 HydrophobicContact CD2-CG 4.48Å; R279-P281 WeakPolarHBondContact O-CD 3.32Å; P281-K283 PolarHBondContact O-N 2.84Å
282G93.5Very high96Very high59 Ų5933.6 Ų33.661%0.60819%0.186SC*.THydrogen-bonded Turntrans66.517.4177.200000115I280I280-G282 PolarHBondContact O-N 3.43Å
283K96.6Very high96Very high65 Ų6533.4 Ų33.428%0.28319%0.185SC..SBendtrans-125.5159.3176.8-57.2-63.3163.8-131.80111.7V228 I229 S232 R279 I280 P281 A285V228-K283 HydrophobicContact CG1-CD 4.28Å; I229-K283 HydrophobicContact CD1-CB 4.04Å; I229-K283 HydrophobicContact CD1-CD 4.08Å; I229-K283 HydrophobicContact CD1-CG 3.86Å; S232-K283 WeakPolarHBondContact OG-CE 3.41Å; R279-K283 PolarHBondContact NE-O 3.26Å; R279-K283 PolarHBondContact NH2-O 2.88Å; I280-K283 HydrophobicContact CB-CB 4.24Å; I280-K283 HydrophobicContact CG2-CB 4.12Å; I280-K283 HydrophobicContact CG2-CG 3.93Å; I280-K283 PolarHBondContact O-N 3.06Å; I280-K283 VanDerWaalsContact O-N 3.11Å; P281-K283 PolarHBondContact O-N 2.84Å; K283-A285 HydrophobicContact CB-CB 4.13Å; K283-A285 PolarHBondContact O-N 2.96Å
284Q97.3Very high95.9Very high64 Ų6433.8 Ų33.830%0.29919%0.187SC..SBendtrans-9162.7164.5-72.4-67.2-59.300107.7F310 H312 V314Q284-F310 WeakPolarHBondContact CB-O 3.26Å; Q284-F310 PolarHBondContact O-N 3.37Å; Q284-F310 VanDerWaalsContact O-O 3.12Å; Q284-H312 VanDerWaalsContact OE1-C 3.29Å; Q284-V314 PolarHBondContact NE2-O 3.12Å
285A97.7Very high95.9Very high0 Ų035.1 Ų35.10%019%0.19CC..EExtended strand (participates in β ladder)trans-150.8152.4-178.400000109.8I229 I280 K283 M308 I309I229-A285 HydrophobicContact CD1-CB 3.88Å; I280-A285 HydrophobicContact CB-CB 4.31Å; I280-A285 HydrophobicContact CD1-CB 3.84Å; I280-A285 HydrophobicContact CG1-CB 4.33Å; I280-A285 PolarHBondContact N-O 3.07Å; K283-A285 HydrophobicContact CB-CB 4.13Å; K283-A285 PolarHBondContact O-N 2.96Å; A285-M308 CarbonylContact C-O 3.54Å; A285-M308 WeakPolarHBondContact CA-O 3.48Å; A285-I309 HydrophobicContact CB-CB 4.45Å; A285-I309 HydrophobicContact CB-CG1 4.19Å; A285-I309 HydrophobicContact CB-CG2 4.42Å
286V97.8Very high95.8Very high0 Ų034.7 Ų34.70%019%0.189CC..EExtended strand (participates in β ladder)trans-130.3153.9178.6-56.80000110.7A209 V211 A277 K278 V288 V307 M308 F310 V314A209-V286 HydrophobicContact CB-CG1 3.58Å; V211-V286 HydrophobicContact CG2-CG1 4.03Å; V211-V286 HydrophobicContact CG2-CG2 4.33Å; A277-V286 HydrophobicContact CB-CB 4.03Å; A277-V286 HydrophobicContact CB-CG1 4.31Å; A277-V286 HydrophobicContact CB-CG2 4.08Å; K278-V286 CarbonylContact O-C 3.46Å; K278-V286 WeakPolarHBondContact O-CA 3.28Å; K278-V286 WeakPolarHBondContact O-CB 3.37Å; V286-V288 HydrophobicContact CG2-CG2 4.33Å; V286-V307 WeakPolarHBondContact O-CA 3.38Å; V286-M308 HydrophobicContact CG2-CB 4Å; V286-M308 PolarHBondContact N-O 3.24Å; V286-M308 PolarHBondContact O-N 2.69Å; V286-F310 HydrophobicContact CG2-CE2 4.03Å; V286-V314 HydrophobicContact CG1-CG1 3.57Å; V286-V314 HydrophobicContact CG1-CG2 4.24Å
287V97.7Very high95.6Very high0 Ų033 Ų330%018%0.183CC..EExtended strand (participates in β ladder)trans-103.4133.6166.9-170.40000108W202 L233 L246 K278 I280 M289 L306 V307W202-V287 HydrophobicContact CH2-CG1 4.27Å; W202-V287 HydrophobicContact CH2-CG2 4.25Å; L233-V287 HydrophobicContact CD2-CG2 3.75Å; L246-V287 HydrophobicContact CD1-CG1 4.33Å; L246-V287 HydrophobicContact CD2-CG1 4.29Å; K278-V287 PolarHBondContact N-O 3.45Å; K278-V287 PolarHBondContact O-N 3.12Å; I280-V287 HydrophobicContact CD1-CG2 3.83Å; I280-V287 HydrophobicContact CG1-CG2 3.63Å; V287-M289 HydrophobicContact CG1-CG 3.83Å; V287-M289 HydrophobicContact CG1-SD 3.34Å; V287-M289 WeakPolarHBondContact CG1-SD 3.49Å; V287-L306 WeakPolarHBondContact CA-O 3.49Å; V287-V307 HydrophobicContact CG2-CG2 4.44Å
288V97.4Very high95.3Very high2 Ų241.1 Ų41.11%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-116.898.4173.5178.80000106.7Y275 A277 V286 N293 G305 L306 M308Y275-V288 HydrophobicContact CD1-CG1 3.4Å; Y275-V288 HydrophobicContact CE1-CG1 3.76Å; Y275-V288 HydrophobicContact CG-CG1 4.07Å; Y275-V288 HydrophobicContact CG-CG2 4.43Å; A277-V288 HydrophobicContact CB-CG2 4.34Å; V286-V288 HydrophobicContact CG2-CG2 4.33Å; V288-N293 HydrophobicContact CG1-CB 4.35Å; V288-N293 WeakPolarHBondContact CG1-ND2 3.34Å; V288-G305 CarbonylContact O-C 3.2Å; V288-G305 VanDerWaalsContact O-CA 3.22Å; V288-G305 WeakPolarHBondContact O-CA 3.48Å; V288-L306 HydrophobicContact CB-CB 4.39Å; V288-L306 PolarHBondContact N-O 3.24Å; V288-L306 PolarHBondContact O-N 3.05Å; V288-M308 HydrophobicContact CG2-CE 4.15Å; V288-M308 HydrophobicContact CG2-SD 4.37Å
289M96.8Very high95.1Very high2 Ų243.9 Ų43.91%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-82.5138.2-175.6-64.6-62-63.200110.8I199 W202 V203 I242 L246 V287 C291 E292 N293 P304I199-M289 HydrophobicContact CG2-CE 3.58Å; W202-M289 HydrophobicContact CZ3-CE 4.27Å; W202-M289 HydrophobicContact CZ3-SD 3.96Å; V203-M289 HydrophobicContact CG1-CG 4.32Å; V203-M289 HydrophobicContact CG2-CB 4.44Å; V203-M289 HydrophobicContact CG2-CE 4.06Å; V203-M289 HydrophobicContact CG2-CG 3.6Å; V203-M289 HydrophobicContact CG2-SD 4.27Å; I242-M289 HydrophobicContact CD1-CE 3.96Å; L246-M289 HydrophobicContact CD1-SD 4.47Å; L246-M289 HydrophobicContact CD2-SD 4.15Å; V287-M289 HydrophobicContact CG1-CG 3.83Å; V287-M289 HydrophobicContact CG1-SD 3.34Å; V287-M289 WeakPolarHBondContact CG1-SD 3.49Å; M289-C291 VanDerWaalsContact C-N 3.27Å; M289-C291 PolarHBondContact O-N 2.94Å; M289-E292 PolarHBondContact O-N 3.04Å; M289-N293 WeakPolarHBondContact O-CB 3.47Å; M289-N293 PolarHBondContact O-N 3.05Å; M289-N293 PolarHBondContact O-ND2 3.37Å; M289-P304 WeakPolarHBondContact CE-O 3.12Å
290A93.9Very high95Very high3 Ų342 Ų423%0.02523%0.229CC..G310 helixtrans-60.5-38.9179.400000111.7E292 N293 Q294 E303 P304A290-E292 VanDerWaalsContact C-N 3.29Å; A290-E292 PolarHBondContact O-N 2.94Å; A290-N293 PolarHBondContact O-N 3.16Å; A290-Q294 PolarHBondContact O-N 3.39Å; A290-E303 HydrophobicContact CB-CG 4.42Å; A290-E303 WeakPolarHBondContact CB-OE1 3.43Å; A290-P304 PolarHBondContact N-O 3.2Å; A290-P304 VanDerWaalsContact N-O 3.17Å
291C90.8Very high94.8Very high25 Ų2543.7 Ų43.717%0.16924%0.237CC..G310 helixtrans-61.6-29.3179.2620000114.5Y196 M289Y196-C291 HydrophobicContact CE2-CB 4.09Å; M289-C291 VanDerWaalsContact C-N 3.27Å; M289-C291 PolarHBondContact O-N 2.94Å
292E93.8Very high94.7Very high47 Ų4743.3 Ų43.322%0.2223%0.231CC..G310 helixtrans-95.2-4.5176.3-72.3-171.2127.900113.3V203 V276 K278 M289 A290V203-E292 HydrophobicContact CG1-CG 4.07Å; V203-E292 WeakPolarHBondContact CG1-OE2 3.39Å; V276-E292 HydrophobicContact CB-CB 4.35Å; V276-E292 HydrophobicContact CG1-CB 4.08Å; K278-E292 WeakPolarHBondContact CE-OE1 3.25Å; K278-E292 WeakPolarHBondContact CE-OE2 3.33Å; K278-E292 IonicContact NZ-OE1 3.56Å; K278-E292 PolarHBondContact NZ-OE1 3.07Å; K278-E292 IonicContact NZ-OE2 2.92Å; M289-E292 PolarHBondContact O-N 3.04Å; A290-E292 VanDerWaalsContact C-N 3.29Å; A290-E292 PolarHBondContact O-N 2.94Å
293N95.8Very high94.5Very high0 Ų047.1 Ų47.10%023%0.233CC..  trans-123.324.1-172.4-71.7-87000113.9V276 V288 M289 A290 H295 M296 I301V276-N293 PolarHBondContact N-OD1 2.96Å; V276-N293 PolarHBondContact O-ND2 3.29Å; V288-N293 HydrophobicContact CG1-CB 4.35Å; V288-N293 WeakPolarHBondContact CG1-ND2 3.34Å; M289-N293 WeakPolarHBondContact O-CB 3.47Å; M289-N293 PolarHBondContact O-N 3.05Å; M289-N293 PolarHBondContact O-ND2 3.37Å; A290-N293 PolarHBondContact O-N 3.16Å; N293-H295 PolarHBondContact O-N 2.9Å; N293-H295 VanDerWaalsContact O-N 3.07Å; N293-M296 HydrophobicContact CB-CG 4.13Å; N293-M296 WeakPolarHBondContact O-CB 3.45Å; N293-M296 PolarHBondContact O-N 3.4Å; N293-I301 HydrophobicContact CB-CG2 3.89Å
294Q92.6Very high94.4Very high146 Ų14645 Ų4568%0.68223%0.226SC*.THydrogen-bonded Turntrans-61.7-15.2177.7-63.1-179.8-6.400113.9A290 M296A290-Q294 PolarHBondContact O-N 3.39Å; Q294-M296 VanDerWaalsContact C-N 3.33Å
295H94.9Very high94.3Very high110 Ų11042 Ų4251%0.50921%0.212SC..THydrogen-bonded Turntrans-78.8-15.4173.463.1-73.2000113.7N274 N293N274-H295 PolarHBondContact O-NE2 3.43Å; N293-H295 PolarHBondContact O-N 2.9Å; N293-H295 VanDerWaalsContact O-N 3.07Å
296M96.1Very high94.2Very high9 Ų942 Ų424%0.04421%0.212CC..SBendtrans-81.1156175-60.3-64.3-73.100110.1Y271 N274 Y275 N293 Q294 M300 I301Y271-M296 HydrophobicContact CD1-CE 4.09Å; Y271-M296 HydrophobicContact CE1-CE 3.82Å; N274-M296 HydrophobicContact CB-CE 4.19Å; N274-M296 HydrophobicContact CB-SD 3.63Å; Y275-M296 HydrophobicContact CD1-CE 3.75Å; Y275-M296 HydrophobicContact CD1-CG 3.93Å; Y275-M296 HydrophobicContact CD1-SD 4.34Å; Y275-M296 HydrophobicContact CD2-CE 4.34Å; Y275-M296 HydrophobicContact CE1-CE 3.69Å; Y275-M296 HydrophobicContact CE1-CG 4.06Å; Y275-M296 HydrophobicContact CE2-CE 4.28Å; Y275-M296 HydrophobicContact CG-CE 4.09Å; N293-M296 HydrophobicContact CB-CG 4.13Å; N293-M296 WeakPolarHBondContact O-CB 3.45Å; N293-M296 PolarHBondContact O-N 3.4Å; Q294-M296 VanDerWaalsContact C-N 3.33Å; M296-M300 HydrophobicContact CB-CB 4.3Å; M296-M300 HydrophobicContact CE-CB 4.49Å; M296-M300 HydrophobicContact CE-CE 4.01Å; M296-I301 HydrophobicContact CB-CG2 3.82Å
297G92.1Very high94.2Very high23 Ų2342 Ų4224%0.23721%0.212CC..  trans-60.7151.417500000113.1D299 M300 I301G297-D299 PolarHBondContact O-N 3.32Å; G297-D299 VanDerWaalsContact O-N 3.16Å; G297-M300 WeakPolarHBondContact O-CA 3.27Å; G297-M300 WeakPolarHBondContact O-CB 3.36Å; G297-M300 PolarHBondContact O-N 3.42Å; G297-I301 PolarHBondContact O-N 2.78Å
298E90.1Very high94.2Very high180 Ų18042 Ų4284%0.84121%0.212SC*.THydrogen-bonded Turntrans-59.4-25.7177.9-67.2-175.917300112.7M300E298-M300 PolarHBondContact O-N 3.4Å
299D93.5Very high94.3Very high80 Ų8042.1 Ų42.143%0.42821%0.213SC..THydrogen-bonded Turntrans-77.2-1.2174.867.1-42.2000113.8P256 A257 G258 G297P256-D299 VanDerWaalsContact CB-O 3.27Å; P256-D299 WeakPolarHBondContact CB-O 3.44Å; A257-D299 HydrophobicContact CB-CB 4.46Å; G258-D299 VanDerWaalsContact CA-O 3.3Å; G258-D299 WeakPolarHBondContact CA-O 3.46Å; G258-D299 PolarHBondContact N-O 3.48Å; G297-D299 PolarHBondContact O-N 3.32Å; G297-D299 VanDerWaalsContact O-N 3.16Å
300M94.2Very high94.3Very high1 Ų142.3 Ų42.31%0.00521%0.214CC..THydrogen-bonded Turntrans-119.9-9.1-175.1-62.1-75.2-65.700113Y271 Y272 Y275 M296 G297 E298Y271-M300 HydrophobicContact CD1-CE 3.45Å; Y271-M300 VanDerWaalsContact CD1-CE 3.45Å; Y271-M300 HydrophobicContact CD1-CG 4.27Å; Y271-M300 HydrophobicContact CD1-SD 4.17Å; Y271-M300 HydrophobicContact CE1-CE 3.97Å; Y271-M300 HydrophobicContact CE1-CG 3.93Å; Y271-M300 HydrophobicContact CE1-SD 4.44Å; Y271-M300 HydrophobicContact CG-CE 4.48Å; Y272-M300 HydrophobicContact CD1-CE 3.42Å; Y272-M300 VanDerWaalsContact CD1-CE 3.42Å; Y272-M300 HydrophobicContact CE1-CE 3.3Å; Y272-M300 HydrophobicContact CE1-SD 4.2Å; Y275-M300 HydrophobicContact CE1-CB 4.46Å; Y275-M300 WeakPolarHBondContact CE1-O 3.41Å; Y275-M300 HydrophobicContact CE2-CE 4.05Å; Y275-M300 WeakPolarHBondContact OH-CE 3.36Å; Y275-M300 PolarHBondContact OH-O 2.93Å; M296-M300 HydrophobicContact CB-CB 4.3Å; M296-M300 HydrophobicContact CE-CB 4.49Å; M296-M300 HydrophobicContact CE-CE 4.01Å; G297-M300 WeakPolarHBondContact O-CA 3.27Å; G297-M300 WeakPolarHBondContact O-CB 3.36Å; G297-M300 PolarHBondContact O-N 3.42Å; E298-M300 PolarHBondContact O-N 3.4Å
301I93.4Very high94.3Very high37 Ų3745.3 Ų45.319%0.1924%0.238CC..  trans-120.3159.1178.761.3173.9000110.6N293 M296 G297N293-I301 HydrophobicContact CB-CG2 3.89Å; M296-I301 HydrophobicContact CB-CG2 3.82Å; G297-I301 PolarHBondContact O-N 2.78Å
302L93.3Very high94.4Very high56 Ų5648.2 Ų48.229%0.29325%0.249SC..  trans-149.1136.4175.9-173.663.3000108.6N249 N254 P304 G305 L306N249-L302 HydrophobicContact CB-CD2 4.22Å; N249-L302 WeakPolarHBondContact ND2-CD2 3.41Å; N249-L302 WeakPolarHBondContact OD1-CD2 3.48Å; N254-L302 WeakPolarHBondContact O-CD2 3.31Å; L302-P304 CarbonylContact O-C 3.45Å; L302-G305 CarbonylContact O-C 3.5Å; L302-G305 WeakPolarHBondContact O-CA 3.41Å; L302-G305 PolarHBondContact O-N 3.2Å; L302-L306 HydrophobicContact CB-CD1 4.5Å; L302-L306 HydrophobicContact CB-CD2 3.82Å; L302-L306 HydrophobicContact CB-CG 4.04Å; L302-L306 HydrophobicContact CD2-CD2 4.02Å
303E89.8Confident94.4Very high140 Ų14046.5 Ų46.565%0.65424%0.244SC*.SBendtrans-75.6140.9174.8-70.6-66165.200111N249 A290 G305N249-E303 PolarHBondContact ND2-O 3.18Å; A290-E303 HydrophobicContact CB-CG 4.42Å; A290-E303 WeakPolarHBondContact CB-OE1 3.43Å; E303-G305 VanDerWaalsContact C-N 3.33Å
304P92.6Very high94.4Very high21 Ų2146.8 Ų46.814%0.13625%0.246CC..SBendcis-78.5-14.9-7.731.4-33.4000113.3I242 D245 L246 M289 A290 L302I242-P304 HydrophobicContact CB-CB 4.22Å; I242-P304 HydrophobicContact CB-CG 3.75Å; I242-P304 HydrophobicContact CG2-CB 3.84Å; I242-P304 HydrophobicContact CG2-CG 3.79Å; D245-P304 HydrophobicContact CB-CG 4.09Å; L246-P304 HydrophobicContact CD2-CG 4.25Å; L246-P304 HydrophobicContact CG-CG 4.44Å; M289-P304 WeakPolarHBondContact CE-O 3.12Å; A290-P304 PolarHBondContact N-O 3.2Å; A290-P304 VanDerWaalsContact N-O 3.17Å; L302-P304 CarbonylContact O-C 3.45Å
305G95.9Very high94.5Very high0 Ų043.7 Ų43.70%023%0.231CC..EExtended strand (participates in β ladder)trans176.3-179177.200000112N249 V288 L302 E303N249-G305 WeakPolarHBondContact CB-O 3.5Å; N249-G305 PolarHBondContact ND2-O 3.48Å; V288-G305 CarbonylContact O-C 3.2Å; V288-G305 VanDerWaalsContact O-CA 3.22Å; V288-G305 WeakPolarHBondContact O-CA 3.48Å; L302-G305 CarbonylContact O-C 3.5Å; L302-G305 WeakPolarHBondContact O-CA 3.41Å; L302-G305 PolarHBondContact O-N 3.2Å; E303-G305 VanDerWaalsContact C-N 3.33Å
306L96.3Very high94.2Very high0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans-117.8147.6177.6-64.3157.3000110.2N249 P256 L259 V287 V288 L302 M308N249-L306 HydrophobicContact CB-CD2 4.25Å; P256-L306 HydrophobicContact CG-CD1 4.22Å; L259-L306 HydrophobicContact CD1-CD1 3.88Å; V287-L306 WeakPolarHBondContact CA-O 3.49Å; V288-L306 HydrophobicContact CB-CB 4.39Å; V288-L306 PolarHBondContact N-O 3.24Å; V288-L306 PolarHBondContact O-N 3.05Å; L302-L306 HydrophobicContact CB-CD1 4.5Å; L302-L306 HydrophobicContact CB-CD2 3.82Å; L302-L306 HydrophobicContact CB-CG 4.04Å; L302-L306 HydrophobicContact CD2-CD2 4.02Å; L306-M308 HydrophobicContact CB-CE 4.38Å; L306-M308 HydrophobicContact CD1-CE 4.21Å
307V97.9Very high93.5Very high0 Ų047 Ų470%025%0.249CC..EExtended strand (participates in β ladder)trans-111.5125.3168.5174.20000109I229 L233 L246 A250 I280 V286 V287 I309I229-V307 HydrophobicContact CG2-CG1 3.92Å; L233-V307 HydrophobicContact CD1-CG2 4.31Å; L246-V307 HydrophobicContact CB-CG2 3.91Å; L246-V307 VanDerWaalsContact O-CG2 3.26Å; L246-V307 WeakPolarHBondContact O-CG2 3.44Å; A250-V307 VanDerWaalsContact CA-O 3.31Å; A250-V307 WeakPolarHBondContact CA-O 3.23Å; A250-V307 HydrophobicContact CB-CB 3.85Å; A250-V307 HydrophobicContact CB-CG1 4.08Å; I280-V307 HydrophobicContact CD1-CG1 3.93Å; V286-V307 WeakPolarHBondContact O-CA 3.38Å; V287-V307 HydrophobicContact CG2-CG2 4.44Å; V307-I309 HydrophobicContact CG1-CG1 4.12Å
308M97.7Very high92Very high0 Ų056.9 Ų56.90%030%0.295CS..EExtended strand (participates in β ladder)trans-115.9120.6177.5-61.2180-168.700109.2W214 M217 L259 Y275 A285 V286 V288 L306 F310W214-M308 HydrophobicContact CZ3-SD 3.82Å; M217-M308 HydrophobicContact CE-CB 4.39Å; M217-M308 HydrophobicContact CE-CG 4.23Å; M217-M308 HydrophobicContact CE-SD 3.61Å; L259-M308 HydrophobicContact CD1-CE 3.59Å; L259-M308 HydrophobicContact CD2-CE 4.12Å; Y275-M308 HydrophobicContact CD2-CE 4.4Å; Y275-M308 HydrophobicContact CE2-CE 3.85Å; A285-M308 CarbonylContact C-O 3.54Å; A285-M308 WeakPolarHBondContact CA-O 3.48Å; V286-M308 HydrophobicContact CG2-CB 4Å; V286-M308 PolarHBondContact N-O 3.24Å; V286-M308 PolarHBondContact O-N 2.69Å; V288-M308 HydrophobicContact CG2-CE 4.15Å; V288-M308 HydrophobicContact CG2-SD 4.37Å; L306-M308 HydrophobicContact CB-CE 4.38Å; L306-M308 HydrophobicContact CD1-CE 4.21Å; M308-F310 HydrophobicContact CB-CE2 3.57Å; M308-F310 HydrophobicContact CB-CZ 3.85Å; M308-F310 WeakPolarHBondContact O-CE2 3.1Å
309I97.9Very high92.1Very high5 Ų550.7 Ų50.73%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-104.5137.7-177.8-51.7166.5000108.2M217 I218 P221 L225 I229 A250 A285 V307M217-I309 WeakPolarHBondContact CA-O 3.47Å; I218-I309 HydrophobicContact CB-CB 4.47Å; I218-I309 HydrophobicContact CD1-CG2 4.19Å; I218-I309 PolarHBondContact N-O 2.99Å; P221-I309 HydrophobicContact CB-CD1 3.8Å; P221-I309 HydrophobicContact CG-CD1 4.02Å; L225-I309 HydrophobicContact CD1-CG2 4.44Å; L225-I309 HydrophobicContact CD2-CD1 4.45Å; L225-I309 HydrophobicContact CD2-CG2 4.15Å; L225-I309 HydrophobicContact CG-CD1 4.24Å; L225-I309 HydrophobicContact CG-CG2 4.47Å; I229-I309 HydrophobicContact CG1-CD1 3.76Å; I229-I309 HydrophobicContact CG1-CG1 4.1Å; A250-I309 HydrophobicContact CB-CD1 4.42Å; A285-I309 HydrophobicContact CB-CB 4.45Å; A285-I309 HydrophobicContact CB-CG1 4.19Å; A285-I309 HydrophobicContact CB-CG2 4.42Å; V307-I309 HydrophobicContact CG1-CG1 4.12Å
310F97.6Very high92Very high6 Ų649.2 Ų49.23%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-127.4149.1-176.8-61.3-91.8000110.4V211 W214 G216 M217 Q284 V286 M308 H312 V314V211-F310 HydrophobicContact CG1-CD1 4.17Å; V211-F310 HydrophobicContact CG1-CE1 3.66Å; V211-F310 HydrophobicContact CG1-CE2 4.23Å; V211-F310 HydrophobicContact CG1-CZ 3.69Å; V211-F310 HydrophobicContact CG2-CE2 4.1Å; V211-F310 HydrophobicContact CG2-CZ 4.17Å; W214-F310 HydrophobicContact CE3-CE1 4.13Å; W214-F310 AromaticContact CE3-CZ 3.96Å; W214-F310 HydrophobicContact CE3-CZ 3.96Å; W214-F310 AromaticContact CZ3-CZ 3.94Å; W214-F310 HydrophobicContact CZ3-CZ 3.94Å; G216-F310 WeakPolarHBondContact O-CA 3.34Å; M217-F310 HydrophobicContact CB-CD1 4Å; M217-F310 HydrophobicContact CB-CE1 3.7Å; M217-F310 HydrophobicContact CB-CZ 4.48Å; M217-F310 HydrophobicContact CE-CE1 3.95Å; M217-F310 HydrophobicContact CE-CZ 3.83Å; M217-F310 HydrophobicContact CG-CE1 4.09Å; M217-F310 HydrophobicContact CG-CZ 4.39Å; Q284-F310 WeakPolarHBondContact CB-O 3.26Å; Q284-F310 PolarHBondContact O-N 3.37Å; Q284-F310 VanDerWaalsContact O-O 3.12Å; V286-F310 HydrophobicContact CG2-CE2 4.03Å; M308-F310 HydrophobicContact CB-CE2 3.57Å; M308-F310 HydrophobicContact CB-CZ 3.85Å; M308-F310 WeakPolarHBondContact O-CE2 3.1Å; F310-H312 VanDerWaalsContact C-N 3.31Å; F310-V314 HydrophobicContact CB-CG2 4.06Å; F310-V314 HydrophobicContact CD2-CG2 3.57Å; F310-V314 HydrophobicContact CE2-CG2 4.33Å; F310-V314 HydrophobicContact CG-CG2 4.01Å
311A94.3Very high91.9Very high65 Ų6551.8 Ų51.854%0.53727%0.273SS..SBendtrans-67.6-35.7169.400000111.7G216G216-A311 PolarHBondContact O-N 3.26Å
312H93.6Very high91.8Very high86 Ų8652.7 Ų52.740%0.39828%0.278SS..SBendtrans-168.3165-179.655.5-73.5000110.5R213 Q284 F310R213-H312 WeakPolarHBondContact CD-CD2 3.46Å; R213-H312 WeakPolarHBondContact CD-NE2 3.36Å; R213-H312 PolarHBondContact NH1-CD2 3.39Å; R213-H312 PolarHBondContact NH1-NE2 2.82Å; Q284-H312 VanDerWaalsContact OE1-C 3.29Å; F310-H312 VanDerWaalsContact C-N 3.31Å
313G92.3Very high91.7Very high11 Ų1152.5 Ų52.511%0.11328%0.277CS..  trans98.516173.100000115.3V211 T212V211-G313 CarbonylContact C-O 3.5Å; V211-G313 WeakPolarHBondContact CA-O 3.38Å; T212-G313 PolarHBondContact N-O 3Å; T212-G313 PolarHBondContact OG1-O 3.27Å
314V96.3Very high91.9Very high7 Ų746.7 Ų46.74%0.04225%0.252CS..EExtended strand (participates in β ladder)trans-94.9116.4167-1760000108.7A209 V211 R279 Q284 V286 F310A209-V314 HydrophobicContact CB-CG1 4.17Å; V211-V314 HydrophobicContact CG2-CG2 4.48Å; R279-V314 HydrophobicContact CG-CG1 4.25Å; Q284-V314 PolarHBondContact NE2-O 3.12Å; V286-V314 HydrophobicContact CG1-CG1 3.57Å; V286-V314 HydrophobicContact CG1-CG2 4.24Å; F310-V314 HydrophobicContact CB-CG2 4.06Å; F310-V314 HydrophobicContact CD2-CG2 3.57Å; F310-V314 HydrophobicContact CE2-CG2 4.33Å; F310-V314 HydrophobicContact CG-CG2 4.01Å
315E94Very high91.8Very high80 Ų8048.5 Ų48.537%0.37426%0.26SS..EExtended strand (participates in β ladder)trans-116.4151.4-179.2-67.3169.7-165.800110.5A209 R210 T212A209-E315 CarbonylContact C-O 3.55Å; A209-E315 WeakPolarHBondContact CA-O 3.45Å; R210-E315 IonicContact CZ-OE2 3.43Å; R210-E315 PolarHBondContact N-O 3.32Å; R210-E315 IonicContact NE-OE2 3.77Å; R210-E315 IonicContact NH2-OE2 3.13Å; R210-E315 PolarHBondContact NH2-OE2 3.14Å; R210-E315 PolarHBondContact O-N 3.02Å; T212-E315 HydrophobicContact CG2-CG 4.45Å
316E88.6Confident91.5Very high98 Ų9852.2 Ų52.246%0.45828%0.28SS..EExtended strand (participates in β ladder)trans-82.8142.2170.5-70.3174.9-177.900109.8R279R279-E316 IonicContact CZ-OE1 3.44Å; R279-E316 IonicContact NH1-OE1 2.94Å; R279-E316 PolarHBondContact NH1-OE1 3.23Å
317I82.3Confident91.1Very high92 Ų9256.6 Ų56.647%0.47230%0.304SS..  trans-88.7107.5171.1-54.3176000106.5P208 R210P208-I317 HydrophobicContact CB-CB 4.36Å; P208-I317 HydrophobicContact CB-CD1 4.18Å; P208-I317 PolarHBondContact O-N 3.33Å; R210-I317 HydrophobicContact CB-CD1 4.14Å; R210-I317 HydrophobicContact CB-CG1 3.87Å
318L60.9Low90.5Very high229 Ų22961.7 Ų61.7100%1.19933%0.331SS*.  trans-70.70172.9-72.5175.3000111.8

Retrieved 318 of 318 residues in 228.6 ms (Link to these results)

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