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Fructose-bisphosphate aldolase

AlphaFold DB , UniProt , Accession P53442, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 363 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
1M64.8Low86.2Confident237 Ų237116.3 Ų116.3100%1.16759%0.59SS**  0148.30-76.9177.1-173.600108.5
2S76.8Confident87.2Confident86 Ų86111.9 Ų111.960%0.60157%0.566SS**  trans-57.8142.5168.4174.60000109.4F4S2-F4 WeakPolarHBondContact CB-O 3.22Å; S2-F4 PolarHBondContact O-N 3.37Å; S2-F4 PolarHBondContact OG-N 3.26Å; S2-F4 PolarHBondContact OG-O 3.21Å
3R81Confident88.1Confident223 Ų223107.8 Ų107.884%0.84254%0.543SS*.SBendtrans-57.3-31.4172.2178.4177.9177177.1-0.1111.8
4F81.1Confident88.8Confident113 Ų113104.6 Ų104.650%0.49653%0.529SS..SBendtrans-120.3110.9177.8-56.1-67.7000108.4S2 H221S2-F4 WeakPolarHBondContact CB-O 3.22Å; S2-F4 PolarHBondContact O-N 3.37Å; S2-F4 PolarHBondContact OG-N 3.26Å; S2-F4 PolarHBondContact OG-O 3.21Å; F4-H221 AromaticContact CD1-CE1 3.33Å; F4-H221 WeakPolarHBondContact CD1-CE1 3.22Å; F4-H221 AromaticContact CD1-NE2 3.58Å; F4-H221 AromaticContact CE1-CE1 3.47Å; F4-H221 VanDerWaalsContact CE1-CE1 3.47Å; F4-H221 WeakPolarHBondContact CE1-CE1 3.26Å; F4-H221 AromaticContact CE1-NE2 4Å
5Q79.1Confident89.5Confident158 Ų158103.1 Ų103.174%0.73852%0.523SS*.  trans-83.2121.1177-176.3174.2-7.100109Y7Q5-Y7 PolarHBondContact O-N 3.21Å
6P84.7Confident90.1Very high102 Ų10296.8 Ų96.866%0.66249%0.491SS*.  trans-65.3131.6173.127.1-32.3000109.4
7Y92.6Very high90.6Very high61 Ų6194.9 Ų94.924%0.23948%0.476CS..  trans-104.4-5.2173.865-93.3000112.9Q5 Q179 Q180 H221 V222 Y223Q5-Y7 PolarHBondContact O-N 3.21Å; Y7-Q179 HydrophobicContact CE2-CB 4.18Å; Y7-Q179 PolarHBondContact OH-OE1 3.35Å; Y7-Q180 HydrophobicContact CD2-CG 3.44Å; Y7-Q180 VanDerWaalsContact CD2-CG 3.44Å; Y7-Q180 HydrophobicContact CE2-CG 4.08Å; Y7-Q180 HydrophobicContact CG-CG 4.24Å; Y7-H221 HydrophobicContact CE1-CB 4.14Å; Y7-H221 WeakPolarHBondContact CE1-O 3.47Å; Y7-H221 PolarHBondContact OH-O 2.85Å; Y7-V222 VanDerWaalsContact OH-CA 3.31Å; Y7-V222 WeakPolarHBondContact OH-CA 3.06Å; Y7-Y223 PolarHBondContact OH-N 3.44Å
8L96.8Very high91Very high13 Ų1397.4 Ų97.47%0.06848%0.479CS..SBendtrans-115.7141.2171.6-57.8176.1000109.4Q12 E13 L16 Q179 Y223L8-Q12 HydrophobicContact CB-CB 4.26Å; L8-Q12 HydrophobicContact CD2-CB 4.2Å; L8-E13 HydrophobicContact CB-CG 3.78Å; L8-E13 HydrophobicContact CD1-CG 3.97Å; L8-L16 HydrophobicContact CD1-CD1 3.8Å; L8-L16 HydrophobicContact CD2-CD1 4.44Å; L8-Q179 HydrophobicContact CD1-CB 4.25Å; L8-Q179 HydrophobicContact CD2-CB 4.25Å; L8-Q179 WeakPolarHBondContact CD2-O 3.41Å; L8-Y223 HydrophobicContact CD1-CD1 4.4Å; L8-Y223 HydrophobicContact CD1-CG 4.18Å
9T96.5Very high91.5Very high79 Ų7992.9 Ų92.949%0.48546%0.457SS..  trans-77.5157.7162.560.40000109.7A11 Q12 E13T9-A11 PolarHBondContact O-N 3.45Å; T9-Q12 WeakPolarHBondContact O-CB 3.45Å; T9-Q12 PolarHBondContact O-N 2.75Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.3Å; T9-Q12 PolarHBondContact OG1-N 2.73Å; T9-Q12 PolarHBondContact OG1-OE1 3.2Å; T9-E13 PolarHBondContact O-N 3.16Å
10E96.2Very high91.8Very high145 Ų14588.3 Ų88.368%0.67843%0.434SS*.Hα-helixtrans-55.3-35.9175-172.7-178.3173.900112.2E13 N14E10-E13 PolarHBondContact O-N 3.42Å; E10-N14 WeakPolarHBondContact O-CB 3.48Å; E10-N14 PolarHBondContact O-N 3.34Å; E10-N14 PolarHBondContact O-ND2 3.14Å
11A98.3Very high92.1Very high62 Ų6289.5 Ų89.551%0.51244%0.439SS..Hα-helixtrans-62.4-44.2174.700000112.2T9 N14 D15T9-A11 PolarHBondContact O-N 3.45Å; A11-N14 PolarHBondContact O-N 2.97Å; A11-D15 PolarHBondContact O-N 3.38Å
12Q98.6Very high93.8Very high64 Ų6480.2 Ų80.230%0.29940%0.4SS..Hα-helixtrans-65.2-42.3176.3-73166.4-58.100111.8L8 T9 N14 D15 L16L8-Q12 HydrophobicContact CB-CB 4.26Å; L8-Q12 HydrophobicContact CD2-CB 4.2Å; T9-Q12 WeakPolarHBondContact O-CB 3.45Å; T9-Q12 PolarHBondContact O-N 2.75Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.3Å; T9-Q12 PolarHBondContact OG1-N 2.73Å; T9-Q12 PolarHBondContact OG1-OE1 3.2Å; Q12-N14 VanDerWaalsContact C-N 3.35Å; Q12-N14 PolarHBondContact O-N 3.42Å; Q12-D15 PolarHBondContact O-N 2.81Å; Q12-L16 VanDerWaalsContact O-CG 3.3Å; Q12-L16 WeakPolarHBondContact O-CG 3.15Å; Q12-L16 PolarHBondContact O-N 3.47Å
13E98.6Very high94.8Very high58 Ų5876.1 Ų76.127%0.27137%0.371SS..Hα-helixtrans-60.3-44.8174.8-69.6-175.2172.400111.7L8 T9 E10 D15 L16 R17 Y223L8-E13 HydrophobicContact CB-CG 3.78Å; L8-E13 HydrophobicContact CD1-CG 3.97Å; T9-E13 PolarHBondContact O-N 3.16Å; E10-E13 PolarHBondContact O-N 3.42Å; E13-D15 VanDerWaalsContact C-N 3.35Å; E13-D15 PolarHBondContact O-N 2.75Å; E13-L16 PolarHBondContact O-N 3.28Å; E13-R17 VanDerWaalsContact O-CB 3.3Å; E13-R17 WeakPolarHBondContact O-CB 3.32Å; E13-R17 PolarHBondContact O-N 3.11Å; E13-Y223 HydrophobicContact CB-CD1 4.11Å; E13-Y223 HydrophobicContact CB-CE1 3.68Å; E13-Y223 HydrophobicContact CB-CE2 4.31Å; E13-Y223 HydrophobicContact CG-CD1 4.01Å; E13-Y223 HydrophobicContact CG-CD2 4.07Å; E13-Y223 HydrophobicContact CG-CE1 4.04Å; E13-Y223 HydrophobicContact CG-CE2 4.12Å; E13-Y223 HydrophobicContact CG-CG 4.05Å
14N98.7Very high95.6Very high64 Ų6466 Ų6634%0.34234%0.335SS..Hα-helixtrans-61.9-41.3177.6-72-23000112.1E10 A11 Q12 R17 R18E10-N14 WeakPolarHBondContact O-CB 3.48Å; E10-N14 PolarHBondContact O-N 3.34Å; E10-N14 PolarHBondContact O-ND2 3.14Å; A11-N14 PolarHBondContact O-N 2.97Å; Q12-N14 VanDerWaalsContact C-N 3.35Å; Q12-N14 PolarHBondContact O-N 3.42Å; N14-R17 PolarHBondContact OD1-NH1 3.04Å; N14-R17 PolarHBondContact OD1-NH2 3.36Å; N14-R17 VanDerWaalsContact OD1-NH2 3.12Å; N14-R18 VanDerWaalsContact O-CB 3.29Å; N14-R18 WeakPolarHBondContact O-CB 3.46Å; N14-R18 PolarHBondContact O-N 3.44Å
15D98.7Very high96.5Very high82 Ų8262 Ų6244%0.43932%0.323SS..Hα-helixtrans-65.8-47.3176.6-91.5-34.2000112.5A11 Q12 E13 R17 R18 I19A11-D15 PolarHBondContact O-N 3.38Å; Q12-D15 PolarHBondContact O-N 2.81Å; E13-D15 VanDerWaalsContact C-N 3.35Å; E13-D15 PolarHBondContact O-N 2.75Å; D15-R17 VanDerWaalsContact C-N 3.33Å; D15-R17 PolarHBondContact O-N 2.87Å; D15-R18 PolarHBondContact O-N 3.07Å; D15-R18 IonicContact OD1-CZ 3.05Å; D15-R18 IonicContact OD1-NE 2.75Å; D15-R18 IonicContact OD1-NH2 3.09Å; D15-R18 PolarHBondContact OD1-NH2 3.38Å; D15-I19 WeakPolarHBondContact O-CD1 3.39Å; D15-I19 VanDerWaalsContact O-CG1 3.26Å; D15-I19 WeakPolarHBondContact O-CG1 3.17Å; D15-I19 PolarHBondContact O-N 3.01Å
16L98.9Very high97.4Very high2 Ų260.3 Ų60.31%0.0133%0.325CS..Hα-helixtrans-59.8-45177.1-69.1169.9000111.2L8 Q12 E13 R18 I19 A20 Q179 L183 V184L8-L16 HydrophobicContact CD1-CD1 3.8Å; L8-L16 HydrophobicContact CD2-CD1 4.44Å; Q12-L16 VanDerWaalsContact O-CG 3.3Å; Q12-L16 WeakPolarHBondContact O-CG 3.15Å; Q12-L16 PolarHBondContact O-N 3.47Å; E13-L16 PolarHBondContact O-N 3.28Å; L16-R18 PolarHBondContact O-N 3.08Å; L16-I19 PolarHBondContact O-N 3.38Å; L16-A20 WeakPolarHBondContact O-CB 3.36Å; L16-A20 PolarHBondContact O-N 2.98Å; L16-Q179 HydrophobicContact CD1-CB 3.84Å; L16-Q179 HydrophobicContact CD1-CG 3.82Å; L16-L183 VanDerWaalsContact CD2-C 3.5Å; L16-V184 HydrophobicContact CB-CG2 4.24Å; L16-V184 HydrophobicContact CD2-CG2 3.84Å; L16-V184 VanDerWaalsContact O-CG2 3.22Å; L16-V184 WeakPolarHBondContact O-CG2 3.31Å
17R98.8Very high98Very high64 Ų6456 Ų5624%0.24230%0.299CS..Hα-helixtrans-60.6-46.9177.6-169.4-177.1-37.5107.95.3111.8E13 N14 D15 I19 A20 Q21 Y223 E225E13-R17 VanDerWaalsContact O-CB 3.3Å; E13-R17 WeakPolarHBondContact O-CB 3.32Å; E13-R17 PolarHBondContact O-N 3.11Å; N14-R17 PolarHBondContact OD1-NH1 3.04Å; N14-R17 PolarHBondContact OD1-NH2 3.36Å; N14-R17 VanDerWaalsContact OD1-NH2 3.12Å; D15-R17 VanDerWaalsContact C-N 3.33Å; D15-R17 PolarHBondContact O-N 2.87Å; R17-I19 VanDerWaalsContact C-N 3.34Å; R17-I19 PolarHBondContact O-N 2.96Å; R17-A20 PolarHBondContact O-N 3.13Å; R17-Q21 WeakPolarHBondContact O-CB 3.4Å; R17-Q21 VanDerWaalsContact O-CG 3.27Å; R17-Q21 WeakPolarHBondContact O-CG 3.41Å; R17-Q21 PolarHBondContact O-N 3.18Å; R17-Y223 PolarHBondContact NE-OH 3.48Å; R17-Y223 PolarHBondContact NH2-OH 3.14Å; R17-E225 WeakPolarHBondContact CA-O 3.43Å; R17-E225 HydrophobicContact CG-CB 4.14Å
18R98.8Very high98.3Very high141 Ų14155.7 Ų55.753%0.53230%0.299SS..Hα-helixtrans-61.4-42.5178.5-177.2-176.159.7753111.6N14 D15 L16 A22N14-R18 VanDerWaalsContact O-CB 3.29Å; N14-R18 WeakPolarHBondContact O-CB 3.46Å; N14-R18 PolarHBondContact O-N 3.44Å; D15-R18 PolarHBondContact O-N 3.07Å; D15-R18 IonicContact OD1-CZ 3.05Å; D15-R18 IonicContact OD1-NE 2.75Å; D15-R18 IonicContact OD1-NH2 3.09Å; D15-R18 PolarHBondContact OD1-NH2 3.38Å; L16-R18 PolarHBondContact O-N 3.08Å; R18-A22 WeakPolarHBondContact O-CB 3.39Å; R18-A22 PolarHBondContact O-N 3.28Å
19I98.8Very high98.4Very high12 Ų1255.1 Ų55.16%0.06230%0.296CS..Hα-helixtrans-65.1-47.7177.6-67.6159.6000110.4D15 L16 R17 Q21 A22 I23 R144 V184D15-I19 WeakPolarHBondContact O-CD1 3.39Å; D15-I19 VanDerWaalsContact O-CG1 3.26Å; D15-I19 WeakPolarHBondContact O-CG1 3.17Å; D15-I19 PolarHBondContact O-N 3.01Å; L16-I19 PolarHBondContact O-N 3.38Å; R17-I19 VanDerWaalsContact C-N 3.34Å; R17-I19 PolarHBondContact O-N 2.96Å; I19-Q21 VanDerWaalsContact C-N 3.33Å; I19-Q21 PolarHBondContact O-N 3.07Å; I19-A22 PolarHBondContact O-N 2.87Å; I19-I23 HydrophobicContact CG2-CD1 3.92Å; I19-I23 WeakPolarHBondContact O-CG1 3.45Å; I19-I23 PolarHBondContact O-N 3.47Å; I19-R144 HydrophobicContact CD1-CB 4.13Å; I19-R144 HydrophobicContact CG1-CB 4.46Å; I19-R144 HydrophobicContact CG2-CB 3.98Å; I19-V184 HydrophobicContact CB-CG2 3.73Å; I19-V184 HydrophobicContact CG2-CB 4.3Å; I19-V184 HydrophobicContact CG2-CG2 3.62Å
20A98.9Very high98.5Very high0 Ų051.3 Ų51.30%027%0.273CS..Hα-helixtrans-60-43.2179.200000111.8L16 R17 I23 C24 V184 L228 P266L16-A20 WeakPolarHBondContact O-CB 3.36Å; L16-A20 PolarHBondContact O-N 2.98Å; R17-A20 PolarHBondContact O-N 3.13Å; A20-I23 PolarHBondContact O-N 3.18Å; A20-C24 PolarHBondContact O-N 3.15Å; A20-C24 VanDerWaalsContact O-N 3.1Å; A20-V184 HydrophobicContact CB-CG1 4Å; A20-V184 HydrophobicContact CB-CG2 4.29Å; A20-L228 HydrophobicContact CB-CD2 4.23Å; A20-L228 HydrophobicContact CB-CG 4.39Å; A20-P266 HydrophobicContact CB-CB 4.21Å; A20-P266 HydrophobicContact CB-CG 3.85Å
21Q98.6Very high98.6Very high113 Ų11344.4 Ų44.453%0.52824%0.24SC..Hα-helixtrans-64.4-40174.9-72.2173.6-11.400112.7R17 I19 I23 C24 A25R17-Q21 WeakPolarHBondContact O-CB 3.4Å; R17-Q21 VanDerWaalsContact O-CG 3.27Å; R17-Q21 WeakPolarHBondContact O-CG 3.41Å; R17-Q21 PolarHBondContact O-N 3.18Å; I19-Q21 VanDerWaalsContact C-N 3.33Å; I19-Q21 PolarHBondContact O-N 3.07Å; Q21-I23 VanDerWaalsContact C-N 3.35Å; Q21-C24 CarbonylContact O-C 3.52Å; Q21-C24 PolarHBondContact O-N 3.27Å; Q21-A25 PolarHBondContact O-N 3.4Å
22A98.7Very high98.7Very high43 Ų4341.5 Ų41.536%0.35522%0.216SC..Hα-helixtrans-65.1-38.4177.500000112.3R18 I19 C24 A25 I104R18-A22 WeakPolarHBondContact O-CB 3.39Å; R18-A22 PolarHBondContact O-N 3.28Å; I19-A22 PolarHBondContact O-N 2.87Å; A22-C24 VanDerWaalsContact C-N 3.28Å; A22-C24 PolarHBondContact O-N 3.39Å; A22-A25 PolarHBondContact O-N 3.21Å; A22-I104 HydrophobicContact CB-CD1 3.94Å
23I98.8Very high98.6Very high0 Ų038.4 Ų38.40%020%0.202CC..Hα-helixtrans-63-38.8173.2-67166.5000110.4I19 A20 Q21 A25 I30 S75 I104 F145 L228I19-I23 HydrophobicContact CG2-CD1 3.92Å; I19-I23 WeakPolarHBondContact O-CG1 3.45Å; I19-I23 PolarHBondContact O-N 3.47Å; A20-I23 PolarHBondContact O-N 3.18Å; Q21-I23 VanDerWaalsContact C-N 3.35Å; I23-A25 VanDerWaalsContact C-N 3.34Å; I23-A25 PolarHBondContact O-N 3.07Å; I23-I30 HydrophobicContact CG2-CD1 3.56Å; I23-I30 HydrophobicContact CG2-CG1 3.75Å; I23-S75 WeakPolarHBondContact CA-OG 3.4Å; I23-S75 VanDerWaalsContact O-CB 3.32Å; I23-S75 WeakPolarHBondContact O-CB 3.17Å; I23-S75 PolarHBondContact O-OG 3.14Å; I23-I104 HydrophobicContact CG1-CD1 3.81Å; I23-F145 HydrophobicContact CD1-CB 3.87Å; I23-F145 HydrophobicContact CD1-CD1 3.54Å; I23-F145 HydrophobicContact CD1-CE1 4.16Å; I23-F145 HydrophobicContact CD1-CG 3.75Å; I23-F145 HydrophobicContact CG1-CD1 4.38Å; I23-L228 HydrophobicContact CB-CD1 4.03Å; I23-L228 HydrophobicContact CD1-CD1 3.99Å; I23-L228 HydrophobicContact CG2-CD1 3.6Å
24C98.4Very high98.6Very high11 Ų1135.7 Ų35.77%0.07419%0.189CC..THydrogen-bonded Turntrans-9322.2-177.3-72.90000114.8A20 Q21 A22 L228 A297A20-C24 PolarHBondContact O-N 3.15Å; A20-C24 VanDerWaalsContact O-N 3.1Å; Q21-C24 CarbonylContact O-C 3.52Å; Q21-C24 PolarHBondContact O-N 3.27Å; A22-C24 VanDerWaalsContact C-N 3.28Å; A22-C24 PolarHBondContact O-N 3.39Å; C24-L228 WeakPolarHBondContact SG-CD2 3.42Å; C24-A297 HydrophobicContact CB-CB 3.7Å
25A98.4Very high98.5Very high29 Ų2932.7 Ų32.724%0.2417%0.173CC..  trans-55.5142.2176.900000111.5Q21 A22 I23 G27 K28Q21-A25 PolarHBondContact O-N 3.4Å; A22-A25 PolarHBondContact O-N 3.21Å; I23-A25 VanDerWaalsContact C-N 3.34Å; I23-A25 PolarHBondContact O-N 3.07Å; A25-G27 PolarHBondContact O-N 3.23Å; A25-K28 HydrophobicContact CB-CB 4.47Å; A25-K28 HydrophobicContact CB-CD 4.13Å; A25-K28 HydrophobicContact CB-CG 4.27Å; A25-K28 WeakPolarHBondContact O-CB 3.31Å; A25-K28 PolarHBondContact O-N 3.48Å
26P98.3Very high98.3Very high122 Ų12229.5 Ų29.579%0.79216%0.157SC*.THydrogen-bonded Turntrans-53.1131.4-177.6-28.235.1000113K28 V340P26-K28 PolarHBondContact O-N 3.39Å; P26-V340 HydrophobicContact CB-CG1 4.44Å
27G98.1Very high98.2Very high10 Ų1032 Ų3210%0.10317%0.172CC..THydrogen-bonded Turntrans75.67.2-179.700000114.8A25 N73 G336A25-G27 PolarHBondContact O-N 3.23Å; G27-N73 WeakPolarHBondContact O-CA 3.44Å; G27-N73 PolarHBondContact O-ND2 3.48Å; G27-G336 WeakPolarHBondContact CA-O 3.47Å; G27-G336 WeakPolarHBondContact O-CA 3.23Å
28K98.7Very high98Very high56 Ų5631.6 Ų31.624%0.24318%0.183CC..  trans-114.9147.3175.7-53.6-162.4-176.3-167.50112.5A25 P26 A71 E72 N73 T299A25-K28 HydrophobicContact CB-CB 4.47Å; A25-K28 HydrophobicContact CB-CD 4.13Å; A25-K28 HydrophobicContact CB-CG 4.27Å; A25-K28 WeakPolarHBondContact O-CB 3.31Å; A25-K28 PolarHBondContact O-N 3.48Å; P26-K28 PolarHBondContact O-N 3.39Å; K28-A71 WeakPolarHBondContact CE-O 3.35Å; K28-A71 PolarHBondContact NZ-O 2.85Å; K28-E72 WeakPolarHBondContact CG-O 3.37Å; K28-N73 CarbonylContact C-O 2.98Å; K28-N73 VanDerWaalsContact CA-O 3.24Å; K28-N73 WeakPolarHBondContact CA-O 3.46Å; K28-T299 WeakPolarHBondContact O-CB 3.38Å; K28-T299 PolarHBondContact O-OG1 2.86Å
29G98.7Very high97.8Very high0 Ų025.1 Ų25.10%016%0.159CC..EExtended strand (participates in β ladder)trans-140.1-163.5171.400000111.9N73 I74 S75 T299 F300G29-N73 PolarHBondContact N-O 3.42Å; G29-I74 CarbonylContact O-C 3.57Å; G29-I74 WeakPolarHBondContact O-CA 3.35Å; G29-S75 PolarHBondContact O-N 2.88Å; G29-S75 PolarHBondContact O-OG 3.15Å; G29-T299 WeakPolarHBondContact CA-OG1 3.41Å; G29-F300 CarbonylContact C-O 3.4Å; G29-F300 WeakPolarHBondContact CA-O 3.3Å
30I98.9Very high97.7Very high0 Ų024.6 Ų24.60%016%0.156CC..EExtended strand (participates in β ladder)trans-114.7132.8-173.1-57.4172.9000110I23 G76 I78 F145 I186 T269 F300 S301 F302I23-I30 HydrophobicContact CG2-CD1 3.56Å; I23-I30 HydrophobicContact CG2-CG1 3.75Å; I30-G76 VanDerWaalsContact CA-O 3.31Å; I30-G76 WeakPolarHBondContact CA-O 3.37Å; I30-G76 WeakPolarHBondContact CG2-O 3.44Å; I30-I78 HydrophobicContact CG2-CD1 3.89Å; I30-I78 HydrophobicContact CG2-CG1 3.43Å; I30-I78 VanDerWaalsContact CG2-CG1 3.43Å; I30-F145 HydrophobicContact CG2-CZ 4.44Å; I30-I186 HydrophobicContact CD1-CD1 3.61Å; I30-T269 HydrophobicContact CD1-CG2 4.01Å; I30-F300 PolarHBondContact N-O 2.88Å; I30-S301 CarbonylContact O-C 3.47Å; I30-S301 VanDerWaalsContact O-CA 3.32Å; I30-S301 WeakPolarHBondContact O-CA 3.47Å; I30-F302 PolarHBondContact O-N 3.19Å
31L98.9Very high97.6Very high0 Ų025.1 Ų25.10%016%0.161CC..EExtended strand (participates in β ladder)trans-85.2113.1164172.962.8000109A33 L63 F64 I74 G76 V77 I78 L306 Q307L31-A33 HydrophobicContact CG-CB 4.39Å; L31-A33 PolarHBondContact O-N 2.89Å; L31-L63 HydrophobicContact CD2-CB 4.33Å; L31-F64 HydrophobicContact CD2-CE1 4.32Å; L31-I74 HydrophobicContact CB-CD1 4.41Å; L31-I74 HydrophobicContact CB-CG2 4.11Å; L31-G76 PolarHBondContact N-O 3.24Å; L31-V77 HydrophobicContact CB-CG1 4.46Å; L31-V77 HydrophobicContact CB-CG2 4.16Å; L31-V77 HydrophobicContact CD2-CG1 4.44Å; L31-V77 HydrophobicContact CD2-CG2 4.39Å; L31-V77 HydrophobicContact CG-CG1 4.37Å; L31-V77 CarbonylContact O-C 3.51Å; L31-V77 VanDerWaalsContact O-CA 3.23Å; L31-V77 WeakPolarHBondContact O-CA 3.36Å; L31-V77 WeakPolarHBondContact O-CG1 3.41Å; L31-I78 PolarHBondContact O-N 2.81Å; L31-L306 HydrophobicContact CB-CD1 4.27Å; L31-L306 HydrophobicContact CD1-CB 3.74Å; L31-L306 HydrophobicContact CD1-CD1 3.96Å; L31-Q307 HydrophobicContact CD1-CG 3.9Å
32A98.6Very high97.5Very high0 Ų025.9 Ų25.90%016%0.163CC..EExtended strand (participates in β ladder)trans-86.295.4175.300000109.6I78 F302 G303 Q307A32-I78 HydrophobicContact CB-CD1 4.22Å; A32-I78 HydrophobicContact CB-CG1 4.3Å; A32-F302 PolarHBondContact N-O 3.27Å; A32-G303 VanDerWaalsContact O-CA 3.31Å; A32-G303 WeakPolarHBondContact O-CA 3.46Å; A32-Q307 PolarHBondContact O-NE2 2.87Å
33A98.4Very high97.3Very high0 Ų024.8 Ų24.80%015%0.149CC..EExtended strand (participates in β ladder)trans-107.337.8179.400000111.1L31 E35 R60 L63 F64 V77 I78L31-A33 HydrophobicContact CG-CB 4.39Å; L31-A33 PolarHBondContact O-N 2.89Å; A33-E35 WeakPolarHBondContact CA-OE2 3.39Å; A33-R60 PolarHBondContact O-NE 3.4Å; A33-R60 PolarHBondContact O-NH1 3.36Å; A33-R60 PolarHBondContact O-NH2 3.07Å; A33-L63 HydrophobicContact CB-CD1 4.49Å; A33-F64 HydrophobicContact CB-CE1 3.95Å; A33-F64 HydrophobicContact CB-CZ 3.91Å; A33-V77 HydrophobicContact CB-CG1 3.76Å; A33-I78 CarbonylContact C-O 3.55Å; A33-I78 VanDerWaalsContact CA-O 3.23Å; A33-I78 WeakPolarHBondContact CA-O 3.32Å; A33-I78 PolarHBondContact N-O 2.8Å
34D97.9Very high97.2Very high0 Ų024.8 Ų24.80%015%0.149CC..  trans-107.422-169.865.4-43.8000113.1S36 I78 L79 K108 K147D34-S36 PolarHBondContact O-N 3.39Å; D34-I78 HydrophobicContact CB-CB 4.02Å; D34-I78 HydrophobicContact CB-CG2 3.75Å; D34-I78 PolarHBondContact N-O 3.14Å; D34-L79 WeakPolarHBondContact CB-O 3.32Å; D34-K108 HydrophobicContact CB-CB 3.77Å; D34-K108 HydrophobicContact CB-CD 4.38Å; D34-K147 IonicContact OD1-NZ 3.21Å; D34-K147 WeakPolarHBondContact OD2-CE 3.49Å; D34-K147 IonicContact OD2-NZ 3.83Å; D34-K147 PolarHBondContact OD2-NZ 2.53Å
35E95.7Very high97.2Very high2 Ų231.4 Ų31.41%0.00918%0.179CC..  trans-57.3130.9172.9-60.679.6-172.100110.5A33 T39 M40 R43 R60 Q307A33-E35 WeakPolarHBondContact CA-OE2 3.39Å; E35-T39 HydrophobicContact CB-CG2 3.81Å; E35-T39 HydrophobicContact CG-CG2 3.77Å; E35-M40 HydrophobicContact CB-CB 4.22Å; E35-R43 VanDerWaalsContact CD-CZ 3.48Å; E35-R43 VanDerWaalsContact CD-NH1 3.31Å; E35-R43 VanDerWaalsContact CG-NH2 3.27Å; E35-R43 IonicContact OE1-CZ 3.27Å; E35-R43 IonicContact OE1-NH1 3.66Å; E35-R43 PolarHBondContact OE1-NH1 3.22Å; E35-R43 IonicContact OE1-NH2 2.66Å; E35-R43 PolarHBondContact OE1-NH2 3.02Å; E35-R60 IonicContact OE2-CZ 3.55Å; E35-R60 IonicContact OE2-NH1 2.66Å; E35-R60 PolarHBondContact OE2-NH1 2.99Å; E35-R60 IonicContact OE2-NH2 2.66Å; E35-R60 PolarHBondContact OE2-NH2 3.1Å; E35-Q307 PolarHBondContact OE1-NE2 2.79Å
36S94.6Very high96.9Very high14 Ų1437.3 Ų37.310%0.09820%0.202CC..  trans-58.5163.5169.168.10000110.7D34 A38 T39 M40 Y363D34-S36 PolarHBondContact O-N 3.39Å; S36-A38 PolarHBondContact O-N 2.79Å; S36-T39 PolarHBondContact O-N 3.41Å; S36-T39 VanDerWaalsContact O-N 3.15Å; S36-T39 WeakPolarHBondContact OG-CB 3.35Å; S36-T39 PolarHBondContact OG-N 2.74Å; S36-T39 PolarHBondContact OG-OG1 2.84Å; S36-M40 WeakPolarHBondContact O-CB 3.48Å; S36-M40 PolarHBondContact O-N 3.09Å; S36-Y363 PolarHBondContact OG-OXT 3.44Å
37T96.6Very high96.8Very high55 Ų5533.1 Ų33.134%0.33717%0.172SC..Hα-helixtrans-55.4-36.8173.854.90000112.3G41 N51 F80 E82T37-G41 PolarHBondContact O-N 2.69Å; T37-N51 PolarHBondContact O-ND2 3.24Å; T37-N51 VanDerWaalsContact O-ND2 3.1Å; T37-F80 HydrophobicContact CG2-CE1 4.1Å; T37-E82 WeakPolarHBondContact CG2-OE2 3.48Å
38A95.1Very high96.8Very high56 Ų5636 Ų3646%0.46320%0.203SC..Hα-helixtrans-70-45.6176.200000112.4S36 G41 K42S36-A38 PolarHBondContact O-N 2.79Å; A38-G41 PolarHBondContact O-N 3.21Å; A38-K42 PolarHBondContact O-N 3.21Å; A38-K42 VanDerWaalsContact O-N 3.13Å
39T94.6Very high96.7Very high5 Ų534.4 Ų34.43%0.03120%0.197CC..Hα-helixtrans-66.8-41.3178.3-72.40000111.5E35 S36 G41 K42 R43 Y363E35-T39 HydrophobicContact CB-CG2 3.81Å; E35-T39 HydrophobicContact CG-CG2 3.77Å; S36-T39 PolarHBondContact O-N 3.41Å; S36-T39 VanDerWaalsContact O-N 3.15Å; S36-T39 WeakPolarHBondContact OG-CB 3.35Å; S36-T39 PolarHBondContact OG-N 2.74Å; S36-T39 PolarHBondContact OG-OG1 2.84Å; T39-G41 VanDerWaalsContact C-N 3.29Å; T39-G41 PolarHBondContact O-N 3.26Å; T39-K42 PolarHBondContact O-N 2.79Å; T39-R43 PolarHBondContact O-N 3.44Å; T39-Y363 HydrophobicContact CG2-CD1 4.07Å; T39-Y363 HydrophobicContact CG2-CE1 4.4Å; T39-Y363 WeakPolarHBondContact OG1-CA 3.24Å; T39-Y363 PolarHBondContact OG1-OXT 2.79Å
40M96.6Very high96.6Very high1 Ų141 Ų411%0.00523%0.228CC..Hα-helixtrans-65-36.2175-165.261.9-131.500111.1E35 S36 K42 R43 L44 R56 Y59 L311E35-M40 HydrophobicContact CB-CB 4.22Å; S36-M40 WeakPolarHBondContact O-CB 3.48Å; S36-M40 PolarHBondContact O-N 3.09Å; M40-K42 PolarHBondContact O-N 3.29Å; M40-R43 HydrophobicContact CE-CB 3.84Å; M40-R43 WeakPolarHBondContact O-CB 3.18Å; M40-R43 PolarHBondContact O-N 3.46Å; M40-R43 VanDerWaalsContact O-N 3.1Å; M40-R43 HydrophobicContact SD-CB 4.44Å; M40-L44 HydrophobicContact CE-CD2 3.73Å; M40-L44 HydrophobicContact CE-CG 3.77Å; M40-L44 HydrophobicContact CG-CD1 4.45Å; M40-L44 HydrophobicContact CG-CG 4.45Å; M40-L44 WeakPolarHBondContact O-CG 3.14Å; M40-L44 PolarHBondContact O-N 3.37Å; M40-R56 HydrophobicContact CB-CG 4.31Å; M40-R56 HydrophobicContact CG-CB 4.47Å; M40-R56 HydrophobicContact CG-CG 3.75Å; M40-Y59 HydrophobicContact CE-CD1 3.53Å; M40-Y59 HydrophobicContact CE-CE1 3.81Å; M40-Y59 HydrophobicContact CE-CG 4.24Å; M40-Y59 HydrophobicContact SD-CD1 3.99Å; M40-Y59 HydrophobicContact SD-CE1 4.24Å; M40-L311 HydrophobicContact CE-CD1 4.12Å
41G97Very high96.6Very high10 Ų1044.3 Ų44.310%0.10325%0.246CC..Hα-helixtrans-57.5-46172.700000113.6T37 A38 T39 R43 L44 Q45 N51T37-G41 PolarHBondContact O-N 2.69Å; A38-G41 PolarHBondContact O-N 3.21Å; T39-G41 VanDerWaalsContact C-N 3.29Å; T39-G41 PolarHBondContact O-N 3.26Å; G41-R43 PolarHBondContact O-N 3.24Å; G41-L44 PolarHBondContact O-N 3.33Å; G41-Q45 WeakPolarHBondContact O-CB 3.29Å; G41-Q45 PolarHBondContact O-N 3Å; G41-N51 VanDerWaalsContact CA-ND2 3.32Å; G41-N51 WeakPolarHBondContact CA-ND2 3.38Å
42K95.9Very high96.6Very high129 Ų12946.6 Ų46.656%0.56126%0.258SS*.Hα-helixtrans-59.4-36.6174.6-67.4174.3-176.2172.20112.1A38 T39 M40 Q46A38-K42 PolarHBondContact O-N 3.21Å; A38-K42 VanDerWaalsContact O-N 3.13Å; T39-K42 PolarHBondContact O-N 2.79Å; M40-K42 PolarHBondContact O-N 3.29Å; K42-Q46 WeakPolarHBondContact O-CG 3.46Å
43R95Very high96.5Very high21 Ų2152.1 Ų52.18%0.07928%0.284CS..Hα-helixtrans-70.4-47.5177.1-71.3-171.6-175.3-173.714.3112.1E35 T39 M40 G41 Q45 Q46 L311E35-R43 VanDerWaalsContact CD-CZ 3.48Å; E35-R43 VanDerWaalsContact CD-NH1 3.31Å; E35-R43 VanDerWaalsContact CG-NH2 3.27Å; E35-R43 IonicContact OE1-CZ 3.27Å; E35-R43 IonicContact OE1-NH1 3.66Å; E35-R43 PolarHBondContact OE1-NH1 3.22Å; E35-R43 IonicContact OE1-NH2 2.66Å; E35-R43 PolarHBondContact OE1-NH2 3.02Å; T39-R43 PolarHBondContact O-N 3.44Å; M40-R43 HydrophobicContact CE-CB 3.84Å; M40-R43 WeakPolarHBondContact O-CB 3.18Å; M40-R43 PolarHBondContact O-N 3.46Å; M40-R43 VanDerWaalsContact O-N 3.1Å; M40-R43 HydrophobicContact SD-CB 4.44Å; G41-R43 PolarHBondContact O-N 3.24Å; R43-Q45 VanDerWaalsContact C-N 3.27Å; R43-Q45 PolarHBondContact O-N 3.01Å; R43-Q46 WeakPolarHBondContact O-CB 3.49Å; R43-Q46 PolarHBondContact O-N 3.32Å; R43-Q46 VanDerWaalsContact O-N 3.12Å; R43-L311 HydrophobicContact CB-CD2 3.71Å; R43-L311 HydrophobicContact CG-CD2 4.45Å; R43-L311 WeakPolarHBondContact O-CD2 3.46Å
44L98Very high96.5Very high0 Ų056.3 Ų56.30%030%0.304CS..Hα-helixtrans-60.6-37.6177.2-68.2176.5000111.8M40 G41 Q46 I47 G48 V49 N55 R56 L311 W314M40-L44 HydrophobicContact CE-CD2 3.73Å; M40-L44 HydrophobicContact CE-CG 3.77Å; M40-L44 HydrophobicContact CG-CD1 4.45Å; M40-L44 HydrophobicContact CG-CG 4.45Å; M40-L44 WeakPolarHBondContact O-CG 3.14Å; M40-L44 PolarHBondContact O-N 3.37Å; G41-L44 PolarHBondContact O-N 3.33Å; L44-Q46 VanDerWaalsContact C-N 3.26Å; L44-Q46 PolarHBondContact O-N 2.97Å; L44-I47 HydrophobicContact CD2-CD1 4.46Å; L44-I47 CarbonylContact O-C 3.53Å; L44-I47 WeakPolarHBondContact O-CG1 3.33Å; L44-I47 PolarHBondContact O-N 3.31Å; L44-I47 VanDerWaalsContact O-N 3.07Å; L44-G48 PolarHBondContact O-N 2.95Å; L44-V49 CarbonylContact C-O 3.54Å; L44-V49 HydrophobicContact CB-CB 4.11Å; L44-V49 HydrophobicContact CB-CG1 4.4Å; L44-V49 WeakPolarHBondContact CB-O 3.38Å; L44-V49 HydrophobicContact CD2-CB 4.1Å; L44-V49 HydrophobicContact CD2-CG1 3.92Å; L44-V49 HydrophobicContact CG-CG1 4.5Å; L44-V49 PolarHBondContact O-N 3.12Å; L44-N55 HydrophobicContact CD1-CB 4.23Å; L44-R56 HydrophobicContact CD1-CG 3.99Å; L44-L311 HydrophobicContact CD2-CD1 4.44Å; L44-W314 HydrophobicContact CD2-CH2 4.45Å; L44-W314 HydrophobicContact CD2-CZ3 3.83Å
45Q96.8Very high96.6Very high150 Ų15057.9 Ų57.970%0.70131%0.312SS*.Hα-helixtrans-58.9-35.3175.7-170.7-179.713.900112.8G41 R43 I47 G48G41-Q45 WeakPolarHBondContact O-CB 3.29Å; G41-Q45 PolarHBondContact O-N 3Å; R43-Q45 VanDerWaalsContact C-N 3.27Å; R43-Q45 PolarHBondContact O-N 3.01Å; Q45-I47 PolarHBondContact O-N 3.5Å; Q45-G48 PolarHBondContact O-N 3.27Å; Q45-G48 VanDerWaalsContact O-N 3.13Å
46Q93.5Very high96.7Very high152 Ų15258.9 Ų58.971%0.7132%0.316SS*.Hα-helixtrans-63.6-21.9178.5-68171.4-11.100113.3K42 R43 L44K42-Q46 WeakPolarHBondContact O-CG 3.46Å; R43-Q46 WeakPolarHBondContact O-CB 3.49Å; R43-Q46 PolarHBondContact O-N 3.32Å; R43-Q46 VanDerWaalsContact O-N 3.12Å; L44-Q46 VanDerWaalsContact C-N 3.26Å; L44-Q46 PolarHBondContact O-N 2.97Å
47I96.4Very high96.9Very high34 Ų3459.3 Ų59.317%0.17432%0.315CS..THydrogen-bonded Turntrans-112.411.2178.260.3161.8000112.8L44 Q45 V49 L311 W314L44-I47 HydrophobicContact CD2-CD1 4.46Å; L44-I47 CarbonylContact O-C 3.53Å; L44-I47 WeakPolarHBondContact O-CG1 3.33Å; L44-I47 PolarHBondContact O-N 3.31Å; L44-I47 VanDerWaalsContact O-N 3.07Å; Q45-I47 PolarHBondContact O-N 3.5Å; I47-V49 VanDerWaalsContact C-N 3.34Å; I47-V49 HydrophobicContact CD1-CB 4.28Å; I47-V49 HydrophobicContact CD1-CG2 3.63Å; I47-V49 HydrophobicContact CG1-CB 4.19Å; I47-V49 HydrophobicContact CG1-CG2 3.77Å; I47-V49 PolarHBondContact O-N 2.88Å; I47-L311 HydrophobicContact CD1-CD1 3.58Å; I47-L311 HydrophobicContact CD1-CG 3.87Å; I47-L311 HydrophobicContact CG1-CD1 4.37Å; I47-L311 HydrophobicContact CG1-CG 4.32Å; I47-L311 HydrophobicContact CG2-CG 4.11Å; I47-W314 HydrophobicContact CD1-CE3 3.87Å; I47-W314 HydrophobicContact CD1-CZ3 4.14Å
48G96.3Very high97Very high72 Ų7259.3 Ų59.374%0.74231%0.313SS*.THydrogen-bonded Turntrans70.624.7177.700000114.7L44 Q45L44-G48 PolarHBondContact O-N 2.95Å; Q45-G48 PolarHBondContact O-N 3.27Å; Q45-G48 VanDerWaalsContact O-N 3.13Å
49V97.5Very high97.2Very high21 Ų2156.7 Ų56.713%0.12729%0.291CS..  trans-101.1137.2179.5177.80000110.1L44 I47 N55 G316L44-V49 CarbonylContact C-O 3.54Å; L44-V49 HydrophobicContact CB-CB 4.11Å; L44-V49 HydrophobicContact CB-CG1 4.4Å; L44-V49 WeakPolarHBondContact CB-O 3.38Å; L44-V49 HydrophobicContact CD2-CB 4.1Å; L44-V49 HydrophobicContact CD2-CG1 3.92Å; L44-V49 HydrophobicContact CG-CG1 4.5Å; L44-V49 PolarHBondContact O-N 3.12Å; I47-V49 VanDerWaalsContact C-N 3.34Å; I47-V49 HydrophobicContact CD1-CB 4.28Å; I47-V49 HydrophobicContact CD1-CG2 3.63Å; I47-V49 HydrophobicContact CG1-CB 4.19Å; I47-V49 HydrophobicContact CG1-CG2 3.77Å; I47-V49 PolarHBondContact O-N 2.88Å; V49-N55 HydrophobicContact CG1-CB 3.92Å; V49-N55 WeakPolarHBondContact CG1-ND2 3.33Å; V49-G316 VanDerWaalsContact CG2-CA 3.48Å
50E97.6Very high97.3Very high139 Ų13956.6 Ų56.665%0.6529%0.29SS*.  trans-67139.9178-173.2-173.4-159.600111.9N52 N55E50-N52 PolarHBondContact O-N 3.36Å; E50-N52 PolarHBondContact OE2-ND2 3.1Å; E50-N55 PolarHBondContact O-ND2 2.59Å
51N98.1Very high97.4Very high69 Ų6958 Ų5837%0.36930%0.296SS..  trans-8373.1176.9-172.329.5000113T37 G41 R56T37-N51 PolarHBondContact O-ND2 3.24Å; T37-N51 VanDerWaalsContact O-ND2 3.1Å; G41-N51 VanDerWaalsContact CA-ND2 3.32Å; G41-N51 WeakPolarHBondContact CA-ND2 3.38Å; N51-R56 PolarHBondContact O-NH1 2.87Å; N51-R56 PolarHBondContact OD1-NH1 3.32Å
52N98.2Very high97.5Very high49 Ų4957.6 Ų57.626%0.26229%0.292SS..  trans-112.1164.4169.96449.4000111.1E50 E54 N55 R56E50-N52 PolarHBondContact O-N 3.36Å; E50-N52 PolarHBondContact OE2-ND2 3.1Å; N52-E54 VanDerWaalsContact C-N 3.3Å; N52-E54 PolarHBondContact O-N 2.92Å; N52-E54 PolarHBondContact OD1-N 3.37Å; N52-N55 PolarHBondContact ND2-ND2 2.81Å; N52-N55 PolarHBondContact O-N 3.36Å; N52-N55 WeakPolarHBondContact OD1-CB 3.46Å; N52-N55 PolarHBondContact OD1-N 3.12Å; N52-N55 PolarHBondContact OD1-ND2 3.18Å; N52-R56 WeakPolarHBondContact O-CG 3.42Å; N52-R56 PolarHBondContact O-N 2.97Å; N52-R56 PolarHBondContact O-NH1 3.23Å
53E98Very high97.6Very high115 Ų11551.5 Ų51.554%0.53727%0.265SS..Hα-helixtrans-58.4-41.8-176.8-173.7-173.8158.800112.1N55 R56 R57E53-N55 PolarHBondContact O-N 3.31Å; E53-R56 PolarHBondContact O-N 3.48Å; E53-R57 WeakPolarHBondContact O-CB 3.45Å; E53-R57 PolarHBondContact O-N 3.31Å
54E98.3Very high97.8Very high89 Ų8950.5 Ų50.542%0.41626%0.262SS..Hα-helixtrans-63.2-43.9-178.4178.357.5-165.900112.1N52 R56 R57 L58N52-E54 VanDerWaalsContact C-N 3.3Å; N52-E54 PolarHBondContact O-N 2.92Å; N52-E54 PolarHBondContact OD1-N 3.37Å; E54-R56 VanDerWaalsContact C-N 3.31Å; E54-R56 PolarHBondContact O-N 3.47Å; E54-R57 WeakPolarHBondContact O-CB 3.37Å; E54-R57 PolarHBondContact O-N 3.48Å; E54-R57 IonicContact OE1-CZ 3.51Å; E54-R57 IonicContact OE1-NE 3.98Å; E54-R57 PolarHBondContact OE1-NE 3.45Å; E54-R57 IonicContact OE1-NH2 2.75Å; E54-R57 PolarHBondContact OE1-NH2 2.8Å; E54-R57 IonicContact OE2-CZ 3.61Å; E54-R57 IonicContact OE2-NE 3.42Å; E54-R57 PolarHBondContact OE2-NE 3Å; E54-R57 IonicContact OE2-NH2 3.63Å; E54-L58 HydrophobicContact CG-CD1 4.04Å; E54-L58 HydrophobicContact CG-CG 4.39Å; E54-L58 WeakPolarHBondContact O-CB 3.44Å; E54-L58 VanDerWaalsContact O-CG 3.3Å; E54-L58 WeakPolarHBondContact O-CG 3.41Å; E54-L58 PolarHBondContact O-N 3.49Å; E54-L58 WeakPolarHBondContact OE1-CG 3.31Å
55N98.5Very high97.8Very high32 Ų3252.4 Ų52.417%0.17128%0.275CS..Hα-helixtrans-64.5-36.5176.8-74.8-21.8000112.1L44 V49 E50 N52 E53 Y59L44-N55 HydrophobicContact CD1-CB 4.23Å; V49-N55 HydrophobicContact CG1-CB 3.92Å; V49-N55 WeakPolarHBondContact CG1-ND2 3.33Å; E50-N55 PolarHBondContact O-ND2 2.59Å; N52-N55 PolarHBondContact ND2-ND2 2.81Å; N52-N55 PolarHBondContact O-N 3.36Å; N52-N55 WeakPolarHBondContact OD1-CB 3.46Å; N52-N55 PolarHBondContact OD1-N 3.12Å; N52-N55 PolarHBondContact OD1-ND2 3.18Å; E53-N55 PolarHBondContact O-N 3.31Å; N55-Y59 PolarHBondContact O-N 3.47Å; N55-Y59 VanDerWaalsContact O-N 3.15Å
56R98.5Very high97.8Very high24 Ų2445.3 Ų45.39%0.09124%0.242CC..Hα-helixtrans-66.2-46.9173.5-65.4-168.5-63.7-84.7-0.2110.6M40 L44 N51 N52 E53 E54 Y59 R60 E82M40-R56 HydrophobicContact CB-CG 4.31Å; M40-R56 HydrophobicContact CG-CB 4.47Å; M40-R56 HydrophobicContact CG-CG 3.75Å; L44-R56 HydrophobicContact CD1-CG 3.99Å; N51-R56 PolarHBondContact O-NH1 2.87Å; N51-R56 PolarHBondContact OD1-NH1 3.32Å; N52-R56 WeakPolarHBondContact O-CG 3.42Å; N52-R56 PolarHBondContact O-N 2.97Å; N52-R56 PolarHBondContact O-NH1 3.23Å; E53-R56 PolarHBondContact O-N 3.48Å; E54-R56 VanDerWaalsContact C-N 3.31Å; E54-R56 PolarHBondContact O-N 3.47Å; R56-Y59 PolarHBondContact O-N 3.27Å; R56-R60 VanDerWaalsContact O-CG 3.31Å; R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 2.96Å; R56-E82 IonicContact CZ-OE1 3.16Å; R56-E82 IonicContact CZ-OE2 2.75Å; R56-E82 IonicContact NE-OE1 3.43Å; R56-E82 PolarHBondContact NE-OE1 3.32Å; R56-E82 IonicContact NE-OE2 3.53Å; R56-E82 IonicContact NH2-OE1 3.95Å; R56-E82 PolarHBondContact NH2-OE1 3.31Å; R56-E82 IonicContact NH2-OE2 2.74Å; R56-E82 PolarHBondContact NH2-OE2 3.1Å
57R98.4Very high98Very high23 Ų2341.8 Ų41.89%0.08723%0.228CC..Hα-helixtrans-57.6-48.4176.5-171.8-159.373.5752.1112E53 E54 Y59 R60 Q61 Q86 K87 D89E53-R57 WeakPolarHBondContact O-CB 3.45Å; E53-R57 PolarHBondContact O-N 3.31Å; E54-R57 WeakPolarHBondContact O-CB 3.37Å; E54-R57 PolarHBondContact O-N 3.48Å; E54-R57 IonicContact OE1-CZ 3.51Å; E54-R57 IonicContact OE1-NE 3.98Å; E54-R57 PolarHBondContact OE1-NE 3.45Å; E54-R57 IonicContact OE1-NH2 2.75Å; E54-R57 PolarHBondContact OE1-NH2 2.8Å; E54-R57 IonicContact OE2-CZ 3.61Å; E54-R57 IonicContact OE2-NE 3.42Å; E54-R57 PolarHBondContact OE2-NE 3Å; E54-R57 IonicContact OE2-NH2 3.63Å; R57-Y59 VanDerWaalsContact C-N 3.31Å; R57-Y59 PolarHBondContact O-N 3.31Å; R57-R60 PolarHBondContact O-N 3.13Å; R57-R60 VanDerWaalsContact O-N 3.14Å; R57-Q61 PolarHBondContact O-N 3.46Å; R57-Q86 HydrophobicContact CB-CG 4.2Å; R57-Q86 HydrophobicContact CG-CB 4.06Å; R57-Q86 HydrophobicContact CG-CG 3.95Å; R57-K87 VanDerWaalsContact CD-O 3.24Å; R57-K87 WeakPolarHBondContact CD-O 3.19Å; R57-K87 PolarHBondContact NH1-O 2.64Å; R57-D89 IonicContact CZ-OD1 3.34Å; R57-D89 IonicContact NH1-OD1 3.35Å; R57-D89 PolarHBondContact NH1-OD1 3.35Å; R57-D89 VanDerWaalsContact NH1-OD1 3.16Å; R57-D89 IonicContact NH2-OD1 2.73Å; R57-D89 PolarHBondContact NH2-OD1 3.28Å
58L98.6Very high97.9Very high55 Ų5545.2 Ų45.229%0.28824%0.243SC..Hα-helixtrans-58.5-42.5177.6-76.7169.9000111.7E54 Q61 L62 W314E54-L58 HydrophobicContact CG-CD1 4.04Å; E54-L58 HydrophobicContact CG-CG 4.39Å; E54-L58 WeakPolarHBondContact O-CB 3.44Å; E54-L58 VanDerWaalsContact O-CG 3.3Å; E54-L58 WeakPolarHBondContact O-CG 3.41Å; E54-L58 PolarHBondContact O-N 3.49Å; E54-L58 WeakPolarHBondContact OE1-CG 3.31Å; L58-Q61 PolarHBondContact O-N 2.99Å; L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 PolarHBondContact O-N 3.22Å; L58-W314 HydrophobicContact CB-CZ2 4.2Å
59Y98.7Very high97.9Very high0 Ų047.6 Ų47.60%023%0.233CC..Hα-helixtrans-65.9-40.3176.1-174.8-117.2000112.2M40 N55 R56 R57 L62 L63 Q307 V310 L311 W314M40-Y59 HydrophobicContact CE-CD1 3.53Å; M40-Y59 HydrophobicContact CE-CE1 3.81Å; M40-Y59 HydrophobicContact CE-CG 4.24Å; M40-Y59 HydrophobicContact SD-CD1 3.99Å; M40-Y59 HydrophobicContact SD-CE1 4.24Å; N55-Y59 PolarHBondContact O-N 3.47Å; N55-Y59 VanDerWaalsContact O-N 3.15Å; R56-Y59 PolarHBondContact O-N 3.27Å; R57-Y59 VanDerWaalsContact C-N 3.31Å; R57-Y59 PolarHBondContact O-N 3.31Å; Y59-L62 WeakPolarHBondContact O-CB 3.4Å; Y59-L62 PolarHBondContact O-N 3.2Å; Y59-L63 HydrophobicContact CD1-CD1 4.22Å; Y59-L63 HydrophobicContact CE1-CD1 3.79Å; Y59-L63 HydrophobicContact CE1-CG 4.41Å; Y59-L63 WeakPolarHBondContact O-CG 3.39Å; Y59-L63 PolarHBondContact O-N 3Å; Y59-L63 VanDerWaalsContact O-N 3.1Å; Y59-Q307 WeakPolarHBondContact OH-CB 3.38Å; Y59-Q307 PolarHBondContact OH-O 2.87Å; Y59-Q307 PolarHBondContact OH-OE1 3.37Å; Y59-V310 HydrophobicContact CE2-CG1 4.17Å; Y59-L311 HydrophobicContact CD2-CD1 4.02Å; Y59-L311 HydrophobicContact CE1-CD1 4.3Å; Y59-L311 HydrophobicContact CE2-CB 4.25Å; Y59-L311 HydrophobicContact CE2-CD1 3.66Å; Y59-L311 HydrophobicContact CG-CD1 4.48Å; Y59-W314 HydrophobicContact CD2-CD2 4.09Å; Y59-W314 AromaticContact CD2-CE3 3.45Å; Y59-W314 HydrophobicContact CD2-CE3 3.45Å; Y59-W314 VanDerWaalsContact CD2-CE3 3.45Å; Y59-W314 HydrophobicContact CD2-CH2 4.41Å; Y59-W314 AromaticContact CD2-CZ3 3.64Å; Y59-W314 HydrophobicContact CD2-CZ3 3.64Å; Y59-W314 HydrophobicContact CE2-CE3 4.15Å; Y59-W314 HydrophobicContact CG-CE3 4.22Å; Y59-W314 AromaticContact CG-CZ3 3.93Å; Y59-W314 HydrophobicContact CG-CZ3 3.93Å
60R98.5Very high98Very high4 Ų446.8 Ų46.82%0.01523%0.228CC..Hα-helixtrans-65.5-44.4175.1-63.7-62.5-173.4-142.1-2.1112.1A33 E35 R56 R57 L62 L63 F64 T83 L94A33-R60 PolarHBondContact O-NE 3.4Å; A33-R60 PolarHBondContact O-NH1 3.36Å; A33-R60 PolarHBondContact O-NH2 3.07Å; E35-R60 IonicContact OE2-CZ 3.55Å; E35-R60 IonicContact OE2-NH1 2.66Å; E35-R60 PolarHBondContact OE2-NH1 2.99Å; E35-R60 IonicContact OE2-NH2 2.66Å; E35-R60 PolarHBondContact OE2-NH2 3.1Å; R56-R60 VanDerWaalsContact O-CG 3.31Å; R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 2.96Å; R57-R60 PolarHBondContact O-N 3.13Å; R57-R60 VanDerWaalsContact O-N 3.14Å; R60-L62 VanDerWaalsContact C-N 3.32Å; R60-L62 PolarHBondContact O-N 3.29Å; R60-L63 PolarHBondContact O-N 3.35Å; R60-F64 HydrophobicContact CB-CD2 4.42Å; R60-F64 HydrophobicContact CB-CE2 3.94Å; R60-F64 HydrophobicContact CB-CZ 4.25Å; R60-F64 WeakPolarHBondContact O-CB 3.48Å; R60-F64 WeakPolarHBondContact O-CD1 3.34Å; R60-F64 WeakPolarHBondContact O-CD2 3.49Å; R60-F64 WeakPolarHBondContact O-CG 3.12Å; R60-F64 PolarHBondContact O-N 3.22Å; R60-T83 HydrophobicContact CB-CG2 4Å; R60-T83 HydrophobicContact CG-CG2 3.67Å; R60-T83 PolarHBondContact NE-OG1 2.77Å; R60-L94 HydrophobicContact CB-CD1 3.7Å
61Q98.5Very high98Very high29 Ų2940.8 Ų40.814%0.13620%0.202CC..Hα-helixtrans-58.8-45.2173.8-179.3-179.5-42.900110.5R57 L58 L63 F64 S65 D89 L94R57-Q61 PolarHBondContact O-N 3.46Å; L58-Q61 PolarHBondContact O-N 2.99Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 2.94Å; Q61-F64 PolarHBondContact O-N 2.79Å; Q61-S65 WeakPolarHBondContact O-CB 3.42Å; Q61-S65 PolarHBondContact O-N 2.66Å; Q61-S65 PolarHBondContact O-OG 3.22Å; Q61-D89 VanDerWaalsContact NE2-CG 3.27Å; Q61-D89 PolarHBondContact NE2-OD2 3.16Å; Q61-D89 VanDerWaalsContact OE1-CG 3.27Å; Q61-D89 PolarHBondContact OE1-OD1 3.33Å; Q61-L94 HydrophobicContact CB-CD2 4.45Å
62L98.5Very high98Very high3 Ų343.4 Ų43.42%0.01621%0.212CC..Hα-helixtrans-52.3-50.7175.5176.6164.5000111.2L58 Y59 R60 F64 A66 V310 W314 V321 A324 Q325L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 PolarHBondContact O-N 3.22Å; Y59-L62 WeakPolarHBondContact O-CB 3.4Å; Y59-L62 PolarHBondContact O-N 3.2Å; R60-L62 VanDerWaalsContact C-N 3.32Å; R60-L62 PolarHBondContact O-N 3.29Å; L62-F64 PolarHBondContact O-N 3.3Å; L62-A66 PolarHBondContact O-N 3.4Å; L62-V310 HydrophobicContact CD2-CG1 3.65Å; L62-W314 HydrophobicContact CD1-CB 3.9Å; L62-W314 HydrophobicContact CD1-CD2 3.95Å; L62-W314 HydrophobicContact CD1-CG 3.43Å; L62-W314 VanDerWaalsContact CD1-CG 3.43Å; L62-V321 HydrophobicContact CD1-CB 4.45Å; L62-V321 HydrophobicContact CD1-CG1 4.44Å; L62-V321 HydrophobicContact CD1-CG2 4.19Å; L62-V321 HydrophobicContact CG-CG1 4.18Å; L62-A324 HydrophobicContact CD1-CB 3.92Å; L62-A324 HydrophobicContact CD2-CB 4.08Å; L62-A324 HydrophobicContact CG-CB 4.47Å; L62-Q325 HydrophobicContact CD2-CG 4.09Å; L62-Q325 HydrophobicContact CG-CG 4.2Å; L62-Q325 WeakPolarHBondContact O-CG 3.43Å; L62-Q325 PolarHBondContact O-NE2 3.15Å
63L98.6Very high98Very high0 Ų042.3 Ų42.30%021%0.206CC..Hα-helixtrans-60.8-45178.7-65.8172.6000111.9L31 A33 Y59 R60 Q61 Q307 V310 L328L31-L63 HydrophobicContact CD2-CB 4.33Å; A33-L63 HydrophobicContact CB-CD1 4.49Å; Y59-L63 HydrophobicContact CD1-CD1 4.22Å; Y59-L63 HydrophobicContact CE1-CD1 3.79Å; Y59-L63 HydrophobicContact CE1-CG 4.41Å; Y59-L63 WeakPolarHBondContact O-CG 3.39Å; Y59-L63 PolarHBondContact O-N 3Å; Y59-L63 VanDerWaalsContact O-N 3.1Å; R60-L63 PolarHBondContact O-N 3.35Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 2.94Å; L63-Q307 HydrophobicContact CD1-CG 4.46Å; L63-Q307 HydrophobicContact CD2-CG 4.48Å; L63-V310 HydrophobicContact CD2-CG1 3.81Å; L63-L328 HydrophobicContact CB-CD2 4.36Å; L63-L328 HydrophobicContact CD2-CD1 4.43Å; L63-L328 HydrophobicContact CD2-CD2 3.9Å; L63-L328 WeakPolarHBondContact O-CD2 3.37Å
64F98.4Very high98Very high1 Ų136.9 Ų36.90%0.00418%0.181CC..Hα-helixtrans-87.9-16.4-168.9-53.5-16.1000113.6L31 A33 R60 Q61 L62 V77 L79 T83 L94 L97 L98 R101L31-F64 HydrophobicContact CD2-CE1 4.32Å; A33-F64 HydrophobicContact CB-CE1 3.95Å; A33-F64 HydrophobicContact CB-CZ 3.91Å; R60-F64 HydrophobicContact CB-CD2 4.42Å; R60-F64 HydrophobicContact CB-CE2 3.94Å; R60-F64 HydrophobicContact CB-CZ 4.25Å; R60-F64 WeakPolarHBondContact O-CB 3.48Å; R60-F64 WeakPolarHBondContact O-CD1 3.34Å; R60-F64 WeakPolarHBondContact O-CD2 3.49Å; R60-F64 WeakPolarHBondContact O-CG 3.12Å; R60-F64 PolarHBondContact O-N 3.22Å; Q61-F64 PolarHBondContact O-N 2.79Å; L62-F64 PolarHBondContact O-N 3.3Å; F64-V77 HydrophobicContact CD1-CG1 4.43Å; F64-V77 HydrophobicContact CE1-CG1 3.57Å; F64-V77 HydrophobicContact CE1-CG2 4.49Å; F64-V77 HydrophobicContact CZ-CG1 3.8Å; F64-L79 HydrophobicContact CE2-CD2 3.62Å; F64-L79 HydrophobicContact CZ-CD2 3.5Å; F64-T83 HydrophobicContact CE2-CG2 3.81Å; F64-T83 HydrophobicContact CZ-CG2 4.26Å; F64-L94 HydrophobicContact CD2-CB 3.97Å; F64-L94 HydrophobicContact CD2-CD1 4.25Å; F64-L94 HydrophobicContact CD2-CD2 4.24Å; F64-L94 HydrophobicContact CD2-CG 4.38Å; F64-L94 HydrophobicContact CE2-CB 4.15Å; F64-L94 HydrophobicContact CE2-CD1 4.14Å; F64-L97 HydrophobicContact CB-CD2 3.87Å; F64-L97 HydrophobicContact CB-CG 4.39Å; F64-L98 HydrophobicContact CB-CD2 3.87Å; F64-L98 HydrophobicContact CB-CG 4.27Å; F64-L98 HydrophobicContact CD1-CD2 3.89Å; F64-L98 HydrophobicContact CD2-CD1 4.2Å; F64-L98 HydrophobicContact CD2-CD2 4.39Å; F64-L98 HydrophobicContact CD2-CG 4.22Å; F64-L98 HydrophobicContact CE2-CD1 4.28Å; F64-L98 HydrophobicContact CG-CD1 4.38Å; F64-L98 HydrophobicContact CG-CD2 3.78Å; F64-L98 HydrophobicContact CG-CG 4.1Å; F64-R101 WeakPolarHBondContact O-CD 3.34Å
65S97.4Very high98.1Very high39 Ų3932.8 Ų32.827%0.27316%0.162SC..THydrogen-bonded Turntrans-97.87.8175.265.20000113.5Q61 Q325Q61-S65 WeakPolarHBondContact O-CB 3.42Å; Q61-S65 PolarHBondContact O-N 2.66Å; Q61-S65 PolarHBondContact O-OG 3.22Å; S65-Q325 VanDerWaalsContact C-NE2 3.27Å; S65-Q325 PolarHBondContact O-NE2 3.13Å; S65-Q325 PolarHBondContact OG-NE2 2.88Å; S65-Q325 VanDerWaalsContact OG-NE2 3.12Å
66A97.5Very high98.1Very high1 Ų131.3 Ų31.31%0.00815%0.154CC..SBendtrans-55.9162.8168.100000110.9L62 L70 Q325 L328L62-A66 PolarHBondContact O-N 3.4Å; A66-L70 HydrophobicContact CB-CD2 4.3Å; A66-Q325 HydrophobicContact CB-CB 4.08Å; A66-Q325 HydrophobicContact CB-CG 3.97Å; A66-L328 HydrophobicContact CB-CD2 4.24Å
67D96.8Very high98.1Very high79 Ų7930.1 Ų30.142%0.42215%0.15SC..  trans-50.3147.7-179.2-171-81.4000112K69 L70 L329D67-K69 PolarHBondContact O-N 3.44Å; D67-K69 WeakPolarHBondContact OD1-CB 3.43Å; D67-K69 WeakPolarHBondContact OD1-CD 3.47Å; D67-K69 WeakPolarHBondContact OD1-CG 3.29Å; D67-K69 PolarHBondContact OD1-N 2.85Å; D67-L70 WeakPolarHBondContact O-CB 3.42Å; D67-L70 PolarHBondContact O-N 2.75Å; D67-L329 HydrophobicContact CB-CD1 3.87Å
68H95Very high98.1Very high106 Ų10629 Ų2949%0.49115%0.146SC..G310 helixtrans-55-23179.9-78.8-88.9000113.4L70 A71 R101H68-L70 PolarHBondContact O-N 3.23Å; H68-L70 VanDerWaalsContact O-N 3.09Å; H68-A71 WeakPolarHBondContact O-CB 3.34Å; H68-A71 PolarHBondContact O-N 3.49Å; H68-R101 PolarHBondContact CE1-NH1 3.41Å; H68-R101 PolarHBondContact NE2-NH2 3.07Å
69K96.5Very high98.1Very high121 Ų12126.4 Ų26.453%0.52613%0.132SC..G310 helixtrans-53.1-23.6169.7-73.9168.8-175.4170.80113.9D67 A71 E72 L329D67-K69 PolarHBondContact O-N 3.44Å; D67-K69 WeakPolarHBondContact OD1-CB 3.43Å; D67-K69 WeakPolarHBondContact OD1-CD 3.47Å; D67-K69 WeakPolarHBondContact OD1-CG 3.29Å; D67-K69 PolarHBondContact OD1-N 2.85Å; K69-A71 PolarHBondContact O-N 3.06Å; K69-E72 VanDerWaalsContact O-CB 3.23Å; K69-E72 WeakPolarHBondContact O-CB 3.46Å; K69-E72 WeakPolarHBondContact O-CG 3.29Å; K69-E72 PolarHBondContact O-N 3.43Å; K69-L329 HydrophobicContact CB-CD2 4.25Å
70L98.5Very high98.1Very high5 Ų528.6 Ų28.63%0.02614%0.141CC..G310 helixtrans-53.4-37.8174.1-174.665000111.6A66 D67 H68 E72 N73 I74 I103 L328 L329 A332A66-L70 HydrophobicContact CB-CD2 4.3Å; D67-L70 WeakPolarHBondContact O-CB 3.42Å; D67-L70 PolarHBondContact O-N 2.75Å; H68-L70 PolarHBondContact O-N 3.23Å; H68-L70 VanDerWaalsContact O-N 3.09Å; L70-E72 PolarHBondContact O-N 2.98Å; L70-N73 PolarHBondContact O-N 3.31Å; L70-I74 HydrophobicContact CD1-CB 4.37Å; L70-I74 HydrophobicContact CD1-CG1 3.57Å; L70-I74 HydrophobicContact CG-CB 4.17Å; L70-I74 HydrophobicContact CG-CG1 3.93Å; L70-I74 WeakPolarHBondContact O-CB 3.41Å; L70-I74 PolarHBondContact O-N 3.49Å; L70-I103 HydrophobicContact CB-CD1 4.48Å; L70-I103 HydrophobicContact CD2-CD1 3.96Å; L70-I103 HydrophobicContact CG-CD1 4.12Å; L70-L328 HydrophobicContact CD1-CD1 4.45Å; L70-L328 HydrophobicContact CD1-CD2 3.93Å; L70-L328 HydrophobicContact CD1-CG 3.83Å; L70-L328 HydrophobicContact CD2-CD2 4.01Å; L70-L329 HydrophobicContact CB-CD2 3.92Å; L70-L329 HydrophobicContact CD1-CD2 4.31Å; L70-A332 HydrophobicContact CD1-CB 3.89Å
71A98.1Very high98.1Very high13 Ų1332.2 Ų32.211%0.10716%0.159CC..G310 helixtrans-70.1-10.7-179.500000113.9K28 H68 K69 N73 I74 R101 I103K28-A71 WeakPolarHBondContact CE-O 3.35Å; K28-A71 PolarHBondContact NZ-O 2.85Å; H68-A71 WeakPolarHBondContact O-CB 3.34Å; H68-A71 PolarHBondContact O-N 3.49Å; K69-A71 PolarHBondContact O-N 3.06Å; A71-N73 VanDerWaalsContact C-N 3.27Å; A71-I74 WeakPolarHBondContact CA-O 3.4Å; A71-R101 WeakPolarHBondContact CB-O 3.47Å; A71-I103 HydrophobicContact CB-CD1 4.3Å; A71-I103 HydrophobicContact CB-CG1 3.91Å
72E98.3Very high98Very high123 Ų12333 Ų3358%0.57516%0.162SC*.G310 helixtrans-69.3-28.3172.5-62.9176.5-169.600111.5K28 K69 L70K28-E72 WeakPolarHBondContact CG-O 3.37Å; K69-E72 VanDerWaalsContact O-CB 3.23Å; K69-E72 WeakPolarHBondContact O-CB 3.46Å; K69-E72 WeakPolarHBondContact O-CG 3.29Å; K69-E72 PolarHBondContact O-N 3.43Å; L70-E72 PolarHBondContact O-N 2.98Å
73N98.6Very high98Very high27 Ų2733 Ų3314%0.14416%0.162CC..THydrogen-bonded Turntrans-128-8.4-177.2-57.1117.5000114.7G27 K28 G29 L70 A71 F300 A332 K333G27-N73 WeakPolarHBondContact O-CA 3.44Å; G27-N73 PolarHBondContact O-ND2 3.48Å; K28-N73 CarbonylContact C-O 2.98Å; K28-N73 VanDerWaalsContact CA-O 3.24Å; K28-N73 WeakPolarHBondContact CA-O 3.46Å; G29-N73 PolarHBondContact N-O 3.42Å; L70-N73 PolarHBondContact O-N 3.31Å; A71-N73 VanDerWaalsContact C-N 3.27Å; N73-F300 WeakPolarHBondContact O-CZ 3.4Å; N73-A332 HydrophobicContact CB-CB 4.07Å; N73-A332 WeakPolarHBondContact CB-O 3.43Å; N73-K333 WeakPolarHBondContact OD1-CA 3.39Å
74I98.8Very high98Very high0 Ų033.2 Ų33.20%016%0.163CC..EExtended strand (participates in β ladder)trans-115.7117.1172.2-55.8-60.9000108.9G29 L31 L70 A71 G76 V77 I103 F300 L306 A332G29-I74 CarbonylContact O-C 3.57Å; G29-I74 WeakPolarHBondContact O-CA 3.35Å; L31-I74 HydrophobicContact CB-CD1 4.41Å; L31-I74 HydrophobicContact CB-CG2 4.11Å; L70-I74 HydrophobicContact CD1-CB 4.37Å; L70-I74 HydrophobicContact CD1-CG1 3.57Å; L70-I74 HydrophobicContact CG-CB 4.17Å; L70-I74 HydrophobicContact CG-CG1 3.93Å; L70-I74 WeakPolarHBondContact O-CB 3.41Å; L70-I74 PolarHBondContact O-N 3.49Å; A71-I74 WeakPolarHBondContact CA-O 3.4Å; I74-G76 VanDerWaalsContact CG2-O 3.25Å; I74-G76 WeakPolarHBondContact CG2-O 3.39Å; I74-V77 HydrophobicContact CG2-CG2 4.31Å; I74-I103 HydrophobicContact CG2-CG2 4.04Å; I74-F300 HydrophobicContact CD1-CE2 3.67Å; I74-F300 HydrophobicContact CD1-CZ 4.09Å; I74-L306 HydrophobicContact CD1-CD1 4.05Å; I74-A332 HydrophobicContact CD1-CB 4.14Å; I74-A332 HydrophobicContact CG1-CB 4.02Å
75S98.7Very high98Very high4 Ų438.2 Ų38.23%0.02819%0.187CC..EExtended strand (participates in β ladder)trans-94.4-25.1176.655.20000112.6I23 G29 I104I23-S75 WeakPolarHBondContact CA-OG 3.4Å; I23-S75 VanDerWaalsContact O-CB 3.32Å; I23-S75 WeakPolarHBondContact O-CB 3.17Å; I23-S75 PolarHBondContact O-OG 3.14Å; G29-S75 PolarHBondContact O-N 2.88Å; G29-S75 PolarHBondContact O-OG 3.15Å; S75-I104 WeakPolarHBondContact O-CB 3.33Å; S75-I104 WeakPolarHBondContact O-CG1 3.33Å; S75-I104 PolarHBondContact O-N 3.28Å
76G98.9Very high98Very high0 Ų036.7 Ų36.70%018%0.175CC..EExtended strand (participates in β ladder)trans-149.3158.2179.300000113.9I30 L31 I74 I104I30-G76 VanDerWaalsContact CA-O 3.31Å; I30-G76 WeakPolarHBondContact CA-O 3.37Å; I30-G76 WeakPolarHBondContact CG2-O 3.44Å; L31-G76 PolarHBondContact N-O 3.24Å; I74-G76 VanDerWaalsContact CG2-O 3.25Å; I74-G76 WeakPolarHBondContact CG2-O 3.39Å; G76-I104 CarbonylContact C-O 3.49Å; G76-I104 WeakPolarHBondContact CA-O 3.46Å
77V98.9Very high98.1Very high0 Ų042.4 Ų42.40%020%0.2CC..EExtended strand (participates in β ladder)trans-126.3130.3171.8-176.10000109.9L31 A33 F64 I74 L79 L98 I103 I104 G106L31-V77 HydrophobicContact CB-CG1 4.46Å; L31-V77 HydrophobicContact CB-CG2 4.16Å; L31-V77 HydrophobicContact CD2-CG1 4.44Å; L31-V77 HydrophobicContact CD2-CG2 4.39Å; L31-V77 HydrophobicContact CG-CG1 4.37Å; L31-V77 CarbonylContact O-C 3.51Å; L31-V77 VanDerWaalsContact O-CA 3.23Å; L31-V77 WeakPolarHBondContact O-CA 3.36Å; L31-V77 WeakPolarHBondContact O-CG1 3.41Å; A33-V77 HydrophobicContact CB-CG1 3.76Å; F64-V77 HydrophobicContact CD1-CG1 4.43Å; F64-V77 HydrophobicContact CE1-CG1 3.57Å; F64-V77 HydrophobicContact CE1-CG2 4.49Å; F64-V77 HydrophobicContact CZ-CG1 3.8Å; I74-V77 HydrophobicContact CG2-CG2 4.31Å; V77-L79 HydrophobicContact CB-CD2 4.45Å; V77-L79 HydrophobicContact CG1-CD2 3.79Å; V77-L98 HydrophobicContact CB-CD1 3.77Å; V77-L98 HydrophobicContact CB-CD2 4.3Å; V77-L98 HydrophobicContact CG1-CD1 4.27Å; V77-L98 HydrophobicContact CG2-CD1 4Å; V77-L98 HydrophobicContact CG2-CD2 3.57Å; V77-L98 HydrophobicContact CG2-CG 4.43Å; V77-I103 HydrophobicContact CG2-CG2 3.64Å; V77-I104 PolarHBondContact N-O 3.09Å; V77-G106 PolarHBondContact O-N 2.98Å
78I98.9Very high98.1Very high0 Ų039.2 Ų39.20%018%0.184CC..EExtended strand (participates in β ladder)trans-86.9122.6171.7-34.6-166.1000108.2I30 L31 A32 A33 D34 K108 F145 K147 I186I30-I78 HydrophobicContact CG2-CD1 3.89Å; I30-I78 HydrophobicContact CG2-CG1 3.43Å; I30-I78 VanDerWaalsContact CG2-CG1 3.43Å; L31-I78 PolarHBondContact O-N 2.81Å; A32-I78 HydrophobicContact CB-CD1 4.22Å; A32-I78 HydrophobicContact CB-CG1 4.3Å; A33-I78 CarbonylContact C-O 3.55Å; A33-I78 VanDerWaalsContact CA-O 3.23Å; A33-I78 WeakPolarHBondContact CA-O 3.32Å; A33-I78 PolarHBondContact N-O 2.8Å; D34-I78 HydrophobicContact CB-CB 4.02Å; D34-I78 HydrophobicContact CB-CG2 3.75Å; D34-I78 PolarHBondContact N-O 3.14Å; I78-K108 HydrophobicContact CG2-CB 4.41Å; I78-F145 HydrophobicContact CD1-CE2 4.36Å; I78-F145 HydrophobicContact CG1-CE2 3.89Å; I78-F145 HydrophobicContact CG1-CZ 4.32Å; I78-K147 HydrophobicContact CD1-CB 4.12Å; I78-K147 HydrophobicContact CD1-CD 3.51Å; I78-K147 HydrophobicContact CD1-CG 3.96Å; I78-K147 HydrophobicContact CG2-CB 3.86Å; I78-K147 HydrophobicContact CG2-CD 4.19Å; I78-I186 HydrophobicContact CD1-CD1 4.17Å
79L98.8Very high98.3Very high0 Ų039.4 Ų39.40%019%0.188CC..EExtended strand (participates in β ladder)trans-99.2159.3179.7-54.4179.7000110.9D34 F64 V77 T83 L84 P95 L98 P105 G106 I107 K108D34-L79 WeakPolarHBondContact CB-O 3.32Å; F64-L79 HydrophobicContact CE2-CD2 3.62Å; F64-L79 HydrophobicContact CZ-CD2 3.5Å; V77-L79 HydrophobicContact CB-CD2 4.45Å; V77-L79 HydrophobicContact CG1-CD2 3.79Å; L79-T83 HydrophobicContact CD2-CG2 3.95Å; L79-L84 HydrophobicContact CD1-CD1 4.16Å; L79-P95 HydrophobicContact CD1-CB 4.49Å; L79-P95 HydrophobicContact CD1-CG 3.82Å; L79-L98 HydrophobicContact CD1-CD1 4.45Å; L79-L98 HydrophobicContact CD2-CD1 3.99Å; L79-P105 HydrophobicContact CD1-CB 4.41Å; L79-G106 WeakPolarHBondContact CB-O 3.42Å; L79-G106 WeakPolarHBondContact CG-O 3.42Å; L79-G106 PolarHBondContact N-O 2.88Å; L79-I107 HydrophobicContact CB-CD1 4.41Å; L79-I107 WeakPolarHBondContact O-CD1 3.43Å; L79-K108 PolarHBondContact O-N 2.99Å
80F98.2Very high98.2Very high45 Ų4538.1 Ų38.120%0.19719%0.188CC..PPolyproline II helixtrans-95.1156.7161.2-173.2-114.3000109.6T37 E82 T83 L84T37-F80 HydrophobicContact CG2-CE1 4.1Å; F80-E82 VanDerWaalsContact C-N 3.33Å; F80-E82 HydrophobicContact CD1-CB 3.9Å; F80-E82 HydrophobicContact CE1-CB 4.18Å; F80-E82 PolarHBondContact O-N 2.91Å; F80-T83 WeakPolarHBondContact O-CA 3.38Å; F80-T83 WeakPolarHBondContact O-CB 3.41Å; F80-T83 PolarHBondContact O-N 3.35Å; F80-L84 PolarHBondContact O-N 2.75Å
81E97.7Very high98.1Very high81 Ų8140 Ų4038%0.37921%0.207SC..Hα-helixtrans-58.1-40.5-174.5-172.5162.1-135.600113T83 L84 H85 Y138E81-T83 VanDerWaalsContact C-N 3.3Å; E81-T83 PolarHBondContact O-N 3.47Å; E81-L84 VanDerWaalsContact O-CB 3.29Å; E81-L84 WeakPolarHBondContact O-CB 3.23Å; E81-L84 PolarHBondContact O-N 3.44Å; E81-L84 VanDerWaalsContact O-N 3.15Å; E81-H85 PolarHBondContact O-CD2 2.89Å; E81-H85 VanDerWaalsContact O-CD2 3.22Å; E81-Y138 HydrophobicContact CG-CE1 4.49Å; E81-Y138 WeakPolarHBondContact OE1-CE1 3.04Å; E81-Y138 PolarHBondContact OE1-OH 2.93Å
82E97.8Very high98.1Very high44 Ų4442.8 Ų42.821%0.20622%0.217CC..Hα-helixtrans-58-43.1172.8-172.9-173.885.300111.8T37 R56 F80 L84 H85 Q86T37-E82 WeakPolarHBondContact CG2-OE2 3.48Å; R56-E82 IonicContact CZ-OE1 3.16Å; R56-E82 IonicContact CZ-OE2 2.75Å; R56-E82 IonicContact NE-OE1 3.43Å; R56-E82 PolarHBondContact NE-OE1 3.32Å; R56-E82 IonicContact NE-OE2 3.53Å; R56-E82 IonicContact NH2-OE1 3.95Å; R56-E82 PolarHBondContact NH2-OE1 3.31Å; R56-E82 IonicContact NH2-OE2 2.74Å; R56-E82 PolarHBondContact NH2-OE2 3.1Å; F80-E82 VanDerWaalsContact C-N 3.33Å; F80-E82 HydrophobicContact CD1-CB 3.9Å; F80-E82 HydrophobicContact CE1-CB 4.18Å; F80-E82 PolarHBondContact O-N 2.91Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 2.67Å; E82-H85 PolarHBondContact O-N 2.71Å; E82-Q86 WeakPolarHBondContact O-CG 3.4Å; E82-Q86 PolarHBondContact O-N 2.96Å; E82-Q86 PolarHBondContact OE1-NE2 3Å
83T98.3Very high98.1Very high3 Ų339.2 Ų39.22%0.01820%0.204CC..Hα-helixtrans-67.6-29.5179.2-54.50000112.4R60 F64 L79 F80 E81 H85 Q86 L94R60-T83 HydrophobicContact CB-CG2 4Å; R60-T83 HydrophobicContact CG-CG2 3.67Å; R60-T83 PolarHBondContact NE-OG1 2.77Å; F64-T83 HydrophobicContact CE2-CG2 3.81Å; F64-T83 HydrophobicContact CZ-CG2 4.26Å; L79-T83 HydrophobicContact CD2-CG2 3.95Å; F80-T83 WeakPolarHBondContact O-CA 3.38Å; F80-T83 WeakPolarHBondContact O-CB 3.41Å; F80-T83 PolarHBondContact O-N 3.35Å; E81-T83 VanDerWaalsContact C-N 3.3Å; E81-T83 PolarHBondContact O-N 3.47Å; T83-H85 PolarHBondContact O-N 2.63Å; T83-Q86 PolarHBondContact O-N 2.98Å; T83-L94 HydrophobicContact CG2-CD1 3.65Å
84L98.3Very high98Very high5 Ų537.9 Ų37.93%0.02620%0.197CC..Hα-helixtrans-61.8-34.8177-173.469.8000112L79 F80 E81 E82 P95 I107 Y138 L141 C143L79-L84 HydrophobicContact CD1-CD1 4.16Å; F80-L84 PolarHBondContact O-N 2.75Å; E81-L84 VanDerWaalsContact O-CB 3.29Å; E81-L84 WeakPolarHBondContact O-CB 3.23Å; E81-L84 PolarHBondContact O-N 3.44Å; E81-L84 VanDerWaalsContact O-N 3.15Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 2.67Å; L84-P95 HydrophobicContact CD1-CG 3.62Å; L84-I107 HydrophobicContact CD2-CD1 4.38Å; L84-Y138 HydrophobicContact CD2-CD1 3.45Å; L84-Y138 VanDerWaalsContact CD2-CD1 3.45Å; L84-Y138 HydrophobicContact CD2-CE1 3.91Å; L84-Y138 HydrophobicContact CD2-CG 4.44Å; L84-L141 HydrophobicContact CD1-CB 4.36Å; L84-L141 HydrophobicContact CD2-CB 4.31Å; L84-L141 HydrophobicContact CD2-CD1 3.56Å; L84-L141 HydrophobicContact CG-CB 4.44Å; L84-L141 HydrophobicContact CG-CD1 4.12Å; L84-C143 VanDerWaalsContact CD1-SG 3.53Å
85H97.8Very high98Very high107 Ų10738.1 Ų38.150%0.49520%0.199SC..Hα-helixtrans-96.1-10.9-177.8-62.8-68.5000113.9E81 E82 T83E81-H85 PolarHBondContact O-CD2 2.89Å; E81-H85 VanDerWaalsContact O-CD2 3.22Å; E82-H85 PolarHBondContact O-N 2.71Å; T83-H85 PolarHBondContact O-N 2.63Å
86Q98.4Very high98Very high6 Ų640.9 Ų40.93%0.02822%0.215CC..  trans-68.5153.1177-85.7170.4-6.100112.6R57 E82 T83 L94R57-Q86 HydrophobicContact CB-CG 4.2Å; R57-Q86 HydrophobicContact CG-CB 4.06Å; R57-Q86 HydrophobicContact CG-CG 3.95Å; E82-Q86 WeakPolarHBondContact O-CG 3.4Å; E82-Q86 PolarHBondContact O-N 2.96Å; E82-Q86 PolarHBondContact OE1-NE2 3Å; T83-Q86 PolarHBondContact O-N 2.98Å; Q86-L94 HydrophobicContact CB-CD1 3.69Å; Q86-L94 HydrophobicContact CB-CG 4.19Å; Q86-L94 PolarHBondContact O-N 3.1Å; Q86-L94 VanDerWaalsContact O-N 3.09Å
87K98.6Very high97.9Very high121 Ų12141.2 Ų41.253%0.52622%0.217SC..BIsolated β-bridgetrans-117148.2176.9-66.2178.3176.5-174.20111.6R57 G91 K92R57-K87 VanDerWaalsContact CD-O 3.24Å; R57-K87 WeakPolarHBondContact CD-O 3.19Å; R57-K87 PolarHBondContact NH1-O 2.64Å; K87-G91 WeakPolarHBondContact CD-O 3.49Å; K87-K92 CarbonylContact C-O 3.55Å; K87-K92 WeakPolarHBondContact CA-O 3.34Å; K87-K92 WeakPolarHBondContact CB-O 3.36Å
88S97.7Very high97.9Very high13 Ų1341.2 Ų41.29%0.09122%0.217CC..  trans-70.1162.4166.5143.30000110.1D90 G91 K92S88-D90 VanDerWaalsContact CB-OD1 3.31Å; S88-D90 WeakPolarHBondContact CB-OD1 3.39Å; S88-D90 PolarHBondContact O-N 2.96Å; S88-D90 VanDerWaalsContact O-N 3.14Å; S88-D90 VanDerWaalsContact OG-CG 3.23Å; S88-D90 PolarHBondContact OG-N 3Å; S88-D90 PolarHBondContact OG-OD1 3.43Å; S88-G91 WeakPolarHBondContact O-CA 3.46Å; S88-G91 PolarHBondContact O-N 3Å; S88-K92 PolarHBondContact N-O 3.15Å
89D97.6Very high97.9Very high109 Ų10943.7 Ų43.758%0.58324%0.238SC*.THydrogen-bonded Turntrans-56.8-26.6177.4-64.1-22.2000112.8R57 Q61 G91R57-D89 IonicContact CZ-OD1 3.34Å; R57-D89 IonicContact NH1-OD1 3.35Å; R57-D89 PolarHBondContact NH1-OD1 3.35Å; R57-D89 VanDerWaalsContact NH1-OD1 3.16Å; R57-D89 IonicContact NH2-OD1 2.73Å; R57-D89 PolarHBondContact NH2-OD1 3.28Å; Q61-D89 VanDerWaalsContact NE2-CG 3.27Å; Q61-D89 PolarHBondContact NE2-OD2 3.16Å; Q61-D89 VanDerWaalsContact OE1-CG 3.27Å; Q61-D89 PolarHBondContact OE1-OD1 3.33Å; D89-G91 PolarHBondContact O-N 3.43Å
90D95.4Very high97.7Very high95 Ų9548.2 Ų48.251%0.50826%0.259SS..THydrogen-bonded Turntrans-81.53.4175.174.2-8000114S88 K92S88-D90 VanDerWaalsContact CB-OD1 3.31Å; S88-D90 WeakPolarHBondContact CB-OD1 3.39Å; S88-D90 PolarHBondContact O-N 2.96Å; S88-D90 VanDerWaalsContact O-N 3.14Å; S88-D90 VanDerWaalsContact OG-CG 3.23Å; S88-D90 PolarHBondContact OG-N 3Å; S88-D90 PolarHBondContact OG-OD1 3.43Å; D90-K92 VanDerWaalsContact C-N 3.33Å; D90-K92 PolarHBondContact O-N 2.75Å; D90-K92 WeakPolarHBondContact OD1-CB 3.4Å; D90-K92 WeakPolarHBondContact OD1-CG 3.41Å; D90-K92 PolarHBondContact OD1-N 3.3Å; D90-K92 WeakPolarHBondContact OD2-CD 3.36Å; D90-K92 VanDerWaalsContact OD2-CE 3.3Å; D90-K92 WeakPolarHBondContact OD2-CE 3.45Å
91G96.8Very high97.7Very high43 Ų4348.3 Ų48.344%0.44326%0.258SS..SBendtrans83.8-4178.700000115.3K87 S88 D89K87-G91 WeakPolarHBondContact CD-O 3.49Å; S88-G91 WeakPolarHBondContact O-CA 3.46Å; S88-G91 PolarHBondContact O-N 3Å; D89-G91 PolarHBondContact O-N 3.43Å
92K97.1Very high97.6Very high72 Ų7250.8 Ų50.831%0.31327%0.273SS..  trans-71.4145.6175.4-63.4-175-169.2-160.40111K87 S88 D90 E100K87-K92 CarbonylContact C-O 3.55Å; K87-K92 WeakPolarHBondContact CA-O 3.34Å; K87-K92 WeakPolarHBondContact CB-O 3.36Å; S88-K92 PolarHBondContact N-O 3.15Å; D90-K92 VanDerWaalsContact C-N 3.33Å; D90-K92 PolarHBondContact O-N 2.75Å; D90-K92 WeakPolarHBondContact OD1-CB 3.4Å; D90-K92 WeakPolarHBondContact OD1-CG 3.41Å; D90-K92 PolarHBondContact OD1-N 3.3Å; D90-K92 WeakPolarHBondContact OD2-CD 3.36Å; D90-K92 VanDerWaalsContact OD2-CE 3.3Å; D90-K92 WeakPolarHBondContact OD2-CE 3.45Å; K92-E100 IonicContact NZ-OE1 2.69Å; K92-E100 PolarHBondContact NZ-OE1 2.81Å; K92-E100 IonicContact NZ-OE2 3.66Å; K92-E100 PolarHBondContact NZ-OE2 3.12Å
93T98.3Very high97.7Very high48 Ų4848.8 Ų48.829%0.29426%0.264SS..BIsolated β-bridgetrans-66.4146.2169.377.60000109.7P95 T96 L97T93-P95 VanDerWaalsContact C-N 3.33Å; T93-T96 WeakPolarHBondContact O-CB 3.15Å; T93-T96 PolarHBondContact O-N 3.02Å; T93-T96 WeakPolarHBondContact OG1-CB 3.33Å; T93-T96 PolarHBondContact OG1-N 3.2Å; T93-T96 PolarHBondContact OG1-OG1 3.22Å; T93-L97 PolarHBondContact O-N 2.95Å
94L98.2Very high97.7Very high0 Ų050.2 Ų50.20%027%0.271CS..Hα-helixtrans-59.6-36178.1-65.3-176.3000113.5R60 Q61 F64 T83 Q86 L97 L98R60-L94 HydrophobicContact CB-CD1 3.7Å; Q61-L94 HydrophobicContact CB-CD2 4.45Å; F64-L94 HydrophobicContact CD2-CB 3.97Å; F64-L94 HydrophobicContact CD2-CD1 4.25Å; F64-L94 HydrophobicContact CD2-CD2 4.24Å; F64-L94 HydrophobicContact CD2-CG 4.38Å; F64-L94 HydrophobicContact CE2-CB 4.15Å; F64-L94 HydrophobicContact CE2-CD1 4.14Å; T83-L94 HydrophobicContact CG2-CD1 3.65Å; Q86-L94 HydrophobicContact CB-CD1 3.69Å; Q86-L94 HydrophobicContact CB-CG 4.19Å; Q86-L94 PolarHBondContact O-N 3.1Å; Q86-L94 VanDerWaalsContact O-N 3.09Å; L94-L97 HydrophobicContact CD2-CD2 4.31Å; L94-L97 PolarHBondContact O-N 3.35Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 3.47Å; L94-L98 VanDerWaalsContact O-N 3.16Å
95P98.3Very high97.7Very high5 Ų550.2 Ų50.23%0.03227%0.272CS..Hα-helixtrans-60.4-41.6169.3-25.735000113.8L79 L84 T93 L98 A99 P105L79-P95 HydrophobicContact CD1-CB 4.49Å; L79-P95 HydrophobicContact CD1-CG 3.82Å; L84-P95 HydrophobicContact CD1-CG 3.62Å; T93-P95 VanDerWaalsContact C-N 3.33Å; P95-L98 PolarHBondContact O-N 2.58Å; P95-A99 WeakPolarHBondContact O-CB 3.47Å; P95-A99 PolarHBondContact O-N 3.28Å; P95-P105 HydrophobicContact CB-CB 4.19Å; P95-P105 HydrophobicContact CB-CG 4.13Å
96T98Very high97.8Very high61 Ų6145.1 Ų45.137%0.37425%0.248SC..Hα-helixtrans-62.6-43.6176-57.20000111.1T93 L98 A99 E100T93-T96 WeakPolarHBondContact O-CB 3.15Å; T93-T96 PolarHBondContact O-N 3.02Å; T93-T96 WeakPolarHBondContact OG1-CB 3.33Å; T93-T96 PolarHBondContact OG1-N 3.2Å; T93-T96 PolarHBondContact OG1-OG1 3.22Å; T96-L98 VanDerWaalsContact C-N 3.29Å; T96-L98 PolarHBondContact O-N 2.93Å; T96-A99 PolarHBondContact O-N 3.35Å; T96-E100 HydrophobicContact CG2-CG 4.34Å; T96-E100 WeakPolarHBondContact O-CG 3.46Å; T96-E100 PolarHBondContact O-N 2.9Å
97L97.7Very high97.8Very high7 Ų744.9 Ų44.94%0.03725%0.247CC..Hα-helixtrans-57.1-42.1177.1176.461.7000112F64 T93 L94 R101F64-L97 HydrophobicContact CB-CD2 3.87Å; F64-L97 HydrophobicContact CB-CG 4.39Å; T93-L97 PolarHBondContact O-N 2.95Å; L94-L97 HydrophobicContact CD2-CD2 4.31Å; L94-L97 PolarHBondContact O-N 3.35Å; L97-R101 WeakPolarHBondContact O-CD 3.49Å; L97-R101 WeakPolarHBondContact O-CG 3.34Å
98L98.5Very high97.8Very high0 Ų039.6 Ų39.60%022%0.224CC..Hα-helixtrans-66.9-46.9175.4-71.1170.4000112.3F64 V77 L79 L94 P95 T96 E100 R101 N102 I103 P105F64-L98 HydrophobicContact CB-CD2 3.87Å; F64-L98 HydrophobicContact CB-CG 4.27Å; F64-L98 HydrophobicContact CD1-CD2 3.89Å; F64-L98 HydrophobicContact CD2-CD1 4.2Å; F64-L98 HydrophobicContact CD2-CD2 4.39Å; F64-L98 HydrophobicContact CD2-CG 4.22Å; F64-L98 HydrophobicContact CE2-CD1 4.28Å; F64-L98 HydrophobicContact CG-CD1 4.38Å; F64-L98 HydrophobicContact CG-CD2 3.78Å; F64-L98 HydrophobicContact CG-CG 4.1Å; V77-L98 HydrophobicContact CB-CD1 3.77Å; V77-L98 HydrophobicContact CB-CD2 4.3Å; V77-L98 HydrophobicContact CG1-CD1 4.27Å; V77-L98 HydrophobicContact CG2-CD1 4Å; V77-L98 HydrophobicContact CG2-CD2 3.57Å; V77-L98 HydrophobicContact CG2-CG 4.43Å; L79-L98 HydrophobicContact CD1-CD1 4.45Å; L79-L98 HydrophobicContact CD2-CD1 3.99Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 3.47Å; L94-L98 VanDerWaalsContact O-N 3.16Å; P95-L98 PolarHBondContact O-N 2.58Å; T96-L98 VanDerWaalsContact C-N 3.29Å; T96-L98 PolarHBondContact O-N 2.93Å; L98-E100 PolarHBondContact O-N 2.65Å; L98-R101 CarbonylContact O-C 3.48Å; L98-R101 WeakPolarHBondContact O-CA 3.28Å; L98-R101 WeakPolarHBondContact O-CB 3.44Å; L98-R101 PolarHBondContact O-N 3.33Å; L98-N102 PolarHBondContact O-N 3.38Å; L98-I103 CarbonylContact C-O 3.58Å; L98-I103 VanDerWaalsContact C-O 3.23Å; L98-I103 HydrophobicContact CB-CB 4.34Å; L98-I103 HydrophobicContact CD2-CB 4.21Å; L98-I103 HydrophobicContact CD2-CD1 4.37Å; L98-I103 HydrophobicContact CD2-CG2 4.14Å; L98-I103 PolarHBondContact O-N 3.28Å; L98-I103 VanDerWaalsContact O-O 3.14Å; L98-P105 HydrophobicContact CB-CG 4.28Å
99A97.5Very high97.8Very high53 Ų5339 Ų3944%0.43822%0.22SC..Hα-helixtrans-62.2-41.5-17800000112.3P95 T96 R101 N102 I103P95-A99 WeakPolarHBondContact O-CB 3.47Å; P95-A99 PolarHBondContact O-N 3.28Å; T96-A99 PolarHBondContact O-N 3.35Å; A99-R101 PolarHBondContact O-N 3.05Å; A99-R101 VanDerWaalsContact O-N 3.1Å; A99-N102 PolarHBondContact O-N 3.36Å; A99-I103 PolarHBondContact N-O 2.86Å
100E96.6Very high97.9Very high95 Ų9534.3 Ų34.344%0.44420%0.195SC..THydrogen-bonded Turntrans-61-17.9173.8-73.3-179.8176.300113.2K92 T96 L98K92-E100 IonicContact NZ-OE1 2.69Å; K92-E100 PolarHBondContact NZ-OE1 2.81Å; K92-E100 IonicContact NZ-OE2 3.66Å; K92-E100 PolarHBondContact NZ-OE2 3.12Å; T96-E100 HydrophobicContact CG2-CG 4.34Å; T96-E100 WeakPolarHBondContact O-CG 3.46Å; T96-E100 PolarHBondContact O-N 2.9Å; L98-E100 PolarHBondContact O-N 2.65Å
101R96.2Very high97.9Very high47 Ų4734.4 Ų34.418%0.17719%0.191CC..THydrogen-bonded Turntrans-99.79.9178.2-67.4172.5159.836.95.8112.6F64 H68 A71 L97 L98 A99 I103F64-R101 WeakPolarHBondContact O-CD 3.34Å; H68-R101 PolarHBondContact CE1-NH1 3.41Å; H68-R101 PolarHBondContact NE2-NH2 3.07Å; A71-R101 WeakPolarHBondContact CB-O 3.47Å; L97-R101 WeakPolarHBondContact O-CD 3.49Å; L97-R101 WeakPolarHBondContact O-CG 3.34Å; L98-R101 CarbonylContact O-C 3.48Å; L98-R101 WeakPolarHBondContact O-CA 3.28Å; L98-R101 WeakPolarHBondContact O-CB 3.44Å; L98-R101 PolarHBondContact O-N 3.33Å; A99-R101 PolarHBondContact O-N 3.05Å; A99-R101 VanDerWaalsContact O-N 3.1Å; R101-I103 HydrophobicContact CB-CD1 4.39Å; R101-I103 HydrophobicContact CB-CG1 4.3Å; R101-I103 PolarHBondContact O-N 3.05Å
102N97Very high97.9Very high132 Ų13233 Ų3371%0.70618%0.176SC*.THydrogen-bonded Turntrans59.530.4-173.7-56.4-59000113.4L98 A99L98-N102 PolarHBondContact O-N 3.38Å; A99-N102 PolarHBondContact O-N 3.36Å
103I98.7Very high97.9Very high2 Ų231.3 Ų31.31%0.0117%0.171CC..  trans-108.5123.4173.3-54.4178.1000108.2L70 A71 I74 V77 L98 A99 R101 P105L70-I103 HydrophobicContact CB-CD1 4.48Å; L70-I103 HydrophobicContact CD2-CD1 3.96Å; L70-I103 HydrophobicContact CG-CD1 4.12Å; A71-I103 HydrophobicContact CB-CD1 4.3Å; A71-I103 HydrophobicContact CB-CG1 3.91Å; I74-I103 HydrophobicContact CG2-CG2 4.04Å; V77-I103 HydrophobicContact CG2-CG2 3.64Å; L98-I103 CarbonylContact C-O 3.58Å; L98-I103 VanDerWaalsContact C-O 3.23Å; L98-I103 HydrophobicContact CB-CB 4.34Å; L98-I103 HydrophobicContact CD2-CB 4.21Å; L98-I103 HydrophobicContact CD2-CD1 4.37Å; L98-I103 HydrophobicContact CD2-CG2 4.14Å; L98-I103 PolarHBondContact O-N 3.28Å; L98-I103 VanDerWaalsContact O-O 3.14Å; A99-I103 PolarHBondContact N-O 2.86Å; R101-I103 HydrophobicContact CB-CD1 4.39Å; R101-I103 HydrophobicContact CB-CG1 4.3Å; R101-I103 PolarHBondContact O-N 3.05Å; I103-P105 VanDerWaalsContact O-CD 3.32Å; I103-P105 WeakPolarHBondContact O-CD 3.24Å
104I98.8Very high97.9Very high33 Ų3330.9 Ų30.917%0.16917%0.169CC..EExtended strand (participates in β ladder)trans-75.8122.5-173.3-57.1168.4000109.1A22 I23 S75 G76 V77 R144 F145A22-I104 HydrophobicContact CB-CD1 3.94Å; I23-I104 HydrophobicContact CG1-CD1 3.81Å; S75-I104 WeakPolarHBondContact O-CB 3.33Å; S75-I104 WeakPolarHBondContact O-CG1 3.33Å; S75-I104 PolarHBondContact O-N 3.28Å; G76-I104 CarbonylContact C-O 3.49Å; G76-I104 WeakPolarHBondContact CA-O 3.46Å; V77-I104 PolarHBondContact N-O 3.09Å; I104-R144 HydrophobicContact CG2-CB 3.68Å; I104-R144 HydrophobicContact CG2-CG 4.15Å; I104-F145 HydrophobicContact CB-CE1 4.26Å; I104-F145 HydrophobicContact CG2-CD1 3.8Å; I104-F145 HydrophobicContact CG2-CE1 3.93Å; I104-F145 VanDerWaalsContact O-CE1 3.32Å; I104-F145 WeakPolarHBondContact O-CE1 3.44Å
105P98.9Very high97.9Very high6 Ų636.2 Ų36.24%0.03920%0.204CC..EExtended strand (participates in β ladder)trans-73.3136.8172.7-16.632.1000111L79 P95 L98 I103 C143 R144L79-P105 HydrophobicContact CD1-CB 4.41Å; P95-P105 HydrophobicContact CB-CB 4.19Å; P95-P105 HydrophobicContact CB-CG 4.13Å; L98-P105 HydrophobicContact CB-CG 4.28Å; I103-P105 VanDerWaalsContact O-CD 3.32Å; I103-P105 WeakPolarHBondContact O-CD 3.24Å; P105-C143 CarbonylContact O-C 3.51Å; P105-C143 VanDerWaalsContact O-CA 3.32Å; P105-C143 WeakPolarHBondContact O-CA 3.27Å; P105-R144 PolarHBondContact O-N 2.69Å
106G98.9Very high97.8Very high0 Ų037 Ų370%021%0.207CC..EExtended strand (participates in β ladder)trans-133.4173167.400000111.4V77 L79 F145V77-G106 PolarHBondContact O-N 2.98Å; L79-G106 WeakPolarHBondContact CB-O 3.42Å; L79-G106 WeakPolarHBondContact CG-O 3.42Å; L79-G106 PolarHBondContact N-O 2.88Å; G106-F145 WeakPolarHBondContact CA-O 3.29Å
107I98.9Very high97.8Very high0 Ų038.4 Ų38.40%023%0.225CC..EExtended strand (participates in β ladder)trans-138.7135.7-169-17761.9000111.1L79 L84 V109 Y138 C143 F145 A146 K147L79-I107 HydrophobicContact CB-CD1 4.41Å; L79-I107 WeakPolarHBondContact O-CD1 3.43Å; L84-I107 HydrophobicContact CD2-CD1 4.38Å; I107-V109 HydrophobicContact CB-CG1 4.47Å; I107-V109 HydrophobicContact CG1-CG1 4.22Å; I107-V109 HydrophobicContact CG2-CG1 3.72Å; I107-Y138 HydrophobicContact CG1-CD1 4.24Å; I107-Y138 HydrophobicContact CG1-CD2 4.01Å; I107-Y138 HydrophobicContact CG1-CE1 4.34Å; I107-Y138 HydrophobicContact CG1-CE2 4.12Å; I107-Y138 HydrophobicContact CG1-CG 4.09Å; I107-Y138 HydrophobicContact CG2-CD2 3.79Å; I107-Y138 HydrophobicContact CG2-CG 3.96Å; I107-C143 HydrophobicContact CG2-CB 4.08Å; I107-F145 PolarHBondContact N-O 2.75Å; I107-F145 VanDerWaalsContact N-O 3.14Å; I107-A146 HydrophobicContact CG2-CB 4.37Å; I107-A146 CarbonylContact O-C 3.23Å; I107-A146 WeakPolarHBondContact O-CA 3.38Å; I107-K147 PolarHBondContact O-N 3.46Å
108K98.7Very high97.7Very high11 Ų1142 Ų425%0.04826%0.264CS..EExtended strand (participates in β ladder)trans-75.4123.9165.3177.8-173176.1-173.30108.8D34 I78 L79 D110D34-K108 HydrophobicContact CB-CB 3.77Å; D34-K108 HydrophobicContact CB-CD 4.38Å; I78-K108 HydrophobicContact CG2-CB 4.41Å; L79-K108 PolarHBondContact O-N 2.99Å; K108-D110 WeakPolarHBondContact CE-OD1 3.41Å; K108-D110 WeakPolarHBondContact CE-OD2 3.43Å; K108-D110 WeakPolarHBondContact CG-OD2 3.23Å; K108-D110 IonicContact NZ-OD1 3.8Å; K108-D110 PolarHBondContact NZ-OD1 3.41Å
109V98.6Very high97.6Very high1 Ų143.7 Ų43.71%0.00627%0.274CS..  trans-114.4-11.1-173.7-59.90000114.3I107 L131 R134 Y138 A146 K147 W148 Y174I107-V109 HydrophobicContact CB-CG1 4.47Å; I107-V109 HydrophobicContact CG1-CG1 4.22Å; I107-V109 HydrophobicContact CG2-CG1 3.72Å; V109-L131 HydrophobicContact CB-CD1 3.83Å; V109-L131 HydrophobicContact CG2-CD1 3.94Å; V109-R134 PolarHBondContact O-NH1 3.06Å; V109-R134 PolarHBondContact O-NH2 3.2Å; V109-Y138 HydrophobicContact CB-CE2 4.42Å; V109-Y138 HydrophobicContact CG1-CD2 3.75Å; V109-Y138 HydrophobicContact CG1-CE2 3.63Å; V109-A146 HydrophobicContact CG1-CB 3.98Å; V109-A146 HydrophobicContact CG2-CB 4.12Å; V109-K147 PolarHBondContact N-O 3.3Å; V109-W148 HydrophobicContact CG2-CE3 3.84Å; V109-W148 HydrophobicContact CG2-CZ3 4.43Å; V109-Y174 HydrophobicContact CG2-CD2 3.79Å; V109-Y174 HydrophobicContact CG2-CE2 3.45Å; V109-Y174 VanDerWaalsContact CG2-CE2 3.45Å
110D98.3Very high97.3Very high10 Ų1045.4 Ų45.45%0.05328%0.276CS..  trans-69.7146.7168.974.280.5000111.5K108 G112 T125 W148 R149K108-D110 WeakPolarHBondContact CE-OD1 3.41Å; K108-D110 WeakPolarHBondContact CE-OD2 3.43Å; K108-D110 WeakPolarHBondContact CG-OD2 3.23Å; K108-D110 IonicContact NZ-OD1 3.8Å; K108-D110 PolarHBondContact NZ-OD1 3.41Å; D110-G112 VanDerWaalsContact C-N 3.33Å; D110-G112 PolarHBondContact OD1-N 2.87Å; D110-G112 VanDerWaalsContact OD1-N 3.1Å; D110-T125 HydrophobicContact CB-CG2 3.58Å; D110-W148 HydrophobicContact CB-CD2 3.59Å; D110-W148 HydrophobicContact CB-CE3 3.96Å; D110-W148 HydrophobicContact CB-CG 3.93Å; D110-W148 HydrophobicContact CB-CH2 4.35Å; D110-W148 HydrophobicContact CB-CZ2 4.05Å; D110-W148 HydrophobicContact CB-CZ3 4.31Å; D110-R149 PolarHBondContact OD2-N 3.01Å
111K96.9Very high97.2Very high97 Ų9747.1 Ų47.142%0.42229%0.288SS..  trans-98.423.1178.4-63.2-177.7-174.9167.10111.5Q126 D130K111-Q126 HydrophobicContact CB-CG 4.04Å; K111-Q126 PolarHBondContact N-O 2.9Å; K111-Q126 PolarHBondContact O-NE2 3.34Å; K111-D130 IonicContact NZ-OD1 3.4Å; K111-D130 PolarHBondContact NZ-OD1 2.87Å; K111-D130 IonicContact NZ-OD2 3.22Å; K111-D130 PolarHBondContact NZ-OD2 3.48Å; K111-D130 VanDerWaalsContact NZ-OD2 3.09Å
112G96.1Very high97.3Very high12 Ų1245.6 Ų45.612%0.12428%0.283CS..  trans98167.5175.700000115.5D110 T125 Q126D110-G112 VanDerWaalsContact C-N 3.33Å; D110-G112 PolarHBondContact OD1-N 2.87Å; D110-G112 VanDerWaalsContact OD1-N 3.1Å; G112-T125 VanDerWaalsContact O-CG2 3.29Å; G112-T125 WeakPolarHBondContact O-CG2 3.46Å; G112-Q126 WeakPolarHBondContact O-CG 3.45Å; G112-Q126 PolarHBondContact O-N 2.84Å
113V97.1Very high97.4Very high37 Ų3740.4 Ų40.422%0.22426%0.256CS..EExtended strand (participates in β ladder)trans-82.2137.3-178.3178.50000109.7T123 T124 V151V113-T123 HydrophobicContact CG1-CG2 3.55Å; V113-T123 WeakPolarHBondContact CG1-OG1 3.43Å; V113-T124 WeakPolarHBondContact CA-O 3.48Å; V113-V151 HydrophobicContact CG1-CG2 3.8Å; V113-V151 HydrophobicContact CG2-CG1 4.35Å; V113-V151 HydrophobicContact CG2-CG2 4.05Å
114V97.3Very high97.4Very high39 Ų3941.2 Ų41.224%0.23626%0.262CS..EExtended strand (participates in β ladder)trans-131.1153.8178.4-65.60000110.6L116 T123 T124 Q126V114-L116 PolarHBondContact O-N 3.21Å; V114-T123 CarbonylContact O-C 3.13Å; V114-T123 WeakPolarHBondContact O-CA 3.12Å; V114-T123 VanDerWaalsContact O-CB 3.23Å; V114-T123 WeakPolarHBondContact O-CB 3.25Å; V114-T124 HydrophobicContact CG2-CG2 3.74Å; V114-T124 PolarHBondContact N-O 2.93Å; V114-T124 PolarHBondContact O-N 3.37Å; V114-T124 VanDerWaalsContact O-O 3.06Å; V114-Q126 HydrophobicContact CG1-CB 4.39Å; V114-Q126 HydrophobicContact CG1-CG 3.84Å; V114-Q126 HydrophobicContact CG2-CB 4.38Å
115P98.1Very high97.3Very high113 Ų11339.9 Ų39.973%0.73426%0.255SS*.EExtended strand (participates in β ladder)trans-56.4137.3175-24.534.7000112.1
116L98.2Very high97.3Very high22 Ų2244.3 Ų44.312%0.11528%0.275CS..  trans-89.4105.9170.9-179.555.3000108.6V114 T119 E122 T124 L162 A163 E166V114-L116 PolarHBondContact O-N 3.21Å; L116-T119 HydrophobicContact CB-CG2 4.3Å; L116-T119 HydrophobicContact CD2-CG2 3.8Å; L116-T119 HydrophobicContact CG-CG2 3.74Å; L116-T119 PolarHBondContact O-N 3.42Å; L116-T119 PolarHBondContact O-OG1 2.59Å; L116-E122 PolarHBondContact N-O 3.36Å; L116-T124 HydrophobicContact CD1-CG2 4.27Å; L116-L162 HydrophobicContact CD2-CG 4.38Å; L116-A163 HydrophobicContact CD2-CB 4.01Å; L116-E166 HydrophobicContact CD1-CB 4.41Å; L116-E166 HydrophobicContact CD1-CG 3.9Å; L116-E166 HydrophobicContact CD2-CB 4.1Å; L116-E166 HydrophobicContact CD2-CG 4.37Å
117A96.5Very high97.3Very high89 Ų8944.7 Ų44.774%0.73628%0.278SS*.THydrogen-bonded Turntrans-57.6142-177.600000111.8T119A117-T119 VanDerWaalsContact C-N 3.34Å
118G95.5Very high97.2Very high84 Ų8445.9 Ų45.987%0.86629%0.285SS*.THydrogen-bonded Turntrans79.510.7-179.500000115.1
119T96.5Very high97.2Very high34 Ų3451.8 Ų51.821%0.20932%0.317CS..SBendtrans-119165.2176.667.50000112.4L116 A117 N121 E122 L162L116-T119 HydrophobicContact CB-CG2 4.3Å; L116-T119 HydrophobicContact CD2-CG2 3.8Å; L116-T119 HydrophobicContact CG-CG2 3.74Å; L116-T119 PolarHBondContact O-N 3.42Å; L116-T119 PolarHBondContact O-OG1 2.59Å; A117-T119 VanDerWaalsContact C-N 3.34Å; T119-N121 PolarHBondContact O-N 3.09Å; T119-N121 VanDerWaalsContact O-N 3.14Å; T119-E122 WeakPolarHBondContact CB-OE2 3.31Å; T119-E122 WeakPolarHBondContact OG1-CB 3.41Å; T119-E122 PolarHBondContact OG1-N 2.83Å; T119-L162 HydrophobicContact CG2-CB 4.45Å; T119-L162 HydrophobicContact CG2-CD2 3.8Å; T119-L162 HydrophobicContact CG2-CG 4.21Å
120D92.4Very high97.2Very high89 Ų8955.7 Ų55.748%0.47634%0.338SS..SBendtrans-81.386174.9-178.414.2000111E122D120-E122 WeakPolarHBondContact O-CG 3.23Å; D120-E122 PolarHBondContact O-N 3.47Å
121N94.2Very high97.2Very high132 Ų13255.3 Ų55.371%0.70634%0.336SS*.SBendtrans54.727.5175.3-61.3-67.8000114.4T119T119-N121 PolarHBondContact O-N 3.09Å; T119-N121 VanDerWaalsContact O-N 3.14Å
122E98Very high97.3Very high14 Ų1452.9 Ų52.97%0.06533%0.334CS..  trans-89.2171.9173.5-48.1-175.792.200110.4L116 T119 D120 T158 P159 S160 A163L116-E122 PolarHBondContact N-O 3.36Å; T119-E122 WeakPolarHBondContact CB-OE2 3.31Å; T119-E122 WeakPolarHBondContact OG1-CB 3.41Å; T119-E122 PolarHBondContact OG1-N 2.83Å; D120-E122 WeakPolarHBondContact O-CG 3.23Å; D120-E122 PolarHBondContact O-N 3.47Å; E122-T158 HydrophobicContact CG-CG2 3.66Å; E122-P159 WeakPolarHBondContact OE1-CA 3.33Å; E122-S160 PolarHBondContact OE1-N 3.47Å; E122-S160 WeakPolarHBondContact OE2-CB 3.28Å; E122-S160 PolarHBondContact OE2-OG 2.96Å; E122-A163 HydrophobicContact CB-CB 3.99Å; E122-A163 HydrophobicContact CG-CB 4.3Å; E122-A163 WeakPolarHBondContact OE1-CB 3.35Å
123T98.5Very high97.4Very high24 Ų2456.1 Ų56.115%0.14735%0.354CS..EExtended strand (participates in β ladder)trans-137.8153.9-169.256.50000112.1V113 V114 V151 N167V113-T123 HydrophobicContact CG1-CG2 3.55Å; V113-T123 WeakPolarHBondContact CG1-OG1 3.43Å; V114-T123 CarbonylContact O-C 3.13Å; V114-T123 WeakPolarHBondContact O-CA 3.12Å; V114-T123 VanDerWaalsContact O-CB 3.23Å; V114-T123 WeakPolarHBondContact O-CB 3.25Å; T123-V151 WeakPolarHBondContact OG1-CG2 3.38Å; T123-V151 PolarHBondContact OG1-O 3.47Å; T123-N167 PolarHBondContact O-ND2 3.03Å; T123-N167 PolarHBondContact O-OD1 2.96Å
124T98.3Very high97.5Very high19 Ų1955.7 Ų55.712%0.11735%0.349CS..EExtended strand (participates in β ladder)trans-119.8-176.6161.4-170.70000108.7V113 V114 L116V113-T124 WeakPolarHBondContact CA-O 3.48Å; V114-T124 HydrophobicContact CG2-CG2 3.74Å; V114-T124 PolarHBondContact N-O 2.93Å; V114-T124 PolarHBondContact O-N 3.37Å; V114-T124 VanDerWaalsContact O-O 3.06Å; L116-T124 HydrophobicContact CD1-CG2 4.27Å
125T98.4Very high97.6Very high4 Ų453.9 Ų53.93%0.02534%0.338CS..EExtended strand (participates in β ladder)trans-128.5134.5-177.4-49.90000110D110 G112 W148 R149 C150D110-T125 HydrophobicContact CB-CG2 3.58Å; G112-T125 VanDerWaalsContact O-CG2 3.29Å; G112-T125 WeakPolarHBondContact O-CG2 3.46Å; T125-W148 HydrophobicContact CG2-CZ2 4.16Å; T125-R149 VanDerWaalsContact CG2-O 3.23Å; T125-R149 WeakPolarHBondContact CG2-O 3.36Å; T125-R149 PolarHBondContact OG1-O 3.29Å; T125-C150 PolarHBondContact OG1-SG 3.09Å
126Q98Very high97.6Very high100 Ų10050.6 Ų50.647%0.46732%0.32SS..  trans-99.1167.2-174.459.6170.1-0.900113.2K111 G112 V114 W148K111-Q126 HydrophobicContact CB-CG 4.04Å; K111-Q126 PolarHBondContact N-O 2.9Å; K111-Q126 PolarHBondContact O-NE2 3.34Å; G112-Q126 WeakPolarHBondContact O-CG 3.45Å; G112-Q126 PolarHBondContact O-N 2.84Å; V114-Q126 HydrophobicContact CG1-CB 4.39Å; V114-Q126 HydrophobicContact CG1-CG 3.84Å; V114-Q126 HydrophobicContact CG2-CB 4.38Å; Q126-W148 WeakPolarHBondContact O-CH2 3.31Å; Q126-W148 WeakPolarHBondContact O-CZ2 3.45Å
127G98.1Very high97.6Very high7 Ų752.8 Ų52.87%0.07233%0.33CS..  trans120.411.7174.600000115.4R134 W148G127-R134 PolarHBondContact O-NH2 3.05Å; G127-W148 VanDerWaalsContact C-CH2 3.4Å
128L98.7Very high97.7Very high26 Ų2648.7 Ų48.714%0.13630%0.295CS..  trans-74.5-32.1-178-73.5176.8000112L131 W148 V170 R173L128-L131 HydrophobicContact CD2-CD2 3.93Å; L128-L131 VanDerWaalsContact O-CB 3.24Å; L128-L131 WeakPolarHBondContact O-CB 3.03Å; L128-L131 PolarHBondContact O-N 2.97Å; L128-W148 HydrophobicContact CD2-CH2 3.77Å; L128-W148 HydrophobicContact CD2-CZ2 4.28Å; L128-W148 HydrophobicContact CD2-CZ3 4Å; L128-W148 HydrophobicContact CG-CH2 3.8Å; L128-W148 HydrophobicContact CG-CZ2 4.19Å; L128-V170 HydrophobicContact CD1-CG1 4.25Å; L128-V170 HydrophobicContact CD1-CG2 4.28Å; L128-R173 HydrophobicContact CD1-CB 4.19Å; L128-R173 HydrophobicContact CD2-CB 4.23Å
129D98.2Very high97.9Very high134 Ų13450.6 Ų50.672%0.71728%0.276SS*.THydrogen-bonded Turntrans-54.9141168.3-57.1-37.4000108.7L131D129-L131 PolarHBondContact O-N 3.17Å
130D98Very high98Very high84 Ų8456.8 Ų56.845%0.44930%0.296SS..THydrogen-bonded Turntrans565.3-176.872.930.9000117.1K111 A132 S133 R134K111-D130 IonicContact NZ-OD1 3.4Å; K111-D130 PolarHBondContact NZ-OD1 2.87Å; K111-D130 IonicContact NZ-OD2 3.22Å; K111-D130 PolarHBondContact NZ-OD2 3.48Å; K111-D130 VanDerWaalsContact NZ-OD2 3.09Å; D130-A132 VanDerWaalsContact C-N 3.31Å; D130-A132 PolarHBondContact O-N 3.23Å; D130-S133 PolarHBondContact O-N 3.17Å; D130-S133 PolarHBondContact O-OG 3.24Å; D130-R134 PolarHBondContact O-N 3.04Å; D130-R134 WeakPolarHBondContact OD1-CD 3.45Å; D130-R134 IonicContact OD1-CZ 2.75Å; D130-R134 IonicContact OD1-NE 2.63Å; D130-R134 PolarHBondContact OD1-NE 3.21Å; D130-R134 IonicContact OD1-NH2 2.94Å
131L98.8Very high98.2Very high1 Ų154.8 Ų54.81%0.00529%0.285CS..Hα-helixtrans-60.1-36.7-172.3-17963.8000113.7V109 L128 D129 R134 C135 W148 Y174 I177V109-L131 HydrophobicContact CB-CD1 3.83Å; V109-L131 HydrophobicContact CG2-CD1 3.94Å; L128-L131 HydrophobicContact CD2-CD2 3.93Å; L128-L131 VanDerWaalsContact O-CB 3.24Å; L128-L131 WeakPolarHBondContact O-CB 3.03Å; L128-L131 PolarHBondContact O-N 2.97Å; D129-L131 PolarHBondContact O-N 3.17Å; L131-R134 PolarHBondContact O-N 2.85Å; L131-C135 WeakPolarHBondContact O-CB 3.32Å; L131-C135 PolarHBondContact O-N 3.31Å; L131-C135 PolarHBondContact O-SG 2.72Å; L131-W148 HydrophobicContact CD1-CZ3 4.26Å; L131-W148 HydrophobicContact CD2-CE3 4.4Å; L131-W148 HydrophobicContact CD2-CZ3 3.93Å; L131-Y174 HydrophobicContact CD2-CD2 4.17Å; L131-I177 HydrophobicContact CB-CD1 4.47Å; L131-I177 HydrophobicContact CB-CG2 4.1Å; L131-I177 HydrophobicContact CD2-CB 4.03Å; L131-I177 HydrophobicContact CD2-CD1 4.04Å; L131-I177 HydrophobicContact CD2-CG2 3.87Å; L131-I177 HydrophobicContact CG-CB 4.43Å; L131-I177 HydrophobicContact CG-CG2 3.71Å
132A98.7Very high98.4Very high46 Ų4649.6 Ų49.638%0.3826%0.263SS..Hα-helixtrans-63-46.5-17900000112.3D130 C135 A136 I177 N181D130-A132 VanDerWaalsContact C-N 3.31Å; D130-A132 PolarHBondContact O-N 3.23Å; A132-C135 PolarHBondContact O-N 2.87Å; A132-A136 PolarHBondContact O-N 2.87Å; A132-I177 HydrophobicContact CB-CG2 3.91Å; A132-N181 PolarHBondContact O-OD1 3.08Å
133S98.7Very high98.4Very high80 Ų8048.9 Ų48.956%0.55926%0.259SS*.Hα-helixtrans-67.2-38.4178.254.60000111.5D130 A136 E137D130-S133 PolarHBondContact O-N 3.17Å; D130-S133 PolarHBondContact O-OG 3.24Å; S133-A136 PolarHBondContact O-N 3.28Å; S133-E137 PolarHBondContact O-N 2.94Å
134R98.7Very high98.5Very high29 Ų2951.7 Ų51.711%0.10927%0.267CS..Hα-helixtrans-62.3-46173.3-67.4-166.1-61.8127.2-1.4112.1V109 G127 D130 L131 A136 E137 Y138V109-R134 PolarHBondContact O-NH1 3.06Å; V109-R134 PolarHBondContact O-NH2 3.2Å; G127-R134 PolarHBondContact O-NH2 3.05Å; D130-R134 PolarHBondContact O-N 3.04Å; D130-R134 WeakPolarHBondContact OD1-CD 3.45Å; D130-R134 IonicContact OD1-CZ 2.75Å; D130-R134 IonicContact OD1-NE 2.63Å; D130-R134 PolarHBondContact OD1-NE 3.21Å; D130-R134 IonicContact OD1-NH2 2.94Å; L131-R134 PolarHBondContact O-N 2.85Å; R134-A136 PolarHBondContact O-N 3.18Å; R134-E137 PolarHBondContact O-N 3Å; R134-Y138 HydrophobicContact CB-CD2 4.38Å; R134-Y138 HydrophobicContact CB-CE2 3.7Å; R134-Y138 PolarHBondContact NH1-OH 2.98Å; R134-Y138 WeakPolarHBondContact O-CD2 2.89Å; R134-Y138 PolarHBondContact O-N 3.35Å
135C98.9Very high98.5Very high0 Ų050.8 Ų50.80%026%0.262CS..Hα-helixtrans-60-42.7176.4-76.10000112.4L131 A132 E137 Y138 W139 N181 L183L131-C135 WeakPolarHBondContact O-CB 3.32Å; L131-C135 PolarHBondContact O-N 3.31Å; L131-C135 PolarHBondContact O-SG 2.72Å; A132-C135 PolarHBondContact O-N 2.87Å; C135-E137 VanDerWaalsContact C-N 3.32Å; C135-E137 PolarHBondContact O-N 3.37Å; C135-Y138 PolarHBondContact O-N 3.1Å; C135-W139 WeakPolarHBondContact O-CB 3.46Å; C135-W139 PolarHBondContact O-N 3.39Å; C135-N181 HydrophobicContact CB-CB 3.62Å; C135-L183 HydrophobicContact CB-CD1 3.87Å
136A98.7Very high98.5Very high44 Ų4450.6 Ų50.636%0.36426%0.26SS..Hα-helixtrans-59.7-43.4175.100000111.8A132 S133 R134 W139 R140A132-A136 PolarHBondContact O-N 2.87Å; S133-A136 PolarHBondContact O-N 3.28Å; R134-A136 PolarHBondContact O-N 3.18Å; A136-W139 PolarHBondContact O-N 3.03Å; A136-R140 PolarHBondContact O-N 3.02Å
137E98.7Very high98.6Very high68 Ų6845.8 Ų45.832%0.31824%0.238SC..Hα-helixtrans-65.5-45.1176.5176.959.7-173.200112S133 R134 C135 W139 R140 L141S133-E137 PolarHBondContact O-N 2.94Å; R134-E137 PolarHBondContact O-N 3Å; C135-E137 VanDerWaalsContact C-N 3.32Å; C135-E137 PolarHBondContact O-N 3.37Å; E137-W139 VanDerWaalsContact C-N 3.29Å; E137-W139 PolarHBondContact O-N 2.98Å; E137-R140 VanDerWaalsContact CD-NH2 3.34Å; E137-R140 WeakPolarHBondContact O-CB 3.32Å; E137-R140 PolarHBondContact O-N 2.6Å; E137-R140 VanDerWaalsContact O-N 3.12Å; E137-R140 IonicContact OE1-CZ 3.05Å; E137-R140 IonicContact OE1-NE 2.67Å; E137-R140 IonicContact OE1-NH2 3.47Å; E137-R140 PolarHBondContact OE1-NH2 2.82Å; E137-R140 IonicContact OE2-CZ 3.78Å; E137-R140 IonicContact OE2-NE 3.97Å; E137-R140 PolarHBondContact OE2-NE 2.99Å; E137-R140 IonicContact OE2-NH2 2.64Å; E137-R140 PolarHBondContact OE2-NH2 2.82Å; E137-L141 HydrophobicContact CG-CD1 3.98Å; E137-L141 HydrophobicContact CG-CG 4.49Å; E137-L141 WeakPolarHBondContact O-CG 3.22Å; E137-L141 PolarHBondContact O-N 2.8Å
138Y98.8Very high98.6Very high4 Ų445.5 Ų45.52%0.01624%0.235CC..Hα-helixtrans-62.4-37.5177.2-58.2-35000112.2E81 L84 I107 V109 R134 C135 L141 G142 C143E81-Y138 HydrophobicContact CG-CE1 4.49Å; E81-Y138 WeakPolarHBondContact OE1-CE1 3.04Å; E81-Y138 PolarHBondContact OE1-OH 2.93Å; L84-Y138 HydrophobicContact CD2-CD1 3.45Å; L84-Y138 VanDerWaalsContact CD2-CD1 3.45Å; L84-Y138 HydrophobicContact CD2-CE1 3.91Å; L84-Y138 HydrophobicContact CD2-CG 4.44Å; I107-Y138 HydrophobicContact CG1-CD1 4.24Å; I107-Y138 HydrophobicContact CG1-CD2 4.01Å; I107-Y138 HydrophobicContact CG1-CE1 4.34Å; I107-Y138 HydrophobicContact CG1-CE2 4.12Å; I107-Y138 HydrophobicContact CG1-CG 4.09Å; I107-Y138 HydrophobicContact CG2-CD2 3.79Å; I107-Y138 HydrophobicContact CG2-CG 3.96Å; V109-Y138 HydrophobicContact CB-CE2 4.42Å; V109-Y138 HydrophobicContact CG1-CD2 3.75Å; V109-Y138 HydrophobicContact CG1-CE2 3.63Å; R134-Y138 HydrophobicContact CB-CD2 4.38Å; R134-Y138 HydrophobicContact CB-CE2 3.7Å; R134-Y138 PolarHBondContact NH1-OH 2.98Å; R134-Y138 WeakPolarHBondContact O-CD2 2.89Å; R134-Y138 PolarHBondContact O-N 3.35Å; C135-Y138 PolarHBondContact O-N 3.1Å; Y138-L141 CarbonylContact O-C 3.43Å; Y138-L141 PolarHBondContact O-N 2.82Å; Y138-G142 PolarHBondContact O-N 3.14Å; Y138-C143 VanDerWaalsContact O-CB 3.27Å; Y138-C143 WeakPolarHBondContact O-CB 3.32Å; Y138-C143 PolarHBondContact O-N 2.9Å
139W98.6Very high98.6Very high123 Ų12344.3 Ų44.347%0.46623%0.229SC..Hα-helixtrans-61.9-44173.4-172.398.3000111.6C135 A136 E137 L141 G142 R144 L183C135-W139 WeakPolarHBondContact O-CB 3.46Å; C135-W139 PolarHBondContact O-N 3.39Å; A136-W139 PolarHBondContact O-N 3.03Å; E137-W139 VanDerWaalsContact C-N 3.29Å; E137-W139 PolarHBondContact O-N 2.98Å; W139-L141 VanDerWaalsContact C-N 3.29Å; W139-L141 PolarHBondContact O-N 2.94Å; W139-G142 PolarHBondContact O-N 2.97Å; W139-R144 PolarHBondContact O-NH1 2.84Å; W139-L183 HydrophobicContact CB-CD2 4.11Å; W139-L183 HydrophobicContact CB-CG 4.47Å; W139-L183 HydrophobicContact CG-CD2 4.44Å
140R98.3Very high98.6Very high165 Ų16538 Ų3862%0.62319%0.194SC*.Hα-helixtrans-61.3-36.1175.1-170.1-172.671.983.8-1112.3A136 E137 G142A136-R140 PolarHBondContact O-N 3.02Å; E137-R140 VanDerWaalsContact CD-NH2 3.34Å; E137-R140 WeakPolarHBondContact O-CB 3.32Å; E137-R140 PolarHBondContact O-N 2.6Å; E137-R140 VanDerWaalsContact O-N 3.12Å; E137-R140 IonicContact OE1-CZ 3.05Å; E137-R140 IonicContact OE1-NE 2.67Å; E137-R140 IonicContact OE1-NH2 3.47Å; E137-R140 PolarHBondContact OE1-NH2 2.82Å; E137-R140 IonicContact OE2-CZ 3.78Å; E137-R140 IonicContact OE2-NE 3.97Å; E137-R140 PolarHBondContact OE2-NE 2.99Å; E137-R140 IonicContact OE2-NH2 2.64Å; E137-R140 PolarHBondContact OE2-NH2 2.82Å; R140-G142 PolarHBondContact O-N 3.44Å
141L98Very high98.6Very high46 Ų4634.3 Ų34.324%0.24118%0.175CC..THydrogen-bonded Turntrans-77.72.2176.1-66.1172000113.8L84 E137 Y138 W139L84-L141 HydrophobicContact CD1-CB 4.36Å; L84-L141 HydrophobicContact CD2-CB 4.31Å; L84-L141 HydrophobicContact CD2-CD1 3.56Å; L84-L141 HydrophobicContact CG-CB 4.44Å; L84-L141 HydrophobicContact CG-CD1 4.12Å; E137-L141 HydrophobicContact CG-CD1 3.98Å; E137-L141 HydrophobicContact CG-CG 4.49Å; E137-L141 WeakPolarHBondContact O-CG 3.22Å; E137-L141 PolarHBondContact O-N 2.8Å; Y138-L141 CarbonylContact O-C 3.43Å; Y138-L141 PolarHBondContact O-N 2.82Å; W139-L141 VanDerWaalsContact C-N 3.29Å; W139-L141 PolarHBondContact O-N 2.94Å
142G97.8Very high98.6Very high23 Ų2334.5 Ų34.524%0.23718%0.176CC..THydrogen-bonded Turntrans102.9-0.717100000115.3Y138 W139 R140 R144Y138-G142 PolarHBondContact O-N 3.14Å; W139-G142 PolarHBondContact O-N 2.97Å; R140-G142 PolarHBondContact O-N 3.44Å; G142-R144 VanDerWaalsContact C-NH1 3.3Å; G142-R144 PolarHBondContact O-NH1 2.93Å
143C98.8Very high98.5Very high0 Ų035.4 Ų35.40%017%0.172CC..  trans-68.7146174.6-63.40000111.1L84 P105 I107 Y138 L183L84-C143 VanDerWaalsContact CD1-SG 3.53Å; P105-C143 CarbonylContact O-C 3.51Å; P105-C143 VanDerWaalsContact O-CA 3.32Å; P105-C143 WeakPolarHBondContact O-CA 3.27Å; I107-C143 HydrophobicContact CG2-CB 4.08Å; Y138-C143 VanDerWaalsContact O-CB 3.27Å; Y138-C143 WeakPolarHBondContact O-CB 3.32Å; Y138-C143 PolarHBondContact O-N 2.9Å; C143-L183 HydrophobicContact CB-CD2 4.23Å; C143-L183 VanDerWaalsContact O-CD2 3.28Å; C143-L183 WeakPolarHBondContact O-CD2 3.11Å
144R98.8Very high98.5Very high82 Ų8232.3 Ų32.331%0.30915%0.149SC..  trans-124.5-9.5178.7-60.7-64.3174.9-101.73.8113.7I19 I104 P105 W139 G142 V184I19-R144 HydrophobicContact CD1-CB 4.13Å; I19-R144 HydrophobicContact CG1-CB 4.46Å; I19-R144 HydrophobicContact CG2-CB 3.98Å; I104-R144 HydrophobicContact CG2-CB 3.68Å; I104-R144 HydrophobicContact CG2-CG 4.15Å; P105-R144 PolarHBondContact O-N 2.69Å; W139-R144 PolarHBondContact O-NH1 2.84Å; G142-R144 VanDerWaalsContact C-NH1 3.3Å; G142-R144 PolarHBondContact O-NH1 2.93Å; R144-V184 PolarHBondContact O-N 2.67Å
145F98.9Very high98.4Very high0 Ų033.9 Ų33.90%016%0.164CC..EExtended strand (participates in β ladder)trans-144160.3173.369.5-88.2000110.2I23 I30 I78 I104 G106 I107 V184 I186I23-F145 HydrophobicContact CD1-CB 3.87Å; I23-F145 HydrophobicContact CD1-CD1 3.54Å; I23-F145 HydrophobicContact CD1-CE1 4.16Å; I23-F145 HydrophobicContact CD1-CG 3.75Å; I23-F145 HydrophobicContact CG1-CD1 4.38Å; I30-F145 HydrophobicContact CG2-CZ 4.44Å; I78-F145 HydrophobicContact CD1-CE2 4.36Å; I78-F145 HydrophobicContact CG1-CE2 3.89Å; I78-F145 HydrophobicContact CG1-CZ 4.32Å; I104-F145 HydrophobicContact CB-CE1 4.26Å; I104-F145 HydrophobicContact CG2-CD1 3.8Å; I104-F145 HydrophobicContact CG2-CE1 3.93Å; I104-F145 VanDerWaalsContact O-CE1 3.32Å; I104-F145 WeakPolarHBondContact O-CE1 3.44Å; G106-F145 WeakPolarHBondContact CA-O 3.29Å; I107-F145 PolarHBondContact N-O 2.75Å; I107-F145 VanDerWaalsContact N-O 3.14Å; F145-V184 CarbonylContact C-O 3.59Å; F145-V184 WeakPolarHBondContact CA-O 3.37Å; F145-V184 HydrophobicContact CB-CB 3.9Å; F145-V184 WeakPolarHBondContact CB-O 3.43Å; F145-I186 HydrophobicContact CD2-CD1 3.43Å; F145-I186 VanDerWaalsContact CD2-CD1 3.43Å; F145-I186 HydrophobicContact CD2-CG1 4Å; F145-I186 HydrophobicContact CE2-CD1 3.55Å
146A98.9Very high98.1Very high0 Ų038.9 Ų38.90%020%0.199CC..EExtended strand (participates in β ladder)trans-126162.6178.600000109.9I107 V109 Y174 L183 V184 I186I107-A146 HydrophobicContact CG2-CB 4.37Å; I107-A146 CarbonylContact O-C 3.23Å; I107-A146 WeakPolarHBondContact O-CA 3.38Å; V109-A146 HydrophobicContact CG1-CB 3.98Å; V109-A146 HydrophobicContact CG2-CB 4.12Å; A146-Y174 HydrophobicContact CB-CE2 4.02Å; A146-Y174 PolarHBondContact O-OH 3.44Å; A146-L183 HydrophobicContact CB-CB 4.44Å; A146-L183 HydrophobicContact CB-CD1 4.29Å; A146-V184 PolarHBondContact N-O 3.36Å; A146-I186 WeakPolarHBondContact O-CB 3.33Å; A146-I186 WeakPolarHBondContact O-CG1 3.29Å; A146-I186 PolarHBondContact O-N 3.4Å
147K98.8Very high97.9Very high0 Ų043.4 Ų43.40%021%0.212CC..EExtended strand (participates in β ladder)trans-129.4136.3174.3-163.9-156.286.21610110.6D34 I78 I107 V109 Y174 I186 E188 K230D34-K147 IonicContact OD1-NZ 3.21Å; D34-K147 WeakPolarHBondContact OD2-CE 3.49Å; D34-K147 IonicContact OD2-NZ 3.83Å; D34-K147 PolarHBondContact OD2-NZ 2.53Å; I78-K147 HydrophobicContact CD1-CB 4.12Å; I78-K147 HydrophobicContact CD1-CD 3.51Å; I78-K147 HydrophobicContact CD1-CG 3.96Å; I78-K147 HydrophobicContact CG2-CB 3.86Å; I78-K147 HydrophobicContact CG2-CD 4.19Å; I107-K147 PolarHBondContact O-N 3.46Å; V109-K147 PolarHBondContact N-O 3.3Å; K147-Y174 WeakPolarHBondContact CA-OH 3.1Å; K147-Y174 PolarHBondContact N-OH 3.17Å; K147-I186 HydrophobicContact CB-CB 4.43Å; K147-I186 HydrophobicContact CG-CB 4.22Å; K147-I186 HydrophobicContact CG-CG2 4.21Å; K147-E188 WeakPolarHBondContact CD-OE2 3.23Å; K147-E188 WeakPolarHBondContact CE-OE2 3.43Å; K147-E188 WeakPolarHBondContact CG-OE2 3.43Å; K147-E188 IonicContact NZ-OE2 2.87Å; K147-E188 PolarHBondContact NZ-OE2 3.03Å; K147-K230 HydrophobicContact CD-CD 4.49Å
148W98.8Very high97.8Very high0 Ų040.9 Ų40.90%020%0.201CC..EExtended strand (participates in β ladder)trans-134.4122.5170.6-169.4-65.6000110.1V109 D110 T125 Q126 G127 L128 L131 V170 L171 Y174 I186 E188V109-W148 HydrophobicContact CG2-CE3 3.84Å; V109-W148 HydrophobicContact CG2-CZ3 4.43Å; D110-W148 HydrophobicContact CB-CD2 3.59Å; D110-W148 HydrophobicContact CB-CE3 3.96Å; D110-W148 HydrophobicContact CB-CG 3.93Å; D110-W148 HydrophobicContact CB-CH2 4.35Å; D110-W148 HydrophobicContact CB-CZ2 4.05Å; D110-W148 HydrophobicContact CB-CZ3 4.31Å; T125-W148 HydrophobicContact CG2-CZ2 4.16Å; Q126-W148 WeakPolarHBondContact O-CH2 3.31Å; Q126-W148 WeakPolarHBondContact O-CZ2 3.45Å; G127-W148 VanDerWaalsContact C-CH2 3.4Å; L128-W148 HydrophobicContact CD2-CH2 3.77Å; L128-W148 HydrophobicContact CD2-CZ2 4.28Å; L128-W148 HydrophobicContact CD2-CZ3 4Å; L128-W148 HydrophobicContact CG-CH2 3.8Å; L128-W148 HydrophobicContact CG-CZ2 4.19Å; L131-W148 HydrophobicContact CD1-CZ3 4.26Å; L131-W148 HydrophobicContact CD2-CE3 4.4Å; L131-W148 HydrophobicContact CD2-CZ3 3.93Å; W148-V170 HydrophobicContact CZ2-CG1 3.73Å; W148-L171 HydrophobicContact CB-CD2 4.24Å; W148-L171 HydrophobicContact CG-CD2 4.22Å; W148-L171 WeakPolarHBondContact O-CD2 3.28Å; W148-Y174 HydrophobicContact CB-CD1 3.37Å; W148-Y174 HydrophobicContact CB-CD2 3.7Å; W148-Y174 HydrophobicContact CB-CE1 3.38Å; W148-Y174 HydrophobicContact CB-CE2 3.67Å; W148-Y174 HydrophobicContact CB-CG 3.53Å; W148-Y174 HydrophobicContact CD2-CD1 4.49Å; W148-Y174 HydrophobicContact CD2-CD2 4.05Å; W148-Y174 AromaticContact CD2-CG 3.88Å; W148-Y174 HydrophobicContact CD2-CG 3.88Å; W148-Y174 AromaticContact CE3-CD2 3.47Å; W148-Y174 HydrophobicContact CE3-CD2 3.47Å; W148-Y174 VanDerWaalsContact CE3-CD2 3.47Å; W148-Y174 HydrophobicContact CE3-CE2 4.27Å; W148-Y174 AromaticContact CE3-CG 3.71Å; W148-Y174 HydrophobicContact CE3-CG 3.71Å; W148-Y174 AromaticContact CG-CD1 3.97Å; W148-Y174 HydrophobicContact CG-CD1 3.97Å; W148-Y174 HydrophobicContact CG-CD2 4.18Å; W148-Y174 HydrophobicContact CG-CE1 4.43Å; W148-Y174 AromaticContact CG-CG 3.83Å; W148-Y174 HydrophobicContact CG-CG 3.83Å; W148-Y174 HydrophobicContact CZ3-CD2 4.41Å; W148-I186 PolarHBondContact N-O 3.41Å; W148-E188 WeakPolarHBondContact O-CB 3.11Å; W148-E188 PolarHBondContact O-N 2.95Å; W148-E188 VanDerWaalsContact O-N 3.11Å
149R98.5Very high97.8Very high2 Ų241.3 Ų41.31%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-106127.1-178.6176.2177.5-177.2-110.310112.2D110 T125 V151 E188 E190 H361 Y363D110-R149 PolarHBondContact OD2-N 3.01Å; T125-R149 VanDerWaalsContact CG2-O 3.23Å; T125-R149 WeakPolarHBondContact CG2-O 3.36Å; T125-R149 PolarHBondContact OG1-O 3.29Å; R149-V151 HydrophobicContact CG-CG1 4.19Å; R149-V151 VanDerWaalsContact NH1-CG1 3.29Å; R149-E188 WeakPolarHBondContact CA-O 3.35Å; R149-E188 HydrophobicContact CB-CB 4.25Å; R149-E188 HydrophobicContact CB-CG 3.98Å; R149-E188 HydrophobicContact CG-CG 3.89Å; R149-E190 IonicContact CZ-OE2 3.13Å; R149-E190 IonicContact NE-OE2 3.06Å; R149-E190 PolarHBondContact NE-OE2 3.18Å; R149-E190 VanDerWaalsContact NH2-CD 3.27Å; R149-E190 IonicContact NH2-OE1 2.75Å; R149-E190 PolarHBondContact NH2-OE1 2.96Å; R149-E190 IonicContact NH2-OE2 2.67Å; R149-E190 PolarHBondContact NH2-OE2 3.22Å; R149-H361 PolarHBondContact NH1-O 3.27Å; R149-H361 PolarHBondContact NH2-O 3.2Å; R149-Y363 VanDerWaalsContact CD-CE2 3.45Å
150C98.7Very high97.8Very high0 Ų036.9 Ų36.90%019%0.192CC..EExtended strand (participates in β ladder)trans-109.7150.8163.2-69.70000109.7T125 N167 L171 E188 E190T125-C150 PolarHBondContact OG1-SG 3.09Å; C150-N167 HydrophobicContact CB-CB 3.86Å; C150-N167 WeakPolarHBondContact CB-OD1 3.33Å; C150-N167 PolarHBondContact SG-OD1 3.38Å; C150-L171 HydrophobicContact CB-CD1 4.14Å; C150-L171 HydrophobicContact CB-CG 4.37Å; C150-E188 PolarHBondContact N-O 2.84Å; C150-E190 PolarHBondContact O-N 3.38Å
151V98Very high97.8Very high7 Ų736.3 Ų36.34%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-125.1138.6179.7-58.20000111.5V113 T123 R149 E190 L192V113-V151 HydrophobicContact CG1-CG2 3.8Å; V113-V151 HydrophobicContact CG2-CG1 4.35Å; V113-V151 HydrophobicContact CG2-CG2 4.05Å; T123-V151 WeakPolarHBondContact OG1-CG2 3.38Å; T123-V151 PolarHBondContact OG1-O 3.47Å; R149-V151 HydrophobicContact CG-CG1 4.19Å; R149-V151 VanDerWaalsContact NH1-CG1 3.29Å; V151-E190 CarbonylContact C-O 3.57Å; V151-E190 WeakPolarHBondContact CA-O 3.47Å; V151-L192 HydrophobicContact CB-CD1 4.01Å; V151-L192 HydrophobicContact CB-CG 4.19Å; V151-L192 HydrophobicContact CG1-CD2 4.46Å; V151-L192 HydrophobicContact CG2-CD1 4.35Å
152L98.5Very high97.8Very high6 Ų637.8 Ų37.83%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-131.4137.9179-61.4105.6000109.5P159 M164 E190 V191 L192 V209L152-P159 HydrophobicContact CB-CB 4.14Å; L152-P159 HydrophobicContact CD2-CB 3.74Å; L152-P159 HydrophobicContact CD2-CG 4.42Å; L152-M164 HydrophobicContact CD2-CG 3.85Å; L152-E190 PolarHBondContact N-O 3.45Å; L152-V191 WeakPolarHBondContact O-CA 3.06Å; L152-L192 PolarHBondContact O-N 2.9Å; L152-V209 HydrophobicContact CD1-CG1 3.87Å; L152-V209 HydrophobicContact CD1-CG2 4.39Å; L152-V209 HydrophobicContact CD2-CG2 3.97Å
153K96.9Very high97.9Very high64 Ų6436.7 Ų36.728%0.27819%0.188SC..  trans-108.2143.7-177.4-65.6179.8-171.3-177.50110.9T158 P159 L192 N360K153-T158 CarbonylContact O-C 3.03Å; K153-T158 VanDerWaalsContact O-CB 3.25Å; K153-T158 WeakPolarHBondContact O-CB 2.94Å; K153-T158 PolarHBondContact O-OG1 3.19Å; K153-P159 VanDerWaalsContact O-CD 3.3Å; K153-P159 WeakPolarHBondContact O-CD 3.38Å; K153-L192 HydrophobicContact CD-CD1 4.49Å; K153-L192 HydrophobicContact CG-CD1 3.7Å; K153-N360 WeakPolarHBondContact CE-OD1 3.31Å; K153-N360 PolarHBondContact NZ-OD1 2.63Å
154I98.1Very high97.9Very high15 Ų1537.3 Ų37.38%0.07719%0.191CC..  trans-94.2125.6172.1-56.9-175.6000109.4T158 V191 H197 T201 A202 V205I154-T158 WeakPolarHBondContact CA-O 2.85Å; I154-V191 HydrophobicContact CD1-CG1 3.65Å; I154-V191 HydrophobicContact CG1-CG1 3.72Å; I154-H197 HydrophobicContact CG2-CB 3.83Å; I154-T201 HydrophobicContact CG2-CG2 4.07Å; I154-A202 HydrophobicContact CD1-CB 4.38Å; I154-V205 HydrophobicContact CD1-CB 3.79Å; I154-V205 HydrophobicContact CD1-CG1 4.04Å; I154-V205 HydrophobicContact CD1-CG2 3.92Å; I154-V205 HydrophobicContact CG1-CB 4.14Å; I154-V205 HydrophobicContact CG1-CG1 3.93Å; I154-V205 HydrophobicContact CG1-CG2 4.08Å; I154-V205 HydrophobicContact CG2-CG2 4.38Å
155S96.2Very high97.9Very high62 Ų6236.4 Ų36.443%0.43419%0.192SC..SBendtrans-148.6-166.8169.5730000109.5H157 T158S155-H157 PolarHBondContact O-N 3.19Å; S155-H157 PolarHBondContact OG-N 3.27Å; S155-T158 WeakPolarHBondContact CB-OG1 3.48Å; S155-T158 PolarHBondContact N-O 3.28Å; S155-T158 PolarHBondContact N-OG1 3.19Å; S155-T158 WeakPolarHBondContact OG-CB 3.46Å; S155-T158 PolarHBondContact OG-N 3.09Å; S155-T158 PolarHBondContact OG-OG1 2.93Å
156S93.8Very high97.9Very high105 Ų10539.6 Ų39.673%0.73421%0.207SC*.SBendtrans-63.7-23.7173.155.30000113.5
157H93.2Very high97.9Very high140 Ų14039.8 Ų39.865%0.64821%0.208SC*.SBendtrans-129.2-3.8-174.9-57.2-54.1000114.3S155S155-H157 PolarHBondContact O-N 3.19Å; S155-H157 PolarHBondContact OG-N 3.27Å
158T97.8Very high97.9Very high14 Ų1439.9 Ų39.99%0.08621%0.209CC..  trans-121.6149.2-179.770.10000111.1E122 K153 I154 S155E122-T158 HydrophobicContact CG-CG2 3.66Å; K153-T158 CarbonylContact O-C 3.03Å; K153-T158 VanDerWaalsContact O-CB 3.25Å; K153-T158 WeakPolarHBondContact O-CB 2.94Å; K153-T158 PolarHBondContact O-OG1 3.19Å; I154-T158 WeakPolarHBondContact CA-O 2.85Å; S155-T158 WeakPolarHBondContact CB-OG1 3.48Å; S155-T158 PolarHBondContact N-O 3.28Å; S155-T158 PolarHBondContact N-OG1 3.19Å; S155-T158 WeakPolarHBondContact OG-CB 3.46Å; S155-T158 PolarHBondContact OG-N 3.09Å; S155-T158 PolarHBondContact OG-OG1 2.93Å
159P98.4Very high97.9Very high14 Ų1442 Ų429%0.09122%0.221CC..SBendcis-73.6136.7-1.930.6-33.9000111.6E122 L152 K153 M164 V205 V209E122-P159 WeakPolarHBondContact OE1-CA 3.33Å; L152-P159 HydrophobicContact CB-CB 4.14Å; L152-P159 HydrophobicContact CD2-CB 3.74Å; L152-P159 HydrophobicContact CD2-CG 4.42Å; K153-P159 VanDerWaalsContact O-CD 3.3Å; K153-P159 WeakPolarHBondContact O-CD 3.38Å; P159-M164 HydrophobicContact CB-CG 3.92Å; P159-M164 HydrophobicContact CG-CG 4.07Å; P159-M164 HydrophobicContact CG-SD 4.08Å; P159-V205 HydrophobicContact CG-CG1 3.57Å; P159-V209 HydrophobicContact CG-CG2 4.27Å
160S98.4Very high97.9Very high29 Ų2942.1 Ų42.120%0.20322%0.221CC..  trans-72.6162.7175.674.60000110.8E122 L162 A163 M164E122-S160 PolarHBondContact OE1-N 3.47Å; E122-S160 WeakPolarHBondContact OE2-CB 3.28Å; E122-S160 PolarHBondContact OE2-OG 2.96Å; S160-L162 PolarHBondContact O-N 3.4Å; S160-L162 PolarHBondContact OG-N 3.35Å; S160-A163 PolarHBondContact O-N 3.16Å; S160-A163 PolarHBondContact OG-N 2.73Å; S160-A163 VanDerWaalsContact OG-N 3.11Å; S160-M164 PolarHBondContact O-N 2.98Å
161Y98.3Very high97.9Very high153 Ų15342.1 Ų42.160%0.622%0.221SC*.Hα-helixtrans-53.3-42.5170.5180-86.5000111.6M164 L165 F212Y161-M164 PolarHBondContact O-N 3.45Å; Y161-L165 HydrophobicContact CE1-CB 4.4Å; Y161-L165 HydrophobicContact CE1-CD2 3.9Å; Y161-L165 VanDerWaalsContact O-CB 3.26Å; Y161-L165 WeakPolarHBondContact O-CB 3.23Å; Y161-L165 PolarHBondContact O-N 3.04Å; Y161-F212 AromaticContact CD2-CE1 3.97Å; Y161-F212 HydrophobicContact CD2-CE1 3.97Å; Y161-F212 AromaticContact CD2-CZ 3.5Å; Y161-F212 HydrophobicContact CD2-CZ 3.5Å; Y161-F212 VanDerWaalsContact CD2-CZ 3.5Å; Y161-F212 AromaticContact CE2-CE1 3.65Å; Y161-F212 HydrophobicContact CE2-CE1 3.65Å; Y161-F212 AromaticContact CE2-CZ 3.44Å; Y161-F212 HydrophobicContact CE2-CZ 3.44Å; Y161-F212 VanDerWaalsContact CE2-CZ 3.44Å; Y161-F212 HydrophobicContact CG-CZ 4.36Å
162L98.5Very high97.9Very high77 Ų7741.8 Ų41.840%0.40322%0.219SC..Hα-helixtrans-65.4-44.5-179.2179.257.2000111.5L116 T119 S160 L165 E166L116-L162 HydrophobicContact CD2-CG 4.38Å; T119-L162 HydrophobicContact CG2-CB 4.45Å; T119-L162 HydrophobicContact CG2-CD2 3.8Å; T119-L162 HydrophobicContact CG2-CG 4.21Å; S160-L162 PolarHBondContact O-N 3.4Å; S160-L162 PolarHBondContact OG-N 3.35Å; L162-L165 PolarHBondContact O-N 3.03Å; L162-E166 VanDerWaalsContact O-CB 3.32Å; L162-E166 WeakPolarHBondContact O-CB 3.41Å; L162-E166 PolarHBondContact O-N 2.81Å
163A98.8Very high97.9Very high1 Ų147.2 Ų47.21%0.00824%0.239CC..Hα-helixtrans-65.7-40.7178.500000112.7L116 E122 S160 N167L116-A163 HydrophobicContact CD2-CB 4.01Å; E122-A163 HydrophobicContact CB-CB 3.99Å; E122-A163 HydrophobicContact CG-CB 4.3Å; E122-A163 WeakPolarHBondContact OE1-CB 3.35Å; S160-A163 PolarHBondContact O-N 3.16Å; S160-A163 PolarHBondContact OG-N 2.73Å; S160-A163 VanDerWaalsContact OG-N 3.11Å; A163-N167 WeakPolarHBondContact O-CB 3.42Å; A163-N167 PolarHBondContact O-N 3.38Å; A163-N167 VanDerWaalsContact O-N 3.09Å; A163-N167 PolarHBondContact O-ND2 2.82Å
164M98.8Very high98Very high13 Ų1344.2 Ų44.26%0.06423%0.226CC..Hα-helixtrans-63.4-45.2174.4-69.1-170-77.100111.7L152 P159 S160 Y161 A168 Q208 V209 F212L152-M164 HydrophobicContact CD2-CG 3.85Å; P159-M164 HydrophobicContact CB-CG 3.92Å; P159-M164 HydrophobicContact CG-CG 4.07Å; P159-M164 HydrophobicContact CG-SD 4.08Å; S160-M164 PolarHBondContact O-N 2.98Å; Y161-M164 PolarHBondContact O-N 3.45Å; M164-A168 WeakPolarHBondContact O-CB 3.32Å; M164-A168 PolarHBondContact O-N 3.19Å; M164-A168 VanDerWaalsContact O-N 3.1Å; M164-Q208 HydrophobicContact SD-CB 3.86Å; M164-V209 HydrophobicContact CG-CG2 4.09Å; M164-V209 HydrophobicContact SD-CG2 3.97Å; M164-F212 HydrophobicContact CB-CB 4.25Å; M164-F212 HydrophobicContact CB-CD1 4Å; M164-F212 HydrophobicContact CB-CD2 3.87Å; M164-F212 HydrophobicContact CB-CE1 4.3Å; M164-F212 HydrophobicContact CB-CE2 4.19Å; M164-F212 HydrophobicContact CB-CG 3.78Å; M164-F212 HydrophobicContact CB-CZ 4.39Å; M164-F212 HydrophobicContact CE-CD2 4.39Å; M164-F212 HydrophobicContact CE-CE2 3.87Å; M164-F212 HydrophobicContact CE-CZ 4.36Å; M164-F212 HydrophobicContact SD-CD2 3.98Å; M164-F212 HydrophobicContact SD-CE2 4.06Å
165L98.8Very high98.1Very high62 Ų6243.5 Ų43.533%0.32522%0.222SC..Hα-helixtrans-62.3-49.9178.6-178.367.4000111.9Y161 L162 A168 N169 F212Y161-L165 HydrophobicContact CE1-CB 4.4Å; Y161-L165 HydrophobicContact CE1-CD2 3.9Å; Y161-L165 VanDerWaalsContact O-CB 3.26Å; Y161-L165 WeakPolarHBondContact O-CB 3.23Å; Y161-L165 PolarHBondContact O-N 3.04Å; L162-L165 PolarHBondContact O-N 3.03Å; L165-A168 PolarHBondContact O-N 3Å; L165-N169 WeakPolarHBondContact CD1-ND2 3.34Å; L165-N169 PolarHBondContact O-N 3.46Å; L165-N169 PolarHBondContact O-ND2 2.67Å; L165-F212 HydrophobicContact CB-CD1 4.25Å; L165-F212 HydrophobicContact CB-CE1 4.17Å; L165-F212 HydrophobicContact CD1-CD1 4.4Å; L165-F212 HydrophobicContact CD1-CE1 4.48Å
166E98.7Very high98.2Very high68 Ų6841.2 Ų41.232%0.31821%0.206SC..Hα-helixtrans-65.8-49.2-175.7-179.157.6-15500111.4L116 L162 A168 N169 V170L116-E166 HydrophobicContact CD1-CB 4.41Å; L116-E166 HydrophobicContact CD1-CG 3.9Å; L116-E166 HydrophobicContact CD2-CB 4.1Å; L116-E166 HydrophobicContact CD2-CG 4.37Å; L162-E166 VanDerWaalsContact O-CB 3.32Å; L162-E166 WeakPolarHBondContact O-CB 3.41Å; L162-E166 PolarHBondContact O-N 2.81Å; E166-A168 VanDerWaalsContact C-N 3.3Å; E166-A168 PolarHBondContact O-N 2.91Å; E166-N169 PolarHBondContact O-N 3.01Å; E166-V170 WeakPolarHBondContact O-CG2 3.24Å; E166-V170 PolarHBondContact O-N 2.9Å
167N98.9Very high98.4Very high3 Ų337.7 Ų37.72%0.01618%0.179CC..Hα-helixtrans-64-36.3179.8-76.5-79.7000112T123 C150 A163 L171T123-N167 PolarHBondContact O-ND2 3.03Å; T123-N167 PolarHBondContact O-OD1 2.96Å; C150-N167 HydrophobicContact CB-CB 3.86Å; C150-N167 WeakPolarHBondContact CB-OD1 3.33Å; C150-N167 PolarHBondContact SG-OD1 3.38Å; A163-N167 WeakPolarHBondContact O-CB 3.42Å; A163-N167 PolarHBondContact O-N 3.38Å; A163-N167 VanDerWaalsContact O-N 3.09Å; A163-N167 PolarHBondContact O-ND2 2.82Å; N167-L171 WeakPolarHBondContact O-CB 3.2Å; N167-L171 VanDerWaalsContact O-CG 3.25Å; N167-L171 WeakPolarHBondContact O-CG 3.45Å; N167-L171 PolarHBondContact O-N 3.37Å
168A98.9Very high98.7Very high3 Ų331 Ų313%0.02515%0.148CC..Hα-helixtrans-63.8-43.6174.300000112.2M164 L165 E166 L171 A172 F212 V213 A216M164-A168 WeakPolarHBondContact O-CB 3.32Å; M164-A168 PolarHBondContact O-N 3.19Å; M164-A168 VanDerWaalsContact O-N 3.1Å; L165-A168 PolarHBondContact O-N 3Å; E166-A168 VanDerWaalsContact C-N 3.3Å; E166-A168 PolarHBondContact O-N 2.91Å; A168-L171 PolarHBondContact O-N 3.49Å; A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 3.5Å; A168-F212 HydrophobicContact CB-CB 4.01Å; A168-F212 WeakPolarHBondContact CB-O 3.34Å; A168-V213 HydrophobicContact CB-CG2 4.2Å; A168-A216 HydrophobicContact CB-CB 3.8Å; A168-A216 WeakPolarHBondContact O-CB 3.17Å
169N98.9Very high98.7Very high45 Ų4530.4 Ų30.424%0.24114%0.144CC..Hα-helixtrans-65.3-42176.4-79.8-65.6000112.1L165 E166 L171 A172 R173L165-N169 WeakPolarHBondContact CD1-ND2 3.34Å; L165-N169 PolarHBondContact O-N 3.46Å; L165-N169 PolarHBondContact O-ND2 2.67Å; E166-N169 PolarHBondContact O-N 3.01Å; N169-L171 PolarHBondContact O-N 2.78Å; N169-A172 PolarHBondContact O-N 3.07Å; N169-R173 WeakPolarHBondContact O-CG 3.35Å; N169-R173 PolarHBondContact O-N 3.06Å
170V98.9Very high98.7Very high4 Ų434.2 Ų34.22%0.02416%0.161CC..Hα-helixtrans-58.4-48.2174.5167.10000110.8L128 W148 E166 A172 R173 Y174L128-V170 HydrophobicContact CD1-CG1 4.25Å; L128-V170 HydrophobicContact CD1-CG2 4.28Å; W148-V170 HydrophobicContact CZ2-CG1 3.73Å; E166-V170 WeakPolarHBondContact O-CG2 3.24Å; E166-V170 PolarHBondContact O-N 2.9Å; V170-A172 VanDerWaalsContact C-N 3.33Å; V170-A172 PolarHBondContact O-N 2.73Å; V170-R173 PolarHBondContact O-N 2.85Å; V170-Y174 WeakPolarHBondContact O-CB 3.28Å; V170-Y174 PolarHBondContact O-N 2.57Å
171L98.9Very high98.7Very high0 Ų034.6 Ų34.60%016%0.161CC..Hα-helixtrans-61.5-38.7177.6-73.8167.9000112.4W148 C150 N167 A168 N169 Y174 A175 V187 P189 V213W148-L171 HydrophobicContact CB-CD2 4.24Å; W148-L171 HydrophobicContact CG-CD2 4.22Å; W148-L171 WeakPolarHBondContact O-CD2 3.28Å; C150-L171 HydrophobicContact CB-CD1 4.14Å; C150-L171 HydrophobicContact CB-CG 4.37Å; N167-L171 WeakPolarHBondContact O-CB 3.2Å; N167-L171 VanDerWaalsContact O-CG 3.25Å; N167-L171 WeakPolarHBondContact O-CG 3.45Å; N167-L171 PolarHBondContact O-N 3.37Å; A168-L171 PolarHBondContact O-N 3.49Å; N169-L171 PolarHBondContact O-N 2.78Å; L171-Y174 HydrophobicContact CD2-CD1 4.45Å; L171-Y174 WeakPolarHBondContact O-CD1 3.47Å; L171-A175 VanDerWaalsContact O-CB 3.3Å; L171-A175 WeakPolarHBondContact O-CB 3.43Å; L171-A175 PolarHBondContact O-N 3.33Å; L171-V187 HydrophobicContact CB-CG1 4.03Å; L171-V187 HydrophobicContact CD1-CG1 3.94Å; L171-V187 HydrophobicContact CD2-CG1 4.11Å; L171-V187 HydrophobicContact CG-CG1 4.24Å; L171-P189 HydrophobicContact CD1-CB 3.87Å; L171-V213 HydrophobicContact CD1-CG2 4.13Å
172A98.9Very high98.8Very high0 Ų028.2 Ų28.20%014%0.141CC..Hα-helixtrans-72.1-38.4179.800000113.5A168 N169 V170 A175 S176 A216 L217 H220A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 3.5Å; N169-A172 PolarHBondContact O-N 3.07Å; V170-A172 VanDerWaalsContact C-N 3.33Å; V170-A172 PolarHBondContact O-N 2.73Å; A172-A175 PolarHBondContact O-N 2.83Å; A172-S176 PolarHBondContact O-N 2.83Å; A172-S176 VanDerWaalsContact O-N 3.08Å; A172-S176 PolarHBondContact O-OG 2.66Å; A172-S176 VanDerWaalsContact O-OG 3.11Å; A172-A216 HydrophobicContact CB-CB 3.83Å; A172-A216 WeakPolarHBondContact CB-O 3.19Å; A172-L217 HydrophobicContact CB-CD2 4.08Å; A172-H220 HydrophobicContact CB-CB 3.95Å; A172-H220 WeakPolarHBondContact CB-CD2 3.41Å
173R98.8Very high98.8Very high120 Ų12024.5 Ų24.545%0.45312%0.122SC..Hα-helixtrans-63.6-45.9171.4-70.3174.966.9-163.8-1.2111.3L128 N169 V170 A175 S176 I177 H220L128-R173 HydrophobicContact CD1-CB 4.19Å; L128-R173 HydrophobicContact CD2-CB 4.23Å; N169-R173 WeakPolarHBondContact O-CG 3.35Å; N169-R173 PolarHBondContact O-N 3.06Å; V170-R173 PolarHBondContact O-N 2.85Å; R173-A175 VanDerWaalsContact C-N 3.35Å; R173-A175 PolarHBondContact O-N 3.16Å; R173-S176 PolarHBondContact O-OG 2.8Å; R173-I177 WeakPolarHBondContact O-CD1 3.42Å; R173-I177 VanDerWaalsContact O-CG1 3.25Å; R173-I177 WeakPolarHBondContact O-CG1 3.38Å; R173-I177 PolarHBondContact O-N 3.16Å; R173-I177 VanDerWaalsContact O-N 3.15Å; R173-H220 WeakPolarHBondContact CG-CE1 3.43Å
174Y98.8Very high98.8Very high0 Ų024.5 Ų24.50%012%0.122CC..Hα-helixtrans-55.6-49.7173.3145.9-105.8000111.5V109 L131 A146 K147 W148 V170 L171 S176 I177 C178 P185 I186 V187V109-Y174 HydrophobicContact CG2-CD2 3.79Å; V109-Y174 HydrophobicContact CG2-CE2 3.45Å; V109-Y174 VanDerWaalsContact CG2-CE2 3.45Å; L131-Y174 HydrophobicContact CD2-CD2 4.17Å; A146-Y174 HydrophobicContact CB-CE2 4.02Å; A146-Y174 PolarHBondContact O-OH 3.44Å; K147-Y174 WeakPolarHBondContact CA-OH 3.1Å; K147-Y174 PolarHBondContact N-OH 3.17Å; W148-Y174 HydrophobicContact CB-CD1 3.37Å; W148-Y174 HydrophobicContact CB-CD2 3.7Å; W148-Y174 HydrophobicContact CB-CE1 3.38Å; W148-Y174 HydrophobicContact CB-CE2 3.67Å; W148-Y174 HydrophobicContact CB-CG 3.53Å; W148-Y174 HydrophobicContact CD2-CD1 4.49Å; W148-Y174 HydrophobicContact CD2-CD2 4.05Å; W148-Y174 AromaticContact CD2-CG 3.88Å; W148-Y174 HydrophobicContact CD2-CG 3.88Å; W148-Y174 AromaticContact CE3-CD2 3.47Å; W148-Y174 HydrophobicContact CE3-CD2 3.47Å; W148-Y174 VanDerWaalsContact CE3-CD2 3.47Å; W148-Y174 HydrophobicContact CE3-CE2 4.27Å; W148-Y174 AromaticContact CE3-CG 3.71Å; W148-Y174 HydrophobicContact CE3-CG 3.71Å; W148-Y174 AromaticContact CG-CD1 3.97Å; W148-Y174 HydrophobicContact CG-CD1 3.97Å; W148-Y174 HydrophobicContact CG-CD2 4.18Å; W148-Y174 HydrophobicContact CG-CE1 4.43Å; W148-Y174 AromaticContact CG-CG 3.83Å; W148-Y174 HydrophobicContact CG-CG 3.83Å; W148-Y174 HydrophobicContact CZ3-CD2 4.41Å; V170-Y174 WeakPolarHBondContact O-CB 3.28Å; V170-Y174 PolarHBondContact O-N 2.57Å; L171-Y174 HydrophobicContact CD2-CD1 4.45Å; L171-Y174 WeakPolarHBondContact O-CD1 3.47Å; Y174-S176 PolarHBondContact O-N 3.06Å; Y174-I177 PolarHBondContact O-N 2.66Å; Y174-C178 VanDerWaalsContact CD2-SG 3.55Å; Y174-C178 HydrophobicContact CE2-CB 4.41Å; Y174-C178 WeakPolarHBondContact CE2-SG 3.39Å; Y174-C178 PolarHBondContact O-N 2.96Å; Y174-P185 HydrophobicContact CD1-CB 4.5Å; Y174-P185 HydrophobicContact CE1-CB 3.66Å; Y174-P185 HydrophobicContact CE2-CB 4.43Å; Y174-P185 VanDerWaalsContact OH-CA 3.27Å; Y174-P185 WeakPolarHBondContact OH-CA 3.32Å; Y174-P185 WeakPolarHBondContact OH-CB 3.12Å; Y174-I186 PolarHBondContact OH-N 3.36Å; Y174-I186 VanDerWaalsContact OH-N 3.11Å; Y174-I186 PolarHBondContact OH-O 2.96Å; Y174-V187 HydrophobicContact CE1-CG2 4.38Å
175A98.9Very high98.8Very high0 Ų023.9 Ų23.90%012%0.119CC..Hα-helixtrans-61.8-46.6-175.400000112.2L171 A172 R173 I177 C178 Q179 P185 V187 L217 V222L171-A175 VanDerWaalsContact O-CB 3.3Å; L171-A175 WeakPolarHBondContact O-CB 3.43Å; L171-A175 PolarHBondContact O-N 3.33Å; A172-A175 PolarHBondContact O-N 2.83Å; R173-A175 VanDerWaalsContact C-N 3.35Å; R173-A175 PolarHBondContact O-N 3.16Å; A175-I177 PolarHBondContact O-N 3.21Å; A175-C178 PolarHBondContact O-N 3.25Å; A175-Q179 WeakPolarHBondContact O-CG 3.32Å; A175-Q179 PolarHBondContact O-N 2.88Å; A175-P185 HydrophobicContact CB-CB 3.89Å; A175-P185 HydrophobicContact CB-CG 3.74Å; A175-V187 HydrophobicContact CB-CG2 4.24Å; A175-L217 HydrophobicContact CB-CD2 3.94Å; A175-V222 HydrophobicContact CB-CG1 4Å; A175-V222 HydrophobicContact CB-CG2 3.96Å
176S98.4Very high98.8Very high14 Ų1420.9 Ų20.910%0.09810%0.103CC..Hα-helixtrans-63.5-40.6177.954.30000112.4A172 R173 Y174 Q179 Q180A172-S176 PolarHBondContact O-N 2.83Å; A172-S176 VanDerWaalsContact O-N 3.08Å; A172-S176 PolarHBondContact O-OG 2.66Å; A172-S176 VanDerWaalsContact O-OG 3.11Å; R173-S176 PolarHBondContact O-OG 2.8Å; Y174-S176 PolarHBondContact O-N 3.06Å; S176-Q179 PolarHBondContact O-N 3.22Å; S176-Q180 WeakPolarHBondContact O-CG 3.49Å; S176-Q180 PolarHBondContact O-N 3.47Å
177I98.7Very high98.8Very high32 Ų3217.8 Ų17.816%0.1649%0.089CC..Hα-helixtrans-63.7-42.2175.8-67.2165.7000111.4L131 A132 R173 Y174 A175 N181L131-I177 HydrophobicContact CB-CD1 4.47Å; L131-I177 HydrophobicContact CB-CG2 4.1Å; L131-I177 HydrophobicContact CD2-CB 4.03Å; L131-I177 HydrophobicContact CD2-CD1 4.04Å; L131-I177 HydrophobicContact CD2-CG2 3.87Å; L131-I177 HydrophobicContact CG-CB 4.43Å; L131-I177 HydrophobicContact CG-CG2 3.71Å; A132-I177 HydrophobicContact CB-CG2 3.91Å; R173-I177 WeakPolarHBondContact O-CD1 3.42Å; R173-I177 VanDerWaalsContact O-CG1 3.25Å; R173-I177 WeakPolarHBondContact O-CG1 3.38Å; R173-I177 PolarHBondContact O-N 3.16Å; R173-I177 VanDerWaalsContact O-N 3.15Å; Y174-I177 PolarHBondContact O-N 2.66Å; A175-I177 PolarHBondContact O-N 3.21Å; I177-N181 PolarHBondContact O-N 2.8Å; I177-N181 PolarHBondContact O-ND2 3.04Å
178C98.9Very high98.8Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-61.9-46.2176-77.80000112.3Y174 A175 Q180 N181 G182 L183 P185Y174-C178 VanDerWaalsContact CD2-SG 3.55Å; Y174-C178 HydrophobicContact CE2-CB 4.41Å; Y174-C178 WeakPolarHBondContact CE2-SG 3.39Å; Y174-C178 PolarHBondContact O-N 2.96Å; A175-C178 PolarHBondContact O-N 3.25Å; C178-Q180 PolarHBondContact O-N 3.26Å; C178-N181 CarbonylContact O-C 3.26Å; C178-N181 WeakPolarHBondContact O-CA 3.35Å; C178-N181 PolarHBondContact O-N 2.84Å; C178-G182 PolarHBondContact O-N 3.02Å; C178-L183 CarbonylContact C-O 3.55Å; C178-L183 VanDerWaalsContact C-O 3.26Å; C178-L183 HydrophobicContact CB-CB 4.14Å; C178-L183 PolarHBondContact O-N 3.45Å; C178-P185 HydrophobicContact CB-CB 4.05Å
179Q98.8Very high98.8Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-63.2-41.2-179.2-71.4-173.2-3200112.2Y7 L8 L16 A175 S176 N181 G182 L183 P185 Y223 G226Y7-Q179 HydrophobicContact CE2-CB 4.18Å; Y7-Q179 PolarHBondContact OH-OE1 3.35Å; L8-Q179 HydrophobicContact CD1-CB 4.25Å; L8-Q179 HydrophobicContact CD2-CB 4.25Å; L8-Q179 WeakPolarHBondContact CD2-O 3.41Å; L16-Q179 HydrophobicContact CD1-CB 3.84Å; L16-Q179 HydrophobicContact CD1-CG 3.82Å; A175-Q179 WeakPolarHBondContact O-CG 3.32Å; A175-Q179 PolarHBondContact O-N 2.88Å; S176-Q179 PolarHBondContact O-N 3.22Å; Q179-N181 PolarHBondContact O-N 2.87Å; Q179-N181 VanDerWaalsContact O-N 3.14Å; Q179-G182 PolarHBondContact O-N 3.06Å; Q179-L183 PolarHBondContact N-O 3.47Å; Q179-P185 HydrophobicContact CG-CG 4.02Å; Q179-Y223 PolarHBondContact NE2-O 3.46Å; Q179-G226 PolarHBondContact NE2-O 2.81Å; Q179-G226 VanDerWaalsContact NE2-O 3.1Å
180Q98.3Very high98.8Very high94 Ų9415.8 Ų15.844%0.4398%0.077SC..Hα-helixtrans-59-24.9174.3-73.9173.81500113.1Y7 S176 C178Y7-Q180 HydrophobicContact CD2-CG 3.44Å; Y7-Q180 VanDerWaalsContact CD2-CG 3.44Å; Y7-Q180 HydrophobicContact CE2-CG 4.08Å; Y7-Q180 HydrophobicContact CG-CG 4.24Å; S176-Q180 WeakPolarHBondContact O-CG 3.49Å; S176-Q180 PolarHBondContact O-N 3.47Å; C178-Q180 PolarHBondContact O-N 3.26Å
181N98.6Very high98.7Very high38 Ų3815.8 Ų15.820%0.2038%0.078CC..THydrogen-bonded Turntrans-104.517.3178.1-68.7-81000112.8A132 C135 I177 C178 Q179 L183A132-N181 PolarHBondContact O-OD1 3.08Å; C135-N181 HydrophobicContact CB-CB 3.62Å; I177-N181 PolarHBondContact O-N 2.8Å; I177-N181 PolarHBondContact O-ND2 3.04Å; C178-N181 CarbonylContact O-C 3.26Å; C178-N181 WeakPolarHBondContact O-CA 3.35Å; C178-N181 PolarHBondContact O-N 2.84Å; Q179-N181 PolarHBondContact O-N 2.87Å; Q179-N181 VanDerWaalsContact O-N 3.14Å; N181-L183 VanDerWaalsContact C-N 3.32Å; N181-L183 PolarHBondContact O-N 2.88Å
182G98.6Very high98.7Very high18 Ų1816 Ų1619%0.1868%0.079CC..THydrogen-bonded Turntrans72.418.7173.100000115.2C178 Q179C178-G182 PolarHBondContact O-N 3.02Å; Q179-G182 PolarHBondContact O-N 3.06Å
183L98.9Very high98.5Very high0 Ų016.7 Ų16.70%08%0.083CC..  trans-105129.6175.8-61.5177.8000110.3L16 C135 W139 C143 A146 C178 Q179 N181 P185L16-L183 VanDerWaalsContact CD2-C 3.5Å; C135-L183 HydrophobicContact CB-CD1 3.87Å; W139-L183 HydrophobicContact CB-CD2 4.11Å; W139-L183 HydrophobicContact CB-CG 4.47Å; W139-L183 HydrophobicContact CG-CD2 4.44Å; C143-L183 HydrophobicContact CB-CD2 4.23Å; C143-L183 VanDerWaalsContact O-CD2 3.28Å; C143-L183 WeakPolarHBondContact O-CD2 3.11Å; A146-L183 HydrophobicContact CB-CB 4.44Å; A146-L183 HydrophobicContact CB-CD1 4.29Å; C178-L183 CarbonylContact C-O 3.55Å; C178-L183 VanDerWaalsContact C-O 3.26Å; C178-L183 HydrophobicContact CB-CB 4.14Å; C178-L183 PolarHBondContact O-N 3.45Å; Q179-L183 PolarHBondContact N-O 3.47Å; N181-L183 VanDerWaalsContact C-N 3.32Å; N181-L183 PolarHBondContact O-N 2.88Å; L183-P185 VanDerWaalsContact O-CD 3.26Å; L183-P185 WeakPolarHBondContact O-CD 3.05Å
184V99Very high98.4Very high0 Ų012 Ų120%07%0.067CC..EExtended strand (participates in β ladder)trans-67.3119.2169.2172.40000109.2L16 I19 A20 R144 F145 A146 L228L16-V184 HydrophobicContact CB-CG2 4.24Å; L16-V184 HydrophobicContact CD2-CG2 3.84Å; L16-V184 VanDerWaalsContact O-CG2 3.22Å; L16-V184 WeakPolarHBondContact O-CG2 3.31Å; I19-V184 HydrophobicContact CB-CG2 3.73Å; I19-V184 HydrophobicContact CG2-CB 4.3Å; I19-V184 HydrophobicContact CG2-CG2 3.62Å; A20-V184 HydrophobicContact CB-CG1 4Å; A20-V184 HydrophobicContact CB-CG2 4.29Å; R144-V184 PolarHBondContact O-N 2.67Å; F145-V184 CarbonylContact C-O 3.59Å; F145-V184 WeakPolarHBondContact CA-O 3.37Å; F145-V184 HydrophobicContact CB-CB 3.9Å; F145-V184 WeakPolarHBondContact CB-O 3.43Å; A146-V184 PolarHBondContact N-O 3.36Å; V184-L228 HydrophobicContact CG1-CD1 4.41Å; V184-L228 HydrophobicContact CG1-CG 4.15Å
185P98.9Very high98.2Very high0 Ų013.4 Ų13.40%08%0.082CC..EExtended strand (participates in β ladder)trans-79.7128.2175.931.2-34.2000111.7Y174 A175 C178 Q179 L183 G226 T227 L228Y174-P185 HydrophobicContact CD1-CB 4.5Å; Y174-P185 HydrophobicContact CE1-CB 3.66Å; Y174-P185 HydrophobicContact CE2-CB 4.43Å; Y174-P185 VanDerWaalsContact OH-CA 3.27Å; Y174-P185 WeakPolarHBondContact OH-CA 3.32Å; Y174-P185 WeakPolarHBondContact OH-CB 3.12Å; A175-P185 HydrophobicContact CB-CB 3.89Å; A175-P185 HydrophobicContact CB-CG 3.74Å; C178-P185 HydrophobicContact CB-CB 4.05Å; Q179-P185 HydrophobicContact CG-CG 4.02Å; L183-P185 VanDerWaalsContact O-CD 3.26Å; L183-P185 WeakPolarHBondContact O-CD 3.05Å; P185-G226 WeakPolarHBondContact CD-O 3.47Å; P185-T227 HydrophobicContact CG-CG2 3.96Å; P185-L228 PolarHBondContact O-N 2.83Å
186I99Very high98.2Very high0 Ų019.3 Ų19.30%011%0.114CC..EExtended strand (participates in β ladder)trans-89.7106.6162.2-58.1-179.3000107.7I30 I78 F145 A146 K147 W148 Y174 L228 K230I30-I186 HydrophobicContact CD1-CD1 3.61Å; I78-I186 HydrophobicContact CD1-CD1 4.17Å; F145-I186 HydrophobicContact CD2-CD1 3.43Å; F145-I186 VanDerWaalsContact CD2-CD1 3.43Å; F145-I186 HydrophobicContact CD2-CG1 4Å; F145-I186 HydrophobicContact CE2-CD1 3.55Å; A146-I186 WeakPolarHBondContact O-CB 3.33Å; A146-I186 WeakPolarHBondContact O-CG1 3.29Å; A146-I186 PolarHBondContact O-N 3.4Å; K147-I186 HydrophobicContact CB-CB 4.43Å; K147-I186 HydrophobicContact CG-CB 4.22Å; K147-I186 HydrophobicContact CG-CG2 4.21Å; W148-I186 PolarHBondContact N-O 3.41Å; Y174-I186 PolarHBondContact OH-N 3.36Å; Y174-I186 VanDerWaalsContact OH-N 3.11Å; Y174-I186 PolarHBondContact OH-O 2.96Å; I186-L228 WeakPolarHBondContact CA-O 3.44Å; I186-L228 HydrophobicContact CG1-CB 4.12Å; I186-L228 HydrophobicContact CG1-CD1 4.23Å; I186-K230 HydrophobicContact CG2-CB 3.39Å; I186-K230 HydrophobicContact CG2-CD 4.04Å; I186-K230 HydrophobicContact CG2-CG 4.36Å
187V98.9Very high98.2Very high2 Ų219.4 Ų19.41%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-84.5111.8178.6175.50000108.5L171 Y174 A175 P189 V213 L217 L228 L229 K230L171-V187 HydrophobicContact CB-CG1 4.03Å; L171-V187 HydrophobicContact CD1-CG1 3.94Å; L171-V187 HydrophobicContact CD2-CG1 4.11Å; L171-V187 HydrophobicContact CG-CG1 4.24Å; Y174-V187 HydrophobicContact CE1-CG2 4.38Å; A175-V187 HydrophobicContact CB-CG2 4.24Å; V187-P189 VanDerWaalsContact O-CD 3.22Å; V187-P189 WeakPolarHBondContact O-CD 3.41Å; V187-V213 HydrophobicContact CG1-CG1 3.73Å; V187-L217 HydrophobicContact CG2-CD2 4.22Å; V187-L228 PolarHBondContact N-O 3.31Å; V187-L229 HydrophobicContact CG1-CD1 4.42Å; V187-K230 PolarHBondContact O-N 3.39Å
188E98.8Very high98.1Very high1 Ų120.8 Ų20.81%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-115.786.5-174.9178.6172.4-17200111.9K147 W148 R149 C150 E190 K230 L271K147-E188 WeakPolarHBondContact CD-OE2 3.23Å; K147-E188 WeakPolarHBondContact CE-OE2 3.43Å; K147-E188 WeakPolarHBondContact CG-OE2 3.43Å; K147-E188 IonicContact NZ-OE2 2.87Å; K147-E188 PolarHBondContact NZ-OE2 3.03Å; W148-E188 WeakPolarHBondContact O-CB 3.11Å; W148-E188 PolarHBondContact O-N 2.95Å; W148-E188 VanDerWaalsContact O-N 3.11Å; R149-E188 WeakPolarHBondContact CA-O 3.35Å; R149-E188 HydrophobicContact CB-CB 4.25Å; R149-E188 HydrophobicContact CB-CG 3.98Å; R149-E188 HydrophobicContact CG-CG 3.89Å; C150-E188 PolarHBondContact N-O 2.84Å; E188-E190 PolarHBondContact O-N 3.14Å; E188-K230 VanDerWaalsContact CA-O 3.28Å; E188-K230 WeakPolarHBondContact CA-O 3.36Å; E188-K230 HydrophobicContact CB-CB 3.95Å; E188-K230 HydrophobicContact CB-CD 4.42Å; E188-K230 HydrophobicContact CB-CG 4.1Å; E188-K230 HydrophobicContact CG-CB 4.2Å; E188-K230 HydrophobicContact CG-CD 4.17Å; E188-K230 HydrophobicContact CG-CG 3.8Å; E188-K230 WeakPolarHBondContact CG-O 3.48Å; E188-K230 VanDerWaalsContact OE1-CE 3.31Å; E188-K230 WeakPolarHBondContact OE1-CE 3.35Å; E188-K230 IonicContact OE1-NZ 3.6Å; E188-K230 WeakPolarHBondContact OE2-CD 3.42Å; E188-K230 IonicContact OE2-NZ 2.71Å; E188-L271 HydrophobicContact CG-CD2 4Å; E188-L271 WeakPolarHBondContact OE1-CD2 3.19Å
189P98.6Very high98.1Very high2 Ų221.4 Ų21.41%0.01312%0.123CC..EExtended strand (participates in β ladder)trans-90.282.2171.335.7-32000110L171 V187 V191 V209 L210 V213 L229L171-P189 HydrophobicContact CD1-CB 3.87Å; V187-P189 VanDerWaalsContact O-CD 3.22Å; V187-P189 WeakPolarHBondContact O-CD 3.41Å; P189-V191 PolarHBondContact O-N 2.99Å; P189-V209 HydrophobicContact CB-CG1 3.83Å; P189-L210 HydrophobicContact CG-CD2 4.02Å; P189-V213 HydrophobicContact CB-CG2 3.77Å; P189-V213 HydrophobicContact CG-CG2 4Å; P189-L229 HydrophobicContact CG-CD1 4.05Å
190E98.4Very high98.1Very high6 Ų626.1 Ų26.13%0.02815%0.148CC..EExtended strand (participates in β ladder)trans-75.7115.8-177.4-177172.3171.300111.4R149 C150 V151 L152 E188 L192 L271R149-E190 IonicContact CZ-OE2 3.13Å; R149-E190 IonicContact NE-OE2 3.06Å; R149-E190 PolarHBondContact NE-OE2 3.18Å; R149-E190 VanDerWaalsContact NH2-CD 3.27Å; R149-E190 IonicContact NH2-OE1 2.75Å; R149-E190 PolarHBondContact NH2-OE1 2.96Å; R149-E190 IonicContact NH2-OE2 2.67Å; R149-E190 PolarHBondContact NH2-OE2 3.22Å; C150-E190 PolarHBondContact O-N 3.38Å; V151-E190 CarbonylContact C-O 3.57Å; V151-E190 WeakPolarHBondContact CA-O 3.47Å; L152-E190 PolarHBondContact N-O 3.45Å; E188-E190 PolarHBondContact O-N 3.14Å; E190-L192 HydrophobicContact CG-CD2 4.21Å; E190-L192 PolarHBondContact O-N 2.84Å; E190-L271 HydrophobicContact CB-CD2 3.74Å; E190-L271 HydrophobicContact CG-CD1 4.01Å; E190-L271 HydrophobicContact CG-CD2 3.68Å
191V98.6Very high98.1Very high5 Ų524.4 Ų24.43%0.0314%0.144CC..EExtended strand (participates in β ladder)trans-81.4114.8161.7-175.80000107.8L152 I154 P189 V205 V209 N232L152-V191 WeakPolarHBondContact O-CA 3.06Å; I154-V191 HydrophobicContact CD1-CG1 3.65Å; I154-V191 HydrophobicContact CG1-CG1 3.72Å; P189-V191 PolarHBondContact O-N 2.99Å; V191-V205 HydrophobicContact CG1-CG1 4.01Å; V191-V205 HydrophobicContact CG2-CG1 4.38Å; V191-V209 HydrophobicContact CG2-CB 4.18Å; V191-V209 HydrophobicContact CG2-CG1 4.29Å; V191-V209 HydrophobicContact CG2-CG2 3.91Å; V191-N232 WeakPolarHBondContact CB-OD1 3.33Å; V191-N232 PolarHBondContact N-OD1 3.43Å
192L97.5Very high98.1Very high4 Ų422.8 Ų22.82%0.02114%0.136CC..  trans-70.4141.5-176.3-70.4173.2000110.8V151 L152 K153 E190 D194V151-L192 HydrophobicContact CB-CD1 4.01Å; V151-L192 HydrophobicContact CB-CG 4.19Å; V151-L192 HydrophobicContact CG1-CD2 4.46Å; V151-L192 HydrophobicContact CG2-CD1 4.35Å; L152-L192 PolarHBondContact O-N 2.9Å; K153-L192 HydrophobicContact CD-CD1 4.49Å; K153-L192 HydrophobicContact CG-CD1 3.7Å; E190-L192 HydrophobicContact CG-CD2 4.21Å; E190-L192 PolarHBondContact O-N 2.84Å; L192-D194 PolarHBondContact O-N 3.35Å
193P95.3Very high98.2Very high14 Ų1422.6 Ų22.69%0.09113%0.13CC..  trans-82.98.2179.338.1-38.5000112.5G195 G237 Q238 F357P193-G195 PolarHBondContact O-N 3.3Å; P193-G237 CarbonylContact O-C 3.22Å; P193-G237 VanDerWaalsContact O-CA 3.29Å; P193-G237 WeakPolarHBondContact O-CA 3.38Å; P193-Q238 HydrophobicContact CB-CG 4.14Å; P193-Q238 HydrophobicContact CG-CG 4.28Å; P193-Q238 PolarHBondContact O-N 3.42Å; P193-F357 HydrophobicContact CG-CD2 4.3Å; P193-F357 HydrophobicContact CG-CE2 4.11Å
194D95.8Very high98.1Very high21 Ų2128.7 Ų28.711%0.11215%0.153CC..  trans-64.3130.1175.4-64.3-105.8000110.6L192 H197 A359 N360L192-D194 PolarHBondContact O-N 3.35Å; D194-H197 PolarHBondContact O-CE1 3.12Å; D194-H197 VanDerWaalsContact O-CE1 3.27Å; D194-A359 WeakPolarHBondContact OD1-CA 3.4Å; D194-N360 PolarHBondContact OD1-N 2.85Å
195G96Very high98.1Very high31 Ų3129.3 Ų29.332%0.3216%0.157SC..SBendtrans121.5-178.8177.900000113.8P193 G237 Q238 A239P193-G195 PolarHBondContact O-N 3.3Å; G195-G237 CarbonylContact O-C 3.55Å; G195-G237 VanDerWaalsContact O-C 3.22Å; G195-G237 VanDerWaalsContact O-CA 3.29Å; G195-G237 WeakPolarHBondContact O-CA 3.33Å; G195-Q238 PolarHBondContact O-N 3.49Å; G195-A239 WeakPolarHBondContact O-CB 3.22Å; G195-A239 PolarHBondContact O-N 3.34Å
196D97.4Very high98.1Very high124 Ų12429.5 Ų29.566%0.66316%0.158SC*.SBendtrans-106.95.9-17864.9-15.2000113.6A239D196-A239 HydrophobicContact CB-CB 4.21Å
197H98.3Very high98.1Very high16 Ų1630.4 Ų30.47%0.07416%0.162CC..  trans-57143.9-17957.3-96.8000112.1I154 D194 T201 G237I154-H197 HydrophobicContact CG2-CB 3.83Å; D194-H197 PolarHBondContact O-CE1 3.12Å; D194-H197 VanDerWaalsContact O-CE1 3.27Å; H197-T201 HydrophobicContact CB-CG2 3.96Å; H197-G237 PolarHBondContact CD2-N 3.49Å; H197-G237 VanDerWaalsContact CD2-N 3.31Å; H197-G237 VanDerWaalsContact CE1-CA 3.48Å; H197-G237 WeakPolarHBondContact CE1-CA 3.19Å; H197-G237 VanDerWaalsContact NE2-CA 3.29Å; H197-G237 WeakPolarHBondContact NE2-CA 3.35Å; H197-G237 PolarHBondContact NE2-N 2.98Å; H197-G237 PolarHBondContact O-N 3.1Å
198D98.4Very high98.1Very high61 Ų6135.2 Ų35.233%0.32618%0.184SC..  trans-79.3170.5179.576.4-3.4000112.5L200 T201 A202D198-L200 PolarHBondContact O-N 2.94Å; D198-L200 PolarHBondContact OD1-N 3.46Å; D198-T201 PolarHBondContact O-N 3.4Å; D198-T201 WeakPolarHBondContact OD1-CB 3.26Å; D198-T201 PolarHBondContact OD1-N 2.86Å; D198-T201 PolarHBondContact OD1-OG1 3.34Å; D198-A202 PolarHBondContact O-N 2.9Å
199L98.8Very high98.1Very high13 Ų1335.3 Ų35.37%0.06819%0.185CC..Hα-helixtrans-61.6-34.3-177.7-176.465.8000112.6A202 Q203 V234 A236 Y244 E248 A252L199-A202 PolarHBondContact O-N 3.16Å; L199-Q203 WeakPolarHBondContact O-CB 3.2Å; L199-Q203 PolarHBondContact O-N 3.33Å; L199-V234 HydrophobicContact CD1-CG1 3.89Å; L199-V234 WeakPolarHBondContact CD1-O 3.49Å; L199-A236 HydrophobicContact CB-CB 4.42Å; L199-Y244 HydrophobicContact CB-CD1 3.75Å; L199-Y244 HydrophobicContact CB-CD2 3.97Å; L199-Y244 HydrophobicContact CB-CE1 3.44Å; L199-Y244 VanDerWaalsContact CB-CE1 3.44Å; L199-Y244 HydrophobicContact CB-CE2 3.72Å; L199-Y244 HydrophobicContact CB-CG 3.97Å; L199-Y244 VanDerWaalsContact CB-CZ 3.41Å; L199-Y244 HydrophobicContact CD2-CD1 3.45Å; L199-Y244 VanDerWaalsContact CD2-CD1 3.45Å; L199-Y244 HydrophobicContact CD2-CE1 3.84Å; L199-Y244 HydrophobicContact CD2-CG 3.91Å; L199-Y244 HydrophobicContact CG-CD1 4.22Å; L199-Y244 HydrophobicContact CG-CE1 4.28Å; L199-Y244 HydrophobicContact CG-CG 4.47Å; L199-Y244 PolarHBondContact N-OH 2.9Å; L199-E248 HydrophobicContact CD2-CB 3.95Å; L199-A252 HydrophobicContact CD1-CB 4.03Å; L199-A252 HydrophobicContact CD2-CB 4.07Å; L199-A252 HydrophobicContact CG-CB 3.99Å
200L98.5Very high98.2Very high99 Ų9935.3 Ų35.352%0.51819%0.185SC..Hα-helixtrans-68.1-42.6-179.4177.960.5000110.2D198 Q203 R204D198-L200 PolarHBondContact O-N 2.94Å; D198-L200 PolarHBondContact OD1-N 3.46Å; L200-Q203 WeakPolarHBondContact O-CB 3.14Å; L200-Q203 PolarHBondContact O-N 2.6Å; L200-R204 HydrophobicContact CD1-CG 4.43Å; L200-R204 WeakPolarHBondContact O-CG 3.41Å; L200-R204 PolarHBondContact O-N 3.04Å
201T98.7Very high98.2Very high58 Ų5837.4 Ų37.436%0.35620%0.203SC..Hα-helixtrans-62.4-47.3175.5-58.60000110.7I154 H197 D198 Q203 R204 V205I154-T201 HydrophobicContact CG2-CG2 4.07Å; H197-T201 HydrophobicContact CB-CG2 3.96Å; D198-T201 PolarHBondContact O-N 3.4Å; D198-T201 WeakPolarHBondContact OD1-CB 3.26Å; D198-T201 PolarHBondContact OD1-N 2.86Å; D198-T201 PolarHBondContact OD1-OG1 3.34Å; T201-Q203 VanDerWaalsContact C-N 3.29Å; T201-Q203 PolarHBondContact O-N 3.4Å; T201-R204 PolarHBondContact O-N 3.3Å; T201-R204 VanDerWaalsContact O-N 3.16Å; T201-V205 WeakPolarHBondContact O-CG2 3.23Å; T201-V205 PolarHBondContact O-N 2.96Å
202A98.8Very high98.2Very high3 Ų339.4 Ų39.43%0.02521%0.212CC..Hα-helixtrans-56.6-43.2174.400000112.2I154 D198 L199 T206 V234 T235I154-A202 HydrophobicContact CD1-CB 4.38Å; D198-A202 PolarHBondContact O-N 2.9Å; L199-A202 PolarHBondContact O-N 3.16Å; A202-T206 WeakPolarHBondContact O-CB 3.18Å; A202-T206 PolarHBondContact O-N 2.82Å; A202-T206 PolarHBondContact O-OG1 3.28Å; A202-V234 HydrophobicContact CB-CG1 4.06Å; A202-T235 WeakPolarHBondContact CB-O 3.28Å
203Q98.8Very high98.3Very high14 Ų1439.4 Ų39.47%0.06521%0.212CC..Hα-helixtrans-61.1-47.7176.2-171.4-172.5-34.700111.3L199 L200 T201 T206 E207 V234 A252 A256 R259L199-Q203 WeakPolarHBondContact O-CB 3.2Å; L199-Q203 PolarHBondContact O-N 3.33Å; L200-Q203 WeakPolarHBondContact O-CB 3.14Å; L200-Q203 PolarHBondContact O-N 2.6Å; T201-Q203 VanDerWaalsContact C-N 3.29Å; T201-Q203 PolarHBondContact O-N 3.4Å; Q203-T206 PolarHBondContact O-N 3.27Å; Q203-E207 PolarHBondContact NE2-OE1 2.99Å; Q203-E207 WeakPolarHBondContact O-CG 3.46Å; Q203-E207 PolarHBondContact O-N 3.5Å; Q203-V234 HydrophobicContact CB-CG1 3.88Å; Q203-A252 HydrophobicContact CB-CB 4.34Å; Q203-A252 HydrophobicContact CG-CB 4.29Å; Q203-A256 HydrophobicContact CG-CB 4.29Å; Q203-R259 VanDerWaalsContact NE2-NH1 3.17Å
204R98.7Very high98.4Very high128 Ų12839.6 Ų39.648%0.48321%0.211SC..Hα-helixtrans-65-41.3-178.8-69.4-51.7-169.2168.29.4112.7L200 T201 E207 Q208L200-R204 HydrophobicContact CD1-CG 4.43Å; L200-R204 WeakPolarHBondContact O-CG 3.41Å; L200-R204 PolarHBondContact O-N 3.04Å; T201-R204 PolarHBondContact O-N 3.3Å; T201-R204 VanDerWaalsContact O-N 3.16Å; R204-E207 WeakPolarHBondContact CD-OE2 3.47Å; R204-E207 IonicContact CZ-OE2 2.94Å; R204-E207 IonicContact NH1-OE2 2.63Å; R204-E207 PolarHBondContact NH1-OE2 3.18Å; R204-E207 WeakPolarHBondContact O-CB 3.27Å; R204-E207 PolarHBondContact O-N 2.81Å; R204-Q208 WeakPolarHBondContact O-CG 3.32Å; R204-Q208 PolarHBondContact O-N 3.39Å
205V98.9Very high98.6Very high13 Ų1344.3 Ų44.38%0.07923%0.23CC..Hα-helixtrans-65.8-43.7175.6174.50000110.6I154 P159 V191 T201 E207 Q208 V209I154-V205 HydrophobicContact CD1-CB 3.79Å; I154-V205 HydrophobicContact CD1-CG1 4.04Å; I154-V205 HydrophobicContact CD1-CG2 3.92Å; I154-V205 HydrophobicContact CG1-CB 4.14Å; I154-V205 HydrophobicContact CG1-CG1 3.93Å; I154-V205 HydrophobicContact CG1-CG2 4.08Å; I154-V205 HydrophobicContact CG2-CG2 4.38Å; P159-V205 HydrophobicContact CG-CG1 3.57Å; V191-V205 HydrophobicContact CG1-CG1 4.01Å; V191-V205 HydrophobicContact CG2-CG1 4.38Å; T201-V205 WeakPolarHBondContact O-CG2 3.23Å; T201-V205 PolarHBondContact O-N 2.96Å; V205-E207 VanDerWaalsContact C-N 3.3Å; V205-E207 PolarHBondContact O-N 3.1Å; V205-Q208 PolarHBondContact O-N 3.32Å; V205-Q208 VanDerWaalsContact O-N 3.13Å; V205-V209 HydrophobicContact CG1-CG2 4.14Å; V205-V209 WeakPolarHBondContact O-CG2 3.17Å; V205-V209 PolarHBondContact O-N 3.49Å
206T98.9Very high98.7Very high4 Ų443 Ų433%0.02522%0.217CC..Hα-helixtrans-59.5-42.6176.3-55.40000111.1A202 Q203 Q208 V209 L210 V234 A256A202-T206 WeakPolarHBondContact O-CB 3.18Å; A202-T206 PolarHBondContact O-N 2.82Å; A202-T206 PolarHBondContact O-OG1 3.28Å; Q203-T206 PolarHBondContact O-N 3.27Å; T206-Q208 PolarHBondContact O-N 3.29Å; T206-V209 PolarHBondContact O-N 3.1Å; T206-L210 HydrophobicContact CG2-CD1 3.99Å; T206-L210 HydrophobicContact CG2-CG 4.31Å; T206-L210 WeakPolarHBondContact O-CB 3.49Å; T206-L210 VanDerWaalsContact O-CG 3.29Å; T206-L210 WeakPolarHBondContact O-CG 3.37Å; T206-L210 PolarHBondContact O-N 2.76Å; T206-V234 HydrophobicContact CG2-CG2 3.94Å; T206-A256 HydrophobicContact CG2-CB 4.29Å
207E98.9Very high98.8Very high20 Ų2037.1 Ų37.19%0.09319%0.185CC..Hα-helixtrans-58.5-45.5173.9-76.3170.7-170.200111.9Q203 R204 V205 A211 A256 R259 T260Q203-E207 PolarHBondContact NE2-OE1 2.99Å; Q203-E207 WeakPolarHBondContact O-CG 3.46Å; Q203-E207 PolarHBondContact O-N 3.5Å; R204-E207 WeakPolarHBondContact CD-OE2 3.47Å; R204-E207 IonicContact CZ-OE2 2.94Å; R204-E207 IonicContact NH1-OE2 2.63Å; R204-E207 PolarHBondContact NH1-OE2 3.18Å; R204-E207 WeakPolarHBondContact O-CB 3.27Å; R204-E207 PolarHBondContact O-N 2.81Å; V205-E207 VanDerWaalsContact C-N 3.3Å; V205-E207 PolarHBondContact O-N 3.1Å; E207-A211 WeakPolarHBondContact O-CB 3.39Å; E207-A211 PolarHBondContact O-N 2.88Å; E207-A256 HydrophobicContact CG-CB 3.87Å; E207-R259 WeakPolarHBondContact OE1-CD 3.24Å; E207-R259 IonicContact OE1-CZ 2.7Å; E207-R259 IonicContact OE1-NE 3.89Å; E207-R259 IonicContact OE1-NH1 3.81Å; E207-R259 PolarHBondContact OE1-NH1 3.48Å; E207-R259 IonicContact OE2-NH1 2.6Å; E207-R259 PolarHBondContact OE2-NH1 3.24Å; E207-T260 HydrophobicContact CB-CG2 4.19Å; E207-T260 HydrophobicContact CG-CG2 4.38Å; E207-T260 VanDerWaalsContact O-CG2 3.3Å; E207-T260 WeakPolarHBondContact O-CG2 3.33Å
208Q98.8Very high98.8Very high102 Ų10239.2 Ų39.248%0.47721%0.205SC..Hα-helixtrans-63.5-51.9178.1-72.6176.9-16.300111.4M164 R204 V205 T206 L210 A211 F212M164-Q208 HydrophobicContact SD-CB 3.86Å; R204-Q208 WeakPolarHBondContact O-CG 3.32Å; R204-Q208 PolarHBondContact O-N 3.39Å; V205-Q208 PolarHBondContact O-N 3.32Å; V205-Q208 VanDerWaalsContact O-N 3.13Å; T206-Q208 PolarHBondContact O-N 3.29Å; Q208-L210 VanDerWaalsContact C-N 3.32Å; Q208-L210 PolarHBondContact O-N 3.42Å; Q208-A211 WeakPolarHBondContact O-CB 3.36Å; Q208-A211 PolarHBondContact O-N 3.48Å; Q208-A211 VanDerWaalsContact O-N 3.09Å; Q208-F212 WeakPolarHBondContact O-CD2 3.41Å; Q208-F212 PolarHBondContact O-N 3.19Å
209V98.9Very high98.7Very high3 Ų340.4 Ų40.42%0.01821%0.212CC..Hα-helixtrans-56-47.3-179.9170.50000111.3L152 P159 M164 P189 V191 V205 T206 A211 F212 V213L152-V209 HydrophobicContact CD1-CG1 3.87Å; L152-V209 HydrophobicContact CD1-CG2 4.39Å; L152-V209 HydrophobicContact CD2-CG2 3.97Å; P159-V209 HydrophobicContact CG-CG2 4.27Å; M164-V209 HydrophobicContact CG-CG2 4.09Å; M164-V209 HydrophobicContact SD-CG2 3.97Å; P189-V209 HydrophobicContact CB-CG1 3.83Å; V191-V209 HydrophobicContact CG2-CB 4.18Å; V191-V209 HydrophobicContact CG2-CG1 4.29Å; V191-V209 HydrophobicContact CG2-CG2 3.91Å; V205-V209 HydrophobicContact CG1-CG2 4.14Å; V205-V209 WeakPolarHBondContact O-CG2 3.17Å; V205-V209 PolarHBondContact O-N 3.49Å; T206-V209 PolarHBondContact O-N 3.1Å; V209-A211 VanDerWaalsContact C-N 3.33Å; V209-A211 PolarHBondContact O-N 2.84Å; V209-F212 PolarHBondContact O-N 2.82Å; V209-V213 HydrophobicContact CG1-CG2 4.47Å; V209-V213 WeakPolarHBondContact O-CG2 3.37Å; V209-V213 PolarHBondContact O-N 3.5Å
210L98.9Very high98.6Very high3 Ų342.5 Ų42.52%0.01622%0.221CC..Hα-helixtrans-65.2-35.6179-68.3179.7000112.5P189 T206 Q208 V213 Y214 L229 L257 T260 V261P189-L210 HydrophobicContact CG-CD2 4.02Å; T206-L210 HydrophobicContact CG2-CD1 3.99Å; T206-L210 HydrophobicContact CG2-CG 4.31Å; T206-L210 WeakPolarHBondContact O-CB 3.49Å; T206-L210 VanDerWaalsContact O-CG 3.29Å; T206-L210 WeakPolarHBondContact O-CG 3.37Å; T206-L210 PolarHBondContact O-N 2.76Å; Q208-L210 VanDerWaalsContact C-N 3.32Å; Q208-L210 PolarHBondContact O-N 3.42Å; L210-V213 PolarHBondContact O-N 2.86Å; L210-Y214 WeakPolarHBondContact O-CD2 3.39Å; L210-Y214 PolarHBondContact O-N 3.39Å; L210-L229 HydrophobicContact CD2-CD1 3.99Å; L210-L229 HydrophobicContact CD2-CD2 3.81Å; L210-L229 HydrophobicContact CD2-CG 4.48Å; L210-L257 HydrophobicContact CD1-CD2 4.13Å; L210-T260 HydrophobicContact CB-CG2 4.19Å; L210-T260 VanDerWaalsContact CB-OG1 3.26Å; L210-T260 WeakPolarHBondContact CB-OG1 3.47Å; L210-T260 WeakPolarHBondContact CD1-OG1 3.3Å; L210-V261 HydrophobicContact CD1-CG2 4.3Å
211A98.9Very high98.5Very high50 Ų5042.3 Ų42.341%0.41322%0.217SC..Hα-helixtrans-62.9-42.8174.800000112.1E207 Q208 V209 K215E207-A211 WeakPolarHBondContact O-CB 3.39Å; E207-A211 PolarHBondContact O-N 2.88Å; Q208-A211 WeakPolarHBondContact O-CB 3.36Å; Q208-A211 PolarHBondContact O-N 3.48Å; Q208-A211 VanDerWaalsContact O-N 3.09Å; V209-A211 VanDerWaalsContact C-N 3.33Å; V209-A211 PolarHBondContact O-N 2.84Å; A211-K215 VanDerWaalsContact O-CB 3.31Å; A211-K215 WeakPolarHBondContact O-CB 3.43Å; A211-K215 PolarHBondContact O-N 2.96Å
212F98.9Very high98.5Very high47 Ų4740 Ų4021%0.20620%0.203CC..Hα-helixtrans-62.4-45.7173.5-85.2-97.2000111.7Y161 M164 L165 A168 Q208 V209 K215 A216Y161-F212 AromaticContact CD2-CE1 3.97Å; Y161-F212 HydrophobicContact CD2-CE1 3.97Å; Y161-F212 AromaticContact CD2-CZ 3.5Å; Y161-F212 HydrophobicContact CD2-CZ 3.5Å; Y161-F212 VanDerWaalsContact CD2-CZ 3.5Å; Y161-F212 AromaticContact CE2-CE1 3.65Å; Y161-F212 HydrophobicContact CE2-CE1 3.65Å; Y161-F212 AromaticContact CE2-CZ 3.44Å; Y161-F212 HydrophobicContact CE2-CZ 3.44Å; Y161-F212 VanDerWaalsContact CE2-CZ 3.44Å; Y161-F212 HydrophobicContact CG-CZ 4.36Å; M164-F212 HydrophobicContact CB-CB 4.25Å; M164-F212 HydrophobicContact CB-CD1 4Å; M164-F212 HydrophobicContact CB-CD2 3.87Å; M164-F212 HydrophobicContact CB-CE1 4.3Å; M164-F212 HydrophobicContact CB-CE2 4.19Å; M164-F212 HydrophobicContact CB-CG 3.78Å; M164-F212 HydrophobicContact CB-CZ 4.39Å; M164-F212 HydrophobicContact CE-CD2 4.39Å; M164-F212 HydrophobicContact CE-CE2 3.87Å; M164-F212 HydrophobicContact CE-CZ 4.36Å; M164-F212 HydrophobicContact SD-CD2 3.98Å; M164-F212 HydrophobicContact SD-CE2 4.06Å; L165-F212 HydrophobicContact CB-CD1 4.25Å; L165-F212 HydrophobicContact CB-CE1 4.17Å; L165-F212 HydrophobicContact CD1-CD1 4.4Å; L165-F212 HydrophobicContact CD1-CE1 4.48Å; A168-F212 HydrophobicContact CB-CB 4.01Å; A168-F212 WeakPolarHBondContact CB-O 3.34Å; Q208-F212 WeakPolarHBondContact O-CD2 3.41Å; Q208-F212 PolarHBondContact O-N 3.19Å; V209-F212 PolarHBondContact O-N 2.82Å; F212-K215 PolarHBondContact O-N 3.24Å; F212-A216 PolarHBondContact O-N 3.4Å
213V99Very high98.5Very high4 Ų441.3 Ų41.32%0.02421%0.207CC..Hα-helixtrans-58.5-53.2179.4169.40000111A168 L171 V187 P189 V209 L210 K215 A216 L217A168-V213 HydrophobicContact CB-CG2 4.2Å; L171-V213 HydrophobicContact CD1-CG2 4.13Å; V187-V213 HydrophobicContact CG1-CG1 3.73Å; P189-V213 HydrophobicContact CB-CG2 3.77Å; P189-V213 HydrophobicContact CG-CG2 4Å; V209-V213 HydrophobicContact CG1-CG2 4.47Å; V209-V213 WeakPolarHBondContact O-CG2 3.37Å; V209-V213 PolarHBondContact O-N 3.5Å; L210-V213 PolarHBondContact O-N 2.86Å; V213-K215 VanDerWaalsContact C-N 3.32Å; V213-K215 PolarHBondContact O-N 3.41Å; V213-A216 PolarHBondContact O-N 2.98Å; V213-L217 HydrophobicContact CG1-CD1 3.92Å; V213-L217 HydrophobicContact CG1-CG 4.28Å; V213-L217 VanDerWaalsContact O-CG 3.3Å; V213-L217 WeakPolarHBondContact O-CG 3.11Å; V213-L217 PolarHBondContact O-N 2.94Å
214Y98.9Very high98.5Very high18 Ų1842.2 Ų42.27%0.07121%0.213CC..Hα-helixtrans-70.6-27.6-178.1-80.1-72.9000113.5L210 L217 A218 L224 L229 T260 V261 P262 V265L210-Y214 WeakPolarHBondContact O-CD2 3.39Å; L210-Y214 PolarHBondContact O-N 3.39Å; Y214-L217 HydrophobicContact CD1-CD1 3.78Å; Y214-L217 HydrophobicContact CE1-CD1 3.79Å; Y214-L217 HydrophobicContact CG-CD1 4.46Å; Y214-A218 WeakPolarHBondContact O-CB 3.41Å; Y214-A218 PolarHBondContact O-N 3.18Å; Y214-L224 HydrophobicContact CD1-CD2 4.38Å; Y214-L224 HydrophobicContact CE1-CD2 4.33Å; Y214-L229 HydrophobicContact CE2-CD1 4.4Å; Y214-L229 HydrophobicContact CE2-CD2 4.31Å; Y214-T260 WeakPolarHBondContact CD2-O 3.35Å; Y214-V261 HydrophobicContact CE2-CB 4.16Å; Y214-V261 HydrophobicContact CE2-CG1 4.03Å; Y214-V261 HydrophobicContact CE2-CG2 3.79Å; Y214-P262 HydrophobicContact CD1-CG 3.73Å; Y214-P262 VanDerWaalsContact CE1-CD 3.46Å; Y214-P262 HydrophobicContact CE1-CG 4.19Å; Y214-P262 HydrophobicContact CG-CG 4.16Å; Y214-V265 HydrophobicContact CE1-CG2 3.63Å; Y214-V265 WeakPolarHBondContact OH-CG2 3.19Å
215K98.8Very high98.5Very high119 Ų11939.4 Ų39.452%0.51721%0.205SC..Hα-helixtrans-62.7-48.2168.7-18057.7169.6750111.2A211 F212 V213 A218 D219A211-K215 VanDerWaalsContact O-CB 3.31Å; A211-K215 WeakPolarHBondContact O-CB 3.43Å; A211-K215 PolarHBondContact O-N 2.96Å; F212-K215 PolarHBondContact O-N 3.24Å; V213-K215 VanDerWaalsContact C-N 3.32Å; V213-K215 PolarHBondContact O-N 3.41Å; K215-A218 PolarHBondContact O-N 3.3Å; K215-D219 IonicContact NZ-OD1 3.44Å; K215-D219 PolarHBondContact NZ-OD1 3.11Å; K215-D219 IonicContact NZ-OD2 3.62Å; K215-D219 PolarHBondContact NZ-OD2 2.96Å; K215-D219 VanDerWaalsContact O-CG 3.25Å; K215-D219 PolarHBondContact O-N 2.88Å
216A98.9Very high98.5Very high4 Ų438.8 Ų38.83%0.03320%0.201CC..Hα-helixtrans-64.6-42.417800000112A168 A172 F212 V213 A218 D219 H220A168-A216 HydrophobicContact CB-CB 3.8Å; A168-A216 WeakPolarHBondContact O-CB 3.17Å; A172-A216 HydrophobicContact CB-CB 3.83Å; A172-A216 WeakPolarHBondContact CB-O 3.19Å; F212-A216 PolarHBondContact O-N 3.4Å; V213-A216 PolarHBondContact O-N 2.98Å; A216-A218 VanDerWaalsContact C-N 3.29Å; A216-A218 PolarHBondContact O-N 2.82Å; A216-D219 PolarHBondContact O-N 3.23Å; A216-H220 PolarHBondContact O-CD2 3.46Å; A216-H220 VanDerWaalsContact O-CD2 3.27Å; A216-H220 PolarHBondContact O-N 2.92Å
217L98.8Very high98.5Very high1 Ų138.6 Ų38.61%0.00520%0.2CC..Hα-helixtrans-58.3-41.4174.9-67.7175.9000111.7A172 A175 V187 V213 Y214 H220 H221 V222 L224A172-L217 HydrophobicContact CB-CD2 4.08Å; A175-L217 HydrophobicContact CB-CD2 3.94Å; V187-L217 HydrophobicContact CG2-CD2 4.22Å; V213-L217 HydrophobicContact CG1-CD1 3.92Å; V213-L217 HydrophobicContact CG1-CG 4.28Å; V213-L217 VanDerWaalsContact O-CG 3.3Å; V213-L217 WeakPolarHBondContact O-CG 3.11Å; V213-L217 PolarHBondContact O-N 2.94Å; Y214-L217 HydrophobicContact CD1-CD1 3.78Å; Y214-L217 HydrophobicContact CE1-CD1 3.79Å; Y214-L217 HydrophobicContact CG-CD1 4.46Å; L217-H220 PolarHBondContact O-N 3.36Å; L217-H221 PolarHBondContact O-N 3.5Å; L217-V222 HydrophobicContact CB-CB 4.17Å; L217-V222 HydrophobicContact CB-CG2 4.36Å; L217-V222 HydrophobicContact CD2-CB 4.1Å; L217-V222 HydrophobicContact CD2-CG1 4.13Å; L217-V222 HydrophobicContact CD2-CG2 3.8Å; L217-V222 WeakPolarHBondContact O-CB 3.5Å; L217-V222 PolarHBondContact O-N 2.97Å; L217-L224 HydrophobicContact CB-CD2 4.31Å; L217-L224 HydrophobicContact CD1-CD2 4.45Å
218A97.7Very high98.5Very high60 Ų6037.7 Ų37.750%0.49620%0.196SC..Hα-helixtrans-66.5-42175.400000112.6Y214 K215 A216 H220 H221Y214-A218 WeakPolarHBondContact O-CB 3.41Å; Y214-A218 PolarHBondContact O-N 3.18Å; K215-A218 PolarHBondContact O-N 3.3Å; A216-A218 VanDerWaalsContact C-N 3.29Å; A216-A218 PolarHBondContact O-N 2.82Å; A218-H220 VanDerWaalsContact C-N 3.27Å; A218-H220 PolarHBondContact O-N 3.34Å; A218-H221 PolarHBondContact O-N 3.31Å; A218-H221 PolarHBondContact O-ND1 3.11Å
219D97.2Very high98.5Very high85 Ų8532.8 Ų32.846%0.45517%0.173SC..Hα-helixtrans-63.9-32.5177.9-70.9-21000112.7K215 A216 H221K215-D219 IonicContact NZ-OD1 3.44Å; K215-D219 PolarHBondContact NZ-OD1 3.11Å; K215-D219 IonicContact NZ-OD2 3.62Å; K215-D219 PolarHBondContact NZ-OD2 2.96Å; K215-D219 VanDerWaalsContact O-CG 3.25Å; K215-D219 PolarHBondContact O-N 2.88Å; A216-D219 PolarHBondContact O-N 3.23Å; D219-H221 VanDerWaalsContact C-N 3.29Å
220H96.7Very high98.5Very high58 Ų5832.8 Ų32.827%0.26917%0.173SC..THydrogen-bonded Turntrans-88.16.8174.3-77.4-88.7000113.6A172 R173 A216 L217 A218 V222A172-H220 HydrophobicContact CB-CB 3.95Å; A172-H220 WeakPolarHBondContact CB-CD2 3.41Å; R173-H220 WeakPolarHBondContact CG-CE1 3.43Å; A216-H220 PolarHBondContact O-CD2 3.46Å; A216-H220 VanDerWaalsContact O-CD2 3.27Å; A216-H220 PolarHBondContact O-N 2.92Å; L217-H220 PolarHBondContact O-N 3.36Å; A218-H220 VanDerWaalsContact C-N 3.27Å; A218-H220 PolarHBondContact O-N 3.34Å; H220-V222 HydrophobicContact CB-CG2 4.08Å; H220-V222 PolarHBondContact O-N 2.95Å
221H96.2Very high98.5Very high95 Ų9532.7 Ų32.744%0.4417%0.172SC..THydrogen-bonded Turntrans56.133179-49.6-48.3000113.5F4 Y7 L217 A218 D219 Y223F4-H221 AromaticContact CD1-CE1 3.33Å; F4-H221 WeakPolarHBondContact CD1-CE1 3.22Å; F4-H221 AromaticContact CD1-NE2 3.58Å; F4-H221 AromaticContact CE1-CE1 3.47Å; F4-H221 VanDerWaalsContact CE1-CE1 3.47Å; F4-H221 WeakPolarHBondContact CE1-CE1 3.26Å; F4-H221 AromaticContact CE1-NE2 4Å; Y7-H221 HydrophobicContact CE1-CB 4.14Å; Y7-H221 WeakPolarHBondContact CE1-O 3.47Å; Y7-H221 PolarHBondContact OH-O 2.85Å; L217-H221 PolarHBondContact O-N 3.5Å; A218-H221 PolarHBondContact O-N 3.31Å; A218-H221 PolarHBondContact O-ND1 3.11Å; D219-H221 VanDerWaalsContact C-N 3.29Å; H221-Y223 PolarHBondContact O-N 3.02Å
222V98.6Very high98.4Very high9 Ų931.1 Ų31.16%0.05516%0.157CC..  trans-62.9129.7-179.8177.50000110Y7 A175 L217 H220 L224 T227Y7-V222 VanDerWaalsContact OH-CA 3.31Å; Y7-V222 WeakPolarHBondContact OH-CA 3.06Å; A175-V222 HydrophobicContact CB-CG1 4Å; A175-V222 HydrophobicContact CB-CG2 3.96Å; L217-V222 HydrophobicContact CB-CB 4.17Å; L217-V222 HydrophobicContact CB-CG2 4.36Å; L217-V222 HydrophobicContact CD2-CB 4.1Å; L217-V222 HydrophobicContact CD2-CG1 4.13Å; L217-V222 HydrophobicContact CD2-CG2 3.8Å; L217-V222 WeakPolarHBondContact O-CB 3.5Å; L217-V222 PolarHBondContact O-N 2.97Å; H220-V222 HydrophobicContact CB-CG2 4.08Å; H220-V222 PolarHBondContact O-N 2.95Å; V222-L224 PolarHBondContact O-N 2.64Å; V222-L224 VanDerWaalsContact O-N 3.1Å; V222-T227 HydrophobicContact CG1-CG2 3.46Å; V222-T227 VanDerWaalsContact CG1-CG2 3.46Å
223Y98.5Very high98.4Very high30 Ų3029 Ų2912%0.11815%0.148CC..  trans-73.599.4178.8179.6-114.4000110.6Y7 L8 E13 R17 Q179 H221 E225 G226 T227Y7-Y223 PolarHBondContact OH-N 3.44Å; L8-Y223 HydrophobicContact CD1-CD1 4.4Å; L8-Y223 HydrophobicContact CD1-CG 4.18Å; E13-Y223 HydrophobicContact CB-CD1 4.11Å; E13-Y223 HydrophobicContact CB-CE1 3.68Å; E13-Y223 HydrophobicContact CB-CE2 4.31Å; E13-Y223 HydrophobicContact CG-CD1 4.01Å; E13-Y223 HydrophobicContact CG-CD2 4.07Å; E13-Y223 HydrophobicContact CG-CE1 4.04Å; E13-Y223 HydrophobicContact CG-CE2 4.12Å; E13-Y223 HydrophobicContact CG-CG 4.05Å; R17-Y223 PolarHBondContact NE-OH 3.48Å; R17-Y223 PolarHBondContact NH2-OH 3.14Å; Q179-Y223 PolarHBondContact NE2-O 3.46Å; H221-Y223 PolarHBondContact O-N 3.02Å; Y223-E225 HydrophobicContact CE1-CB 3.81Å; Y223-E225 HydrophobicContact CE2-CB 4.32Å; Y223-E225 VanDerWaalsContact CE2-OE2 3.23Å; Y223-E225 WeakPolarHBondContact CE2-OE2 3.42Å; Y223-E225 PolarHBondContact O-N 2.87Å; Y223-E225 WeakPolarHBondContact OH-CB 3.42Å; Y223-G226 PolarHBondContact O-N 3.46Å; Y223-T227 WeakPolarHBondContact O-CG2 3.21Å
224L98.8Very high98.4Very high34 Ų3428.8 Ų28.818%0.17815%0.147CC..G310 helixtrans-66.1-37-164.1-63.9-175.5000114.1Y214 L217 V222 G226 T227 P262 A264 V265 P266Y214-L224 HydrophobicContact CD1-CD2 4.38Å; Y214-L224 HydrophobicContact CE1-CD2 4.33Å; L217-L224 HydrophobicContact CB-CD2 4.31Å; L217-L224 HydrophobicContact CD1-CD2 4.45Å; V222-L224 PolarHBondContact O-N 2.64Å; V222-L224 VanDerWaalsContact O-N 3.1Å; L224-G226 PolarHBondContact O-N 3.27Å; L224-G226 VanDerWaalsContact O-N 3.13Å; L224-T227 PolarHBondContact O-N 2.82Å; L224-T227 PolarHBondContact O-OG1 3.01Å; L224-P262 HydrophobicContact CD1-CB 3.89Å; L224-P262 HydrophobicContact CD1-CG 3.89Å; L224-A264 HydrophobicContact CB-CB 4.08Å; L224-V265 HydrophobicContact CB-CG2 4.47Å; L224-P266 WeakPolarHBondContact O-CD 3.29Å
225E98.7Very high98.4Very high68 Ų6829 Ų2932%0.31815%0.15SC..G310 helixtrans-65.1-13.5176.5-61.580.6165.800112.5R17 Y223 A264 P266R17-E225 WeakPolarHBondContact CA-O 3.43Å; R17-E225 HydrophobicContact CG-CB 4.14Å; Y223-E225 HydrophobicContact CE1-CB 3.81Å; Y223-E225 HydrophobicContact CE2-CB 4.32Å; Y223-E225 VanDerWaalsContact CE2-OE2 3.23Å; Y223-E225 WeakPolarHBondContact CE2-OE2 3.42Å; Y223-E225 PolarHBondContact O-N 2.87Å; Y223-E225 WeakPolarHBondContact OH-CB 3.42Å; E225-A264 VanDerWaalsContact CA-O 3.31Å; E225-A264 WeakPolarHBondContact CA-O 3.46Å; E225-A264 HydrophobicContact CG-CB 4.3Å; E225-A264 WeakPolarHBondContact CG-O 3.38Å; E225-P266 WeakPolarHBondContact O-CG 3.2Å
226G98.8Very high98.4Very high0 Ų024 Ų240%013%0.131CC..G310 helixtrans-106.725.3173.800000113.6Q179 P185 Y223 L224Q179-G226 PolarHBondContact NE2-O 2.81Å; Q179-G226 VanDerWaalsContact NE2-O 3.1Å; P185-G226 WeakPolarHBondContact CD-O 3.47Å; Y223-G226 PolarHBondContact O-N 3.46Å; L224-G226 PolarHBondContact O-N 3.27Å; L224-G226 VanDerWaalsContact O-N 3.13Å
227T98.9Very high98.3Very high1 Ų124.1 Ų24.11%0.00613%0.132CC..  trans-122.5169.1177.167.30000111.8P185 V222 Y223 L224 P266P185-T227 HydrophobicContact CG-CG2 3.96Å; V222-T227 HydrophobicContact CG1-CG2 3.46Å; V222-T227 VanDerWaalsContact CG1-CG2 3.46Å; Y223-T227 WeakPolarHBondContact O-CG2 3.21Å; L224-T227 PolarHBondContact O-N 2.82Å; L224-T227 PolarHBondContact O-OG1 3.01Å; T227-P266 VanDerWaalsContact O-CD 3.23Å; T227-P266 WeakPolarHBondContact O-CD 3.26Å
228L98.9Very high98.1Very high0 Ų028 Ų280%015%0.15CC..EExtended strand (participates in β ladder)trans-135145.1162.9-65.4174.5000109.3A20 I23 C24 V184 P185 I186 V187 P266 T269A20-L228 HydrophobicContact CB-CD2 4.23Å; A20-L228 HydrophobicContact CB-CG 4.39Å; I23-L228 HydrophobicContact CB-CD1 4.03Å; I23-L228 HydrophobicContact CD1-CD1 3.99Å; I23-L228 HydrophobicContact CG2-CD1 3.6Å; C24-L228 WeakPolarHBondContact SG-CD2 3.42Å; V184-L228 HydrophobicContact CG1-CD1 4.41Å; V184-L228 HydrophobicContact CG1-CG 4.15Å; P185-L228 PolarHBondContact O-N 2.83Å; I186-L228 WeakPolarHBondContact CA-O 3.44Å; I186-L228 HydrophobicContact CG1-CB 4.12Å; I186-L228 HydrophobicContact CG1-CD1 4.23Å; V187-L228 PolarHBondContact N-O 3.31Å; L228-P266 HydrophobicContact CD2-CB 4.45Å; L228-T269 HydrophobicContact CD1-CG2 4.32Å
229L99Very high98Very high0 Ų028.2 Ų28.20%015%0.152CC..EExtended strand (participates in β ladder)trans-95.3138.3171.1-173.670.6000109.4V187 P189 L210 Y214 P231 L257 V261 G267 I268 T269V187-L229 HydrophobicContact CG1-CD1 4.42Å; P189-L229 HydrophobicContact CG-CD1 4.05Å; L210-L229 HydrophobicContact CD2-CD1 3.99Å; L210-L229 HydrophobicContact CD2-CD2 3.81Å; L210-L229 HydrophobicContact CD2-CG 4.48Å; Y214-L229 HydrophobicContact CE2-CD1 4.4Å; Y214-L229 HydrophobicContact CE2-CD2 4.31Å; L229-P231 HydrophobicContact CD2-CB 4.19Å; L229-P231 HydrophobicContact CD2-CG 3.85Å; L229-P231 HydrophobicContact CG-CB 4.29Å; L229-P231 HydrophobicContact CG-CG 4.03Å; L229-L257 HydrophobicContact CD2-CD2 4.12Å; L229-V261 HydrophobicContact CD2-CG2 3.96Å; L229-G267 PolarHBondContact N-O 2.92Å; L229-I268 HydrophobicContact CB-CD1 3.74Å; L229-I268 HydrophobicContact CB-CG2 4.44Å; L229-I268 HydrophobicContact CD2-CD1 3.92Å; L229-I268 HydrophobicContact CD2-CG2 4.29Å; L229-I268 HydrophobicContact CG-CD1 4.46Å; L229-I268 CarbonylContact O-C 3.55Å; L229-I268 WeakPolarHBondContact O-CA 3.4Å; L229-T269 PolarHBondContact O-N 2.98Å; L229-T269 PolarHBondContact O-OG1 3.2Å
230K98.8Very high98.1Very high3 Ų325.5 Ų25.51%0.01314%0.139CC..  trans-123.584169173165.1-178.8177.20109.7K147 I186 V187 E188 T269 L271 S301K147-K230 HydrophobicContact CD-CD 4.49Å; I186-K230 HydrophobicContact CG2-CB 3.39Å; I186-K230 HydrophobicContact CG2-CD 4.04Å; I186-K230 HydrophobicContact CG2-CG 4.36Å; V187-K230 PolarHBondContact O-N 3.39Å; E188-K230 VanDerWaalsContact CA-O 3.28Å; E188-K230 WeakPolarHBondContact CA-O 3.36Å; E188-K230 HydrophobicContact CB-CB 3.95Å; E188-K230 HydrophobicContact CB-CD 4.42Å; E188-K230 HydrophobicContact CB-CG 4.1Å; E188-K230 HydrophobicContact CG-CB 4.2Å; E188-K230 HydrophobicContact CG-CD 4.17Å; E188-K230 HydrophobicContact CG-CG 3.8Å; E188-K230 WeakPolarHBondContact CG-O 3.48Å; E188-K230 VanDerWaalsContact OE1-CE 3.31Å; E188-K230 WeakPolarHBondContact OE1-CE 3.35Å; E188-K230 IonicContact OE1-NZ 3.6Å; E188-K230 WeakPolarHBondContact OE2-CD 3.42Å; E188-K230 IonicContact OE2-NZ 2.71Å; K230-T269 WeakPolarHBondContact CA-O 3.44Å; K230-T269 WeakPolarHBondContact CB-O 3.45Å; K230-T269 WeakPolarHBondContact CG-O 3.49Å; K230-L271 HydrophobicContact CG-CB 4.27Å; K230-L271 HydrophobicContact CG-CD2 4.35Å; K230-S301 VanDerWaalsContact CE-O 3.28Å; K230-S301 WeakPolarHBondContact CE-O 3.44Å; K230-S301 WeakPolarHBondContact CE-OG 3.43Å; K230-S301 PolarHBondContact NZ-O 3.03Å; K230-S301 VanDerWaalsContact NZ-O 3.16Å; K230-S301 PolarHBondContact NZ-OG 3.27Å
231P98.7Very high98Very high1 Ų132.9 Ų32.91%0.00617%0.17CC..PPolyproline II helixtrans-94.6168.8178.837.3-28.8000110.5L229 L257 I268 F270 L271L229-P231 HydrophobicContact CD2-CB 4.19Å; L229-P231 HydrophobicContact CD2-CG 3.85Å; L229-P231 HydrophobicContact CG-CB 4.29Å; L229-P231 HydrophobicContact CG-CG 4.03Å; P231-L257 HydrophobicContact CG-CD2 4.48Å; P231-I268 HydrophobicContact CG-CG2 3.47Å; P231-I268 VanDerWaalsContact CG-CG2 3.47Å; P231-F270 HydrophobicContact CG-CD1 3.82Å; P231-F270 HydrophobicContact CG-CE1 3.88Å; P231-F270 WeakPolarHBondContact O-CA 3.22Å; P231-L271 WeakPolarHBondContact O-CG 3.24Å; P231-L271 PolarHBondContact O-N 3.48Å; P231-L271 VanDerWaalsContact O-N 3.1Å
232N98.5Very high98.1Very high16 Ų1634.1 Ų34.19%0.08618%0.175CC..BIsolated β-bridgetrans-62.2152.6159.259.3-71.3000110.5V191 L271V191-N232 WeakPolarHBondContact CB-OD1 3.33Å; V191-N232 PolarHBondContact N-OD1 3.43Å; N232-L271 HydrophobicContact CB-CD1 4.1Å
233M98.8Very high97.9Very high2 Ų238.1 Ų38.11%0.0121%0.209CC..PPolyproline II helixtrans-71.4141.9154.7-65.9176.7-88.900107.7T235 F270 A280 N283 L284 I287 F302M233-T235 PolarHBondContact O-N 2.9Å; M233-F270 HydrophobicContact CG-CB 3.91Å; M233-F270 HydrophobicContact CG-CD1 3.68Å; M233-F270 HydrophobicContact CG-CE1 4.32Å; M233-F270 HydrophobicContact CG-CG 3.79Å; M233-A280 HydrophobicContact CE-CB 4.24Å; M233-N283 HydrophobicContact CE-CB 4.46Å; M233-N283 HydrophobicContact SD-CB 3.57Å; M233-N283 VanDerWaalsContact SD-CB 3.57Å; M233-L284 HydrophobicContact SD-CB 4.5Å; M233-I287 HydrophobicContact CB-CD1 4.32Å; M233-I287 HydrophobicContact CG-CD1 3.64Å; M233-I287 HydrophobicContact SD-CD1 3.76Å; M233-F302 HydrophobicContact CE-CE1 4.11Å; M233-F302 HydrophobicContact CE-CZ 3.98Å
234V98.7Very high97.9Very high1 Ų138.8 Ų38.81%0.00621%0.211CC..  trans-75.8109.9179.6-179.50000108.5L199 A202 Q203 T206 N249 A252 T253 A256L199-V234 HydrophobicContact CD1-CG1 3.89Å; L199-V234 WeakPolarHBondContact CD1-O 3.49Å; A202-V234 HydrophobicContact CB-CG1 4.06Å; Q203-V234 HydrophobicContact CB-CG1 3.88Å; T206-V234 HydrophobicContact CG2-CG2 3.94Å; V234-N249 WeakPolarHBondContact O-CA 3.37Å; V234-N249 WeakPolarHBondContact O-CB 3.36Å; V234-A252 HydrophobicContact CB-CB 4.13Å; V234-A252 HydrophobicContact CG1-CB 3.77Å; V234-T253 WeakPolarHBondContact CB-OG1 3.3Å; V234-T253 PolarHBondContact N-OG1 3.24Å; V234-A256 HydrophobicContact CG2-CB 4.24Å
235T98.5Very high97.8Very high23 Ų2340.2 Ų40.214%0.14122%0.221CC..  trans-127.9157.9173.863.20000109A202 M233 N249A202-T235 WeakPolarHBondContact CB-O 3.28Å; M233-T235 PolarHBondContact O-N 2.9Å; T235-N249 HydrophobicContact CG2-CB 4.44Å
236A98.1Very high97.8Very high14 Ų1438.6 Ų38.612%0.11622%0.217CC..  trans-62.2163.6166.900000111L199 C240 Y244L199-A236 HydrophobicContact CB-CB 4.42Å; A236-C240 HydrophobicContact CB-CB 3.81Å; A236-Y244 HydrophobicContact CB-CD2 3.64Å; A236-Y244 HydrophobicContact CB-CE2 3.65Å
237G97.5Very high97.8Very high5 Ų543 Ų435%0.05224%0.237CC..  trans-61.8149.4176.100000111.3P193 G195 H197 A239 C240P193-G237 CarbonylContact O-C 3.22Å; P193-G237 VanDerWaalsContact O-CA 3.29Å; P193-G237 WeakPolarHBondContact O-CA 3.38Å; G195-G237 CarbonylContact O-C 3.55Å; G195-G237 VanDerWaalsContact O-C 3.22Å; G195-G237 VanDerWaalsContact O-CA 3.29Å; G195-G237 WeakPolarHBondContact O-CA 3.33Å; H197-G237 PolarHBondContact CD2-N 3.49Å; H197-G237 VanDerWaalsContact CD2-N 3.31Å; H197-G237 VanDerWaalsContact CE1-CA 3.48Å; H197-G237 WeakPolarHBondContact CE1-CA 3.19Å; H197-G237 VanDerWaalsContact NE2-CA 3.29Å; H197-G237 WeakPolarHBondContact NE2-CA 3.35Å; H197-G237 PolarHBondContact NE2-N 2.98Å; H197-G237 PolarHBondContact O-N 3.1Å; G237-A239 PolarHBondContact O-N 2.98Å; G237-A239 VanDerWaalsContact O-N 3.16Å; G237-C240 WeakPolarHBondContact O-CB 3.38Å; G237-C240 PolarHBondContact O-N 3.47Å
238Q95.1Very high97.8Very high82 Ų8246.7 Ų46.738%0.38326%0.255SS..THydrogen-bonded Turntrans-59.9-27.1-177.3-76.6-75.6-15.100113.5P193 G195 F357P193-Q238 HydrophobicContact CB-CG 4.14Å; P193-Q238 HydrophobicContact CG-CG 4.28Å; P193-Q238 PolarHBondContact O-N 3.42Å; G195-Q238 PolarHBondContact O-N 3.49Å; Q238-F357 HydrophobicContact CB-CD1 4.4Å; Q238-F357 HydrophobicContact CB-CE1 4.18Å; Q238-F357 HydrophobicContact CB-CE2 4.37Å; Q238-F357 HydrophobicContact CB-CZ 4.16Å; Q238-F357 HydrophobicContact CG-CD1 4.14Å; Q238-F357 HydrophobicContact CG-CD2 3.62Å; Q238-F357 HydrophobicContact CG-CE1 4.22Å; Q238-F357 HydrophobicContact CG-CE2 3.72Å; Q238-F357 HydrophobicContact CG-CG 3.84Å; Q238-F357 HydrophobicContact CG-CZ 4.01Å
239A95.8Very high97.8Very high66 Ų6647.3 Ų47.355%0.54526%0.258SS..THydrogen-bonded Turntrans-94.86.3175.500000113.1G195 D196 G237 K241G195-A239 WeakPolarHBondContact O-CB 3.22Å; G195-A239 PolarHBondContact O-N 3.34Å; D196-A239 HydrophobicContact CB-CB 4.21Å; G237-A239 PolarHBondContact O-N 2.98Å; G237-A239 VanDerWaalsContact O-N 3.16Å; A239-K241 PolarHBondContact O-N 3.34Å
240C97.6Very high97.8Very high27 Ų2747.3 Ų47.318%0.18226%0.258CS..  trans-66.1126.8178.3-168.10000110A236 G237 K242A236-C240 HydrophobicContact CB-CB 3.81Å; G237-C240 WeakPolarHBondContact O-CB 3.38Å; G237-C240 PolarHBondContact O-N 3.47Å; C240-K242 PolarHBondContact O-N 3.38Å
241K96.3Very high97.8Very high213 Ų21350.1 Ų50.193%0.92627%0.273SS*.SBendtrans-71.2-20.4-179.4-63.6-179.2-178.4176.10113.1A239A239-K241 PolarHBondContact O-N 3.34Å
242K97.2Very high97.8Very high122 Ų12250.2 Ų50.253%0.5327%0.274SS..SBendtrans-91.6119.7178.3179.6171.1170-176.10109.3C240 Y244C240-K242 PolarHBondContact O-N 3.38Å; K242-Y244 HydrophobicContact CB-CE2 4.01Å; K242-Y244 HydrophobicContact CD-CE1 4.09Å; K242-Y244 HydrophobicContact CD-CE2 4.04Å; K242-Y244 WeakPolarHBondContact CD-OH 3.37Å; K242-Y244 HydrophobicContact CG-CD2 4.32Å; K242-Y244 HydrophobicContact CG-CE1 4.45Å; K242-Y244 HydrophobicContact CG-CE2 3.75Å; K242-Y244 VanDerWaalsContact O-CD2 3.28Å; K242-Y244 WeakPolarHBondContact O-CD2 3.22Å; K242-Y244 WeakPolarHBondContact O-CE2 3.42Å
243A94.6Very high97.8Very high93 Ų9349.6 Ų49.677%0.76927%0.271SS*.  trans-76147.3169.400000110.6
244Y98.2Very high97.8Very high43 Ų4349.7 Ų49.717%0.16927%0.271CS..  trans-127.3141.5176-67.9-91.7000109.5L199 A236 K242 E248L199-Y244 HydrophobicContact CB-CD1 3.75Å; L199-Y244 HydrophobicContact CB-CD2 3.97Å; L199-Y244 HydrophobicContact CB-CE1 3.44Å; L199-Y244 VanDerWaalsContact CB-CE1 3.44Å; L199-Y244 HydrophobicContact CB-CE2 3.72Å; L199-Y244 HydrophobicContact CB-CG 3.97Å; L199-Y244 VanDerWaalsContact CB-CZ 3.41Å; L199-Y244 HydrophobicContact CD2-CD1 3.45Å; L199-Y244 VanDerWaalsContact CD2-CD1 3.45Å; L199-Y244 HydrophobicContact CD2-CE1 3.84Å; L199-Y244 HydrophobicContact CD2-CG 3.91Å; L199-Y244 HydrophobicContact CG-CD1 4.22Å; L199-Y244 HydrophobicContact CG-CE1 4.28Å; L199-Y244 HydrophobicContact CG-CG 4.47Å; L199-Y244 PolarHBondContact N-OH 2.9Å; A236-Y244 HydrophobicContact CB-CD2 3.64Å; A236-Y244 HydrophobicContact CB-CE2 3.65Å; K242-Y244 HydrophobicContact CB-CE2 4.01Å; K242-Y244 HydrophobicContact CD-CE1 4.09Å; K242-Y244 HydrophobicContact CD-CE2 4.04Å; K242-Y244 WeakPolarHBondContact CD-OH 3.37Å; K242-Y244 HydrophobicContact CG-CD2 4.32Å; K242-Y244 HydrophobicContact CG-CE1 4.45Å; K242-Y244 HydrophobicContact CG-CE2 3.75Å; K242-Y244 VanDerWaalsContact O-CD2 3.28Å; K242-Y244 WeakPolarHBondContact O-CD2 3.22Å; K242-Y244 WeakPolarHBondContact O-CE2 3.42Å; Y244-E248 HydrophobicContact CD1-CB 4.29Å
245T98.2Very high97.8Very high64 Ų6454.9 Ų54.939%0.39329%0.291SS..  trans-71.6156.1177.9600000111.2Q247 E248 N249T245-Q247 PolarHBondContact O-N 2.94Å; T245-E248 PolarHBondContact N-OE2 3.07Å; T245-E248 PolarHBondContact O-N 3.15Å; T245-E248 VanDerWaalsContact OG1-CG 3.28Å; T245-E248 WeakPolarHBondContact OG1-CG 3.29Å; T245-E248 PolarHBondContact OG1-N 3.47Å; T245-E248 PolarHBondContact OG1-OE2 3.42Å; T245-N249 PolarHBondContact O-N 3.03Å; T245-N249 PolarHBondContact O-ND2 3.46Å
246P97.9Very high97.8Very high34 Ų3453.8 Ų53.822%0.22128%0.284CS..Hα-helixtrans-55-32.5172.2-28.236.8000113.7A250 K282 N283 E286P246-A250 WeakPolarHBondContact O-CB 3.42Å; P246-A250 PolarHBondContact O-N 2.94Å; P246-K282 HydrophobicContact CB-CB 4.32Å; P246-K282 HydrophobicContact CG-CB 4.22Å; P246-N283 VanDerWaalsContact CA-OD1 3.26Å; P246-N283 WeakPolarHBondContact CA-OD1 3.41Å; P246-E286 HydrophobicContact CB-CB 4.43Å; P246-E286 HydrophobicContact CB-CG 3.84Å
247Q98.5Very high97.9Very high92 Ų9253.3 Ų53.343%0.4328%0.28SS..Hα-helixtrans-66.8-41175.5-6975.614.900112.6T245 A250 L251 E286T245-Q247 PolarHBondContact O-N 2.94Å; Q247-A250 PolarHBondContact O-N 3.41Å; Q247-L251 WeakPolarHBondContact O-CB 3.37Å; Q247-L251 PolarHBondContact O-N 3.48Å; Q247-E286 HydrophobicContact CG-CG 4.26Å; Q247-E286 WeakPolarHBondContact CG-OE2 3.41Å; Q247-E286 PolarHBondContact NE2-OE2 3.29Å
248E98.8Very high97.9Very high79 Ų7956.8 Ų56.837%0.36930%0.295SS..Hα-helixtrans-65.9-45.4175.8-74.1167120.900111.3L199 Y244 T245 A250 L251 A252L199-E248 HydrophobicContact CD2-CB 3.95Å; Y244-E248 HydrophobicContact CD1-CB 4.29Å; T245-E248 PolarHBondContact N-OE2 3.07Å; T245-E248 PolarHBondContact O-N 3.15Å; T245-E248 VanDerWaalsContact OG1-CG 3.28Å; T245-E248 WeakPolarHBondContact OG1-CG 3.29Å; T245-E248 PolarHBondContact OG1-N 3.47Å; T245-E248 PolarHBondContact OG1-OE2 3.42Å; E248-A250 VanDerWaalsContact C-N 3.33Å; E248-A250 PolarHBondContact O-N 3.02Å; E248-L251 PolarHBondContact O-N 2.91Å; E248-A252 WeakPolarHBondContact O-CB 3.43Å; E248-A252 PolarHBondContact O-N 3.11Å
249N98.8Very high98.1Very high14 Ų1459.5 Ų59.58%0.07530%0.301CS..Hα-helixtrans-59.8-43.9175.2-64.1-27000111.4V234 T235 T245 A252 T253 N283V234-N249 WeakPolarHBondContact O-CA 3.37Å; V234-N249 WeakPolarHBondContact O-CB 3.36Å; T235-N249 HydrophobicContact CG2-CB 4.44Å; T245-N249 PolarHBondContact O-N 3.03Å; T245-N249 PolarHBondContact O-ND2 3.46Å; N249-A252 PolarHBondContact O-N 3.39Å; N249-T253 WeakPolarHBondContact O-CB 3.32Å; N249-T253 PolarHBondContact O-N 2.99Å; N249-T253 PolarHBondContact O-OG1 2.86Å; N249-N283 WeakPolarHBondContact CB-OD1 3Å; N249-N283 PolarHBondContact ND2-OD1 3.08Å; N249-N283 VanDerWaalsContact ND2-OD1 3.08Å
250A98.8Very high98.2Very high0 Ų057.4 Ų57.40%028%0.282CS..Hα-helixtrans-61.6-45.8177.600000112.4P246 Q247 E248 T253 V254 E286 I287 I290P246-A250 WeakPolarHBondContact O-CB 3.42Å; P246-A250 PolarHBondContact O-N 2.94Å; Q247-A250 PolarHBondContact O-N 3.41Å; E248-A250 VanDerWaalsContact C-N 3.33Å; E248-A250 PolarHBondContact O-N 3.02Å; A250-T253 PolarHBondContact O-N 3Å; A250-V254 WeakPolarHBondContact O-CG2 3.37Å; A250-V254 PolarHBondContact O-N 3.39Å; A250-E286 HydrophobicContact CB-CB 3.66Å; A250-I287 HydrophobicContact CB-CB 4.4Å; A250-I287 HydrophobicContact CB-CG1 3.81Å; A250-I287 VanDerWaalsContact CB-N 3.3Å; A250-I290 HydrophobicContact CB-CD1 3.98Å; A250-I290 HydrophobicContact CB-CG1 3.98Å
251L98.8Very high98.2Very high62 Ų6256.6 Ų56.633%0.32528%0.276SS..Hα-helixtrans-63.8-42.6177.9-177.761.5000111.7Q247 E248 T253 R255 I290Q247-L251 WeakPolarHBondContact O-CB 3.37Å; Q247-L251 PolarHBondContact O-N 3.48Å; E248-L251 PolarHBondContact O-N 2.91Å; L251-T253 VanDerWaalsContact C-N 3.35Å; L251-R255 HydrophobicContact CD1-CG 4.32Å; L251-R255 VanDerWaalsContact O-CB 3.31Å; L251-R255 WeakPolarHBondContact O-CB 3.25Å; L251-R255 VanDerWaalsContact O-CG 3.24Å; L251-R255 WeakPolarHBondContact O-CG 3.3Å; L251-R255 PolarHBondContact O-N 3.31Å; L251-I290 HydrophobicContact CB-CD1 4.23Å
252A98.9Very high98.4Very high3 Ų348.3 Ų48.33%0.02524%0.244CC..Hα-helixtrans-62.1-43.5175.400000111.4L199 Q203 V234 E248 N249 A256L199-A252 HydrophobicContact CD1-CB 4.03Å; L199-A252 HydrophobicContact CD2-CB 4.07Å; L199-A252 HydrophobicContact CG-CB 3.99Å; Q203-A252 HydrophobicContact CB-CB 4.34Å; Q203-A252 HydrophobicContact CG-CB 4.29Å; V234-A252 HydrophobicContact CB-CB 4.13Å; V234-A252 HydrophobicContact CG1-CB 3.77Å; E248-A252 WeakPolarHBondContact O-CB 3.43Å; E248-A252 PolarHBondContact O-N 3.11Å; N249-A252 PolarHBondContact O-N 3.39Å; A252-A256 WeakPolarHBondContact O-CB 3.46Å; A252-A256 PolarHBondContact O-N 3.35Å
253T98.9Very high98.4Very high3 Ų347.1 Ų47.12%0.01825%0.249CC..Hα-helixtrans-62.1-52.9178-55.80000111.6V234 N249 A250 L251 R255 A256 L257 F270 I287V234-T253 WeakPolarHBondContact CB-OG1 3.3Å; V234-T253 PolarHBondContact N-OG1 3.24Å; N249-T253 WeakPolarHBondContact O-CB 3.32Å; N249-T253 PolarHBondContact O-N 2.99Å; N249-T253 PolarHBondContact O-OG1 2.86Å; A250-T253 PolarHBondContact O-N 3Å; L251-T253 VanDerWaalsContact C-N 3.35Å; T253-R255 VanDerWaalsContact C-N 3.32Å; T253-R255 PolarHBondContact O-N 3.44Å; T253-A256 PolarHBondContact O-N 2.89Å; T253-L257 HydrophobicContact CG2-CD1 4.28Å; T253-L257 WeakPolarHBondContact O-CG 3.37Å; T253-L257 PolarHBondContact O-N 3.49Å; T253-F270 HydrophobicContact CG2-CD1 4.5Å; T253-F270 HydrophobicContact CG2-CE1 3.5Å; T253-F270 VanDerWaalsContact CG2-CE1 3.5Å; T253-F270 HydrophobicContact CG2-CZ 3.77Å; T253-I287 HydrophobicContact CG2-CD1 3.8Å; T253-I287 HydrophobicContact CG2-CG1 4.25Å
254V98.9Very high98.6Very high4 Ų444.3 Ų44.32%0.02423%0.225CC..Hα-helixtrans-63.8-38.4-178.4172.30000111.3A250 L257 Q258 I287 I290 K294A250-V254 WeakPolarHBondContact O-CG2 3.37Å; A250-V254 PolarHBondContact O-N 3.39Å; V254-L257 PolarHBondContact O-N 2.73Å; V254-Q258 HydrophobicContact CG1-CG 4.13Å; V254-Q258 WeakPolarHBondContact O-CB 3.41Å; V254-Q258 VanDerWaalsContact O-CG 3.27Å; V254-Q258 WeakPolarHBondContact O-CG 3.25Å; V254-Q258 PolarHBondContact O-N 3.33Å; V254-I287 HydrophobicContact CG2-CG2 4Å; V254-I290 HydrophobicContact CB-CB 4.4Å; V254-I290 HydrophobicContact CB-CG1 4.4Å; V254-I290 HydrophobicContact CB-CG2 4.08Å; V254-I290 HydrophobicContact CG1-CB 4.44Å; V254-I290 HydrophobicContact CG1-CG2 3.85Å; V254-I290 HydrophobicContact CG2-CB 3.98Å; V254-I290 HydrophobicContact CG2-CG1 3.9Å; V254-I290 HydrophobicContact CG2-CG2 4.22Å; V254-K294 HydrophobicContact CG1-CD 4.13Å; V254-K294 HydrophobicContact CG1-CG 4.23Å; V254-K294 HydrophobicContact CG2-CD 4.24Å
255R98.6Very high98.7Very high109 Ų10942.3 Ų42.341%0.41122%0.218SC..Hα-helixtrans-63.5-42.7175-77.9174.3172.5167.5-1112.5L251 T253 Q258 R259L251-R255 HydrophobicContact CD1-CG 4.32Å; L251-R255 VanDerWaalsContact O-CB 3.31Å; L251-R255 WeakPolarHBondContact O-CB 3.25Å; L251-R255 VanDerWaalsContact O-CG 3.24Å; L251-R255 WeakPolarHBondContact O-CG 3.3Å; L251-R255 PolarHBondContact O-N 3.31Å; T253-R255 VanDerWaalsContact C-N 3.32Å; T253-R255 PolarHBondContact O-N 3.44Å; R255-Q258 PolarHBondContact O-N 3.4Å; R255-R259 WeakPolarHBondContact O-CB 3.35Å; R255-R259 WeakPolarHBondContact O-CD 3.39Å; R255-R259 VanDerWaalsContact O-CG 3.23Å; R255-R259 WeakPolarHBondContact O-CG 3.26Å; R255-R259 PolarHBondContact O-N 3.48Å; R255-R259 VanDerWaalsContact O-N 3.17Å
256A98.8Very high98.7Very high1 Ų140.4 Ų40.41%0.00821%0.207CC..Hα-helixtrans-59.1-49.9175.500000110.2Q203 T206 E207 V234 A252 T253 Q258 R259 T260Q203-A256 HydrophobicContact CG-CB 4.29Å; T206-A256 HydrophobicContact CG2-CB 4.29Å; E207-A256 HydrophobicContact CG-CB 3.87Å; V234-A256 HydrophobicContact CG2-CB 4.24Å; A252-A256 WeakPolarHBondContact O-CB 3.46Å; A252-A256 PolarHBondContact O-N 3.35Å; T253-A256 PolarHBondContact O-N 2.89Å; A256-Q258 PolarHBondContact O-N 2.97Å; A256-R259 PolarHBondContact O-N 3.35Å; A256-T260 PolarHBondContact O-N 3.46Å; A256-T260 PolarHBondContact O-OG1 3.08Å
257L98.8Very high98.7Very high4 Ų438.8 Ų38.82%0.02120%0.196CC..Hα-helixtrans-59.9-48.4178.5-63.7173.6000112.7L210 L229 P231 T253 V254 R259 T260 V261 I268 F270 W296 L298L210-L257 HydrophobicContact CD1-CD2 4.13Å; L229-L257 HydrophobicContact CD2-CD2 4.12Å; P231-L257 HydrophobicContact CG-CD2 4.48Å; T253-L257 HydrophobicContact CG2-CD1 4.28Å; T253-L257 WeakPolarHBondContact O-CG 3.37Å; T253-L257 PolarHBondContact O-N 3.49Å; V254-L257 PolarHBondContact O-N 2.73Å; L257-R259 PolarHBondContact O-N 3.38Å; L257-R259 VanDerWaalsContact O-N 3.16Å; L257-T260 PolarHBondContact O-N 3.44Å; L257-T260 VanDerWaalsContact O-N 3.14Å; L257-V261 HydrophobicContact CB-CG2 4.22Å; L257-V261 HydrophobicContact CD2-CG2 3.64Å; L257-V261 WeakPolarHBondContact O-CB 3.35Å; L257-V261 PolarHBondContact O-N 3.17Å; L257-I268 HydrophobicContact CD1-CG1 4.36Å; L257-I268 HydrophobicContact CD1-CG2 4.4Å; L257-I268 HydrophobicContact CD2-CG1 4.48Å; L257-I268 HydrophobicContact CD2-CG2 4.25Å; L257-F270 HydrophobicContact CD1-CE1 4.16Å; L257-F270 HydrophobicContact CD1-CZ 3.74Å; L257-W296 HydrophobicContact CB-CE3 4.43Å; L257-W296 HydrophobicContact CB-CZ3 3.92Å; L257-L298 HydrophobicContact CD1-CD2 3.98Å
258Q98.5Very high98.7Very high78 Ų7834.4 Ų34.436%0.36418%0.176SC..Hα-helixtrans-58.4-27.7178.8-78.3175.7-23.300113.4V254 R255 A256 P293 W296V254-Q258 HydrophobicContact CG1-CG 4.13Å; V254-Q258 WeakPolarHBondContact O-CB 3.41Å; V254-Q258 VanDerWaalsContact O-CG 3.27Å; V254-Q258 WeakPolarHBondContact O-CG 3.25Å; V254-Q258 PolarHBondContact O-N 3.33Å; R255-Q258 PolarHBondContact O-N 3.4Å; A256-Q258 PolarHBondContact O-N 2.97Å; Q258-P293 PolarHBondContact NE2-O 2.78Å; Q258-W296 HydrophobicContact CG-CZ3 4.47Å
259R98.3Very high98.7Very high138 Ų13830.7 Ų30.752%0.52116%0.158SC..Hα-helixtrans-85.9-19.6-179.2-73.7168.5176.4176.4-0.6113.6Q203 E207 R255 A256 L257Q203-R259 VanDerWaalsContact NE2-NH1 3.17Å; E207-R259 WeakPolarHBondContact OE1-CD 3.24Å; E207-R259 IonicContact OE1-CZ 2.7Å; E207-R259 IonicContact OE1-NE 3.89Å; E207-R259 IonicContact OE1-NH1 3.81Å; E207-R259 PolarHBondContact OE1-NH1 3.48Å; E207-R259 IonicContact OE2-NH1 2.6Å; E207-R259 PolarHBondContact OE2-NH1 3.24Å; R255-R259 WeakPolarHBondContact O-CB 3.35Å; R255-R259 WeakPolarHBondContact O-CD 3.39Å; R255-R259 VanDerWaalsContact O-CG 3.23Å; R255-R259 WeakPolarHBondContact O-CG 3.26Å; R255-R259 PolarHBondContact O-N 3.48Å; R255-R259 VanDerWaalsContact O-N 3.17Å; A256-R259 PolarHBondContact O-N 3.35Å; L257-R259 PolarHBondContact O-N 3.38Å; L257-R259 VanDerWaalsContact O-N 3.16Å
260T98.7Very high98.7Very high23 Ų2330 Ų3014%0.14116%0.155CC..Hα-helixtrans-133.4-24.4-165.1620000115.2E207 L210 Y214 A256 L257E207-T260 HydrophobicContact CB-CG2 4.19Å; E207-T260 HydrophobicContact CG-CG2 4.38Å; E207-T260 VanDerWaalsContact O-CG2 3.3Å; E207-T260 WeakPolarHBondContact O-CG2 3.33Å; L210-T260 HydrophobicContact CB-CG2 4.19Å; L210-T260 VanDerWaalsContact CB-OG1 3.26Å; L210-T260 WeakPolarHBondContact CB-OG1 3.47Å; L210-T260 WeakPolarHBondContact CD1-OG1 3.3Å; Y214-T260 WeakPolarHBondContact CD2-O 3.35Å; A256-T260 PolarHBondContact O-N 3.46Å; A256-T260 PolarHBondContact O-OG1 3.08Å; L257-T260 PolarHBondContact O-N 3.44Å; L257-T260 VanDerWaalsContact O-N 3.14Å
261V98.8Very high98.7Very high10 Ų1030.4 Ų30.46%0.06116%0.157CC..SBendtrans-93.2128.9-175.7-176.20000109.3L210 Y214 L229 L257 V265 I268 W296L210-V261 HydrophobicContact CD1-CG2 4.3Å; Y214-V261 HydrophobicContact CE2-CB 4.16Å; Y214-V261 HydrophobicContact CE2-CG1 4.03Å; Y214-V261 HydrophobicContact CE2-CG2 3.79Å; L229-V261 HydrophobicContact CD2-CG2 3.96Å; L257-V261 HydrophobicContact CB-CG2 4.22Å; L257-V261 HydrophobicContact CD2-CG2 3.64Å; L257-V261 WeakPolarHBondContact O-CB 3.35Å; L257-V261 PolarHBondContact O-N 3.17Å; V261-V265 HydrophobicContact CG1-CB 4.18Å; V261-V265 HydrophobicContact CG1-CG2 3.99Å; V261-I268 HydrophobicContact CG1-CD1 4Å; V261-W296 HydrophobicContact CB-CH2 4.02Å; V261-W296 HydrophobicContact CB-CZ2 3.69Å; V261-W296 HydrophobicContact CG1-CD2 4.26Å; V261-W296 HydrophobicContact CG1-CZ2 3.77Å; V261-W296 WeakPolarHBondContact O-CZ2 3.3Å
262P98.7Very high98.6Very high38 Ų3827.7 Ų27.725%0.24714%0.143CC..  trans-68.2143.6173.2-24.136000112.6Y214 L224 A264 V265 W296Y214-P262 HydrophobicContact CD1-CG 3.73Å; Y214-P262 VanDerWaalsContact CE1-CD 3.46Å; Y214-P262 HydrophobicContact CE1-CG 4.19Å; Y214-P262 HydrophobicContact CG-CG 4.16Å; L224-P262 HydrophobicContact CD1-CB 3.89Å; L224-P262 HydrophobicContact CD1-CG 3.89Å; P262-A264 PolarHBondContact O-N 3.05Å; P262-A264 VanDerWaalsContact O-N 3.1Å; P262-V265 PolarHBondContact O-N 3.49Å; P262-W296 PolarHBondContact O-NE1 2.97Å
263P98.5Very high98.2Very high97 Ų9728 Ų2863%0.6315%0.146SC*.THydrogen-bonded Turntrans-64.4-14.6179.127.2-36.2000114.3V265 P295P263-V265 VanDerWaalsContact C-N 3.3Å; P263-P295 HydrophobicContact CB-CB 4.05Å; P263-P295 HydrophobicContact CB-CG 3.75Å
264A98.6Very high97.7Very high34 Ų3427.9 Ų27.928%0.28115%0.146SC..THydrogen-bonded Turntrans-71.4-21.7177.300000113.6L224 E225 P262L224-A264 HydrophobicContact CB-CB 4.08Å; E225-A264 VanDerWaalsContact CA-O 3.31Å; E225-A264 WeakPolarHBondContact CA-O 3.46Å; E225-A264 HydrophobicContact CG-CB 4.3Å; E225-A264 WeakPolarHBondContact CG-O 3.38Å; P262-A264 PolarHBondContact O-N 3.05Å; P262-A264 VanDerWaalsContact O-N 3.1Å
265V98.9Very high97.5Very high2 Ų228.4 Ų28.41%0.01215%0.148CC..  trans-62.2135.2175.3-179.60000108.2Y214 L224 V261 P262 P263 I268Y214-V265 HydrophobicContact CE1-CG2 3.63Å; Y214-V265 WeakPolarHBondContact OH-CG2 3.19Å; L224-V265 HydrophobicContact CB-CG2 4.47Å; V261-V265 HydrophobicContact CG1-CB 4.18Å; V261-V265 HydrophobicContact CG1-CG2 3.99Å; P262-V265 PolarHBondContact O-N 3.49Å; P263-V265 VanDerWaalsContact C-N 3.3Å; V265-I268 HydrophobicContact CG1-CD1 4.21Å
266P98.5Very high97.3Very high24 Ų2423.3 Ų23.316%0.15613%0.129CC..  trans-73.7-37.4179.8-22.534.4000113.6A20 L224 E225 T227 L228 A297A20-P266 HydrophobicContact CB-CB 4.21Å; A20-P266 HydrophobicContact CB-CG 3.85Å; L224-P266 WeakPolarHBondContact O-CD 3.29Å; E225-P266 WeakPolarHBondContact O-CG 3.2Å; T227-P266 VanDerWaalsContact O-CD 3.23Å; T227-P266 WeakPolarHBondContact O-CD 3.26Å; L228-P266 HydrophobicContact CD2-CB 4.45Å; P266-A297 PolarHBondContact O-N 2.99Å
267G98.7Very high97.2Very high0 Ų023.3 Ų23.30%013%0.129CC..EExtended strand (participates in β ladder)trans-165156.8-173.300000115.8L229 A297L229-G267 PolarHBondContact N-O 2.92Å; G267-A297 CarbonylContact C-O 3.59Å; G267-A297 VanDerWaalsContact CA-O 3.26Å; G267-A297 WeakPolarHBondContact CA-O 3.06Å
268I98.9Very high97.1Very high0 Ų023.7 Ų23.70%013%0.131CC..EExtended strand (participates in β ladder)trans-114.7122177.5-42.6-57.5000107.3L229 P231 L257 V261 V265 F270 W296 A297 L298 T299L229-I268 HydrophobicContact CB-CD1 3.74Å; L229-I268 HydrophobicContact CB-CG2 4.44Å; L229-I268 HydrophobicContact CD2-CD1 3.92Å; L229-I268 HydrophobicContact CD2-CG2 4.29Å; L229-I268 HydrophobicContact CG-CD1 4.46Å; L229-I268 CarbonylContact O-C 3.55Å; L229-I268 WeakPolarHBondContact O-CA 3.4Å; P231-I268 HydrophobicContact CG-CG2 3.47Å; P231-I268 VanDerWaalsContact CG-CG2 3.47Å; L257-I268 HydrophobicContact CD1-CG1 4.36Å; L257-I268 HydrophobicContact CD1-CG2 4.4Å; L257-I268 HydrophobicContact CD2-CG1 4.48Å; L257-I268 HydrophobicContact CD2-CG2 4.25Å; V261-I268 HydrophobicContact CG1-CD1 4Å; V265-I268 HydrophobicContact CG1-CD1 4.21Å; I268-F270 HydrophobicContact CB-CZ 4.44Å; I268-F270 HydrophobicContact CG2-CD1 4.25Å; I268-F270 HydrophobicContact CG2-CE1 3.85Å; I268-F270 HydrophobicContact CG2-CE2 4.23Å; I268-F270 HydrophobicContact CG2-CZ 3.85Å; I268-W296 HydrophobicContact CD1-CB 4.33Å; I268-W296 HydrophobicContact CD1-CG 4.1Å; I268-W296 HydrophobicContact CG1-CB 3.86Å; I268-W296 HydrophobicContact CG1-CD2 4.46Å; I268-W296 HydrophobicContact CG1-CG 4.05Å; I268-A297 PolarHBondContact N-O 3.4Å; I268-L298 HydrophobicContact CB-CD2 3.73Å; I268-L298 HydrophobicContact CG1-CD2 3.58Å; I268-T299 PolarHBondContact O-N 2.91Å
269T98.8Very high96.9Very high0 Ų023.2 Ų23.20%013%0.131CC..EExtended strand (participates in β ladder)trans-115.579.9-173.861.10000109.6I30 L228 L229 K230 L271 T299 S301I30-T269 HydrophobicContact CD1-CG2 4.01Å; L228-T269 HydrophobicContact CD1-CG2 4.32Å; L229-T269 PolarHBondContact O-N 2.98Å; L229-T269 PolarHBondContact O-OG1 3.2Å; K230-T269 WeakPolarHBondContact CA-O 3.44Å; K230-T269 WeakPolarHBondContact CB-O 3.45Å; K230-T269 WeakPolarHBondContact CG-O 3.49Å; T269-L271 PolarHBondContact O-N 3.08Å; T269-T299 CarbonylContact C-O 3.56Å; T269-T299 WeakPolarHBondContact CA-O 3.07Å; T269-T299 HydrophobicContact CG2-CG2 3.79Å; T269-S301 WeakPolarHBondContact O-CB 3.3Å
270F98.9Very high96.9Very high0 Ų016.6 Ų16.60%011%0.106CC..EExtended strand (participates in β ladder)trans-57.4139-169.4-63.6-77.4000113.2P231 M233 T253 L257 I268 L284 I287 L298 T299 S301 F302P231-F270 HydrophobicContact CG-CD1 3.82Å; P231-F270 HydrophobicContact CG-CE1 3.88Å; P231-F270 WeakPolarHBondContact O-CA 3.22Å; M233-F270 HydrophobicContact CG-CB 3.91Å; M233-F270 HydrophobicContact CG-CD1 3.68Å; M233-F270 HydrophobicContact CG-CE1 4.32Å; M233-F270 HydrophobicContact CG-CG 3.79Å; T253-F270 HydrophobicContact CG2-CD1 4.5Å; T253-F270 HydrophobicContact CG2-CE1 3.5Å; T253-F270 VanDerWaalsContact CG2-CE1 3.5Å; T253-F270 HydrophobicContact CG2-CZ 3.77Å; L257-F270 HydrophobicContact CD1-CE1 4.16Å; L257-F270 HydrophobicContact CD1-CZ 3.74Å; I268-F270 HydrophobicContact CB-CZ 4.44Å; I268-F270 HydrophobicContact CG2-CD1 4.25Å; I268-F270 HydrophobicContact CG2-CE1 3.85Å; I268-F270 HydrophobicContact CG2-CE2 4.23Å; I268-F270 HydrophobicContact CG2-CZ 3.85Å; F270-L284 HydrophobicContact CD2-CD1 3.81Å; F270-L284 HydrophobicContact CE2-CD1 4.29Å; F270-I287 HydrophobicContact CD2-CD1 4.49Å; F270-I287 HydrophobicContact CE1-CD1 4.44Å; F270-I287 HydrophobicContact CE2-CD1 4.11Å; F270-I287 HydrophobicContact CE2-CG2 3.96Å; F270-I287 HydrophobicContact CZ-CD1 4.07Å; F270-I287 HydrophobicContact CZ-CG2 4.12Å; F270-L298 HydrophobicContact CE2-CB 4.19Å; F270-L298 HydrophobicContact CE2-CD2 4.23Å; F270-L298 HydrophobicContact CZ-CD2 4.27Å; F270-T299 VanDerWaalsContact CD2-O 3.22Å; F270-T299 WeakPolarHBondContact CD2-O 3.16Å; F270-T299 PolarHBondContact N-O 3.31Å; F270-S301 CarbonylContact O-C 3.35Å; F270-S301 PolarHBondContact O-N 2.82Å; F270-F302 HydrophobicContact CB-CE1 4.44Å; F270-F302 WeakPolarHBondContact O-CD1 3.34Å; F270-F302 WeakPolarHBondContact O-CE1 3.32Å
271L98.3Very high96.9Very high8 Ų815.5 Ų15.54%0.04210%0.099CC..BIsolated β-bridgetrans-78.9153.2162.960.890.1000110.4E188 E190 K230 P231 N232 T269 G273E188-L271 HydrophobicContact CG-CD2 4Å; E188-L271 WeakPolarHBondContact OE1-CD2 3.19Å; E190-L271 HydrophobicContact CB-CD2 3.74Å; E190-L271 HydrophobicContact CG-CD1 4.01Å; E190-L271 HydrophobicContact CG-CD2 3.68Å; K230-L271 HydrophobicContact CG-CB 4.27Å; K230-L271 HydrophobicContact CG-CD2 4.35Å; P231-L271 WeakPolarHBondContact O-CG 3.24Å; P231-L271 PolarHBondContact O-N 3.48Å; P231-L271 VanDerWaalsContact O-N 3.1Å; N232-L271 HydrophobicContact CB-CD1 4.1Å; T269-L271 PolarHBondContact O-N 3.08Å; L271-G273 VanDerWaalsContact C-N 3.34Å; L271-G273 VanDerWaalsContact CD1-CA 3.43Å; L271-G273 VanDerWaalsContact CD1-N 3.25Å
272S95.5Very high96.8Very high5 Ų518.3 Ų18.34%0.03511%0.11CC..  trans-78.9-15.8-179.669.20000113.7G274 Q275 A305S272-G274 PolarHBondContact O-N 3.23Å; S272-Q275 VanDerWaalsContact O-CB 3.26Å; S272-Q275 WeakPolarHBondContact O-CB 3.49Å; S272-Q275 WeakPolarHBondContact O-CG 3.27Å; S272-Q275 PolarHBondContact O-N 3.14Å; S272-Q275 PolarHBondContact O-NE2 3.49Å; S272-A305 VanDerWaalsContact CB-CB 3.47Å
273G91Very high96.8Very high10 Ų1016.8 Ų16.810%0.10310%0.1CC..THydrogen-bonded Turntrans6220.6172.100000115.1L271 Q275L271-G273 VanDerWaalsContact C-N 3.34Å; L271-G273 VanDerWaalsContact CD1-CA 3.43Å; L271-G273 VanDerWaalsContact CD1-N 3.25Å; G273-Q275 VanDerWaalsContact C-N 3.31Å; G273-Q275 PolarHBondContact O-N 3.23Å
274G89.3Confident96.9Very high0 Ų012.2 Ų12.20%07%0.07CC..THydrogen-bonded Turntrans80.46.2-175.700000115S272 L356 F357S272-G274 PolarHBondContact O-N 3.23Å; G274-L356 CarbonylContact O-C 3.57Å; G274-L356 WeakPolarHBondContact O-CA 3.3Å; G274-L356 PolarHBondContact O-N 3.01Å; G274-L356 VanDerWaalsContact O-N 3.16Å; G274-F357 WeakPolarHBondContact O-CA 3.26Å; G274-F357 PolarHBondContact O-N 3.32Å
275Q94.9Very high96.9Very high16 Ų1610.8 Ų10.88%0.0756%0.058CC..  trans-58.7156.1166.3-63.1170.250.400110.6S272 G273 D279 A280 N283S272-Q275 VanDerWaalsContact O-CB 3.26Å; S272-Q275 WeakPolarHBondContact O-CB 3.49Å; S272-Q275 WeakPolarHBondContact O-CG 3.27Å; S272-Q275 PolarHBondContact O-N 3.14Å; S272-Q275 PolarHBondContact O-NE2 3.49Å; G273-Q275 VanDerWaalsContact C-N 3.31Å; G273-Q275 PolarHBondContact O-N 3.23Å; Q275-D279 HydrophobicContact CB-CB 4.23Å; Q275-A280 HydrophobicContact CB-CB 4.12Å; Q275-N283 PolarHBondContact OE1-ND2 2.73Å
276S94.7Very high96.9Very high1 Ų112 Ų121%0.0076%0.064CC..  trans-59163.9168.970.50000110.8L278 D279 A280 D353 K354S276-L278 VanDerWaalsContact C-N 3.29Å; S276-L278 PolarHBondContact O-N 2.86Å; S276-D279 PolarHBondContact O-N 2.88Å; S276-D279 VanDerWaalsContact OG-CB 3.23Å; S276-D279 WeakPolarHBondContact OG-CB 3.29Å; S276-D279 PolarHBondContact OG-N 3.22Å; S276-D279 PolarHBondContact OG-OD2 3.31Å; S276-A280 WeakPolarHBondContact O-CB 3.08Å; S276-A280 PolarHBondContact O-N 2.87Å; S276-D353 VanDerWaalsContact CB-C 3.45Å; S276-D353 WeakPolarHBondContact CB-O 3.2Å; S276-K354 WeakPolarHBondContact CA-O 3.41Å; S276-K354 VanDerWaalsContact CB-O 3.28Å; S276-K354 WeakPolarHBondContact CB-O 3.35Å
277E96.2Very high96.9Very high1 Ų110.9 Ų10.91%0.0056%0.056CC..Hα-helixtrans-58.5-46.9176-61179.515900109.6T281 S309 L331 M347 T349 G352 L356E277-T281 PolarHBondContact O-N 3.19Å; E277-T281 PolarHBondContact O-OG1 3.32Å; E277-T281 VanDerWaalsContact O-OG1 3.04Å; E277-S309 WeakPolarHBondContact OE1-CB 3.28Å; E277-S309 PolarHBondContact OE1-N 2.96Å; E277-S309 PolarHBondContact OE1-OG 3.47Å; E277-S309 VanDerWaalsContact OE1-OG 3.09Å; E277-S309 WeakPolarHBondContact OE2-CB 3.45Å; E277-S309 PolarHBondContact OE2-OG 2.89Å; E277-L331 HydrophobicContact CB-CD2 3.97Å; E277-L331 HydrophobicContact CG-CD2 4.04Å; E277-M347 HydrophobicContact CB-CE 4.33Å; E277-M347 HydrophobicContact CB-SD 3.84Å; E277-M347 WeakPolarHBondContact O-CE 3.34Å; E277-T349 WeakPolarHBondContact OE2-CB 3.37Å; E277-T349 PolarHBondContact OE2-OG1 3.49Å; E277-G352 PolarHBondContact N-O 2.86Å; E277-L356 HydrophobicContact CG-CD1 4.12Å
278L95.7Very high96.9Very high13 Ų1312.5 Ų12.57%0.0687%0.065CC..Hα-helixtrans-66.9-42.4-179.5-172.159.4000113.2S276 T281 K282 F343 M347 G352 D353S276-L278 VanDerWaalsContact C-N 3.29Å; S276-L278 PolarHBondContact O-N 2.86Å; L278-T281 PolarHBondContact O-N 3.22Å; L278-K282 HydrophobicContact CD1-CD 4.38Å; L278-K282 HydrophobicContact CD1-CG 4.26Å; L278-K282 HydrophobicContact CD2-CD 4.39Å; L278-K282 HydrophobicContact CG-CD 3.96Å; L278-K282 HydrophobicContact CG-CG 4.29Å; L278-K282 WeakPolarHBondContact O-CB 3.48Å; L278-K282 WeakPolarHBondContact O-CG 3.37Å; L278-K282 PolarHBondContact O-N 2.85Å; L278-F343 HydrophobicContact CD1-CE1 3.72Å; L278-F343 HydrophobicContact CD1-CZ 3.72Å; L278-M347 HydrophobicContact CD1-CB 4.4Å; L278-G352 PolarHBondContact N-O 3.47Å; L278-G352 VanDerWaalsContact N-O 3.09Å; L278-D353 WeakPolarHBondContact CB-OD1 3.27Å; L278-D353 WeakPolarHBondContact CD2-OD1 3.49Å; L278-D353 WeakPolarHBondContact CG-OD1 3.34Å
279D95.6Very high96.8Very high67 Ų6717.3 Ų17.336%0.3589%0.086SC..Hα-helixtrans-67.2-41.4-178.7-67.8-36.9000111.7Q275 S276 T281 K282 N283Q275-D279 HydrophobicContact CB-CB 4.23Å; S276-D279 PolarHBondContact O-N 2.88Å; S276-D279 VanDerWaalsContact OG-CB 3.23Å; S276-D279 WeakPolarHBondContact OG-CB 3.29Å; S276-D279 PolarHBondContact OG-N 3.22Å; S276-D279 PolarHBondContact OG-OD2 3.31Å; D279-T281 VanDerWaalsContact C-N 3.29Å; D279-T281 PolarHBondContact O-N 2.81Å; D279-K282 PolarHBondContact O-N 2.77Å; D279-N283 WeakPolarHBondContact O-CB 3.29Å; D279-N283 PolarHBondContact O-N 3.25Å; D279-N283 PolarHBondContact O-ND2 2.95Å; D279-N283 VanDerWaalsContact O-ND2 3.12Å
280A97.8Very high96.8Very high0 Ų018.4 Ų18.40%09%0.091CC..Hα-helixtrans-59.6-43.1175.900000111.2M233 Q275 S276 L284 F302 A305M233-A280 HydrophobicContact CE-CB 4.24Å; Q275-A280 HydrophobicContact CB-CB 4.12Å; S276-A280 WeakPolarHBondContact O-CB 3.08Å; S276-A280 PolarHBondContact O-N 2.87Å; A280-L284 WeakPolarHBondContact O-CB 3.29Å; A280-L284 PolarHBondContact O-N 3.21Å; A280-F302 HydrophobicContact CB-CE2 3.95Å; A280-F302 HydrophobicContact CB-CZ 3.98Å; A280-A305 HydrophobicContact CB-CB 4.07Å
281T98.4Very high96.7Very high0 Ų023.7 Ų23.70%013%0.126CC..Hα-helixtrans-68.6-42177.2-58.10000112.2E277 L278 D279 L284 N285 A334 N335 A338 F343 M347E277-T281 PolarHBondContact O-N 3.19Å; E277-T281 PolarHBondContact O-OG1 3.32Å; E277-T281 VanDerWaalsContact O-OG1 3.04Å; L278-T281 PolarHBondContact O-N 3.22Å; D279-T281 VanDerWaalsContact C-N 3.29Å; D279-T281 PolarHBondContact O-N 2.81Å; T281-L284 PolarHBondContact O-N 3.3Å; T281-N285 VanDerWaalsContact O-CB 3.3Å; T281-N285 WeakPolarHBondContact O-CB 3.09Å; T281-N285 PolarHBondContact O-N 3.24Å; T281-A334 HydrophobicContact CG2-CB 4.29Å; T281-N335 PolarHBondContact OG1-OD1 2.72Å; T281-A338 HydrophobicContact CG2-CB 3.68Å; T281-A338 WeakPolarHBondContact O-CB 3.26Å; T281-F343 HydrophobicContact CG2-CB 4.45Å; T281-F343 HydrophobicContact CG2-CD1 3.63Å; T281-F343 HydrophobicContact CG2-CD2 3.97Å; T281-F343 HydrophobicContact CG2-CE1 3.7Å; T281-F343 HydrophobicContact CG2-CE2 4.06Å; T281-F343 HydrophobicContact CG2-CG 3.76Å; T281-F343 HydrophobicContact CG2-CZ 3.92Å; T281-M347 HydrophobicContact CG2-CE 3.94Å; T281-M347 WeakPolarHBondContact OG1-CE 3.45Å
282K97.8Very high96.5Very high68 Ų6825.7 Ų25.730%0.29615%0.148SC..Hα-helixtrans-62.6-47.4176.1-78.5175.1176.8166.20111.5P246 L278 D279 L284 N285 E286 F343P246-K282 HydrophobicContact CB-CB 4.32Å; P246-K282 HydrophobicContact CG-CB 4.22Å; L278-K282 HydrophobicContact CD1-CD 4.38Å; L278-K282 HydrophobicContact CD1-CG 4.26Å; L278-K282 HydrophobicContact CD2-CD 4.39Å; L278-K282 HydrophobicContact CG-CD 3.96Å; L278-K282 HydrophobicContact CG-CG 4.29Å; L278-K282 WeakPolarHBondContact O-CB 3.48Å; L278-K282 WeakPolarHBondContact O-CG 3.37Å; L278-K282 PolarHBondContact O-N 2.85Å; D279-K282 PolarHBondContact O-N 2.77Å; K282-L284 PolarHBondContact O-N 3.05Å; K282-N285 WeakPolarHBondContact O-CB 3.45Å; K282-N285 PolarHBondContact O-N 3.13Å; K282-E286 WeakPolarHBondContact O-CG 3.32Å; K282-E286 PolarHBondContact O-N 3.39Å; K282-F343 HydrophobicContact CG-CE1 4.28Å
283N98.6Very high96.4Very high7 Ų730.2 Ų30.24%0.03718%0.177CC..Hα-helixtrans-61-45.9177.8-76.9-46.3000111.2M233 P246 N249 Q275 D279 N285 E286 I287M233-N283 HydrophobicContact CE-CB 4.46Å; M233-N283 HydrophobicContact SD-CB 3.57Å; M233-N283 VanDerWaalsContact SD-CB 3.57Å; P246-N283 VanDerWaalsContact CA-OD1 3.26Å; P246-N283 WeakPolarHBondContact CA-OD1 3.41Å; N249-N283 WeakPolarHBondContact CB-OD1 3Å; N249-N283 PolarHBondContact ND2-OD1 3.08Å; N249-N283 VanDerWaalsContact ND2-OD1 3.08Å; Q275-N283 PolarHBondContact OE1-ND2 2.73Å; D279-N283 WeakPolarHBondContact O-CB 3.29Å; D279-N283 PolarHBondContact O-N 3.25Å; D279-N283 PolarHBondContact O-ND2 2.95Å; D279-N283 VanDerWaalsContact O-ND2 3.12Å; N283-N285 VanDerWaalsContact C-N 3.31Å; N283-N285 PolarHBondContact O-N 3.06Å; N283-E286 PolarHBondContact O-N 2.78Å; N283-I287 WeakPolarHBondContact O-CB 3.43Å; N283-I287 VanDerWaalsContact O-CG1 3.24Å; N283-I287 WeakPolarHBondContact O-CG1 3.42Å; N283-I287 PolarHBondContact O-N 2.72Å
284L98.8Very high96.7Very high0 Ų032.5 Ų32.50%019%0.185CC..Hα-helixtrans-59.4-41175.6178.965.5000112.8M233 F270 A280 T281 K282 I287 N288 F300 A338 A339M233-L284 HydrophobicContact SD-CB 4.5Å; F270-L284 HydrophobicContact CD2-CD1 3.81Å; F270-L284 HydrophobicContact CE2-CD1 4.29Å; A280-L284 WeakPolarHBondContact O-CB 3.29Å; A280-L284 PolarHBondContact O-N 3.21Å; T281-L284 PolarHBondContact O-N 3.3Å; K282-L284 PolarHBondContact O-N 3.05Å; L284-I287 WeakPolarHBondContact O-CB 3.27Å; L284-I287 PolarHBondContact O-N 3.25Å; L284-N288 PolarHBondContact O-N 2.74Å; L284-N288 VanDerWaalsContact O-N 3.17Å; L284-N288 PolarHBondContact O-ND2 3.05Å; L284-F300 HydrophobicContact CD2-CB 3.92Å; L284-F300 HydrophobicContact CD2-CD1 3.77Å; L284-F300 HydrophobicContact CD2-CG 4.26Å; L284-A338 HydrophobicContact CB-CB 4.23Å; L284-A338 HydrophobicContact CD2-CB 3.95Å; L284-A338 HydrophobicContact CG-CB 4.09Å; L284-A339 HydrophobicContact CD2-CB 4.4Å
285N98.7Very high97.1Very high4 Ų436.1 Ų36.12%0.02121%0.208CC..Hα-helixtrans-63.4-47.4178.5-175.367.5000111.7T281 K282 N283 I287 N288 K289 A338 G341 K342 F343T281-N285 VanDerWaalsContact O-CB 3.3Å; T281-N285 WeakPolarHBondContact O-CB 3.09Å; T281-N285 PolarHBondContact O-N 3.24Å; K282-N285 WeakPolarHBondContact O-CB 3.45Å; K282-N285 PolarHBondContact O-N 3.13Å; N283-N285 VanDerWaalsContact C-N 3.31Å; N283-N285 PolarHBondContact O-N 3.06Å; N285-I287 VanDerWaalsContact C-N 3.34Å; N285-I287 PolarHBondContact O-N 2.93Å; N285-N288 PolarHBondContact O-N 2.7Å; N285-K289 WeakPolarHBondContact ND2-CE 3.25Å; N285-K289 PolarHBondContact ND2-NZ 3.11Å; N285-K289 WeakPolarHBondContact O-CG 3.43Å; N285-K289 PolarHBondContact O-N 2.52Å; N285-K289 VanDerWaalsContact O-N 3.14Å; N285-A338 WeakPolarHBondContact CA-O 3.42Å; N285-A338 HydrophobicContact CB-CB 3.83Å; N285-G341 VanDerWaalsContact OD1-CA 3.29Å; N285-G341 WeakPolarHBondContact OD1-CA 3.3Å; N285-G341 PolarHBondContact OD1-O 3.03Å; N285-K342 PolarHBondContact OD1-N 3.22Å; N285-F343 HydrophobicContact CB-CB 4.06Å; N285-F343 PolarHBondContact ND2-O 3.27Å; N285-F343 WeakPolarHBondContact OD1-CB 3.46Å; N285-F343 PolarHBondContact OD1-N 2.71Å
286E98.7Very high97.3Very high29 Ų2936.2 Ų36.214%0.13621%0.208CC..Hα-helixtrans-68.4-33.7179.1-62.2-50.4118.300111.8P246 Q247 A250 K282 N283 N288 K289 I290P246-E286 HydrophobicContact CB-CB 4.43Å; P246-E286 HydrophobicContact CB-CG 3.84Å; Q247-E286 HydrophobicContact CG-CG 4.26Å; Q247-E286 WeakPolarHBondContact CG-OE2 3.41Å; Q247-E286 PolarHBondContact NE2-OE2 3.29Å; A250-E286 HydrophobicContact CB-CB 3.66Å; K282-E286 WeakPolarHBondContact O-CG 3.32Å; K282-E286 PolarHBondContact O-N 3.39Å; N283-E286 PolarHBondContact O-N 2.78Å; E286-N288 VanDerWaalsContact C-N 3.29Å; E286-N288 PolarHBondContact O-N 3.09Å; E286-K289 PolarHBondContact O-N 3.37Å; E286-K289 VanDerWaalsContact O-N 3.11Å; E286-K289 WeakPolarHBondContact OE1-CD 3.23Å; E286-K289 IonicContact OE1-NZ 2.61Å; E286-K289 PolarHBondContact OE1-NZ 3.1Å; E286-I290 WeakPolarHBondContact O-CG1 3.19Å; E286-I290 PolarHBondContact O-N 2.94Å
287I98.9Very high97.5Very high0 Ų037.8 Ų37.80%022%0.22CC..Hα-helixtrans-54.8-46.5170.7-75.4164.5000110.7M233 A250 T253 V254 F270 N283 L284 N285 K289 I290 L298M233-I287 HydrophobicContact CB-CD1 4.32Å; M233-I287 HydrophobicContact CG-CD1 3.64Å; M233-I287 HydrophobicContact SD-CD1 3.76Å; A250-I287 HydrophobicContact CB-CB 4.4Å; A250-I287 HydrophobicContact CB-CG1 3.81Å; A250-I287 VanDerWaalsContact CB-N 3.3Å; T253-I287 HydrophobicContact CG2-CD1 3.8Å; T253-I287 HydrophobicContact CG2-CG1 4.25Å; V254-I287 HydrophobicContact CG2-CG2 4Å; F270-I287 HydrophobicContact CD2-CD1 4.49Å; F270-I287 HydrophobicContact CE1-CD1 4.44Å; F270-I287 HydrophobicContact CE2-CD1 4.11Å; F270-I287 HydrophobicContact CE2-CG2 3.96Å; F270-I287 HydrophobicContact CZ-CD1 4.07Å; F270-I287 HydrophobicContact CZ-CG2 4.12Å; N283-I287 WeakPolarHBondContact O-CB 3.43Å; N283-I287 VanDerWaalsContact O-CG1 3.24Å; N283-I287 WeakPolarHBondContact O-CG1 3.42Å; N283-I287 PolarHBondContact O-N 2.72Å; L284-I287 WeakPolarHBondContact O-CB 3.27Å; L284-I287 PolarHBondContact O-N 3.25Å; N285-I287 VanDerWaalsContact C-N 3.34Å; N285-I287 PolarHBondContact O-N 2.93Å; I287-K289 VanDerWaalsContact C-N 3.28Å; I287-K289 PolarHBondContact O-N 3.04Å; I287-I290 PolarHBondContact O-N 2.96Å; I287-L298 HydrophobicContact CG2-CB 4.23Å; I287-L298 HydrophobicContact CG2-CD1 3.64Å; I287-L298 HydrophobicContact CG2-CG 4.47Å
288N98.7Very high97.6Very high33 Ų3338 Ų3818%0.17622%0.222CC..Hα-helixtrans-71.3-22.3-179.7-83.5-73.3000113.6L284 N285 E286 L298 A338 A339L284-N288 PolarHBondContact O-N 2.74Å; L284-N288 VanDerWaalsContact O-N 3.17Å; L284-N288 PolarHBondContact O-ND2 3.05Å; N285-N288 PolarHBondContact O-N 2.7Å; E286-N288 VanDerWaalsContact C-N 3.29Å; E286-N288 PolarHBondContact O-N 3.09Å; N288-L298 PolarHBondContact ND2-O 3.12Å; N288-L298 PolarHBondContact OD1-O 3.21Å; N288-A338 PolarHBondContact ND2-O 2.61Å; N288-A339 PolarHBondContact OD1-O 3.49Å
289K98.4Very high97.7Very high101 Ų10137.7 Ų37.744%0.43922%0.22SC..Hα-helixtrans-83.6-16.2175.7-71.2175.5-179.5172.90114.5N285 E286 I287 G341N285-K289 WeakPolarHBondContact ND2-CE 3.25Å; N285-K289 PolarHBondContact ND2-NZ 3.11Å; N285-K289 WeakPolarHBondContact O-CG 3.43Å; N285-K289 PolarHBondContact O-N 2.52Å; N285-K289 VanDerWaalsContact O-N 3.14Å; E286-K289 PolarHBondContact O-N 3.37Å; E286-K289 VanDerWaalsContact O-N 3.11Å; E286-K289 WeakPolarHBondContact OE1-CD 3.23Å; E286-K289 IonicContact OE1-NZ 2.61Å; E286-K289 PolarHBondContact OE1-NZ 3.1Å; I287-K289 VanDerWaalsContact C-N 3.28Å; I287-K289 PolarHBondContact O-N 3.04Å; K289-G341 WeakPolarHBondContact CE-O 3.34Å
290I98.4Very high97.9Very high23 Ų2334.5 Ų34.512%0.11820%0.203CC..  trans-57.5125.1179.8-63.7-56.4000110A250 L251 V254 E286 I287 K294A250-I290 HydrophobicContact CB-CD1 3.98Å; A250-I290 HydrophobicContact CB-CG1 3.98Å; L251-I290 HydrophobicContact CB-CD1 4.23Å; V254-I290 HydrophobicContact CB-CB 4.4Å; V254-I290 HydrophobicContact CB-CG1 4.4Å; V254-I290 HydrophobicContact CB-CG2 4.08Å; V254-I290 HydrophobicContact CG1-CB 4.44Å; V254-I290 HydrophobicContact CG1-CG2 3.85Å; V254-I290 HydrophobicContact CG2-CB 3.98Å; V254-I290 HydrophobicContact CG2-CG1 3.9Å; V254-I290 HydrophobicContact CG2-CG2 4.22Å; E286-I290 WeakPolarHBondContact O-CG1 3.19Å; E286-I290 PolarHBondContact O-N 2.94Å; I287-I290 PolarHBondContact O-N 2.96Å; I290-K294 WeakPolarHBondContact O-CE 3.41Å; I290-K294 PolarHBondContact O-NZ 3.35Å
291P96.1Very high97.9Very high112 Ų11234.6 Ų34.673%0.72720%0.204SC*.  trans-70.4159177.729.6-35.3000111.8
292G94.3Very high97.9Very high49 Ų4934.6 Ų34.651%0.50520%0.204SC..SBendtrans103.1179.4177.400000114.4K294G292-K294 PolarHBondContact O-N 3.46Å; G292-K294 PolarHBondContact O-NZ 3.37Å
293P94Very high97.8Very high100 Ų10031.7 Ų31.765%0.64919%0.194SC*.  trans-66.9122-171.226.9-33.9000110.9Q258Q258-P293 PolarHBondContact NE2-O 2.78Å
294K97Very high97.7Very high59 Ų5933 Ų3326%0.25720%0.198SC..  trans-13682.3173.3-61-178.8-49.1-66.10106.2V254 I290 G292 W296 L298V254-K294 HydrophobicContact CG1-CD 4.13Å; V254-K294 HydrophobicContact CG1-CG 4.23Å; V254-K294 HydrophobicContact CG2-CD 4.24Å; I290-K294 WeakPolarHBondContact O-CE 3.41Å; I290-K294 PolarHBondContact O-NZ 3.35Å; G292-K294 PolarHBondContact O-N 3.46Å; G292-K294 PolarHBondContact O-NZ 3.37Å; K294-W296 PolarHBondContact O-N 3.3Å; K294-L298 HydrophobicContact CB-CD1 4.27Å; K294-L298 HydrophobicContact CD-CD1 3.65Å; K294-L298 HydrophobicContact CG-CD1 4.29Å
295P97.5Very high97.5Very high76 Ų7633 Ų3349%0.49420%0.198SC..  trans-70.6-7.4-173.929.8-34.8000112.9P263P263-P295 HydrophobicContact CB-CB 4.05Å; P263-P295 HydrophobicContact CB-CG 3.75Å
296W98.5Very high97.4Very high18 Ų1832.8 Ų32.87%0.06820%0.197CC..SBendtrans-95.8147.8178-43.6-71.5000111.3L257 Q258 V261 P262 I268 K294 L298L257-W296 HydrophobicContact CB-CE3 4.43Å; L257-W296 HydrophobicContact CB-CZ3 3.92Å; Q258-W296 HydrophobicContact CG-CZ3 4.47Å; V261-W296 HydrophobicContact CB-CH2 4.02Å; V261-W296 HydrophobicContact CB-CZ2 3.69Å; V261-W296 HydrophobicContact CG1-CD2 4.26Å; V261-W296 HydrophobicContact CG1-CZ2 3.77Å; V261-W296 WeakPolarHBondContact O-CZ2 3.3Å; P262-W296 PolarHBondContact O-NE1 2.97Å; I268-W296 HydrophobicContact CD1-CB 4.33Å; I268-W296 HydrophobicContact CD1-CG 4.1Å; I268-W296 HydrophobicContact CG1-CB 3.86Å; I268-W296 HydrophobicContact CG1-CD2 4.46Å; I268-W296 HydrophobicContact CG1-CG 4.05Å; K294-W296 PolarHBondContact O-N 3.3Å; W296-L298 HydrophobicContact CB-CD2 4.2Å
297A98.6Very high97.4Very high33 Ų3331.5 Ų31.527%0.27319%0.191SC..EExtended strand (participates in β ladder)trans-63.5133.5155.100000109.7C24 P266 G267 I268C24-A297 HydrophobicContact CB-CB 3.7Å; P266-A297 PolarHBondContact O-N 2.99Å; G267-A297 CarbonylContact C-O 3.59Å; G267-A297 VanDerWaalsContact CA-O 3.26Å; G267-A297 WeakPolarHBondContact CA-O 3.06Å; I268-A297 PolarHBondContact N-O 3.4Å
298L98.9Very high97.3Very high7 Ų732.4 Ų32.44%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-11598.5179.1-62.3-179.3000109.2L257 I268 F270 I287 N288 K294 W296L257-L298 HydrophobicContact CD1-CD2 3.98Å; I268-L298 HydrophobicContact CB-CD2 3.73Å; I268-L298 HydrophobicContact CG1-CD2 3.58Å; F270-L298 HydrophobicContact CE2-CB 4.19Å; F270-L298 HydrophobicContact CE2-CD2 4.23Å; F270-L298 HydrophobicContact CZ-CD2 4.27Å; I287-L298 HydrophobicContact CG2-CB 4.23Å; I287-L298 HydrophobicContact CG2-CD1 3.64Å; I287-L298 HydrophobicContact CG2-CG 4.47Å; N288-L298 PolarHBondContact ND2-O 3.12Å; N288-L298 PolarHBondContact OD1-O 3.21Å; K294-L298 HydrophobicContact CB-CD1 4.27Å; K294-L298 HydrophobicContact CD-CD1 3.65Å; K294-L298 HydrophobicContact CG-CD1 4.29Å; W296-L298 HydrophobicContact CB-CD2 4.2Å
299T98.8Very high97.2Very high6 Ų630.8 Ų30.84%0.03719%0.19CC..EExtended strand (participates in β ladder)trans-134.5-170-173.3-166.80000111.5K28 G29 I268 T269 F270K28-T299 WeakPolarHBondContact O-CB 3.38Å; K28-T299 PolarHBondContact O-OG1 2.86Å; G29-T299 WeakPolarHBondContact CA-OG1 3.41Å; I268-T299 PolarHBondContact O-N 2.91Å; T269-T299 CarbonylContact C-O 3.56Å; T269-T299 WeakPolarHBondContact CA-O 3.07Å; T269-T299 HydrophobicContact CG2-CG2 3.79Å; F270-T299 VanDerWaalsContact CD2-O 3.22Å; F270-T299 WeakPolarHBondContact CD2-O 3.16Å; F270-T299 PolarHBondContact N-O 3.31Å
300F98.9Very high97.2Very high0 Ų026 Ų260%017%0.169CC..EExtended strand (participates in β ladder)trans-110.2151.7-173.256.2-81.2000113G29 I30 N73 I74 L284 F302 L306 N335 A339G29-F300 CarbonylContact C-O 3.4Å; G29-F300 WeakPolarHBondContact CA-O 3.3Å; I30-F300 PolarHBondContact N-O 2.88Å; N73-F300 WeakPolarHBondContact O-CZ 3.4Å; I74-F300 HydrophobicContact CD1-CE2 3.67Å; I74-F300 HydrophobicContact CD1-CZ 4.09Å; L284-F300 HydrophobicContact CD2-CB 3.92Å; L284-F300 HydrophobicContact CD2-CD1 3.77Å; L284-F300 HydrophobicContact CD2-CG 4.26Å; F300-F302 HydrophobicContact CB-CD1 3.85Å; F300-F302 HydrophobicContact CB-CD2 3.85Å; F300-F302 HydrophobicContact CB-CE1 3.7Å; F300-F302 HydrophobicContact CB-CE2 3.7Å; F300-F302 HydrophobicContact CB-CG 3.93Å; F300-F302 HydrophobicContact CB-CZ 3.62Å; F300-F302 HydrophobicContact CD2-CD2 4.25Å; F300-F302 HydrophobicContact CD2-CG 4.41Å; F300-F302 HydrophobicContact CG-CD2 4.31Å; F300-F302 HydrophobicContact CG-CE2 4.38Å; F300-L306 HydrophobicContact CD2-CD1 4Å; F300-L306 HydrophobicContact CE2-CD1 3.86Å; F300-L306 HydrophobicContact CE2-CD2 4.5Å; F300-N335 HydrophobicContact CD1-CB 3.77Å; F300-N335 HydrophobicContact CD2-CB 4.15Å; F300-N335 HydrophobicContact CE1-CB 3.54Å; F300-N335 WeakPolarHBondContact CE1-O 3.47Å; F300-N335 HydrophobicContact CE2-CB 3.93Å; F300-N335 HydrophobicContact CG-CB 4.07Å; F300-N335 HydrophobicContact CZ-CB 3.6Å; F300-A339 HydrophobicContact CD1-CB 4.28Å; F300-A339 HydrophobicContact CE1-CB 4.29Å
301S98.8Very high97.2Very high1 Ų125.2 Ų25.21%0.00717%0.165CC..EExtended strand (participates in β ladder)trans-135.283.5160.8-176.50000108.8I30 K230 T269 F270I30-S301 CarbonylContact O-C 3.47Å; I30-S301 VanDerWaalsContact O-CA 3.32Å; I30-S301 WeakPolarHBondContact O-CA 3.47Å; K230-S301 VanDerWaalsContact CE-O 3.28Å; K230-S301 WeakPolarHBondContact CE-O 3.44Å; K230-S301 WeakPolarHBondContact CE-OG 3.43Å; K230-S301 PolarHBondContact NZ-O 3.03Å; K230-S301 VanDerWaalsContact NZ-O 3.16Å; K230-S301 PolarHBondContact NZ-OG 3.27Å; T269-S301 WeakPolarHBondContact O-CB 3.3Å; F270-S301 CarbonylContact O-C 3.35Å; F270-S301 PolarHBondContact O-N 2.82Å
302F98.5Very high97.2Very high0 Ų021.1 Ų21.10%014%0.14CC..EExtended strand (participates in β ladder)trans-104.1134-168.7-68.7-11.4000111.6I30 A32 M233 F270 A280 F300 A305 L306 N335I30-F302 PolarHBondContact O-N 3.19Å; A32-F302 PolarHBondContact N-O 3.27Å; M233-F302 HydrophobicContact CE-CE1 4.11Å; M233-F302 HydrophobicContact CE-CZ 3.98Å; F270-F302 HydrophobicContact CB-CE1 4.44Å; F270-F302 WeakPolarHBondContact O-CD1 3.34Å; F270-F302 WeakPolarHBondContact O-CE1 3.32Å; A280-F302 HydrophobicContact CB-CE2 3.95Å; A280-F302 HydrophobicContact CB-CZ 3.98Å; F300-F302 HydrophobicContact CB-CD1 3.85Å; F300-F302 HydrophobicContact CB-CD2 3.85Å; F300-F302 HydrophobicContact CB-CE1 3.7Å; F300-F302 HydrophobicContact CB-CE2 3.7Å; F300-F302 HydrophobicContact CB-CG 3.93Å; F300-F302 HydrophobicContact CB-CZ 3.62Å; F300-F302 HydrophobicContact CD2-CD2 4.25Å; F300-F302 HydrophobicContact CD2-CG 4.41Å; F300-F302 HydrophobicContact CG-CD2 4.31Å; F300-F302 HydrophobicContact CG-CE2 4.38Å; F302-A305 HydrophobicContact CB-CB 4.2Å; F302-A305 HydrophobicContact CD2-CB 3.89Å; F302-A305 HydrophobicContact CG-CB 4.11Å; F302-L306 HydrophobicContact CB-CB 4.38Å; F302-L306 HydrophobicContact CB-CD1 3.85Å; F302-L306 HydrophobicContact CB-CG 3.75Å; F302-L306 HydrophobicContact CD2-CG 4.48Å; F302-N335 VanDerWaalsContact CE2-OD1 3.32Å; F302-N335 WeakPolarHBondContact CE2-OD1 3.36Å
303G95.9Very high97.4Very high8 Ų819.9 Ų19.98%0.08212%0.123CC..SBendtrans-95.3-86.516700000109.6A32 A305 L306 Q307A32-G303 VanDerWaalsContact O-CA 3.31Å; A32-G303 WeakPolarHBondContact O-CA 3.46Å; G303-A305 VanDerWaalsContact C-N 3.32Å; G303-A305 PolarHBondContact O-N 3.41Å; G303-L306 PolarHBondContact O-N 2.85Å; G303-Q307 WeakPolarHBondContact O-CB 3.44Å; G303-Q307 WeakPolarHBondContact O-CG 3.31Å; G303-Q307 PolarHBondContact O-N 3.2Å
304R94.6Very high97.6Very high34 Ų3415.5 Ų15.513%0.1289%0.093CC..Hα-helixtrans-49.3-47.1-179.5-73.1177-76.9-179.6-7.1113.3L306 Q307 A308 L356 H361R304-L306 PolarHBondContact O-N 3.22Å; R304-L306 VanDerWaalsContact O-N 3.17Å; R304-Q307 PolarHBondContact O-N 2.77Å; R304-Q307 VanDerWaalsContact O-N 3.08Å; R304-A308 WeakPolarHBondContact O-CB 3.19Å; R304-A308 PolarHBondContact O-N 3.07Å; R304-L356 HydrophobicContact CB-CB 4.39Å; R304-L356 HydrophobicContact CB-CD1 4.01Å; R304-L356 PolarHBondContact NH1-O 2.95Å; R304-H361 PolarHBondContact NH2-CD2 3.19Å; R304-H361 VanDerWaalsContact NH2-CD2 3.33Å
305A95.5Very high97.6Very high0 Ų018.5 Ų18.50%011%0.107CC..Hα-helixtrans-72.2-3.8-176.800000115.4S272 A280 F302 G303S272-A305 VanDerWaalsContact CB-CB 3.47Å; A280-A305 HydrophobicContact CB-CB 4.07Å; F302-A305 HydrophobicContact CB-CB 4.2Å; F302-A305 HydrophobicContact CD2-CB 3.89Å; F302-A305 HydrophobicContact CG-CB 4.11Å; G303-A305 VanDerWaalsContact C-N 3.32Å; G303-A305 PolarHBondContact O-N 3.41Å
306L97.7Very high97.6Very high0 Ų016.3 Ų16.30%010%0.098CC..Hα-helixtrans-112.2-4.8169.1-77.2174.1000112.8L31 I74 F300 F302 G303 R304 V310 L328 L331 N335L31-L306 HydrophobicContact CB-CD1 4.27Å; L31-L306 HydrophobicContact CD1-CB 3.74Å; L31-L306 HydrophobicContact CD1-CD1 3.96Å; I74-L306 HydrophobicContact CD1-CD1 4.05Å; F300-L306 HydrophobicContact CD2-CD1 4Å; F300-L306 HydrophobicContact CE2-CD1 3.86Å; F300-L306 HydrophobicContact CE2-CD2 4.5Å; F302-L306 HydrophobicContact CB-CB 4.38Å; F302-L306 HydrophobicContact CB-CD1 3.85Å; F302-L306 HydrophobicContact CB-CG 3.75Å; F302-L306 HydrophobicContact CD2-CG 4.48Å; G303-L306 PolarHBondContact O-N 2.85Å; R304-L306 PolarHBondContact O-N 3.22Å; R304-L306 VanDerWaalsContact O-N 3.17Å; L306-V310 WeakPolarHBondContact O-CG2 3.42Å; L306-L328 WeakPolarHBondContact O-CD1 3.32Å; L306-L331 HydrophobicContact CD2-CB 3.8Å; L306-L331 WeakPolarHBondContact O-CD1 3.42Å; L306-N335 WeakPolarHBondContact CD2-ND2 3.26Å
307Q97.8Very high97.5Very high1 Ų120.4 Ų20.41%0.00512%0.116CC..Hα-helixtrans-127.1-21.2-167-72.8-17251.900114L31 A32 E35 Y59 L63 G303 R304 V310 L311L31-Q307 HydrophobicContact CD1-CG 3.9Å; A32-Q307 PolarHBondContact O-NE2 2.87Å; E35-Q307 PolarHBondContact OE1-NE2 2.79Å; Y59-Q307 WeakPolarHBondContact OH-CB 3.38Å; Y59-Q307 PolarHBondContact OH-O 2.87Å; Y59-Q307 PolarHBondContact OH-OE1 3.37Å; L63-Q307 HydrophobicContact CD1-CG 4.46Å; L63-Q307 HydrophobicContact CD2-CG 4.48Å; G303-Q307 WeakPolarHBondContact O-CB 3.44Å; G303-Q307 WeakPolarHBondContact O-CG 3.31Å; G303-Q307 PolarHBondContact O-N 3.2Å; R304-Q307 PolarHBondContact O-N 2.77Å; R304-Q307 VanDerWaalsContact O-N 3.08Å; Q307-V310 WeakPolarHBondContact O-CB 3.48Å; Q307-V310 PolarHBondContact O-N 3.18Å; Q307-L311 WeakPolarHBondContact O-CB 3.43Å; Q307-L311 PolarHBondContact O-N 3.11Å
308A96.2Very high97.4Very high19 Ų1927.5 Ų27.516%0.15714%0.141CC..Hα-helixtrans-66.1-47.8-171.300000111.6R304 V310 L311 A312 L351 L356R304-A308 WeakPolarHBondContact O-CB 3.19Å; R304-A308 PolarHBondContact O-N 3.07Å; A308-V310 VanDerWaalsContact C-N 3.32Å; A308-V310 PolarHBondContact O-N 3.06Å; A308-L311 PolarHBondContact O-N 3.18Å; A308-A312 WeakPolarHBondContact O-CB 3.47Å; A308-A312 PolarHBondContact O-N 3.41Å; A308-L351 VanDerWaalsContact C-CD1 3.43Å; A308-L351 HydrophobicContact CB-CD1 3.54Å; A308-L351 WeakPolarHBondContact O-CD1 3.47Å; A308-L356 HydrophobicContact CB-CD1 3.91Å; A308-L356 HydrophobicContact CB-CD2 3.6Å; A308-L356 HydrophobicContact CB-CG 4.44Å
309S97.2Very high97.4Very high0 Ų033.8 Ų33.80%017%0.17CC..Hα-helixtrans-65-34.9173.4-70.70000112.9E277 A312 T313 T350 L351E277-S309 WeakPolarHBondContact OE1-CB 3.28Å; E277-S309 PolarHBondContact OE1-N 2.96Å; E277-S309 PolarHBondContact OE1-OG 3.47Å; E277-S309 VanDerWaalsContact OE1-OG 3.09Å; E277-S309 WeakPolarHBondContact OE2-CB 3.45Å; E277-S309 PolarHBondContact OE2-OG 2.89Å; S309-A312 PolarHBondContact O-N 3.38Å; S309-T313 VanDerWaalsContact O-CB 3.29Å; S309-T313 WeakPolarHBondContact O-CB 3.37Å; S309-T313 PolarHBondContact O-N 2.74Å; S309-T313 PolarHBondContact O-OG1 2.89Å; S309-T350 PolarHBondContact OG-N 2.65Å; S309-L351 WeakPolarHBondContact OG-CB 3.23Å; S309-L351 PolarHBondContact OG-N 2.81Å
310V98.5Very high97.4Very high0 Ų035.5 Ų35.50%018%0.179CC..Hα-helixtrans-60.5-51175.9-176.30000110.3Y59 L62 L63 L306 Q307 A308 T313 W314 A324 E327 L328 L331Y59-V310 HydrophobicContact CE2-CG1 4.17Å; L62-V310 HydrophobicContact CD2-CG1 3.65Å; L63-V310 HydrophobicContact CD2-CG1 3.81Å; L306-V310 WeakPolarHBondContact O-CG2 3.42Å; Q307-V310 WeakPolarHBondContact O-CB 3.48Å; Q307-V310 PolarHBondContact O-N 3.18Å; A308-V310 VanDerWaalsContact C-N 3.32Å; A308-V310 PolarHBondContact O-N 3.06Å; V310-T313 PolarHBondContact O-N 2.87Å; V310-W314 WeakPolarHBondContact O-CB 3.28Å; V310-W314 PolarHBondContact O-N 2.9Å; V310-A324 HydrophobicContact CG1-CB 3.98Å; V310-A324 WeakPolarHBondContact O-CB 3.48Å; V310-E327 HydrophobicContact CG2-CB 4.26Å; V310-L328 HydrophobicContact CG2-CB 3.74Å; V310-L328 HydrophobicContact CG2-CD1 4.33Å; V310-L331 HydrophobicContact CG2-CD1 4.07Å
311L97.5Very high97.3Very high7 Ų737.4 Ų37.44%0.03719%0.191CC..Hα-helixtrans-63.7-45.7180-170.872.1000111.7M40 R43 L44 I47 Y59 Q307 A308 T313 W314 K315M40-L311 HydrophobicContact CE-CD1 4.12Å; R43-L311 HydrophobicContact CB-CD2 3.71Å; R43-L311 HydrophobicContact CG-CD2 4.45Å; R43-L311 WeakPolarHBondContact O-CD2 3.46Å; L44-L311 HydrophobicContact CD2-CD1 4.44Å; I47-L311 HydrophobicContact CD1-CD1 3.58Å; I47-L311 HydrophobicContact CD1-CG 3.87Å; I47-L311 HydrophobicContact CG1-CD1 4.37Å; I47-L311 HydrophobicContact CG1-CG 4.32Å; I47-L311 HydrophobicContact CG2-CG 4.11Å; Y59-L311 HydrophobicContact CD2-CD1 4.02Å; Y59-L311 HydrophobicContact CE1-CD1 4.3Å; Y59-L311 HydrophobicContact CE2-CB 4.25Å; Y59-L311 HydrophobicContact CE2-CD1 3.66Å; Y59-L311 HydrophobicContact CG-CD1 4.48Å; Q307-L311 WeakPolarHBondContact O-CB 3.43Å; Q307-L311 PolarHBondContact O-N 3.11Å; A308-L311 PolarHBondContact O-N 3.18Å; L311-T313 PolarHBondContact O-N 3.3Å; L311-W314 HydrophobicContact CD1-CE3 4.03Å; L311-W314 HydrophobicContact CD1-CZ3 4.31Å; L311-W314 PolarHBondContact O-N 3.38Å; L311-K315 PolarHBondContact O-N 3.45Å
312A96.5Very high97.3Very high25 Ų2543.4 Ų43.421%0.20722%0.218CC..Hα-helixtrans-62.8-30.2178.400000113A308 S309 K315 L351A308-A312 WeakPolarHBondContact O-CB 3.47Å; A308-A312 PolarHBondContact O-N 3.41Å; S309-A312 PolarHBondContact O-N 3.38Å; A312-K315 WeakPolarHBondContact O-CE 3.17Å; A312-K315 WeakPolarHBondContact O-CG 3.39Å; A312-L351 HydrophobicContact CB-CD1 4.21Å; A312-L351 HydrophobicContact CB-CD2 4.29Å; A312-L351 HydrophobicContact CB-CG 4.21Å
313T98Very high97.3Very high24 Ų2445.6 Ų45.615%0.14724%0.236CC..Hα-helixtrans-80.7-42.9176-59.50000111.5S309 V310 L311 N320 A323 A324 E327 T350S309-T313 VanDerWaalsContact O-CB 3.29Å; S309-T313 WeakPolarHBondContact O-CB 3.37Å; S309-T313 PolarHBondContact O-N 2.74Å; S309-T313 PolarHBondContact O-OG1 2.89Å; V310-T313 PolarHBondContact O-N 2.87Å; L311-T313 PolarHBondContact O-N 3.3Å; T313-N320 PolarHBondContact O-ND2 3.29Å; T313-A323 HydrophobicContact CG2-CB 3.76Å; T313-A324 HydrophobicContact CG2-CB 4.28Å; T313-E327 HydrophobicContact CG2-CG 4.29Å; T313-T350 PolarHBondContact OG1-OG1 3.33Å
314W98.4Very high97.4Very high7 Ų745.2 Ų45.23%0.02723%0.232CC..Hα-helixtrans-62.1-48.1-179.517748.8000112.5L44 I47 L58 Y59 L62 V310 L311 G316 K317 N320 A324L44-W314 HydrophobicContact CD2-CH2 4.45Å; L44-W314 HydrophobicContact CD2-CZ3 3.83Å; I47-W314 HydrophobicContact CD1-CE3 3.87Å; I47-W314 HydrophobicContact CD1-CZ3 4.14Å; L58-W314 HydrophobicContact CB-CZ2 4.2Å; Y59-W314 HydrophobicContact CD2-CD2 4.09Å; Y59-W314 AromaticContact CD2-CE3 3.45Å; Y59-W314 HydrophobicContact CD2-CE3 3.45Å; Y59-W314 VanDerWaalsContact CD2-CE3 3.45Å; Y59-W314 HydrophobicContact CD2-CH2 4.41Å; Y59-W314 AromaticContact CD2-CZ3 3.64Å; Y59-W314 HydrophobicContact CD2-CZ3 3.64Å; Y59-W314 HydrophobicContact CE2-CE3 4.15Å; Y59-W314 HydrophobicContact CG-CE3 4.22Å; Y59-W314 AromaticContact CG-CZ3 3.93Å; Y59-W314 HydrophobicContact CG-CZ3 3.93Å; L62-W314 HydrophobicContact CD1-CB 3.9Å; L62-W314 HydrophobicContact CD1-CD2 3.95Å; L62-W314 HydrophobicContact CD1-CG 3.43Å; L62-W314 VanDerWaalsContact CD1-CG 3.43Å; V310-W314 WeakPolarHBondContact O-CB 3.28Å; V310-W314 PolarHBondContact O-N 2.9Å; L311-W314 HydrophobicContact CD1-CE3 4.03Å; L311-W314 HydrophobicContact CD1-CZ3 4.31Å; L311-W314 PolarHBondContact O-N 3.38Å; W314-G316 VanDerWaalsContact CE2-CA 3.49Å; W314-G316 PolarHBondContact O-N 2.97Å; W314-K317 VanDerWaalsContact CD1-O 3.3Å; W314-K317 PolarHBondContact NE1-O 3.47Å; W314-K317 PolarHBondContact O-N 3.02Å; W314-N320 VanDerWaalsContact O-CB 3.32Å; W314-N320 WeakPolarHBondContact O-CB 3.48Å; W314-N320 PolarHBondContact O-ND2 2.76Å; W314-N320 VanDerWaalsContact O-ND2 3.11Å; W314-A324 HydrophobicContact CB-CB 3.76Å
315K96.8Very high97.6Very high123 Ų12344.8 Ų44.854%0.53523%0.232SC..THydrogen-bonded Turntrans5421.8-179-55.2-178.8179.1175.10114.9L311 A312 K317L311-K315 PolarHBondContact O-N 3.45Å; A312-K315 WeakPolarHBondContact O-CE 3.17Å; A312-K315 WeakPolarHBondContact O-CG 3.39Å; K315-K317 VanDerWaalsContact C-N 3.28Å; K315-K317 PolarHBondContact O-N 3.39Å
316G97.1Very high97.7Very high30 Ų3048.5 Ų48.531%0.30925%0.249SC..THydrogen-bonded Turntrans7610.8-176.600000115.2V49 W314V49-G316 VanDerWaalsContact CG2-CA 3.48Å; W314-G316 VanDerWaalsContact CE2-CA 3.49Å; W314-G316 PolarHBondContact O-N 2.97Å
317K97.7Very high97.7Very high103 Ų10349.1 Ų49.145%0.44825%0.252SS..  trans-106.1130.9-170.5-66-172.5176.3-162.40111.6W314 K315 E319 N320W314-K317 VanDerWaalsContact CD1-O 3.3Å; W314-K317 PolarHBondContact NE1-O 3.47Å; W314-K317 PolarHBondContact O-N 3.02Å; K315-K317 VanDerWaalsContact C-N 3.28Å; K315-K317 PolarHBondContact O-N 3.39Å; K317-E319 VanDerWaalsContact C-N 3.28Å; K317-E319 HydrophobicContact CB-CG 4.25Å; K317-E319 PolarHBondContact O-N 3.35Å; K317-N320 HydrophobicContact CB-CB 4.28Å; K317-N320 PolarHBondContact O-N 3.26Å; K317-N320 VanDerWaalsContact O-N 3.08Å
318K96.5Very high97.7Very high182 Ų18249 Ų4979%0.79125%0.252SS*.G310 helixtrans-61.7-38.5-178.4-175.9174.1-179.6173.60111.6N320 V321K318-N320 PolarHBondContact O-N 3.16Å; K318-V321 WeakPolarHBondContact O-CB 3.41Å; K318-V321 VanDerWaalsContact O-CG2 3.22Å; K318-V321 WeakPolarHBondContact O-CG2 3.47Å; K318-V321 PolarHBondContact O-N 2.92Å
319E97.9Very high97.8Very high140 Ų14049.2 Ų49.265%0.65425%0.25SC*.G310 helixtrans-64-19177.263.1-90.3-149.600113.6K317K317-E319 VanDerWaalsContact C-N 3.28Å; K317-E319 HydrophobicContact CB-CG 4.25Å; K317-E319 PolarHBondContact O-N 3.35Å
320N98.5Very high97.8Very high41 Ų4153.3 Ų53.322%0.21927%0.268CS..G310 helixtrans-96.4-0.9-179.8-68.2-17.3000113.8T313 W314 K317 K318 H322 A323 A324T313-N320 PolarHBondContact O-ND2 3.29Å; W314-N320 VanDerWaalsContact O-CB 3.32Å; W314-N320 WeakPolarHBondContact O-CB 3.48Å; W314-N320 PolarHBondContact O-ND2 2.76Å; W314-N320 VanDerWaalsContact O-ND2 3.11Å; K317-N320 HydrophobicContact CB-CB 4.28Å; K317-N320 PolarHBondContact O-N 3.26Å; K317-N320 VanDerWaalsContact O-N 3.08Å; K318-N320 PolarHBondContact O-N 3.16Å; N320-H322 PolarHBondContact O-N 2.95Å; N320-A323 PolarHBondContact O-N 3.05Å; N320-A324 WeakPolarHBondContact O-CB 3.42Å; N320-A324 PolarHBondContact O-N 2.91Å
321V98.5Very high97.8Very high41 Ų4153.3 Ų53.325%0.24827%0.268CS..Hα-helixtrans-54.9-50.7-175.6167.90000111.2L62 K318 A323 A324 Q325L62-V321 HydrophobicContact CD1-CB 4.45Å; L62-V321 HydrophobicContact CD1-CG1 4.44Å; L62-V321 HydrophobicContact CD1-CG2 4.19Å; L62-V321 HydrophobicContact CG-CG1 4.18Å; K318-V321 WeakPolarHBondContact O-CB 3.41Å; K318-V321 VanDerWaalsContact O-CG2 3.22Å; K318-V321 WeakPolarHBondContact O-CG2 3.47Å; K318-V321 PolarHBondContact O-N 2.92Å; V321-A323 PolarHBondContact O-N 3.18Å; V321-A324 PolarHBondContact O-N 3.38Å; V321-Q325 WeakPolarHBondContact O-CG 3.46Å; V321-Q325 PolarHBondContact O-N 2.9Å
322H98.1Very high97.8Very high127 Ų12753 Ų5359%0.58827%0.266SS*.Hα-helixtrans-62.2-44.7-179.7-175.3-73.8000112N320 A324 Q325 E326N320-H322 PolarHBondContact O-N 2.95Å; H322-A324 VanDerWaalsContact C-N 3.3Å; H322-A324 PolarHBondContact O-N 3.22Å; H322-Q325 PolarHBondContact O-N 3.02Å; H322-E326 IonicContact CE1-OE1 3.57Å; H322-E326 WeakPolarHBondContact O-CG 3.45Å; H322-E326 PolarHBondContact O-N 3.39Å
323A98.3Very high97.8Very high46 Ų4659 Ų5938%0.3829%0.288SS..Hα-helixtrans-61.7-39178.700000112T313 N320 V321 E326 E327T313-A323 HydrophobicContact CG2-CB 3.76Å; N320-A323 PolarHBondContact O-N 3.05Å; V321-A323 PolarHBondContact O-N 3.18Å; A323-E326 PolarHBondContact O-N 3.31Å; A323-E327 PolarHBondContact O-N 3.38Å
324A98.6Very high97.8Very high0 Ų058.2 Ų58.20%028%0.284CS..Hα-helixtrans-69.4-37.5176.100000112.5L62 V310 T313 W314 N320 V321 H322 E326 E327 L328L62-A324 HydrophobicContact CD1-CB 3.92Å; L62-A324 HydrophobicContact CD2-CB 4.08Å; L62-A324 HydrophobicContact CG-CB 4.47Å; V310-A324 HydrophobicContact CG1-CB 3.98Å; V310-A324 WeakPolarHBondContact O-CB 3.48Å; T313-A324 HydrophobicContact CG2-CB 4.28Å; W314-A324 HydrophobicContact CB-CB 3.76Å; N320-A324 WeakPolarHBondContact O-CB 3.42Å; N320-A324 PolarHBondContact O-N 2.91Å; V321-A324 PolarHBondContact O-N 3.38Å; H322-A324 VanDerWaalsContact C-N 3.3Å; H322-A324 PolarHBondContact O-N 3.22Å; A324-E326 VanDerWaalsContact C-N 3.32Å; A324-E326 PolarHBondContact O-N 2.98Å; A324-E327 WeakPolarHBondContact O-CB 3.35Å; A324-E327 PolarHBondContact O-N 3.06Å; A324-L328 PolarHBondContact O-N 3.34Å; A324-L328 VanDerWaalsContact O-N 3.15Å
325Q98.6Very high97.8Very high25 Ų2557.9 Ų57.912%0.11728%0.282CS..Hα-helixtrans-62.8-38.6173.9-73173.4-3000111.8L62 S65 A66 V321 H322 E327 L328 L329L62-Q325 HydrophobicContact CD2-CG 4.09Å; L62-Q325 HydrophobicContact CG-CG 4.2Å; L62-Q325 WeakPolarHBondContact O-CG 3.43Å; L62-Q325 PolarHBondContact O-NE2 3.15Å; S65-Q325 VanDerWaalsContact C-NE2 3.27Å; S65-Q325 PolarHBondContact O-NE2 3.13Å; S65-Q325 PolarHBondContact OG-NE2 2.88Å; S65-Q325 VanDerWaalsContact OG-NE2 3.12Å; A66-Q325 HydrophobicContact CB-CB 4.08Å; A66-Q325 HydrophobicContact CB-CG 3.97Å; V321-Q325 WeakPolarHBondContact O-CG 3.46Å; V321-Q325 PolarHBondContact O-N 2.9Å; H322-Q325 PolarHBondContact O-N 3.02Å; Q325-E327 VanDerWaalsContact C-N 3.32Å; Q325-E327 PolarHBondContact O-N 3.09Å; Q325-L328 WeakPolarHBondContact O-CB 3.38Å; Q325-L328 PolarHBondContact O-N 3.43Å; Q325-L328 VanDerWaalsContact O-N 3.14Å; Q325-L329 WeakPolarHBondContact O-CG 3.37Å; Q325-L329 PolarHBondContact O-N 3.34Å
326E97.7Very high97.9Very high78 Ų7852.1 Ų52.136%0.36426%0.258SS..Hα-helixtrans-61.8-38173.7-71.8-59.3132.600112.4H322 A323 A324 L328 L329 K330H322-E326 IonicContact CE1-OE1 3.57Å; H322-E326 WeakPolarHBondContact O-CG 3.45Å; H322-E326 PolarHBondContact O-N 3.39Å; A323-E326 PolarHBondContact O-N 3.31Å; A324-E326 VanDerWaalsContact C-N 3.32Å; A324-E326 PolarHBondContact O-N 2.98Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.48Å; E326-L329 PolarHBondContact O-N 3.46Å; E326-K330 WeakPolarHBondContact O-CG 3.17Å; E326-K330 PolarHBondContact O-N 2.83Å
327E97.7Very high97.9Very high12 Ų1252 Ų526%0.05625%0.254CS..Hα-helixtrans-62.6-41.1173-66-65.6110.100111.7V310 T313 A323 A324 Q325 L329 K330 L331 T349 T350V310-E327 HydrophobicContact CG2-CB 4.26Å; T313-E327 HydrophobicContact CG2-CG 4.29Å; A323-E327 PolarHBondContact O-N 3.38Å; A324-E327 WeakPolarHBondContact O-CB 3.35Å; A324-E327 PolarHBondContact O-N 3.06Å; Q325-E327 VanDerWaalsContact C-N 3.32Å; Q325-E327 PolarHBondContact O-N 3.09Å; E327-L329 VanDerWaalsContact C-N 3.34Å; E327-L329 PolarHBondContact O-N 3.05Å; E327-K330 PolarHBondContact O-N 2.94Å; E327-K330 IonicContact OE1-NZ 2.8Å; E327-K330 PolarHBondContact OE1-NZ 3.28Å; E327-L331 WeakPolarHBondContact O-CB 3.33Å; E327-L331 WeakPolarHBondContact O-CD1 3.4Å; E327-L331 VanDerWaalsContact O-CG 3.24Å; E327-L331 WeakPolarHBondContact O-CG 3.29Å; E327-L331 PolarHBondContact O-N 3.1Å; E327-T349 VanDerWaalsContact OE2-CA 3.29Å; E327-T349 WeakPolarHBondContact OE2-CA 3.4Å; E327-T349 WeakPolarHBondContact OE2-CB 3.49Å; E327-T350 PolarHBondContact OE2-N 2.81Å; E327-T350 PolarHBondContact OE2-OG1 2.93Å; E327-T350 VanDerWaalsContact OE2-OG1 3.06Å
328L98.5Very high98Very high0 Ų047.1 Ų47.10%023%0.233CC..Hα-helixtrans-62-42.4176.1179.862.1000111.3L63 A66 L70 L306 V310 A324 Q325 E326 L331 A332L63-L328 HydrophobicContact CB-CD2 4.36Å; L63-L328 HydrophobicContact CD2-CD1 4.43Å; L63-L328 HydrophobicContact CD2-CD2 3.9Å; L63-L328 WeakPolarHBondContact O-CD2 3.37Å; A66-L328 HydrophobicContact CB-CD2 4.24Å; L70-L328 HydrophobicContact CD1-CD1 4.45Å; L70-L328 HydrophobicContact CD1-CD2 3.93Å; L70-L328 HydrophobicContact CD1-CG 3.83Å; L70-L328 HydrophobicContact CD2-CD2 4.01Å; L306-L328 WeakPolarHBondContact O-CD1 3.32Å; V310-L328 HydrophobicContact CG2-CB 3.74Å; V310-L328 HydrophobicContact CG2-CD1 4.33Å; A324-L328 PolarHBondContact O-N 3.34Å; A324-L328 VanDerWaalsContact O-N 3.15Å; Q325-L328 WeakPolarHBondContact O-CB 3.38Å; Q325-L328 PolarHBondContact O-N 3.43Å; Q325-L328 VanDerWaalsContact O-N 3.14Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.48Å; L328-L331 PolarHBondContact O-N 3.22Å; L328-A332 VanDerWaalsContact O-CB 3.29Å; L328-A332 WeakPolarHBondContact O-CB 3.34Å; L328-A332 PolarHBondContact O-N 3.39Å
329L97.7Very high98.1Very high23 Ų2339 Ų3912%0.1220%0.199CC..Hα-helixtrans-65.3-41.6178.4-66.8174.2000111.9D67 K69 L70 Q325 E326 E327 A332 K333D67-L329 HydrophobicContact CB-CD1 3.87Å; K69-L329 HydrophobicContact CB-CD2 4.25Å; L70-L329 HydrophobicContact CB-CD2 3.92Å; L70-L329 HydrophobicContact CD1-CD2 4.31Å; Q325-L329 WeakPolarHBondContact O-CG 3.37Å; Q325-L329 PolarHBondContact O-N 3.34Å; E326-L329 PolarHBondContact O-N 3.46Å; E327-L329 VanDerWaalsContact C-N 3.34Å; E327-L329 PolarHBondContact O-N 3.05Å; L329-A332 PolarHBondContact O-N 2.95Å; L329-K333 VanDerWaalsContact O-CB 3.28Å; L329-K333 WeakPolarHBondContact O-CB 3.41Å; L329-K333 PolarHBondContact O-N 3.34Å
330K96.6Very high98.1Very high85 Ų8535.1 Ų35.137%0.3719%0.185SC..Hα-helixtrans-60-47.1173.4-69.7172.3-168170.60111.4E326 E327 K333 A334 T349E326-K330 WeakPolarHBondContact O-CG 3.17Å; E326-K330 PolarHBondContact O-N 2.83Å; E327-K330 PolarHBondContact O-N 2.94Å; E327-K330 IonicContact OE1-NZ 2.8Å; E327-K330 PolarHBondContact OE1-NZ 3.28Å; K330-K333 PolarHBondContact O-N 2.99Å; K330-A334 WeakPolarHBondContact O-CB 3.47Å; K330-A334 PolarHBondContact O-N 2.86Å; K330-T349 HydrophobicContact CB-CG2 4.13Å
331L97.7Very high98.1Very high0 Ų034 Ų340%018%0.183CC..Hα-helixtrans-62.7-46179-75.7165.6000111.8E277 L306 V310 E327 L328 A334 N335 M347 T349E277-L331 HydrophobicContact CB-CD2 3.97Å; E277-L331 HydrophobicContact CG-CD2 4.04Å; L306-L331 HydrophobicContact CD2-CB 3.8Å; L306-L331 WeakPolarHBondContact O-CD1 3.42Å; V310-L331 HydrophobicContact CG2-CD1 4.07Å; E327-L331 WeakPolarHBondContact O-CB 3.33Å; E327-L331 WeakPolarHBondContact O-CD1 3.4Å; E327-L331 VanDerWaalsContact O-CG 3.24Å; E327-L331 WeakPolarHBondContact O-CG 3.29Å; E327-L331 PolarHBondContact O-N 3.1Å; L328-L331 PolarHBondContact O-N 3.22Å; L331-A334 PolarHBondContact O-N 3.4Å; L331-N335 WeakPolarHBondContact O-CB 3.31Å; L331-N335 PolarHBondContact O-N 3.01Å; L331-N335 PolarHBondContact O-ND2 3.1Å; L331-M347 HydrophobicContact CD2-CE 4.34Å; L331-M347 HydrophobicContact CD2-CG 4.46Å; L331-M347 HydrophobicContact CD2-SD 3.33Å; L331-M347 WeakPolarHBondContact CD2-SD 3.31Å; L331-M347 HydrophobicContact CG-SD 4.47Å; L331-T349 HydrophobicContact CD2-CG2 3.83Å; L331-T349 HydrophobicContact CG-CG2 3.75Å
332A98.1Very high98.1Very high1 Ų139.5 Ų39.51%0.00820%0.204CC..Hα-helixtrans-61.6-46.1177.200000111.1L70 N73 I74 L328 L329 N335 G336L70-A332 HydrophobicContact CD1-CB 3.89Å; N73-A332 HydrophobicContact CB-CB 4.07Å; N73-A332 WeakPolarHBondContact CB-O 3.43Å; I74-A332 HydrophobicContact CD1-CB 4.14Å; I74-A332 HydrophobicContact CG1-CB 4.02Å; L328-A332 VanDerWaalsContact O-CB 3.29Å; L328-A332 WeakPolarHBondContact O-CB 3.34Å; L328-A332 PolarHBondContact O-N 3.39Å; L329-A332 PolarHBondContact O-N 2.95Å; A332-N335 PolarHBondContact O-N 3.19Å; A332-G336 PolarHBondContact O-N 3.3Å
333K97.2Very high98Very high151 Ų15134.3 Ų34.366%0.65718%0.179SC*.Hα-helixtrans-62-45.1178-174.7177.4179.7-179.90112.8N73 L329 K330 G336 A337N73-K333 WeakPolarHBondContact OD1-CA 3.39Å; L329-K333 VanDerWaalsContact O-CB 3.28Å; L329-K333 WeakPolarHBondContact O-CB 3.41Å; L329-K333 PolarHBondContact O-N 3.34Å; K330-K333 PolarHBondContact O-N 2.99Å; K333-G336 PolarHBondContact O-N 2.95Å; K333-A337 PolarHBondContact O-N 3.35Å
334A97.9Very high97.6Very high8 Ų841.4 Ų41.47%0.06621%0.205CC..Hα-helixtrans-62.1-4517800000111.7T281 K330 L331 A337 A338 F343 M347T281-A334 HydrophobicContact CG2-CB 4.29Å; K330-A334 WeakPolarHBondContact O-CB 3.47Å; K330-A334 PolarHBondContact O-N 2.86Å; L331-A334 PolarHBondContact O-N 3.4Å; A334-A337 PolarHBondContact O-N 3.03Å; A334-A338 PolarHBondContact O-N 3.39Å; A334-F343 HydrophobicContact CB-CD2 4.14Å; A334-F343 HydrophobicContact CB-CE2 3.79Å; A334-M347 HydrophobicContact CB-CE 3.97Å; A334-M347 HydrophobicContact CB-CG 3.91Å
335N98.4Very high96.7Very high0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-70.7-33.5178.3-73-58.5000112.8T281 F300 F302 L306 L331 A332 A338 A339T281-N335 PolarHBondContact OG1-OD1 2.72Å; F300-N335 HydrophobicContact CD1-CB 3.77Å; F300-N335 HydrophobicContact CD2-CB 4.15Å; F300-N335 HydrophobicContact CE1-CB 3.54Å; F300-N335 WeakPolarHBondContact CE1-O 3.47Å; F300-N335 HydrophobicContact CE2-CB 3.93Å; F300-N335 HydrophobicContact CG-CB 4.07Å; F300-N335 HydrophobicContact CZ-CB 3.6Å; F302-N335 VanDerWaalsContact CE2-OD1 3.32Å; F302-N335 WeakPolarHBondContact CE2-OD1 3.36Å; L306-N335 WeakPolarHBondContact CD2-ND2 3.26Å; L331-N335 WeakPolarHBondContact O-CB 3.31Å; L331-N335 PolarHBondContact O-N 3.01Å; L331-N335 PolarHBondContact O-ND2 3.1Å; A332-N335 PolarHBondContact O-N 3.19Å; N335-A338 PolarHBondContact O-N 3.48Å; N335-A339 WeakPolarHBondContact O-CB 3.34Å; N335-A339 PolarHBondContact O-N 2.94Å
336G98.4Very high95.7Very high2 Ų248.3 Ų48.32%0.02125%0.25CS..Hα-helixtrans-63-42.317100000112.6G27 A332 K333 A339G27-G336 WeakPolarHBondContact CA-O 3.47Å; G27-G336 WeakPolarHBondContact O-CA 3.23Å; A332-G336 PolarHBondContact O-N 3.3Å; K333-G336 PolarHBondContact O-N 2.95Å; G336-A339 PolarHBondContact O-N 3.36Å
337A98.4Very high94.7Very high28 Ų2845.4 Ų45.423%0.23124%0.237CC..Hα-helixtrans-64-40.5172.800000112K333 A334 V340 G341 K342 F343K333-A337 PolarHBondContact O-N 3.35Å; A334-A337 PolarHBondContact O-N 3.03Å; A337-V340 CarbonylContact O-C 3.42Å; A337-V340 VanDerWaalsContact O-CG2 3.27Å; A337-V340 WeakPolarHBondContact O-CG2 3.33Å; A337-V340 PolarHBondContact O-N 2.95Å; A337-G341 PolarHBondContact O-N 3.29Å; A337-K342 PolarHBondContact O-N 3.41Å; A337-F343 HydrophobicContact CB-CB 4.3Å; A337-F343 PolarHBondContact O-N 3.37Å
338A98.6Very high93.8Very high0 Ų047.3 Ų47.30%026%0.26CS..Hα-helixtrans-65.4-38.2176.300000112.8T281 L284 N285 N288 A334 N335 V340 G341 F343T281-A338 HydrophobicContact CG2-CB 3.68Å; T281-A338 WeakPolarHBondContact O-CB 3.26Å; L284-A338 HydrophobicContact CB-CB 4.23Å; L284-A338 HydrophobicContact CD2-CB 3.95Å; L284-A338 HydrophobicContact CG-CB 4.09Å; N285-A338 WeakPolarHBondContact CA-O 3.42Å; N285-A338 HydrophobicContact CB-CB 3.83Å; N288-A338 PolarHBondContact ND2-O 2.61Å; A334-A338 PolarHBondContact O-N 3.39Å; N335-A338 PolarHBondContact O-N 3.48Å; A338-V340 PolarHBondContact O-N 3.19Å; A338-V340 VanDerWaalsContact O-N 3.08Å; A338-G341 PolarHBondContact O-N 2.92Å; A338-F343 HydrophobicContact CB-CB 3.99Å
339A98.6Very high93.1Very high10 Ų1048.1 Ų48.18%0.08327%0.265CS..THydrogen-bonded Turntrans-63-12.6175.700000113.7L284 N288 F300 N335 G336L284-A339 HydrophobicContact CD2-CB 4.4Å; N288-A339 PolarHBondContact OD1-O 3.49Å; F300-A339 HydrophobicContact CD1-CB 4.28Å; F300-A339 HydrophobicContact CE1-CB 4.29Å; N335-A339 WeakPolarHBondContact O-CB 3.34Å; N335-A339 PolarHBondContact O-N 2.94Å; G336-A339 PolarHBondContact O-N 3.36Å
340V98.1Very high92.2Very high60 Ų6050.9 Ų50.936%0.36428%0.283SS..THydrogen-bonded Turntrans-119.113173-60.30000113P26 A337 A338 K342P26-V340 HydrophobicContact CB-CG1 4.44Å; A337-V340 CarbonylContact O-C 3.42Å; A337-V340 VanDerWaalsContact O-CG2 3.27Å; A337-V340 WeakPolarHBondContact O-CG2 3.33Å; A337-V340 PolarHBondContact O-N 2.95Å; A338-V340 PolarHBondContact O-N 3.19Å; A338-V340 VanDerWaalsContact O-N 3.08Å; V340-K342 VanDerWaalsContact C-N 3.32Å; V340-K342 HydrophobicContact CG2-CB 4.13Å; V340-K342 HydrophobicContact CG2-CD 4.08Å; V340-K342 HydrophobicContact CG2-CG 4.08Å; V340-K342 PolarHBondContact O-N 2.73Å
341G98.1Very high91.5Very high16 Ų1648.8 Ų48.817%0.16528%0.275CS..THydrogen-bonded Turntrans70.321.1176.500000115.2N285 K289 A337 A338N285-G341 VanDerWaalsContact OD1-CA 3.29Å; N285-G341 WeakPolarHBondContact OD1-CA 3.3Å; N285-G341 PolarHBondContact OD1-O 3.03Å; K289-G341 WeakPolarHBondContact CE-O 3.34Å; A337-G341 PolarHBondContact O-N 3.29Å; A338-G341 PolarHBondContact O-N 2.92Å
342K98Very high90.8Very high158 Ų15849.3 Ų49.369%0.68728%0.281SS*.  trans-114.915.4-175.2-64.1-177.9-179.5-179.80113.8N285 A337 V340 E344N285-K342 PolarHBondContact OD1-N 3.22Å; A337-K342 PolarHBondContact O-N 3.41Å; V340-K342 VanDerWaalsContact C-N 3.32Å; V340-K342 HydrophobicContact CG2-CB 4.13Å; V340-K342 HydrophobicContact CG2-CD 4.08Å; V340-K342 HydrophobicContact CG2-CG 4.08Å; V340-K342 PolarHBondContact O-N 2.73Å; K342-E344 PolarHBondContact O-N 3.39Å
343F97.2Very high90.1Very high17 Ų1754.4 Ų54.48%0.07531%0.308CS..  trans-72.9126.2175.5178.4-116.6000110.7L278 T281 K282 N285 A334 A337 A338 G345 N346 M347L278-F343 HydrophobicContact CD1-CE1 3.72Å; L278-F343 HydrophobicContact CD1-CZ 3.72Å; T281-F343 HydrophobicContact CG2-CB 4.45Å; T281-F343 HydrophobicContact CG2-CD1 3.63Å; T281-F343 HydrophobicContact CG2-CD2 3.97Å; T281-F343 HydrophobicContact CG2-CE1 3.7Å; T281-F343 HydrophobicContact CG2-CE2 4.06Å; T281-F343 HydrophobicContact CG2-CG 3.76Å; T281-F343 HydrophobicContact CG2-CZ 3.92Å; K282-F343 HydrophobicContact CG-CE1 4.28Å; N285-F343 HydrophobicContact CB-CB 4.06Å; N285-F343 PolarHBondContact ND2-O 3.27Å; N285-F343 WeakPolarHBondContact OD1-CB 3.46Å; N285-F343 PolarHBondContact OD1-N 2.71Å; A334-F343 HydrophobicContact CB-CD2 4.14Å; A334-F343 HydrophobicContact CB-CE2 3.79Å; A337-F343 HydrophobicContact CB-CB 4.3Å; A337-F343 PolarHBondContact O-N 3.37Å; A338-F343 HydrophobicContact CB-CB 3.99Å; F343-G345 VanDerWaalsContact C-N 3.33Å; F343-N346 WeakPolarHBondContact CE2-O 3.24Å; F343-M347 HydrophobicContact CZ-CB 4.39Å
344E89.9Confident89.4Confident196 Ų19653.8 Ų53.892%0.91631%0.305SS*.  trans-88.75.3-174.6-62.8-179.8172.500113.7K342K342-E344 PolarHBondContact O-N 3.39Å
345G79.7Confident88.9Confident34 Ų3456.8 Ų56.835%0.35133%0.326SS..SBendtrans93.4-3169.500000116.2F343F343-G345 VanDerWaalsContact C-N 3.33Å
346N77.4Confident88.5Confident135 Ų13557.9 Ų57.972%0.72233%0.331SS*.  trans-117.7129.2175.4-171.58.9000111.5F343 G348F343-N346 WeakPolarHBondContact CE2-O 3.24Å; N346-G348 PolarHBondContact OD1-N 3.3Å
347M77Confident88.1Confident18 Ų1860.8 Ų60.89%0.08934%0.344CS..  trans-110.8-30.8178.4-162-176.1-78.100112.9E277 L278 T281 L331 A334 F343 T349E277-M347 HydrophobicContact CB-CE 4.33Å; E277-M347 HydrophobicContact CB-SD 3.84Å; E277-M347 WeakPolarHBondContact O-CE 3.34Å; L278-M347 HydrophobicContact CD1-CB 4.4Å; T281-M347 HydrophobicContact CG2-CE 3.94Å; T281-M347 WeakPolarHBondContact OG1-CE 3.45Å; L331-M347 HydrophobicContact CD2-CE 4.34Å; L331-M347 HydrophobicContact CD2-CG 4.46Å; L331-M347 HydrophobicContact CD2-SD 3.33Å; L331-M347 WeakPolarHBondContact CD2-SD 3.31Å; L331-M347 HydrophobicContact CG-SD 4.47Å; A334-M347 HydrophobicContact CB-CE 3.97Å; A334-M347 HydrophobicContact CB-CG 3.91Å; F343-M347 HydrophobicContact CZ-CB 4.39Å; M347-T349 HydrophobicContact CG-CG2 3.61Å; M347-T349 PolarHBondContact O-N 3.02Å; M347-T349 HydrophobicContact SD-CG2 3.85Å; M347-T349 PolarHBondContact SD-OG1 3.28Å
348G78.1Confident87.4Confident52 Ų5262.6 Ų62.654%0.53635%0.352SS..  trans57.327.8179.700000115N346N346-G348 PolarHBondContact OD1-N 3.3Å
349T83.9Confident86.9Confident17 Ų1765.5 Ų65.510%0.10438%0.376CS..  trans-90.8159.2178.656.80000111.9E277 E327 K330 L331 M347 L351 G352E277-T349 WeakPolarHBondContact OE2-CB 3.37Å; E277-T349 PolarHBondContact OE2-OG1 3.49Å; E327-T349 VanDerWaalsContact OE2-CA 3.29Å; E327-T349 WeakPolarHBondContact OE2-CA 3.4Å; E327-T349 WeakPolarHBondContact OE2-CB 3.49Å; K330-T349 HydrophobicContact CB-CG2 4.13Å; L331-T349 HydrophobicContact CD2-CG2 3.83Å; L331-T349 HydrophobicContact CG-CG2 3.75Å; M347-T349 HydrophobicContact CG-CG2 3.61Å; M347-T349 PolarHBondContact O-N 3.02Å; M347-T349 HydrophobicContact SD-CG2 3.85Å; M347-T349 PolarHBondContact SD-OG1 3.28Å; T349-L351 PolarHBondContact O-N 2.99Å; T349-G352 PolarHBondContact OG1-N 2.7Å
350T79.5Confident86Confident81 Ų8169.5 Ų69.550%0.49740%0.396SS..SBendtrans-58.8-40.7-172.3-59.90000113.7S309 T313 E327S309-T350 PolarHBondContact OG-N 2.65Å; T313-T350 PolarHBondContact OG1-OG1 3.33Å; E327-T350 PolarHBondContact OE2-N 2.81Å; E327-T350 PolarHBondContact OE2-OG1 2.93Å; E327-T350 VanDerWaalsContact OE2-OG1 3.06Å
351L81.6Confident85.2Confident41 Ų4167.6 Ų67.622%0.21538%0.383CS..SBendtrans-98.1-28.4179.4-64.8-176.2000113.5A308 S309 A312 T349 D353 K354A308-L351 VanDerWaalsContact C-CD1 3.43Å; A308-L351 HydrophobicContact CB-CD1 3.54Å; A308-L351 WeakPolarHBondContact O-CD1 3.47Å; S309-L351 WeakPolarHBondContact OG-CB 3.23Å; S309-L351 PolarHBondContact OG-N 2.81Å; A312-L351 HydrophobicContact CB-CD1 4.21Å; A312-L351 HydrophobicContact CB-CD2 4.29Å; A312-L351 HydrophobicContact CB-CG 4.21Å; T349-L351 PolarHBondContact O-N 2.99Å; L351-D353 PolarHBondContact O-N 3.17Å; L351-K354 HydrophobicContact CB-CB 4.35Å; L351-K354 HydrophobicContact CD2-CD 4Å; L351-K354 WeakPolarHBondContact O-CB 3.5Å; L351-K354 PolarHBondContact O-N 3.5Å
352G82.3Confident84.1Confident11 Ų1168.9 Ų68.911%0.11339%0.392CS..THydrogen-bonded Turntrans45.6-98.5173.300000114.1E277 L278 T349E277-G352 PolarHBondContact N-O 2.86Å; L278-G352 PolarHBondContact N-O 3.47Å; L278-G352 VanDerWaalsContact N-O 3.09Å; T349-G352 PolarHBondContact OG1-N 2.7Å
353D83.3Confident82.3Confident108 Ų10864 Ų6458%0.57837%0.369SS*.THydrogen-bonded Turntrans-90.9-1.3-172-61.8-4.5000113.8S276 L278 L351 S355S276-D353 VanDerWaalsContact CB-C 3.45Å; S276-D353 WeakPolarHBondContact CB-O 3.2Å; L278-D353 WeakPolarHBondContact CB-OD1 3.27Å; L278-D353 WeakPolarHBondContact CD2-OD1 3.49Å; L278-D353 WeakPolarHBondContact CG-OD1 3.34Å; L351-D353 PolarHBondContact O-N 3.17Å; D353-S355 PolarHBondContact O-N 3.36Å
354K83.5Confident81.6Confident137 Ų13766.4 Ų66.460%0.59638%0.384SS*.  trans-66.3124.1-179.6-170.7-179.6-178.3179.10110.3S276 L351 L356S276-K354 WeakPolarHBondContact CA-O 3.41Å; S276-K354 VanDerWaalsContact CB-O 3.28Å; S276-K354 WeakPolarHBondContact CB-O 3.35Å; L351-K354 HydrophobicContact CB-CB 4.35Å; L351-K354 HydrophobicContact CD2-CD 4Å; L351-K354 WeakPolarHBondContact O-CB 3.5Å; L351-K354 PolarHBondContact O-N 3.5Å; K354-L356 PolarHBondContact O-N 2.84Å
355S86.8Confident81.1Confident72 Ų7259.5 Ų59.550%0.50336%0.356SS..  trans-55.2135.2174.4179.50000111.4D353 F357D353-S355 PolarHBondContact O-N 3.36Å; S355-F357 PolarHBondContact OG-N 2.94Å
356L90.2Very high81.2Confident22 Ų2260.9 Ų60.912%0.11536%0.357CS..  trans-10813.6178.2-57.4176.8000111.4G274 E277 R304 A308 K354G274-L356 CarbonylContact O-C 3.57Å; G274-L356 WeakPolarHBondContact O-CA 3.3Å; G274-L356 PolarHBondContact O-N 3.01Å; G274-L356 VanDerWaalsContact O-N 3.16Å; E277-L356 HydrophobicContact CG-CD1 4.12Å; R304-L356 HydrophobicContact CB-CB 4.39Å; R304-L356 HydrophobicContact CB-CD1 4.01Å; R304-L356 PolarHBondContact NH1-O 2.95Å; A308-L356 HydrophobicContact CB-CD1 3.91Å; A308-L356 HydrophobicContact CB-CD2 3.6Å; A308-L356 HydrophobicContact CB-CG 4.44Å; K354-L356 PolarHBondContact O-N 2.84Å
357F89.7Confident81.5Confident64 Ų6456.6 Ų56.628%0.28134%0.335SS..  trans-65.4139.5-175.9175.6-113.7000111.1P193 Q238 G274 S355 A359P193-F357 HydrophobicContact CG-CD2 4.3Å; P193-F357 HydrophobicContact CG-CE2 4.11Å; Q238-F357 HydrophobicContact CB-CD1 4.4Å; Q238-F357 HydrophobicContact CB-CE1 4.18Å; Q238-F357 HydrophobicContact CB-CE2 4.37Å; Q238-F357 HydrophobicContact CB-CZ 4.16Å; Q238-F357 HydrophobicContact CG-CD1 4.14Å; Q238-F357 HydrophobicContact CG-CD2 3.62Å; Q238-F357 HydrophobicContact CG-CE1 4.22Å; Q238-F357 HydrophobicContact CG-CE2 3.72Å; Q238-F357 HydrophobicContact CG-CG 3.84Å; Q238-F357 HydrophobicContact CG-CZ 4.01Å; G274-F357 WeakPolarHBondContact O-CA 3.26Å; G274-F357 PolarHBondContact O-N 3.32Å; S355-F357 PolarHBondContact OG-N 2.94Å; F357-A359 HydrophobicContact CE1-CB 4.11Å; F357-A359 HydrophobicContact CZ-CB 4.1Å
358V85Confident81.7Confident66 Ų6659 Ų5940%0.435%0.35SS..  trans-134.7116.4174.5177.30000105.5N360 H361V358-N360 PolarHBondContact O-N 3.18Å; V358-H361 HydrophobicContact CB-CB 4.28Å; V358-H361 WeakPolarHBondContact O-CB 3.06Å; V358-H361 PolarHBondContact O-N 2.86Å
359A87Confident82Confident61 Ų6159.5 Ų59.550%0.50434%0.338SS..THydrogen-bonded Turntrans-58.9138.4-179.800000110.9D194 F357 H361D194-A359 WeakPolarHBondContact OD1-CA 3.4Å; F357-A359 HydrophobicContact CE1-CB 4.11Å; F357-A359 HydrophobicContact CZ-CB 4.1Å; A359-H361 VanDerWaalsContact C-N 3.28Å; A359-H361 PolarHBondContact O-N 3.14Å
360N80.5Confident81.8Confident93 Ų9362.5 Ų62.550%0.49736%0.355SS..THydrogen-bonded Turntrans50.445.7-178.6-63.2-71.2000112.8K153 D194 V358 A362K153-N360 WeakPolarHBondContact CE-OD1 3.31Å; K153-N360 PolarHBondContact NZ-OD1 2.63Å; D194-N360 PolarHBondContact OD1-N 2.85Å; V358-N360 PolarHBondContact O-N 3.18Å; N360-A362 PolarHBondContact O-N 3.16Å
361H80.9Confident82Confident21 Ų2161.1 Ų61.110%0.09734%0.344CS..  trans-62.3107.8-174.3-170.856.9000113.1R149 R304 V358 A359R149-H361 PolarHBondContact NH1-O 3.27Å; R149-H361 PolarHBondContact NH2-O 3.2Å; R304-H361 PolarHBondContact NH2-CD2 3.19Å; R304-H361 VanDerWaalsContact NH2-CD2 3.33Å; V358-H361 HydrophobicContact CB-CB 4.28Å; V358-H361 WeakPolarHBondContact O-CB 3.06Å; V358-H361 PolarHBondContact O-N 2.86Å; A359-H361 VanDerWaalsContact C-N 3.28Å; A359-H361 PolarHBondContact O-N 3.14Å
362A73.7Confident82.1Confident43 Ų4362.8 Ų62.836%0.35536%0.355SS..  trans-121.7148.7169.600000110.3N360N360-A362 PolarHBondContact O-N 3.16Å
363Y61.6Low82Confident55 Ų5567.5 Ų67.522%0.21638%0.377CS..  trans-79.70-178.1-75.8-74000113.6S36 T39 R149S36-Y363 PolarHBondContact OG-OXT 3.44Å; T39-Y363 HydrophobicContact CG2-CD1 4.07Å; T39-Y363 HydrophobicContact CG2-CE1 4.4Å; T39-Y363 WeakPolarHBondContact OG1-CA 3.24Å; T39-Y363 PolarHBondContact OG1-OXT 2.79Å; R149-Y363 VanDerWaalsContact CD-CE2 3.45Å

Retrieved 363 of 363 residues in 208.5 ms (Link to these results)

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