A0A087XQJ5_POEFO Loading...

Nudix (nucleoside diphosphate linked moiety X)-type motif 22

AlphaFold DB , UniProt , Accession A0A087XQJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 347 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
1M56Low90.7Very high212 Ų21275.9 Ų75.9100%1.04440%0.402SS*.  0122.90-169.6-178-7100107.3R322M1-R322 WeakPolarHBondContact O-CD 3.44Å; M1-R322 PolarHBondContact O-NH1 2.99Å
2M81.3Confident91.2Very high180 Ų18069.6 Ų69.689%0.88737%0.368SS*.  trans-64.3146.8-177.3-61.2-168.7-147.500111.3R322M2-R322 VanDerWaalsContact C-NH1 3.33Å; M2-R322 PolarHBondContact O-NH1 3.13Å
3D90.3Very high91.5Very high20 Ų2066.5 Ų66.511%0.10736%0.358CS..  trans-68.9122.3173.9-167.5-40.2000108.9E5 V6 R322 W327 K335D3-E5 PolarHBondContact O-N 3.37Å; D3-E5 WeakPolarHBondContact OD1-CB 3.25Å; D3-E5 PolarHBondContact OD1-N 3.01Å; D3-V6 HydrophobicContact CB-CG1 3.9Å; D3-R322 HydrophobicContact CB-CG 4.37Å; D3-W327 PolarHBondContact OD2-NE1 2.81Å; D3-K335 IonicContact OD2-NZ 3.45Å; D3-K335 PolarHBondContact OD2-NZ 2.88Å
4P93.4Very high91.7Very high95 Ų9568.6 Ų68.662%0.61738%0.378SS*.THydrogen-bonded Turntrans-71.9-16.4-178.230.4-36.2000113.6H271P4-H271 WeakPolarHBondContact O-CB 3.28Å
5E95Very high91.8Very high75 Ų7569.1 Ų69.135%0.3537%0.371SS..THydrogen-bonded Turntrans-85.5-18.4-176.3-63.1176.6-177.300112.9D3 H271 T272 P332 K335D3-E5 PolarHBondContact O-N 3.37Å; D3-E5 WeakPolarHBondContact OD1-CB 3.25Å; D3-E5 PolarHBondContact OD1-N 3.01Å; E5-H271 WeakPolarHBondContact O-CB 3.26Å; E5-H271 PolarHBondContact O-N 3.03Å; E5-T272 HydrophobicContact CB-CG2 3.95Å; E5-T272 HydrophobicContact CG-CG2 3.81Å; E5-P332 HydrophobicContact CB-CG 4.2Å; E5-K335 IonicContact OE2-NZ 3.15Å; E5-K335 PolarHBondContact OE2-NZ 3.34Å
6V96.4Very high92Very high9 Ų969.3 Ų69.36%0.05538%0.38CS..EExtended strand (participates in β ladder)trans-142.6142.3-174.163.80000112.8D3 A268 L269 K335 L339D3-V6 HydrophobicContact CB-CG1 3.9Å; V6-A268 HydrophobicContact CG2-CB 4.48Å; V6-L269 WeakPolarHBondContact CA-O 3.21Å; V6-K335 HydrophobicContact CB-CB 4.47Å; V6-K335 HydrophobicContact CG1-CB 3.87Å; V6-K335 HydrophobicContact CG1-CD 4.3Å; V6-L339 HydrophobicContact CG1-CD1 4.05Å
7S97Very high92.3Very high41 Ų4165.5 Ų65.529%0.28736%0.36SS..EExtended strand (participates in β ladder)trans-142.1157.7167.964.70000111.5A268 L269 H271S7-A268 CarbonylContact O-C 3.54Å; S7-A268 WeakPolarHBondContact O-CA 3.5Å; S7-L269 PolarHBondContact N-O 3.1Å; S7-L269 PolarHBondContact O-N 3.08Å; S7-H271 WeakPolarHBondContact CB-NE2 3.45Å; S7-H271 PolarHBondContact OG-CE1 3.19Å; S7-H271 PolarHBondContact OG-NE2 3.31Å
8L97.6Very high92.6Very high60 Ų6061.8 Ų61.831%0.31434%0.34SS..EExtended strand (participates in β ladder)trans-88.5125.4173.2-54.6-173.2000109.8A268 L339 L340L8-A268 HydrophobicContact CD2-CB 4.18Å; L8-L339 HydrophobicContact CD1-CB 4.23Å; L8-L339 HydrophobicContact CD2-CB 4.01Å; L8-L339 HydrophobicContact CD2-CD1 4.44Å; L8-L339 HydrophobicContact CG-CB 4.4Å; L8-L340 HydrophobicContact CD1-CD2 3.91Å; L8-L340 HydrophobicContact CD1-CG 4.27Å; L8-L340 HydrophobicContact CD2-CD1 4.21Å; L8-L340 HydrophobicContact CD2-CD2 4.03Å; L8-L340 HydrophobicContact CD2-CG 3.68Å; L8-L340 HydrophobicContact CG-CD2 4.45Å
9L97.4Very high92.8Very high69 Ų6967 Ų6736%0.36135%0.354SS..EExtended strand (participates in β ladder)trans-85-37.4171.4176.263.2000111.1L65 F68 I267 L269L9-L65 HydrophobicContact CD2-CD2 3.9Å; L9-F68 HydrophobicContact CD1-CE1 3.99Å; L9-F68 HydrophobicContact CD2-CD1 4.4Å; L9-F68 HydrophobicContact CD2-CE1 4.23Å; L9-F68 HydrophobicContact CG-CD1 4.41Å; L9-F68 HydrophobicContact CG-CE1 3.77Å; L9-I267 HydrophobicContact CB-CB 4.26Å; L9-I267 HydrophobicContact CB-CG2 4.22Å; L9-I267 HydrophobicContact CD2-CG2 4.04Å; L9-I267 PolarHBondContact N-O 2.98Å; L9-L269 HydrophobicContact CB-CD1 4.19Å; L9-L269 HydrophobicContact CB-CD2 3.9Å; L9-L269 HydrophobicContact CB-CG 3.92Å; L9-L269 HydrophobicContact CD2-CD2 4.06Å; L9-L269 HydrophobicContact CG-CD2 4.5Å
10L97.4Very high93Very high9 Ų967.7 Ų67.75%0.04736%0.355CS..EExtended strand (participates in β ladder)trans-147.2135.1-179.7169.964.4000108.7F68 L70 L127 G266 I267 L340L10-F68 HydrophobicContact CB-CE1 4.3Å; L10-F68 HydrophobicContact CB-CE2 4.39Å; L10-F68 HydrophobicContact CB-CZ 4.08Å; L10-F68 HydrophobicContact CD1-CD2 4.36Å; L10-F68 HydrophobicContact CD1-CE2 3.82Å; L10-F68 HydrophobicContact CD1-CZ 4.24Å; L10-F68 HydrophobicContact CD2-CD2 4.28Å; L10-F68 HydrophobicContact CD2-CE2 4.44Å; L10-F68 HydrophobicContact CG-CE2 4.44Å; L10-L70 HydrophobicContact CD1-CD1 4.03Å; L10-L70 HydrophobicContact CD1-CD2 4.28Å; L10-L70 HydrophobicContact CD1-CG 4.5Å; L10-L127 HydrophobicContact CD2-CD1 3.73Å; L10-L127 HydrophobicContact CD2-CD2 3.85Å; L10-L127 HydrophobicContact CD2-CG 4.46Å; L10-G266 CarbonylContact O-C 3.55Å; L10-G266 WeakPolarHBondContact O-CA 3.27Å; L10-I267 HydrophobicContact CB-CB 4.25Å; L10-I267 HydrophobicContact CB-CG1 4.36Å; L10-I267 HydrophobicContact CD2-CD1 4.32Å; L10-I267 HydrophobicContact CD2-CG1 4.37Å; L10-I267 PolarHBondContact N-O 3.4Å; L10-I267 PolarHBondContact O-N 2.76Å; L10-L340 WeakPolarHBondContact O-CD2 3.44Å
11D96.2Very high93.1Very high65 Ų6570.7 Ų70.735%0.34837%0.367SS..EExtended strand (participates in β ladder)trans-118.9141162.97391.7000110.4A13 L340 V343D11-A13 WeakPolarHBondContact OD1-CB 3.45Å; D11-A13 PolarHBondContact OD1-N 3.21Å; D11-L340 HydrophobicContact CB-CD2 3.77Å; D11-V343 HydrophobicContact CB-CG1 4.46Å
12C96.5Very high95Very high0 Ų062.3 Ų62.30%033%0.325CS..  trans-10225.4-178.8-60.90000111.7W15 S16 G17 L18 M265C12-W15 HydrophobicContact CB-CE3 4.36Å; C12-W15 PolarHBondContact O-N 3.21Å; C12-W15 VanDerWaalsContact O-N 3.11Å; C12-S16 PolarHBondContact O-N 3.07Å; C12-G17 PolarHBondContact O-N 3.41Å; C12-L18 HydrophobicContact CB-CD1 4.47Å; C12-L18 HydrophobicContact CB-CG 4.06Å; C12-M265 VanDerWaalsContact CB-O 3.25Å; C12-M265 WeakPolarHBondContact CB-O 3.41Å; C12-M265 PolarHBondContact N-O 2.81Å
13A95Very high95.8Very high29 Ų2954 Ų5424%0.2429%0.285CS..G310 helixtrans-59.3-36.3-177.600000114.1D11 W15 S16 V343 V344D11-A13 WeakPolarHBondContact OD1-CB 3.45Å; D11-A13 PolarHBondContact OD1-N 3.21Å; A13-W15 PolarHBondContact O-N 3.21Å; A13-S16 PolarHBondContact O-N 3.13Å; A13-V343 HydrophobicContact CB-CG1 3.95Å; A13-V344 HydrophobicContact CB-CG2 4.16Å
14P93.8Very high96.1Very high97 Ų9754.7 Ų54.763%0.6329%0.287SS*.G310 helixtrans-58.8-18.4176.1-26.135.8000114.8
15W94.1Very high96.3Very high75 Ų7550.9 Ų50.928%0.28426%0.262SS..G310 helixtrans-112.94.5179.7-56.9-83.6000113.2C12 A13 G17 L18 L70 V126C12-W15 HydrophobicContact CB-CE3 4.36Å; C12-W15 PolarHBondContact O-N 3.21Å; C12-W15 VanDerWaalsContact O-N 3.11Å; A13-W15 PolarHBondContact O-N 3.21Å; W15-G17 CarbonylContact C-O 3.52Å; W15-G17 PolarHBondContact O-N 2.87Å; W15-L18 HydrophobicContact CB-CD2 3.59Å; W15-L18 HydrophobicContact CD2-CD2 4.03Å; W15-L18 HydrophobicContact CE3-CD2 4.35Å; W15-L18 HydrophobicContact CG-CD2 3.67Å; W15-L70 HydrophobicContact CH2-CD1 4.12Å; W15-L70 HydrophobicContact CH2-CD2 3.93Å; W15-L70 HydrophobicContact CH2-CG 4.49Å; W15-L70 HydrophobicContact CZ3-CD2 4.17Å; W15-V126 HydrophobicContact CD2-CG1 3.75Å; W15-V126 HydrophobicContact CE3-CG1 4.25Å; W15-V126 HydrophobicContact CG-CG1 4.28Å; W15-V126 HydrophobicContact CH2-CG1 4.02Å; W15-V126 HydrophobicContact CZ2-CG1 3.46Å; W15-V126 VanDerWaalsContact CZ2-CG1 3.46Å; W15-V126 HydrophobicContact CZ3-CG1 4.38Å
16S94.8Very high96.3Very high73 Ų7349.1 Ų49.151%0.5125%0.254SS..THydrogen-bonded Turntrans54.734.5-168.7-56.70000112.4C12 A13C12-S16 PolarHBondContact O-N 3.07Å; A13-S16 PolarHBondContact O-N 3.13Å
17G96.8Very high96.3Very high4 Ų449.2 Ų49.24%0.04125%0.254CS..SBendtrans89.1161.1-172.100000113.6C12 W15 L264C12-G17 PolarHBondContact O-N 3.41Å; W15-G17 CarbonylContact C-O 3.52Å; W15-G17 PolarHBondContact O-N 2.87Å; G17-L264 CarbonylContact C-O 3.55Å; G17-L264 VanDerWaalsContact CA-O 3.22Å; G17-L264 WeakPolarHBondContact CA-O 3.34Å
18L97.2Very high96.2Very high0 Ų048.2 Ų48.20%025%0.247CC..BIsolated β-bridgetrans-111.9133.8-176.6-62.1178000111.7C12 W15 Q22 V23 V126 L127 L264C12-L18 HydrophobicContact CB-CD1 4.47Å; C12-L18 HydrophobicContact CB-CG 4.06Å; W15-L18 HydrophobicContact CB-CD2 3.59Å; W15-L18 HydrophobicContact CD2-CD2 4.03Å; W15-L18 HydrophobicContact CE3-CD2 4.35Å; W15-L18 HydrophobicContact CG-CD2 3.67Å; L18-Q22 HydrophobicContact CB-CB 4.38Å; L18-Q22 HydrophobicContact CD2-CB 4.16Å; L18-V23 HydrophobicContact CB-CG2 4.04Å; L18-V23 HydrophobicContact CD1-CG2 4.37Å; L18-V126 HydrophobicContact CD1-CB 4.25Å; L18-V126 HydrophobicContact CD1-CG1 4.13Å; L18-V126 HydrophobicContact CD2-CB 3.82Å; L18-V126 HydrophobicContact CD2-CG1 3.84Å; L18-V126 HydrophobicContact CD2-CG2 4.01Å; L18-L127 HydrophobicContact CD1-CB 3.58Å; L18-L127 HydrophobicContact CD1-CD2 4Å; L18-L127 HydrophobicContact CD1-CG 4.43Å; L18-L264 HydrophobicContact CB-CB 4.32Å; L18-L264 PolarHBondContact N-O 3.41Å; L18-L264 PolarHBondContact O-N 2.99Å
19R97Very high96.1Very high160 Ų16049.8 Ų49.860%0.60426%0.256SS*.  trans-83.3161.9170.8-64.1179.5178.1177.41.5110.7H21 Q22R19-H21 VanDerWaalsContact C-N 3.29Å; R19-H21 PolarHBondContact O-N 2.76Å; R19-H21 VanDerWaalsContact O-N 3.16Å; R19-Q22 WeakPolarHBondContact O-CB 3.37Å; R19-Q22 PolarHBondContact O-N 2.91Å
20E96.9Very high96Very high81 Ų8153.1 Ų53.138%0.37926%0.264SS..G310 helixtrans-48.1-47.1-177.7-167-177.7152.300113.3Q22 V23 V237 S238 F241E20-Q22 PolarHBondContact O-N 2.62Å; E20-Q22 VanDerWaalsContact O-N 3.14Å; E20-V23 PolarHBondContact O-N 3.11Å; E20-V237 HydrophobicContact CG-CG1 3.73Å; E20-S238 WeakPolarHBondContact OE1-CA 3.37Å; E20-S238 WeakPolarHBondContact OE1-CB 3.44Å; E20-S238 PolarHBondContact OE1-OG 2.93Å; E20-F241 HydrophobicContact CB-CD1 3.87Å; E20-F241 HydrophobicContact CB-CD2 4.29Å; E20-F241 HydrophobicContact CB-CE1 4.03Å; E20-F241 HydrophobicContact CB-CE2 4.42Å; E20-F241 HydrophobicContact CB-CG 4.02Å; E20-F241 HydrophobicContact CB-CZ 4.31Å; E20-F241 HydrophobicContact CG-CB 4.29Å; E20-F241 HydrophobicContact CG-CD1 4.32Å; E20-F241 HydrophobicContact CG-CD2 4Å; E20-F241 HydrophobicContact CG-CE2 4.42Å; E20-F241 HydrophobicContact CG-CG 3.95Å; E20-F241 VanDerWaalsContact N-CE1 3.34Å
21H95.4Very high96Very high130 Ų13053 Ų5360%0.60226%0.263SS*.G310 helixtrans-66.9-15.2-178.970.2-88.4000114.8R19R19-H21 VanDerWaalsContact C-N 3.29Å; R19-H21 PolarHBondContact O-N 2.76Å; R19-H21 VanDerWaalsContact O-N 3.16Å
22Q96.3Very high96.1Very high37 Ų3752 Ų5217%0.17326%0.257CS..G310 helixtrans-90.8-4.5177.1-58.1175.2-85.500112.2L18 R19 E20 S125 V126 L127L18-Q22 HydrophobicContact CB-CB 4.38Å; L18-Q22 HydrophobicContact CD2-CB 4.16Å; R19-Q22 WeakPolarHBondContact O-CB 3.37Å; R19-Q22 PolarHBondContact O-N 2.91Å; E20-Q22 PolarHBondContact O-N 2.62Å; E20-Q22 VanDerWaalsContact O-N 3.14Å; Q22-S125 PolarHBondContact O-OG 2.83Å; Q22-V126 HydrophobicContact CB-CB 4.38Å; Q22-V126 HydrophobicContact CB-CG2 4.14Å; Q22-V126 PolarHBondContact O-N 3.47Å; Q22-L127 PolarHBondContact O-N 3.32Å
23V97.2Very high96.2Very high6 Ų653.1 Ų53.14%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-111.9138.6-179.3-175.30000109.8L18 E20 L127 L129 V237 F241 L264L18-V23 HydrophobicContact CB-CG2 4.04Å; L18-V23 HydrophobicContact CD1-CG2 4.37Å; E20-V23 PolarHBondContact O-N 3.11Å; V23-L127 CarbonylContact C-O 3.56Å; V23-L127 WeakPolarHBondContact CA-O 3.45Å; V23-L127 HydrophobicContact CG1-CD2 4.28Å; V23-L127 HydrophobicContact CG1-CG 4.48Å; V23-L127 HydrophobicContact CG2-CB 4.43Å; V23-L127 HydrophobicContact CG2-CD2 4.32Å; V23-L129 HydrophobicContact CG1-CD1 4.23Å; V23-L129 HydrophobicContact CG1-CG 4.39Å; V23-V237 HydrophobicContact CB-CG1 4.22Å; V23-V237 HydrophobicContact CG1-CG1 4.46Å; V23-F241 HydrophobicContact CB-CE2 4.21Å; V23-F241 HydrophobicContact CG2-CE2 4.09Å; V23-F241 HydrophobicContact CG2-CZ 3.94Å; V23-L264 HydrophobicContact CG2-CD2 4.07Å
24Q96.6Very high96.3Very high33 Ų3355.7 Ų55.715%0.15427%0.269CS..EExtended strand (participates in β ladder)trans-128.6161.9172.4-77.7173.324.300110.2S125 L127 T128 L129Q24-S125 WeakPolarHBondContact CG-OG 3.33Å; Q24-S125 PolarHBondContact NE2-OG 2.83Å; Q24-S125 VanDerWaalsContact NE2-OG 3.16Å; Q24-L127 PolarHBondContact N-O 2.99Å; Q24-T128 CarbonylContact O-C 3.08Å; Q24-T128 VanDerWaalsContact O-CA 3.32Å; Q24-T128 WeakPolarHBondContact O-CA 3.18Å; Q24-L129 PolarHBondContact O-N 3.32Å
25V96.8Very high96.4Very high15 Ų1554.3 Ų54.39%0.09126%0.258CS..EExtended strand (participates in β ladder)trans-121.6146.6171.3-60.60000110.8L27 L129 L131 P233 V236 V237 L240V25-L27 HydrophobicContact CG2-CD1 4.19Å; V25-L27 HydrophobicContact CG2-CG 4.15Å; V25-L129 CarbonylContact C-O 3.59Å; V25-L129 VanDerWaalsContact CA-O 3.22Å; V25-L129 WeakPolarHBondContact CA-O 3.3Å; V25-L129 HydrophobicContact CG1-CB 4.28Å; V25-L131 HydrophobicContact CB-CD1 4.17Å; V25-L131 HydrophobicContact CG1-CD1 3.62Å; V25-L131 HydrophobicContact CG1-CG 4.38Å; V25-P233 HydrophobicContact CG2-CB 3.66Å; V25-P233 WeakPolarHBondContact CG2-O 3.47Å; V25-V236 HydrophobicContact CG1-CG1 4.18Å; V25-V236 HydrophobicContact CG2-CB 3.96Å; V25-V236 HydrophobicContact CG2-CG1 4.07Å; V25-V237 HydrophobicContact CB-CG2 4.47Å; V25-V237 HydrophobicContact CG1-CG2 3.8Å; V25-V237 HydrophobicContact CG2-CG2 4.22Å; V25-L240 HydrophobicContact CG1-CD1 4.27Å
26E96.4Very high96.5Very high38 Ų3852.3 Ų52.318%0.17825%0.253CS..EExtended strand (participates in β ladder)trans-115117.4166.1-172.1-172.5-179.300107.8R30 F31 T128 L129 R130 L131E26-R30 IonicContact OE1-CZ 3.27Å; E26-R30 IonicContact OE1-NH1 3.48Å; E26-R30 IonicContact OE1-NH2 3.96Å; E26-R30 PolarHBondContact OE1-NH2 3.05Å; E26-R30 IonicContact OE2-NH2 2.84Å; E26-F31 HydrophobicContact CB-CE2 4.27Å; E26-F31 HydrophobicContact CG-CE2 3.92Å; E26-F31 HydrophobicContact CG-CZ 4.3Å; E26-F31 WeakPolarHBondContact O-CE2 3.5Å; E26-T128 HydrophobicContact CB-CG2 4.07Å; E26-L129 PolarHBondContact N-O 2.73Å; E26-R130 HydrophobicContact CB-CG 4.08Å; E26-R130 WeakPolarHBondContact O-CA 3.44Å; E26-R130 WeakPolarHBondContact OE2-CG 3.27Å; E26-R130 IonicContact OE2-NE 2.69Å; E26-R130 PolarHBondContact OE2-NE 3.33Å; E26-L131 PolarHBondContact O-N 3.41Å
27L96Very high96.7Very high12 Ų1254.1 Ų54.16%0.06326%0.263CS..EExtended strand (participates in β ladder)trans-106.5128.6-174.1-70.7165.9000110.4V25 L131 L226 M229 Q230 V236V25-L27 HydrophobicContact CG2-CD1 4.19Å; V25-L27 HydrophobicContact CG2-CG 4.15Å; L27-L131 WeakPolarHBondContact CA-O 3.46Å; L27-L131 HydrophobicContact CD2-CB 3.73Å; L27-L226 HydrophobicContact CB-CD2 3.98Å; L27-L226 HydrophobicContact CD2-CD2 3.67Å; L27-L226 HydrophobicContact CG-CD2 4.3Å; L27-M229 HydrophobicContact CD1-CB 3.67Å; L27-Q230 HydrophobicContact CB-CG 3.8Å; L27-Q230 PolarHBondContact O-NE2 3.12Å; L27-V236 HydrophobicContact CD1-CB 4.45Å; L27-V236 HydrophobicContact CD1-CG2 3.76Å
28S95.6Very high96.6Very high19 Ų1959.8 Ų59.813%0.13329%0.292CS..  trans-164.5142.9177.7-174.70000112.3R30 F31 L131 L226S28-R30 PolarHBondContact O-N 3.14Å; S28-R30 VanDerWaalsContact O-N 3.14Å; S28-R30 WeakPolarHBondContact OG-CG 3.45Å; S28-R30 PolarHBondContact OG-N 3.12Å; S28-R30 PolarHBondContact OG-NH1 2.74Å; S28-F31 VanDerWaalsContact O-CB 3.28Å; S28-F31 WeakPolarHBondContact O-CB 3.47Å; S28-F31 PolarHBondContact O-N 3.06Å; S28-L131 PolarHBondContact N-O 3.16Å; S28-L226 VanDerWaalsContact C-CD1 3.44Å
29D95.1Very high96.6Very high93 Ų9360 Ų6050%0.49729%0.293SS..G310 helixtrans-60.8-22.8175.4-63.9-58.1000112.9F31 N32 L226D29-F31 PolarHBondContact O-N 3.23Å; D29-F31 VanDerWaalsContact O-N 3.14Å; D29-N32 WeakPolarHBondContact O-CB 3.21Å; D29-N32 VanDerWaalsContact O-CG 3.26Å; D29-N32 PolarHBondContact O-N 3.07Å; D29-N32 PolarHBondContact OD1-ND2 3.12Å; D29-L226 WeakPolarHBondContact OD1-CD1 3.23Å
30R95.8Very high96.7Very high140 Ų14055 Ų5553%0.52828%0.277SS..G310 helixtrans-64.3-16.5173.482-168.3-175.7-102.18.8113.2E26 S28E26-R30 IonicContact OE1-CZ 3.27Å; E26-R30 IonicContact OE1-NH1 3.48Å; E26-R30 IonicContact OE1-NH2 3.96Å; E26-R30 PolarHBondContact OE1-NH2 3.05Å; E26-R30 IonicContact OE2-NH2 2.84Å; S28-R30 PolarHBondContact O-N 3.14Å; S28-R30 VanDerWaalsContact O-N 3.14Å; S28-R30 WeakPolarHBondContact OG-CG 3.45Å; S28-R30 PolarHBondContact OG-N 3.12Å; S28-R30 PolarHBondContact OG-NH1 2.74Å
31F97.4Very high96.7Very high7 Ų757.2 Ų57.23%0.03129%0.287CS..G310 helixtrans-91.70175-55.9-36.8000112.4E26 S28 D29 R64 H66 R130 L131E26-F31 HydrophobicContact CB-CE2 4.27Å; E26-F31 HydrophobicContact CG-CE2 3.92Å; E26-F31 HydrophobicContact CG-CZ 4.3Å; E26-F31 WeakPolarHBondContact O-CE2 3.5Å; S28-F31 VanDerWaalsContact O-CB 3.28Å; S28-F31 WeakPolarHBondContact O-CB 3.47Å; S28-F31 PolarHBondContact O-N 3.06Å; D29-F31 PolarHBondContact O-N 3.23Å; D29-F31 VanDerWaalsContact O-N 3.14Å; F31-R64 PolarHBondContact O-NH1 3Å; F31-H66 HydrophobicContact CB-CB 3.65Å; F31-H66 HydrophobicContact CD1-CB 4.05Å; F31-H66 AromaticContact CD1-CD2 3.88Å; F31-H66 AromaticContact CD1-CG 3.62Å; F31-H66 AromaticContact CD1-ND1 3.75Å; F31-H66 HydrophobicContact CG-CB 4.03Å; F31-R130 HydrophobicContact CD1-CB 4.29Å; F31-R130 HydrophobicContact CD2-CB 3.96Å; F31-R130 HydrophobicContact CE1-CB 4.04Å; F31-R130 HydrophobicContact CE1-CG 4.16Å; F31-R130 HydrophobicContact CE2-CB 3.69Å; F31-R130 HydrophobicContact CE2-CG 3.84Å; F31-R130 HydrophobicContact CG-CB 4.25Å; F31-R130 HydrophobicContact CZ-CB 3.73Å; F31-R130 HydrophobicContact CZ-CG 3.57Å; F31-L131 WeakPolarHBondContact CD2-O 3.39Å
32N97.8Very high96.8Very high42 Ų4252.5 Ų52.523%0.22527%0.265CS..SBendtrans-72168.5172.9-60.8-6.9000110.5D29 G132 L133D29-N32 WeakPolarHBondContact O-CB 3.21Å; D29-N32 VanDerWaalsContact O-CG 3.26Å; D29-N32 PolarHBondContact O-N 3.07Å; D29-N32 PolarHBondContact OD1-ND2 3.12Å; N32-G132 WeakPolarHBondContact OD1-CA 3.39Å; N32-L133 PolarHBondContact OD1-N 3.06Å
33R97.8Very high96.9Very high24 Ų2450.8 Ų50.89%0.09126%0.257CS..PPolyproline II helixtrans-63.4137.4173.9-179.4-176.458.380.2-5.5109.9T35 E40 I43 D138 A164 L165 L166R33-T35 VanDerWaalsContact NH1-CB 3.33Å; R33-T35 PolarHBondContact NH1-OG1 3.22Å; R33-E40 IonicContact CZ-OE1 3.47Å; R33-E40 IonicContact NH1-OE1 2.68Å; R33-E40 PolarHBondContact NH1-OE1 3.36Å; R33-E40 IonicContact NH2-OE1 3.79Å; R33-E40 PolarHBondContact NH2-OE1 3.02Å; R33-E40 IonicContact NH2-OE2 3.68Å; R33-I43 VanDerWaalsContact NH2-CD1 3.32Å; R33-D138 IonicContact CZ-OD2 3.37Å; R33-D138 IonicContact NE-OD2 3.95Å; R33-D138 PolarHBondContact NE-OD2 3.13Å; R33-D138 IonicContact NH2-OD1 2.81Å; R33-D138 IonicContact NH2-OD2 3.9Å; R33-D138 PolarHBondContact NH2-OD2 3.16Å; R33-A164 WeakPolarHBondContact CG-O 3.42Å; R33-L165 VanDerWaalsContact CD-O 3.26Å; R33-L165 WeakPolarHBondContact CD-O 3.32Å; R33-L166 VanDerWaalsContact CD-C 3.48Å; R33-L166 WeakPolarHBondContact CG-O 3.44Å
34Q98.1Very high97Very high84 Ų8453.9 Ų53.939%0.39327%0.273SS..PPolyproline II helixtrans-69.9145.1168.8-65.1-63.7-18.700109.8F159 A164 L165Q34-F159 HydrophobicContact CB-CD1 4.19Å; Q34-F159 HydrophobicContact CB-CD2 4.32Å; Q34-F159 HydrophobicContact CB-CE1 3.87Å; Q34-F159 HydrophobicContact CB-CE2 4.05Å; Q34-F159 HydrophobicContact CB-CG 4.4Å; Q34-F159 HydrophobicContact CB-CZ 3.81Å; Q34-F159 HydrophobicContact CG-CD1 3.76Å; Q34-F159 HydrophobicContact CG-CE1 3.83Å; Q34-F159 HydrophobicContact CG-CG 4.12Å; Q34-F159 HydrophobicContact CG-CZ 4.28Å; Q34-A164 HydrophobicContact CB-CB 4.31Å; Q34-A164 HydrophobicContact CG-CB 4.09Å; Q34-A164 PolarHBondContact N-O 3.16Å; Q34-L165 HydrophobicContact CB-CD2 3.96Å; Q34-L165 VanDerWaalsContact O-CD2 3.26Å; Q34-L165 WeakPolarHBondContact O-CD2 3.31Å
35T96.3Very high97Very high67 Ų6757.2 Ų57.241%0.41129%0.289SS..  trans-148.5162.4-175.8-158.20000114R33 E40R33-T35 VanDerWaalsContact NH1-CB 3.33Å; R33-T35 PolarHBondContact NH1-OG1 3.22Å; T35-E40 WeakPolarHBondContact CB-OE1 3.38Å; T35-E40 HydrophobicContact CG2-CG 4.36Å; T35-E40 WeakPolarHBondContact OG1-CG 3.38Å; T35-E40 PolarHBondContact OG1-OE1 3.39Å
36D95.9Very high97Very high33 Ų3358 Ų5818%0.17629%0.293CS..  trans-145.6164176.370.971.8000110.1L38 L39 E40 R154D36-L38 VanDerWaalsContact C-N 3.28Å; D36-L38 PolarHBondContact O-N 2.89Å; D36-L38 WeakPolarHBondContact OD1-CA 3.3Å; D36-L38 VanDerWaalsContact OD1-CB 3.29Å; D36-L38 WeakPolarHBondContact OD1-CB 3.17Å; D36-L38 PolarHBondContact OD1-N 3.31Å; D36-L39 PolarHBondContact O-N 3.16Å; D36-L39 PolarHBondContact OD1-N 3.47Å; D36-E40 PolarHBondContact O-N 3.48Å; D36-R154 IonicContact OD2-CZ 3.47Å; D36-R154 IonicContact OD2-NH1 2.88Å; D36-R154 IonicContact OD2-NH2 3.12Å; D36-R154 PolarHBondContact OD2-NH2 3.05Å
37P97.6Very high97Very high111 Ų11157.4 Ų57.472%0.72129%0.29SS*.Hα-helixtrans-58.3-32.9-177.1-27.636.3000115.5Q41P37-Q41 WeakPolarHBondContact O-CB 3.39Å; P37-Q41 PolarHBondContact O-N 2.8Å
38L96.3Very high97Very high124 Ų12461.3 Ų61.365%0.64931%0.314SS*.Hα-helixtrans-72.7-42.2-180-63173.2000110.5D36 Q41 H42D36-L38 VanDerWaalsContact C-N 3.28Å; D36-L38 PolarHBondContact O-N 2.89Å; D36-L38 WeakPolarHBondContact OD1-CA 3.3Å; D36-L38 VanDerWaalsContact OD1-CB 3.29Å; D36-L38 WeakPolarHBondContact OD1-CB 3.17Å; D36-L38 PolarHBondContact OD1-N 3.31Å; L38-Q41 PolarHBondContact O-N 3.11Å; L38-H42 PolarHBondContact O-N 2.97Å
39L97.3Very high97.1Very high4 Ų464.9 Ų64.92%0.02133%0.329CS..Hα-helixtrans-62.3-45.1175.3-179.452.8000111.5D36 Q41 H42 I43 T142 L151 L165D36-L39 PolarHBondContact O-N 3.16Å; D36-L39 PolarHBondContact OD1-N 3.47Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 3.5Å; L39-H42 WeakPolarHBondContact O-CB 3.46Å; L39-H42 PolarHBondContact O-N 3.38Å; L39-I43 HydrophobicContact CD1-CD1 4.08Å; L39-I43 HydrophobicContact CD1-CG1 4.22Å; L39-I43 HydrophobicContact CG-CD1 4Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 2.91Å; L39-T142 HydrophobicContact CD1-CG2 4.27Å; L39-L151 HydrophobicContact CD1-CD1 4.37Å; L39-L151 HydrophobicContact CD1-CD2 3.64Å; L39-L151 HydrophobicContact CD2-CD2 4.48Å; L39-L165 HydrophobicContact CD2-CB 4.06Å; L39-L165 HydrophobicContact CD2-CD2 3.93Å; L39-L165 HydrophobicContact CD2-CG 4.44Å
40E98.2Very high97Very high56 Ų5663.2 Ų63.226%0.26232%0.315SS..Hα-helixtrans-63.5-38.4176.4-68-53.1138.400112.2R33 T35 D36 H42 I43 N44R33-E40 IonicContact CZ-OE1 3.47Å; R33-E40 IonicContact NH1-OE1 2.68Å; R33-E40 PolarHBondContact NH1-OE1 3.36Å; R33-E40 IonicContact NH2-OE1 3.79Å; R33-E40 PolarHBondContact NH2-OE1 3.02Å; R33-E40 IonicContact NH2-OE2 3.68Å; T35-E40 WeakPolarHBondContact CB-OE1 3.38Å; T35-E40 HydrophobicContact CG2-CG 4.36Å; T35-E40 WeakPolarHBondContact OG1-CG 3.38Å; T35-E40 PolarHBondContact OG1-OE1 3.39Å; D36-E40 PolarHBondContact O-N 3.48Å; E40-H42 VanDerWaalsContact C-N 3.34Å; E40-H42 PolarHBondContact O-N 3.44Å; E40-I43 PolarHBondContact O-N 3.02Å; E40-N44 WeakPolarHBondContact O-CB 3.25Å; E40-N44 VanDerWaalsContact O-CG 3.29Å; E40-N44 PolarHBondContact O-N 3.04Å; E40-N44 PolarHBondContact O-ND2 3.31Å
41Q97.9Very high96.9Very high127 Ų12759 Ų5959%0.59330%0.303SS*.Hα-helixtrans-60.6-44.5174.6-176.9178.6-8.400111.4P37 L38 L39 N44 Q45P37-Q41 WeakPolarHBondContact O-CB 3.39Å; P37-Q41 PolarHBondContact O-N 2.8Å; L38-Q41 PolarHBondContact O-N 3.11Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 3.5Å; Q41-N44 PolarHBondContact O-N 3.15Å; Q41-Q45 PolarHBondContact O-N 3.5Å
42H97Very high96.9Very high31 Ų3163.1 Ų63.114%0.14433%0.333CS..Hα-helixtrans-61-50.2176.317862.9000112.5L38 L39 E40 N44 Q45 V46 S145 E147L38-H42 PolarHBondContact O-N 2.97Å; L39-H42 WeakPolarHBondContact O-CB 3.46Å; L39-H42 PolarHBondContact O-N 3.38Å; E40-H42 VanDerWaalsContact C-N 3.34Å; E40-H42 PolarHBondContact O-N 3.44Å; H42-N44 VanDerWaalsContact C-N 3.27Å; H42-N44 PolarHBondContact O-N 3.09Å; H42-Q45 WeakPolarHBondContact O-CB 3.41Å; H42-Q45 PolarHBondContact O-N 3.45Å; H42-V46 WeakPolarHBondContact O-CG2 3.37Å; H42-V46 PolarHBondContact O-N 3.44Å; H42-S145 PolarHBondContact NE2-OG 3.12Å; H42-E147 IonicContact CE1-OE1 3.87Å; H42-E147 PolarHBondContact CE1-OE1 3.31Å; H42-E147 IonicContact ND1-OE1 3.98Å; H42-E147 IonicContact NE2-OE1 3.19Å
43I98.3Very high96.7Very high1 Ų168.4 Ų68.41%0.00535%0.354CS..Hα-helixtrans-57.8-43178.5-66167.3000110.5R33 L39 E40 Q45 V46 W47 K137 T142R33-I43 VanDerWaalsContact NH2-CD1 3.32Å; L39-I43 HydrophobicContact CD1-CD1 4.08Å; L39-I43 HydrophobicContact CD1-CG1 4.22Å; L39-I43 HydrophobicContact CG-CD1 4Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 2.91Å; E40-I43 PolarHBondContact O-N 3.02Å; I43-Q45 PolarHBondContact O-N 3.25Å; I43-V46 PolarHBondContact O-N 3.4Å; I43-W47 WeakPolarHBondContact O-CB 3.33Å; I43-W47 PolarHBondContact O-N 3.22Å; I43-K137 HydrophobicContact CG2-CG 3.88Å; I43-T142 HydrophobicContact CD1-CG2 3.82Å; I43-T142 HydrophobicContact CG1-CG2 4.17Å
44N98Very high96.4Very high70 Ų7070.3 Ų70.337%0.37436%0.364SS..Hα-helixtrans-62.8-40.4176.3-77.6-51.6000112.6E40 Q41 H42 T48 K137E40-N44 WeakPolarHBondContact O-CB 3.25Å; E40-N44 VanDerWaalsContact O-CG 3.29Å; E40-N44 PolarHBondContact O-N 3.04Å; E40-N44 PolarHBondContact O-ND2 3.31Å; Q41-N44 PolarHBondContact O-N 3.15Å; H42-N44 VanDerWaalsContact C-N 3.27Å; H42-N44 PolarHBondContact O-N 3.09Å; N44-T48 WeakPolarHBondContact O-CB 3.44Å; N44-T48 PolarHBondContact O-N 3.27Å; N44-T48 PolarHBondContact O-OG1 2.83Å; N44-K137 WeakPolarHBondContact OD1-CE 3.3Å; N44-K137 PolarHBondContact OD1-NZ 3.32Å
45Q97.3Very high96.1Very high103 Ų10370.9 Ų70.948%0.48138%0.375SS..Hα-helixtrans-64.1-51.2176.5-178.9177.2-11.300111.1Q41 H42 I43 W47 T48 E49Q41-Q45 PolarHBondContact O-N 3.5Å; H42-Q45 WeakPolarHBondContact O-CB 3.41Å; H42-Q45 PolarHBondContact O-N 3.45Å; I43-Q45 PolarHBondContact O-N 3.25Å; Q45-W47 VanDerWaalsContact C-N 3.26Å; Q45-W47 PolarHBondContact O-N 2.67Å; Q45-T48 PolarHBondContact O-N 3.38Å; Q45-T48 VanDerWaalsContact O-N 3.15Å; Q45-E49 HydrophobicContact CG-CG 4.46Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.47Å; Q45-E49 PolarHBondContact NE2-OE1 3.06Å; Q45-E49 WeakPolarHBondContact O-CG 3.45Å; Q45-E49 PolarHBondContact O-N 3.45Å
46V96.7Very high95.8Very high31 Ų3176.3 Ų76.319%0.18839%0.388CS..Hα-helixtrans-55.4-43.9177.91720000111H42 I43 R50 L140H42-V46 WeakPolarHBondContact O-CG2 3.37Å; H42-V46 PolarHBondContact O-N 3.44Å; I43-V46 PolarHBondContact O-N 3.4Å; V46-R50 VanDerWaalsContact O-CB 3.29Å; V46-R50 WeakPolarHBondContact O-CB 3.4Å; V46-R50 PolarHBondContact O-N 3.23Å; V46-L140 HydrophobicContact CG1-CB 4.47Å
47W96.6Very high95.5Very high27 Ų2776.6 Ų76.610%0.10239%0.389CS..Hα-helixtrans-65.8-43.9178-174.4-114.7000113.2I43 Q45 R50 L51 L57 N59 Y136 K137 L140I43-W47 WeakPolarHBondContact O-CB 3.33Å; I43-W47 PolarHBondContact O-N 3.22Å; Q45-W47 VanDerWaalsContact C-N 3.26Å; Q45-W47 PolarHBondContact O-N 2.67Å; W47-R50 WeakPolarHBondContact O-CB 3.4Å; W47-R50 PolarHBondContact O-N 3.13Å; W47-L51 HydrophobicContact CD2-CD1 4.49Å; W47-L51 HydrophobicContact CD2-CG 4.34Å; W47-L51 HydrophobicContact CH2-CD2 4.29Å; W47-L51 HydrophobicContact CZ2-CD1 4.11Å; W47-L51 HydrophobicContact CZ2-CD2 3.83Å; W47-L51 HydrophobicContact CZ2-CG 4.04Å; W47-L51 VanDerWaalsContact NE1-CD1 3.28Å; W47-L51 WeakPolarHBondContact O-CG 3.23Å; W47-L51 PolarHBondContact O-N 2.93Å; W47-L57 HydrophobicContact CH2-CB 4.24Å; W47-N59 HydrophobicContact CH2-CB 4.42Å; W47-N59 HydrophobicContact CZ2-CB 4.06Å; W47-Y136 HydrophobicContact CH2-CD1 4.15Å; W47-Y136 HydrophobicContact CH2-CE1 4.49Å; W47-Y136 AromaticContact CZ3-CD1 3.89Å; W47-Y136 HydrophobicContact CZ3-CD1 3.89Å; W47-Y136 HydrophobicContact CZ3-CE1 4.05Å; W47-K137 HydrophobicContact CB-CD 4.05Å; W47-K137 HydrophobicContact CB-CG 3.8Å; W47-K137 HydrophobicContact CD2-CB 4.01Å; W47-K137 HydrophobicContact CD2-CD 4.07Å; W47-K137 HydrophobicContact CD2-CG 3.79Å; W47-K137 HydrophobicContact CE3-CB 3.99Å; W47-K137 HydrophobicContact CE3-CG 4.1Å; W47-K137 HydrophobicContact CG-CB 4.38Å; W47-K137 HydrophobicContact CG-CD 3.66Å; W47-K137 HydrophobicContact CG-CG 3.64Å; W47-K137 HydrophobicContact CZ3-CB 4.46Å; W47-L140 HydrophobicContact CE3-CD1 4.05Å; W47-L140 HydrophobicContact CZ3-CD1 3.88Å
48T97.1Very high95.2Very high93 Ų9378.3 Ų78.357%0.57139%0.386SS*.Hα-helixtrans-63.5-44.9179-58.40000110.9N44 Q45 R50 L51 S52N44-T48 WeakPolarHBondContact O-CB 3.44Å; N44-T48 PolarHBondContact O-N 3.27Å; N44-T48 PolarHBondContact O-OG1 2.83Å; Q45-T48 PolarHBondContact O-N 3.38Å; Q45-T48 VanDerWaalsContact O-N 3.15Å; T48-R50 VanDerWaalsContact C-N 3.32Å; T48-R50 PolarHBondContact O-N 3.34Å; T48-L51 PolarHBondContact O-N 3.19Å; T48-S52 PolarHBondContact O-N 3.16Å
49E95.9Very high95.1Very high94 Ų9474.9 Ų74.944%0.43937%0.368SS..Hα-helixtrans-60.9-41.3174.4-72178.7-164.500111.8Q45 S52Q45-E49 HydrophobicContact CG-CG 4.46Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.47Å; Q45-E49 PolarHBondContact NE2-OE1 3.06Å; Q45-E49 WeakPolarHBondContact O-CG 3.45Å; Q45-E49 PolarHBondContact O-N 3.45Å; E49-S52 PolarHBondContact O-N 2.93Å; E49-S52 PolarHBondContact O-OG 3.24Å
50R94.1Very high94.9Very high58 Ų5874.9 Ų74.922%0.21937%0.369CS..Hα-helixtrans-61.2-51.5175178.557.46210212.6112.1V46 W47 T48 S52 K53 E54 L57 L140V46-R50 VanDerWaalsContact O-CB 3.29Å; V46-R50 WeakPolarHBondContact O-CB 3.4Å; V46-R50 PolarHBondContact O-N 3.23Å; W47-R50 WeakPolarHBondContact O-CB 3.4Å; W47-R50 PolarHBondContact O-N 3.13Å; T48-R50 VanDerWaalsContact C-N 3.32Å; T48-R50 PolarHBondContact O-N 3.34Å; R50-S52 PolarHBondContact O-N 3.02Å; R50-K53 PolarHBondContact O-N 3.11Å; R50-E54 WeakPolarHBondContact CD-OE2 3.23Å; R50-E54 IonicContact CZ-OE2 3.56Å; R50-E54 IonicContact NE-OE2 3.57Å; R50-E54 IonicContact NH1-OE2 3.4Å; R50-E54 PolarHBondContact NH1-OE2 3.29Å; R50-E54 PolarHBondContact O-N 3.38Å; R50-L57 HydrophobicContact CG-CD1 3.5Å; R50-L140 HydrophobicContact CG-CD1 4.18Å
51L94.3Very high94.8Very high53 Ų5372.8 Ų72.828%0.27736%0.361SS..Hα-helixtrans-61.6-30.6178.6-74-178.3000113.1W47 T48 K53 E54 P55 L57W47-L51 HydrophobicContact CD2-CD1 4.49Å; W47-L51 HydrophobicContact CD2-CG 4.34Å; W47-L51 HydrophobicContact CH2-CD2 4.29Å; W47-L51 HydrophobicContact CZ2-CD1 4.11Å; W47-L51 HydrophobicContact CZ2-CD2 3.83Å; W47-L51 HydrophobicContact CZ2-CG 4.04Å; W47-L51 VanDerWaalsContact NE1-CD1 3.28Å; W47-L51 WeakPolarHBondContact O-CG 3.23Å; W47-L51 PolarHBondContact O-N 2.93Å; T48-L51 PolarHBondContact O-N 3.19Å; L51-K53 PolarHBondContact O-N 3.49Å; L51-E54 CarbonylContact O-C 3.53Å; L51-E54 PolarHBondContact O-N 3.24Å; L51-P55 VanDerWaalsContact O-CA 3.27Å; L51-P55 WeakPolarHBondContact O-CA 3.35Å; L51-L57 HydrophobicContact CD2-CB 3.99Å; L51-L57 WeakPolarHBondContact CD2-O 3.45Å
52S96.1Very high94.7Very high92 Ų9268 Ų6864%0.64334%0.338SS*.Hα-helixtrans-62.6-27.2174.680.30000113.5T48 E49 R50T48-S52 PolarHBondContact O-N 3.16Å; E49-S52 PolarHBondContact O-N 2.93Å; E49-S52 PolarHBondContact O-OG 3.24Å; R50-S52 PolarHBondContact O-N 3.02Å
53K94.3Very high94.8Very high154 Ų15466.6 Ų66.667%0.6733%0.332SS*.Hα-helixtrans-95.6-36.6179.8-62.8175.9-173.4171.90111.3R50 L51R50-K53 PolarHBondContact O-N 3.11Å; L51-K53 PolarHBondContact O-N 3.49Å
54E91.9Very high94.8Very high64 Ų6466.9 Ų66.930%0.29933%0.333SS..  trans-13172.2-173-59.6-179113.800109.9R50 L51 W56 L57R50-E54 WeakPolarHBondContact CD-OE2 3.23Å; R50-E54 IonicContact CZ-OE2 3.56Å; R50-E54 IonicContact NE-OE2 3.57Å; R50-E54 IonicContact NH1-OE2 3.4Å; R50-E54 PolarHBondContact NH1-OE2 3.29Å; R50-E54 PolarHBondContact O-N 3.38Å; L51-E54 CarbonylContact O-C 3.53Å; L51-E54 PolarHBondContact O-N 3.24Å; E54-W56 HydrophobicContact CB-CD2 4.43Å; E54-W56 HydrophobicContact CB-CH2 4.06Å; E54-W56 HydrophobicContact CB-CZ2 3.7Å; E54-W56 HydrophobicContact CG-CH2 3.96Å; E54-W56 HydrophobicContact CG-CZ2 3.65Å; E54-W56 PolarHBondContact O-N 2.9Å; E54-W56 VanDerWaalsContact O-N 3.09Å; E54-L57 HydrophobicContact CB-CD1 3.6Å; E54-L57 HydrophobicContact CB-CG 3.83Å; E54-L57 HydrophobicContact CG-CD1 4.44Å; E54-L57 WeakPolarHBondContact O-CB 3.32Å; E54-L57 PolarHBondContact O-N 3.48Å; E54-L57 VanDerWaalsContact O-N 3.11Å
55P91.8Very high94.8Very high96 Ų9664 Ų6462%0.62332%0.318SS*.THydrogen-bonded Turntrans-68.7-9.9-171.727.4-37.1000114.3L51 L57L51-P55 VanDerWaalsContact O-CA 3.27Å; L51-P55 WeakPolarHBondContact O-CA 3.35Å; P55-L57 VanDerWaalsContact C-N 3.35Å
56W90Very high94.8Very high180 Ų18062.9 Ų62.968%0.68231%0.312SS*.THydrogen-bonded Turntrans-83.1-10175.25983.2000113.3E54E54-W56 HydrophobicContact CB-CD2 4.43Å; E54-W56 HydrophobicContact CB-CH2 4.06Å; E54-W56 HydrophobicContact CB-CZ2 3.7Å; E54-W56 HydrophobicContact CG-CH2 3.96Å; E54-W56 HydrophobicContact CG-CZ2 3.65Å; E54-W56 PolarHBondContact O-N 2.9Å; E54-W56 VanDerWaalsContact O-N 3.09Å
57L90Very high94.9Very high40 Ų4062.6 Ų62.621%0.20931%0.311CS..  trans-67.4142.8176.4-69.6174.4000110.8W47 R50 L51 E54 P55W47-L57 HydrophobicContact CH2-CB 4.24Å; R50-L57 HydrophobicContact CG-CD1 3.5Å; L51-L57 HydrophobicContact CD2-CB 3.99Å; L51-L57 WeakPolarHBondContact CD2-O 3.45Å; E54-L57 HydrophobicContact CB-CD1 3.6Å; E54-L57 HydrophobicContact CB-CG 3.83Å; E54-L57 HydrophobicContact CG-CD1 4.44Å; E54-L57 WeakPolarHBondContact O-CB 3.32Å; E54-L57 PolarHBondContact O-N 3.48Å; E54-L57 VanDerWaalsContact O-N 3.11Å; P55-L57 VanDerWaalsContact C-N 3.35Å
58F91.1Very high94.9Very high147 Ų14763.6 Ų63.665%0.64532%0.317SS*.  trans-123.1156.717263.8-86000109.7
59N93.6Very high94.8Very high52 Ų5260.7 Ų60.728%0.27830%0.3SS..  trans-87.2136.7172.7-17027.5000109.1W47 C135 Y136 K137W47-N59 HydrophobicContact CH2-CB 4.42Å; W47-N59 HydrophobicContact CZ2-CB 4.06Å; N59-C135 PolarHBondContact ND2-SG 2.8Å; N59-C135 VanDerWaalsContact ND2-SG 3.36Å; N59-C135 WeakPolarHBondContact OD1-CB 3.48Å; N59-Y136 PolarHBondContact OD1-N 2.86Å; N59-K137 HydrophobicContact CB-CB 4.45Å; N59-K137 VanDerWaalsContact OD1-CB 3.31Å; N59-K137 WeakPolarHBondContact OD1-CB 3.22Å; N59-K137 PolarHBondContact OD1-N 3.5Å
60G93.6Very high94.7Very high4 Ų459.7 Ų59.74%0.04130%0.297CS..  trans-126.4135.7175.700000110.9C135 Y136G60-C135 CarbonylContact O-C 3.49Å; G60-C135 WeakPolarHBondContact O-CA 3.28Å; G60-C135 WeakPolarHBondContact O-CB 3.42Å; G60-Y136 PolarHBondContact O-N 3.2Å
61A94.8Very high94.4Very high12 Ų1257.4 Ų57.410%0.09929%0.29CS..EExtended strand (participates in β ladder)trans-65.1145.317300000110.9P208 E221 I224A61-P208 HydrophobicContact CB-CB 4.44Å; A61-P208 HydrophobicContact CB-CG 4.23Å; A61-P208 VanDerWaalsContact O-CD 3.31Å; A61-P208 WeakPolarHBondContact O-CD 3.48Å; A61-E221 WeakPolarHBondContact CB-OE2 3.41Å; A61-E221 PolarHBondContact N-OE2 2.81Å; A61-I224 HydrophobicContact CB-CB 4.49Å; A61-I224 HydrophobicContact CB-CD1 3.64Å; A61-I224 HydrophobicContact CB-CG2 4.18Å
62K97.1Very high93.2Very high27 Ų2757.3 Ų57.312%0.11729%0.294CS..EExtended strand (participates in β ladder)trans-140.2154.2180-60.1-63.9179.6-173.20110T134 P169 H205 E207K62-T134 HydrophobicContact CB-CG2 4.06Å; K62-T134 PolarHBondContact N-O 3.19Å; K62-T134 PolarHBondContact O-N 3.47Å; K62-T134 VanDerWaalsContact O-O 3.13Å; K62-P169 HydrophobicContact CB-CB 3.98Å; K62-P169 HydrophobicContact CG-CB 4.43Å; K62-H205 HydrophobicContact CD-CB 3.81Å; K62-E207 IonicContact NZ-OE1 2.71Å; K62-E207 PolarHBondContact NZ-OE1 3.35Å
63F98.1Very high91.4Very high0 Ų058.2 Ų58.20%030%0.298CS..EExtended strand (participates in β ladder)trans-72.9139169.6-66.2-71.9000110.5L131 L133 P169 L170 P206 P208 V211 M229 V236 E239 L240F63-L131 HydrophobicContact CD1-CD1 4.41Å; F63-L133 HydrophobicContact CD1-CD2 4.18Å; F63-L133 HydrophobicContact CE1-CD2 4.39Å; F63-P169 CarbonylContact O-C 3.47Å; F63-P169 WeakPolarHBondContact O-CA 3.34Å; F63-L170 HydrophobicContact CB-CB 4.46Å; F63-L170 PolarHBondContact O-N 3.34Å; F63-P206 HydrophobicContact CD2-CB 4.11Å; F63-P206 HydrophobicContact CD2-CG 4.18Å; F63-P206 HydrophobicContact CE2-CB 4.32Å; F63-P208 HydrophobicContact CD1-CG 4.09Å; F63-P208 HydrophobicContact CD2-CG 4.05Å; F63-P208 HydrophobicContact CE1-CB 4.22Å; F63-P208 HydrophobicContact CE1-CG 3.92Å; F63-P208 HydrophobicContact CE2-CB 4.39Å; F63-P208 HydrophobicContact CE2-CG 3.88Å; F63-P208 HydrophobicContact CG-CG 4.15Å; F63-P208 HydrophobicContact CZ-CB 3.98Å; F63-P208 HydrophobicContact CZ-CG 3.81Å; F63-V211 HydrophobicContact CZ-CG2 4.05Å; F63-M229 HydrophobicContact CE1-CE 4.44Å; F63-M229 HydrophobicContact CE1-SD 3.75Å; F63-M229 HydrophobicContact CZ-SD 3.96Å; F63-V236 HydrophobicContact CD1-CG1 4.35Å; F63-V236 HydrophobicContact CE1-CG1 3.69Å; F63-V236 HydrophobicContact CE1-CG2 4.31Å; F63-V236 HydrophobicContact CE2-CG1 4.45Å; F63-V236 HydrophobicContact CZ-CG1 3.75Å; F63-V236 HydrophobicContact CZ-CG2 4.31Å; F63-E239 HydrophobicContact CE2-CG 4.1Å; F63-L240 HydrophobicContact CD2-CD2 4.38Å
64R98.3Very high89.5Confident7 Ų759.1 Ų59.13%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-104.1122.1172.1175.9172.3-170-80.1-0.5109.5F31 H66 L131 G132 T134 L163 L166 A167 Q168F31-R64 PolarHBondContact O-NH1 3Å; R64-H66 PolarHBondContact O-N 3.14Å; R64-L131 CarbonylContact O-C 3.6Å; R64-L131 VanDerWaalsContact O-CA 3.3Å; R64-L131 WeakPolarHBondContact O-CA 3.36Å; R64-G132 PolarHBondContact N-O 3.26Å; R64-G132 PolarHBondContact O-N 3.27Å; R64-T134 HydrophobicContact CB-CG2 4.05Å; R64-L163 PolarHBondContact NH2-O 3.15Å; R64-L166 PolarHBondContact NE-O 2.8Å; R64-L166 VanDerWaalsContact NE-O 3.11Å; R64-L166 PolarHBondContact NH2-O 2.98Å; R64-A167 WeakPolarHBondContact CD-O 3.25Å; R64-A167 WeakPolarHBondContact CG-O 3.25Å; R64-A167 PolarHBondContact NE-O 3.45Å; R64-Q168 HydrophobicContact CG-CB 4.32Å
65L98.4Very high87.4Confident11 Ų1162.4 Ų62.46%0.05832%0.324CS..EExtended strand (participates in β ladder)trans-79.4121.1171.7179.567.8000109.6L9 L129 L131 Q168 L170 I267 P277L9-L65 HydrophobicContact CD2-CD2 3.9Å; L65-L129 HydrophobicContact CD1-CD2 4.3Å; L65-L131 HydrophobicContact CB-CD2 4.38Å; L65-L131 HydrophobicContact CD1-CD2 3.81Å; L65-Q168 PolarHBondContact N-O 2.91Å; L65-L170 HydrophobicContact CB-CB 4.33Å; L65-L170 HydrophobicContact CB-CD1 4.25Å; L65-L170 HydrophobicContact CD2-CD1 4.29Å; L65-I267 HydrophobicContact CD2-CD1 3.84Å; L65-I267 HydrophobicContact CD2-CG2 4Å; L65-P277 HydrophobicContact CB-CB 4.44Å; L65-P277 HydrophobicContact CB-CG 3.76Å; L65-P277 HydrophobicContact CD2-CB 3.63Å; L65-P277 HydrophobicContact CD2-CG 3.88Å; L65-P277 HydrophobicContact CG-CG 4.41Å
66H98Very high85.5Confident79 Ų7960.9 Ų60.937%0.36631%0.31SS..EExtended strand (participates in β ladder)trans-96.7-54.1175.2172.8-76.7000111.8F31 R64 R130F31-H66 HydrophobicContact CB-CB 3.65Å; F31-H66 HydrophobicContact CD1-CB 4.05Å; F31-H66 AromaticContact CD1-CD2 3.88Å; F31-H66 AromaticContact CD1-CG 3.62Å; F31-H66 AromaticContact CD1-ND1 3.75Å; F31-H66 HydrophobicContact CG-CB 4.03Å; R64-H66 PolarHBondContact O-N 3.14Å; H66-R130 HydrophobicContact CB-CB 4.45Å; H66-R130 WeakPolarHBondContact CB-O 3.4Å; H66-R130 PolarHBondContact N-O 3.07Å
67S97.3Very high83Confident25 Ų2554.5 Ų54.518%0.17530%0.3CS..EExtended strand (participates in β ladder)trans-165.1-175.4177.457.30000110.8R130S67-R130 WeakPolarHBondContact O-CB 3.43Å; S67-R130 PolarHBondContact O-N 2.9Å; S67-R130 WeakPolarHBondContact OG-CD 3.49Å
68F97.4Very high80.2Confident48 Ų4857.1 Ų57.121%0.21132%0.321CS..EExtended strand (participates in β ladder)trans-142163.5176.265.5-85.7000111.2L9 L10 L70 L127 T128 L129L9-F68 HydrophobicContact CD1-CE1 3.99Å; L9-F68 HydrophobicContact CD2-CD1 4.4Å; L9-F68 HydrophobicContact CD2-CE1 4.23Å; L9-F68 HydrophobicContact CG-CD1 4.41Å; L9-F68 HydrophobicContact CG-CE1 3.77Å; L10-F68 HydrophobicContact CB-CE1 4.3Å; L10-F68 HydrophobicContact CB-CE2 4.39Å; L10-F68 HydrophobicContact CB-CZ 4.08Å; L10-F68 HydrophobicContact CD1-CD2 4.36Å; L10-F68 HydrophobicContact CD1-CE2 3.82Å; L10-F68 HydrophobicContact CD1-CZ 4.24Å; L10-F68 HydrophobicContact CD2-CD2 4.28Å; L10-F68 HydrophobicContact CD2-CE2 4.44Å; L10-F68 HydrophobicContact CG-CE2 4.44Å; F68-L70 HydrophobicContact CD2-CG 4.34Å; F68-L70 HydrophobicContact CE2-CD1 4.33Å; F68-L70 HydrophobicContact CE2-CG 4.32Å; F68-L127 HydrophobicContact CB-CD1 3.93Å; F68-L127 HydrophobicContact CD2-CD1 4Å; F68-L127 HydrophobicContact CG-CD1 4.31Å; F68-T128 CarbonylContact C-O 3.51Å; F68-T128 WeakPolarHBondContact CA-O 3.46Å; F68-L129 HydrophobicContact CB-CD2 3.92Å
69C95.7Very high77.5Confident32 Ų3260.1 Ų60.122%0.21633%0.334CS..EExtended strand (participates in β ladder)trans-132.7137.5169.6-67.80000110T128 R130C69-T128 PolarHBondContact N-O 2.96Å; C69-T128 PolarHBondContact O-N 3.44Å; C69-R130 PolarHBondContact SG-NH1 3.22Å; C69-R130 PolarHBondContact SG-NH2 3.13Å
70L93.6Very high74.6Confident72 Ų7265.7 Ų65.738%0.37736%0.359SS..EExtended strand (participates in β ladder)trans-98.2139.4170.2-67.2167.5000109L10 W15 F68 V126 L127L10-L70 HydrophobicContact CD1-CD1 4.03Å; L10-L70 HydrophobicContact CD1-CD2 4.28Å; L10-L70 HydrophobicContact CD1-CG 4.5Å; W15-L70 HydrophobicContact CH2-CD1 4.12Å; W15-L70 HydrophobicContact CH2-CD2 3.93Å; W15-L70 HydrophobicContact CH2-CG 4.49Å; W15-L70 HydrophobicContact CZ3-CD2 4.17Å; F68-L70 HydrophobicContact CD2-CG 4.34Å; F68-L70 HydrophobicContact CE2-CD1 4.33Å; F68-L70 HydrophobicContact CE2-CG 4.32Å; L70-V126 CarbonylContact C-O 3.51Å; L70-V126 WeakPolarHBondContact CA-O 3.46Å; L70-V126 HydrophobicContact CD2-CG1 4.36Å; L70-L127 HydrophobicContact CD2-CB 4.37Å; L70-L127 HydrophobicContact CD2-CD1 3.84Å
71A87.6Confident71.6Confident10 Ų1070.5 Ų70.58%0.08339%0.392CS..PPolyproline II helixtrans-63.3135.2172.400000109.6S125 V126A71-S125 WeakPolarHBondContact CB-O 3.24Å; A71-V126 PolarHBondContact N-O 2.78Å
72S68.9Low68.5Low51 Ų5177.7 Ų77.736%0.35743%0.429SS..PPolyproline II helixtrans-58.5139.2171.3179.10000109.6E74 N75S72-E74 PolarHBondContact O-N 3.24Å; S72-E74 PolarHBondContact OG-N 2.91Å; S72-N75 PolarHBondContact O-N 3.06Å
73P58Low65.1Low111 Ų11182.4 Ų82.472%0.72146%0.464SS*.G310 helixtrans-49.8-29.3173.6-2734.1000113.8N75 L76P73-N75 VanDerWaalsContact C-N 3.32Å; P73-N75 PolarHBondContact O-N 3.18Å; P73-L76 PolarHBondContact O-N 2.93Å
74E55.1Low61.7Low173 Ų17386.1 Ų86.181%0.80850%0.501SS*.G310 helixtrans-68.7-27.6178.5-60.8179173.400113.3S72S72-E74 PolarHBondContact O-N 3.24Å; S72-E74 PolarHBondContact OG-N 2.91Å
75N47.1Very low58.3Low133 Ų13394.8 Ų94.871%0.71154%0.542SS*.G310 helixtrans-89.6-4.4178.1-74.3-31.3000113.3S72 P73 G77S72-N75 PolarHBondContact O-N 3.06Å; P73-N75 VanDerWaalsContact C-N 3.32Å; P73-N75 PolarHBondContact O-N 3.18Å; N75-G77 PolarHBondContact O-N 3.44Å
76L51.2Low55Low64 Ų64102.8 Ų102.834%0.33558%0.579SS.*G310 helixtrans-82.34.7177.4-83.8158.3000113.6P73 V126P73-L76 PolarHBondContact O-N 2.93Å; L76-V126 HydrophobicContact CD2-CG2 3.93Å
77G38.9Very low51.7Low46 Ų46108.2 Ų108.247%0.47461%0.605SS.*  trans5585.5160.900000114N75 F79N75-G77 PolarHBondContact O-N 3.44Å; G77-F79 PolarHBondContact O-N 3.08Å
78C30.7Very low48.5Very low96 Ų96112.1 Ų112.165%0.64964%0.638SS**  trans-16.597.5160.6-163.20000115.2Q80C78-Q80 PolarHBondContact O-N 2.89Å; C78-Q80 VanDerWaalsContact SG-CB 3.57Å; C78-Q80 WeakPolarHBondContact SG-CG 3.44Å
79F34.3Very low45Very low210 Ų210113.6 Ų113.692%0.92167%0.668SS**  trans-81.376.8154.6-81.4-85.3000107.5G77 S81G77-F79 PolarHBondContact O-N 3.08Å; F79-S81 PolarHBondContact O-N 2.86Å
80Q32.2Very low41.7Very low168 Ų168120 Ų12079%0.78570%0.7SS**  trans-79.7108.8167.5-100.6167.45.200108.6C78C78-Q80 PolarHBondContact O-N 2.89Å; C78-Q80 VanDerWaalsContact SG-CB 3.57Å; C78-Q80 WeakPolarHBondContact SG-CG 3.44Å
81S30.2Very low38.4Very low105 Ų105121.2 Ų121.273%0.73472%0.72SS**  trans-62.3126.3150.359.90000107.9F79 C83F79-S81 PolarHBondContact O-N 2.86Å; S81-C83 PolarHBondContact O-N 2.78Å; S81-C83 VanDerWaalsContact O-N 3.13Å
82D29.6Very low35.5Very low164 Ų164125.3 Ų125.388%0.87775%0.754SS**SBendtrans-46.7114.3166.5-107.1-24.3000110.6
83C26.8Very low33.4Very low126 Ų126132 Ų13285%0.85178%0.779SS**  trans-165.4116.6153-84.60000107S81S81-C83 PolarHBondContact O-N 2.78Å; S81-C83 VanDerWaalsContact O-N 3.13Å
84G26.5Very low31.9Very low77 Ų77138 Ų13879%0.79479%0.788SS**  trans-80.7-179.2-172.400000116.1
85E27.4Very low30.6Very low189 Ų189135.9 Ų135.988%0.88379%0.788SS**  trans96.994.7161.6-61.4-173.6161.500119
86Q28.6Very low29.5Very low179 Ų179132.3 Ų132.384%0.83678%0.783SS**  25.6121.3128.3-66.3171.6-12.600119.4
87Q28.3Very low28.3Very low194 Ų194136.9 Ų136.991%0.90781%0.808SS**  -173.3145.5107.9-101.3173.118.900112.5
88A30.2Very low27.7Very low106 Ų106144.2 Ų144.288%0.87683%0.827SS**  trans-78.9147.4178.400000112
89G25.3Very low27.7Very low80 Ų80147.4 Ų147.483%0.82584%0.836SS**  trans-166129.4171.400000112.2
90D25Very low27.6Very low166 Ų166143.8 Ų143.889%0.88883%0.826SS**  trans-66.5158.9-170.5-86.9-43.8000117.3
91A25.8Very low27.7Very low97 Ų97138.8 Ų138.880%0.80282%0.82SS**  trans72.5119.6148.300000120.3
92A24.9Very low27.7Very low97 Ų97136.6 Ų136.680%0.80280%0.804SS**  171.9135.294.600000111.9
93H26.4Very low27.7Very low190 Ų190135.2 Ų135.288%0.8880%0.802SS**  trans-47.1131.6164.7-98.938.3000113.4
94R25.8Very low27.8Very low239 Ų239136.6 Ų136.690%0.90280%0.8SS**  trans-141.9130.4140.4-78.1-165.1-173.3-177.63.6109.9
95P27.3Very low28Very low127 Ų127140.7 Ų140.783%0.82580%0.798SS**  trans-86.3130.2174.933.4-28000109.6
96G24.6Very low27.9Very low59 Ų59137.8 Ų137.861%0.60879%0.794SS**  trans-141.6103.7169.400000107.6F98G96-F98 PolarHBondContact O-N 2.82Å
97D25.2Very low28Very low160 Ų160138 Ų13886%0.85680%0.795SS**  trans-61.2105.1-178.6-68.8-44.3000110.4I99D97-I99 PolarHBondContact O-N 3.28Å
98F26.5Very low28.1Very low199 Ų199136.8 Ų136.887%0.87380%0.795SS**  trans-72.9111159.7-77.3-88.4000107.2G96 N100G96-F98 PolarHBondContact O-N 2.82Å; F98-N100 VanDerWaalsContact C-N 3.25Å; F98-N100 PolarHBondContact O-N 2.91Å
99I30.8Very low27.9Very low163 Ų163135.2 Ų135.284%0.83679%0.788SS**  trans-67.293.5168.6-60.7-174.2000107.1D97 G101D97-I99 PolarHBondContact O-N 3.28Å; I99-G101 PolarHBondContact O-N 3Å; I99-G101 VanDerWaalsContact O-N 3.12Å
100N32.8Very low28.1Very low134 Ų134141.2 Ų141.272%0.71780%0.795SS**  trans-71.399.3168.5-1584.6000106.7F98 C102F98-N100 VanDerWaalsContact C-N 3.25Å; F98-N100 PolarHBondContact O-N 2.91Å; N100-C102 PolarHBondContact O-N 2.64Å
101G33.1Very low28.2Very low63 Ų63136.8 Ų136.865%0.64979%0.788SS**  trans-70.939.5178.900000114I99I99-G101 PolarHBondContact O-N 3Å; I99-G101 VanDerWaalsContact O-N 3.12Å
102C31.5Very low28.2Very low60 Ų60138.6 Ų138.641%0.40579%0.789SS.*  trans-114.399.4175.4-77.20000109.5N100 L104N100-C102 PolarHBondContact O-N 2.64Å; C102-L104 PolarHBondContact O-N 3.16Å; C102-L104 VanDerWaalsContact O-N 3.15Å
103T29.7Very low28.5Very low135 Ų135139.6 Ų139.683%0.82879%0.791SS**  trans-74.797.4159.1-42.80000107.1Q105T103-Q105 PolarHBondContact O-N 3.15Å
104L28.4Very low28.6Very low155 Ų155138.4 Ų138.481%0.81279%0.786SS**  trans-71.3102.9167.1-79.1161000107.7C102C102-L104 PolarHBondContact O-N 3.16Å; C102-L104 VanDerWaalsContact O-N 3.15Å
105Q29.7Very low28.7Very low162 Ų162136.7 Ų136.776%0.75779%0.785SS**  trans-79.5113.5160.7-72.6179.3-12.900107.4T103T103-Q105 PolarHBondContact O-N 3.15Å
106T26Very low28.9Very low129 Ų129138 Ų13879%0.79178%0.783SS**  trans-85.9111.9167.545.30000108.3
107E31.6Very low29.3Very low183 Ų183140.2 Ų140.286%0.85579%0.789SS**  trans-99.1112.4162.8-70.3-171.3156.300108.6
108D29.3Very low29.9Very low169 Ų169140.9 Ų140.990%0.90479%0.787SS**  trans-89126162.6-79.8-41.6000108.6
109G27.2Very low30.7Very low72 Ų72136 Ų13674%0.74278%0.775SS**  trans150.378.1162.700000117.9
110E28.6Very low31.6Very low206 Ų206137.8 Ų137.896%0.96378%0.777SS**  trans51.5112.2146.3-61.3-172.7157.400121.4
111G27Very low32.7Very low73 Ų73136.5 Ų136.575%0.75377%0.767SS**  trans147.9109.7146.800000117.4
112V25.2Very low34Very low135 Ų135139.9 Ų139.982%0.81876%0.76SS**  trans70.8103.1162.9-168.50000116.7Q114V112-Q114 PolarHBondContact O-N 2.84Å
113S31.5Very low35.7Very low119 Ų119143.4 Ų143.483%0.83278%0.782SS**  trans-67.994.6173.5-156.50000111.2
114Q28.8Very low38Very low165 Ų165139.2 Ų139.277%0.77177%0.765SS**  trans-97.7110.1153.5-73.7-169.5-5.100107.6V112 I116V112-Q114 PolarHBondContact O-N 2.84Å; Q114-I116 VanDerWaalsContact C-N 3.3Å; Q114-I116 PolarHBondContact O-N 2.79Å
115K27.5Very low40.8Very low203 Ų203132 Ų13288%0.88373%0.728SS**  trans-62.292171.4-85.8179.5172.6177.30109S117K115-S117 PolarHBondContact O-N 2.82Å; K115-S117 VanDerWaalsContact O-N 3.16Å
116I32.1Very low43.9Very low154 Ų154124.3 Ų124.379%0.7969%0.692SS**  trans-71.3104.8160.7-60.3174.7000105.4Q114 Q118Q114-I116 VanDerWaalsContact C-N 3.3Å; Q114-I116 PolarHBondContact O-N 2.79Å; I116-Q118 PolarHBondContact O-N 2.83Å; I116-Q118 VanDerWaalsContact O-N 3.15Å
117S32.6Very low47.3Very low106 Ų106118.2 Ų118.274%0.74165%0.654SS**PPolyproline II helixtrans-58.9116.3173.447.80000109K115K115-S117 PolarHBondContact O-N 2.82Å; K115-S117 VanDerWaalsContact O-N 3.16Å
118Q37.3Very low50.4Low173 Ų173110.3 Ų110.381%0.80862%0.619SS**PPolyproline II helixtrans-52.3135.9169.5-70.6-178.3-8.400109I116 K120I116-Q118 PolarHBondContact O-N 2.83Å; I116-Q118 VanDerWaalsContact O-N 3.15Å; Q118-K120 PolarHBondContact O-N 3.19Å; Q118-K120 VanDerWaalsContact O-N 3.16Å
119P43.4Very low53.7Low97 Ų97102.4 Ų102.463%0.6358%0.576SS**PPolyproline II helixtrans-57.7125.317721.9-29.5000108.5H121P119-H121 PolarHBondContact O-N 2.82Å
120K50.9Low57.1Low201 Ų201102 Ų10287%0.87455%0.553SS**  trans-60.5109.1-179.7-69.5178.5177.8178.20108.3Q118 R122Q118-K120 PolarHBondContact O-N 3.19Å; Q118-K120 VanDerWaalsContact O-N 3.16Å; K120-R122 PolarHBondContact O-N 2.85Å; K120-R122 VanDerWaalsContact O-N 3.12Å
121H54.5Low60.4Low107 Ų10792.2 Ų92.250%0.49551%0.507SS..PPolyproline II helixtrans-48.4119167.2-113.9-81.7000108.4P119P119-H121 PolarHBondContact O-N 2.82Å
122R61Low63.8Low134 Ų13488.8 Ų88.851%0.50647%0.471SS..PPolyproline II helixtrans-70.8135.9170-44.1176.8170.9-175.8-1.4108.6K120 G124 S125K120-R122 PolarHBondContact O-N 2.85Å; K120-R122 VanDerWaalsContact O-N 3.12Å; R122-G124 PolarHBondContact O-N 2.81Å; R122-S125 WeakPolarHBondContact O-CB 3.34Å; R122-S125 PolarHBondContact O-N 3.04Å
123P67.4Low67.2Low134 Ų13483.5 Ų83.587%0.8744%0.438SS*.THydrogen-bonded Turntrans-54133.3175.7-20.930.4000110.6
124G78.4Confident70.4Confident46 Ų4678.4 Ų78.447%0.47440%0.402SS..THydrogen-bonded Turntrans89.3-3.4179.500000115.9R122R122-G124 PolarHBondContact O-N 2.81Å
125S86.7Confident73.6Confident4 Ų471.5 Ų71.53%0.02837%0.372CS..  trans-74.8128.5171.6-155.80000111.5Q22 Q24 A71 R122Q22-S125 PolarHBondContact O-OG 2.83Å; Q24-S125 WeakPolarHBondContact CG-OG 3.33Å; Q24-S125 PolarHBondContact NE2-OG 2.83Å; Q24-S125 VanDerWaalsContact NE2-OG 3.16Å; A71-S125 WeakPolarHBondContact CB-O 3.24Å; R122-S125 WeakPolarHBondContact O-CB 3.34Å; R122-S125 PolarHBondContact O-N 3.04Å
126V94.9Very high76.9Confident1 Ų164.9 Ų64.91%0.00634%0.342CS..  trans-97.8-42.6176.5178.40000110.7W15 L18 Q22 L70 A71 L76W15-V126 HydrophobicContact CD2-CG1 3.75Å; W15-V126 HydrophobicContact CE3-CG1 4.25Å; W15-V126 HydrophobicContact CG-CG1 4.28Å; W15-V126 HydrophobicContact CH2-CG1 4.02Å; W15-V126 HydrophobicContact CZ2-CG1 3.46Å; W15-V126 VanDerWaalsContact CZ2-CG1 3.46Å; W15-V126 HydrophobicContact CZ3-CG1 4.38Å; L18-V126 HydrophobicContact CD1-CB 4.25Å; L18-V126 HydrophobicContact CD1-CG1 4.13Å; L18-V126 HydrophobicContact CD2-CB 3.82Å; L18-V126 HydrophobicContact CD2-CG1 3.84Å; L18-V126 HydrophobicContact CD2-CG2 4.01Å; Q22-V126 HydrophobicContact CB-CB 4.38Å; Q22-V126 HydrophobicContact CB-CG2 4.14Å; Q22-V126 PolarHBondContact O-N 3.47Å; L70-V126 CarbonylContact C-O 3.51Å; L70-V126 WeakPolarHBondContact CA-O 3.46Å; L70-V126 HydrophobicContact CD2-CG1 4.36Å; A71-V126 PolarHBondContact N-O 2.78Å; L76-V126 HydrophobicContact CD2-CG2 3.93Å
127L97.1Very high79.9Confident0 Ų059.4 Ų59.40%031%0.312CS..EExtended strand (participates in β ladder)trans-118.8134.1-172.5176.764.8000110.7L10 L18 Q22 V23 Q24 F68 L70 L129 L264L10-L127 HydrophobicContact CD2-CD1 3.73Å; L10-L127 HydrophobicContact CD2-CD2 3.85Å; L10-L127 HydrophobicContact CD2-CG 4.46Å; L18-L127 HydrophobicContact CD1-CB 3.58Å; L18-L127 HydrophobicContact CD1-CD2 4Å; L18-L127 HydrophobicContact CD1-CG 4.43Å; Q22-L127 PolarHBondContact O-N 3.32Å; V23-L127 CarbonylContact C-O 3.56Å; V23-L127 WeakPolarHBondContact CA-O 3.45Å; V23-L127 HydrophobicContact CG1-CD2 4.28Å; V23-L127 HydrophobicContact CG1-CG 4.48Å; V23-L127 HydrophobicContact CG2-CB 4.43Å; V23-L127 HydrophobicContact CG2-CD2 4.32Å; Q24-L127 PolarHBondContact N-O 2.99Å; F68-L127 HydrophobicContact CB-CD1 3.93Å; F68-L127 HydrophobicContact CD2-CD1 4Å; F68-L127 HydrophobicContact CG-CD1 4.31Å; L70-L127 HydrophobicContact CD2-CB 4.37Å; L70-L127 HydrophobicContact CD2-CD1 3.84Å; L127-L129 HydrophobicContact CD1-CD2 4.11Å; L127-L129 HydrophobicContact CD2-CD2 3.9Å; L127-L129 HydrophobicContact CD2-CG 4.22Å; L127-L129 HydrophobicContact CG-CD2 4.03Å; L127-L129 HydrophobicContact CG-CG 4.25Å; L127-L264 HydrophobicContact CD2-CD2 3.55Å
128T97.8Very high83.1Confident18 Ų1855.7 Ų55.711%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-117.3118.1166.7-56.60000109.4Q24 E26 F68 C69Q24-T128 CarbonylContact O-C 3.08Å; Q24-T128 VanDerWaalsContact O-CA 3.32Å; Q24-T128 WeakPolarHBondContact O-CA 3.18Å; E26-T128 HydrophobicContact CB-CG2 4.07Å; F68-T128 CarbonylContact C-O 3.51Å; F68-T128 WeakPolarHBondContact CA-O 3.46Å; C69-T128 PolarHBondContact N-O 2.96Å; C69-T128 PolarHBondContact O-N 3.44Å
129L98.3Very high85.9Confident2 Ų248.3 Ų48.31%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-92.2127174.4-61.1177.7000110.1V23 Q24 V25 E26 L65 F68 L127 L131 L240 I267V23-L129 HydrophobicContact CG1-CD1 4.23Å; V23-L129 HydrophobicContact CG1-CG 4.39Å; Q24-L129 PolarHBondContact O-N 3.32Å; V25-L129 CarbonylContact C-O 3.59Å; V25-L129 VanDerWaalsContact CA-O 3.22Å; V25-L129 WeakPolarHBondContact CA-O 3.3Å; V25-L129 HydrophobicContact CG1-CB 4.28Å; E26-L129 PolarHBondContact N-O 2.73Å; L65-L129 HydrophobicContact CD1-CD2 4.3Å; F68-L129 HydrophobicContact CB-CD2 3.92Å; L127-L129 HydrophobicContact CD1-CD2 4.11Å; L127-L129 HydrophobicContact CD2-CD2 3.9Å; L127-L129 HydrophobicContact CD2-CG 4.22Å; L127-L129 HydrophobicContact CG-CD2 4.03Å; L127-L129 HydrophobicContact CG-CG 4.25Å; L129-L131 HydrophobicContact CB-CD2 4.19Å; L129-L131 HydrophobicContact CB-CG 4.18Å; L129-L240 HydrophobicContact CD1-CD1 3.95Å; L129-I267 HydrophobicContact CD2-CD1 3.88Å
130R98.1Very high88.5Confident65 Ų6544 Ų4425%0.24522%0.22CC..EExtended strand (participates in β ladder)trans-92.1113174.1-72.1173.8178.2142.11.6109.3E26 F31 H66 S67 C69E26-R130 HydrophobicContact CB-CG 4.08Å; E26-R130 WeakPolarHBondContact O-CA 3.44Å; E26-R130 WeakPolarHBondContact OE2-CG 3.27Å; E26-R130 IonicContact OE2-NE 2.69Å; E26-R130 PolarHBondContact OE2-NE 3.33Å; F31-R130 HydrophobicContact CD1-CB 4.29Å; F31-R130 HydrophobicContact CD2-CB 3.96Å; F31-R130 HydrophobicContact CE1-CB 4.04Å; F31-R130 HydrophobicContact CE1-CG 4.16Å; F31-R130 HydrophobicContact CE2-CB 3.69Å; F31-R130 HydrophobicContact CE2-CG 3.84Å; F31-R130 HydrophobicContact CG-CB 4.25Å; F31-R130 HydrophobicContact CZ-CB 3.73Å; F31-R130 HydrophobicContact CZ-CG 3.57Å; H66-R130 HydrophobicContact CB-CB 4.45Å; H66-R130 WeakPolarHBondContact CB-O 3.4Å; H66-R130 PolarHBondContact N-O 3.07Å; S67-R130 WeakPolarHBondContact O-CB 3.43Å; S67-R130 PolarHBondContact O-N 2.9Å; S67-R130 WeakPolarHBondContact OG-CD 3.49Å; C69-R130 PolarHBondContact SG-NH1 3.22Å; C69-R130 PolarHBondContact SG-NH2 3.13Å
131L98.4Very high90.7Very high0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-120.2132.3-170.7-58.3-178.2000111.3V25 E26 L27 S28 F31 F63 R64 L65 L129 L170 V236 L240V25-L131 HydrophobicContact CB-CD1 4.17Å; V25-L131 HydrophobicContact CG1-CD1 3.62Å; V25-L131 HydrophobicContact CG1-CG 4.38Å; E26-L131 PolarHBondContact O-N 3.41Å; L27-L131 WeakPolarHBondContact CA-O 3.46Å; L27-L131 HydrophobicContact CD2-CB 3.73Å; S28-L131 PolarHBondContact N-O 3.16Å; F31-L131 WeakPolarHBondContact CD2-O 3.39Å; F63-L131 HydrophobicContact CD1-CD1 4.41Å; R64-L131 CarbonylContact O-C 3.6Å; R64-L131 VanDerWaalsContact O-CA 3.3Å; R64-L131 WeakPolarHBondContact O-CA 3.36Å; L65-L131 HydrophobicContact CB-CD2 4.38Å; L65-L131 HydrophobicContact CD1-CD2 3.81Å; L129-L131 HydrophobicContact CB-CD2 4.19Å; L129-L131 HydrophobicContact CB-CG 4.18Å; L131-L170 HydrophobicContact CD2-CD2 4.05Å; L131-V236 HydrophobicContact CD1-CG1 4.12Å; L131-L240 HydrophobicContact CD1-CD1 4.21Å
132G97.7Very high92.8Very high0 Ų029.3 Ų29.30%016%0.155CC..EExtended strand (participates in β ladder)trans-103.9-167.3163.800000111.1N32 R64N32-G132 WeakPolarHBondContact OD1-CA 3.39Å; R64-G132 PolarHBondContact N-O 3.26Å; R64-G132 PolarHBondContact O-N 3.27Å
133L97.1Very high94.5Very high25 Ų2523.1 Ų23.113%0.13113%0.132CC..EExtended strand (participates in β ladder)trans-112.3151.3167.5-69.7179.9000111.2N32 F63 P208 I224 L226 M229N32-L133 PolarHBondContact OD1-N 3.06Å; F63-L133 HydrophobicContact CD1-CD2 4.18Å; F63-L133 HydrophobicContact CE1-CD2 4.39Å; L133-P208 HydrophobicContact CD2-CB 3.91Å; L133-P208 HydrophobicContact CD2-CG 3.48Å; L133-P208 VanDerWaalsContact CD2-CG 3.48Å; L133-I224 HydrophobicContact CD1-CG2 4.11Å; L133-L226 HydrophobicContact CD1-CD2 4.18Å; L133-L226 HydrophobicContact CD1-CG 3.77Å; L133-L226 HydrophobicContact CD2-CD2 4.35Å; L133-L226 HydrophobicContact CG-CD1 4.26Å; L133-L226 HydrophobicContact CG-CD2 3.8Å; L133-L226 HydrophobicContact CG-CG 3.74Å; L133-M229 HydrophobicContact CD1-CE 3.99Å; L133-M229 HydrophobicContact CD2-CE 3.98Å; L133-M229 HydrophobicContact CG-CE 4.38Å
134T97.6Very high95.9Very high11 Ų1121.4 Ų21.47%0.06711%0.108CC..EExtended strand (participates in β ladder)trans-148.7-168.9167.9-167.70000108.4K62 R64 A167 P169K62-T134 HydrophobicContact CB-CG2 4.06Å; K62-T134 PolarHBondContact N-O 3.19Å; K62-T134 PolarHBondContact O-N 3.47Å; K62-T134 VanDerWaalsContact O-O 3.13Å; R64-T134 HydrophobicContact CB-CG2 4.05Å; T134-A167 HydrophobicContact CG2-CB 4.48Å; T134-A167 WeakPolarHBondContact OG1-CB 3.37Å; T134-P169 HydrophobicContact CG2-CB 3.88Å
135C96.6Very high96.7Very high20 Ų2019.8 Ų19.814%0.1359%0.09CC..EExtended strand (participates in β ladder)trans-150.4169.1175.966.90000112N59 G60 K137 D138 Y139N59-C135 PolarHBondContact ND2-SG 2.8Å; N59-C135 VanDerWaalsContact ND2-SG 3.36Å; N59-C135 WeakPolarHBondContact OD1-CB 3.48Å; G60-C135 CarbonylContact O-C 3.49Å; G60-C135 WeakPolarHBondContact O-CA 3.28Å; G60-C135 WeakPolarHBondContact O-CB 3.42Å; C135-K137 VanDerWaalsContact C-N 3.28Å; C135-K137 PolarHBondContact O-N 3.04Å; C135-D138 PolarHBondContact O-N 3.36Å; C135-D138 PolarHBondContact SG-OD1 3.46Å; C135-Y139 PolarHBondContact O-N 3.25Å
136Y96Very high97Very high65 Ų6523.7 Ų23.726%0.25513%0.13SC..Hα-helixtrans-58.7-39.2178.8-178.3-118.8000112.8W47 N59 G60 Y139 L140W47-Y136 HydrophobicContact CH2-CD1 4.15Å; W47-Y136 HydrophobicContact CH2-CE1 4.49Å; W47-Y136 AromaticContact CZ3-CD1 3.89Å; W47-Y136 HydrophobicContact CZ3-CD1 3.89Å; W47-Y136 HydrophobicContact CZ3-CE1 4.05Å; N59-Y136 PolarHBondContact OD1-N 2.86Å; G60-Y136 PolarHBondContact O-N 3.2Å; Y136-Y139 HydrophobicContact CD2-CD1 4.22Å; Y136-Y139 HydrophobicContact CE2-CD1 4.2Å; Y136-Y139 WeakPolarHBondContact O-CB 3.48Å; Y136-Y139 PolarHBondContact O-N 2.93Å; Y136-L140 HydrophobicContact CD1-CD1 4.28Å; Y136-L140 HydrophobicContact CE1-CD1 3.67Å; Y136-L140 HydrophobicContact CE1-CG 4.22Å; Y136-L140 HydrophobicContact CE2-CD2 4.28Å; Y136-L140 HydrophobicContact CE2-CG 4.24Å; Y136-L140 PolarHBondContact O-N 2.91Å
137K96.8Very high97Very high39 Ų3928.3 Ų28.317%0.1715%0.152CC..Hα-helixtrans-58.6-48.7175.4173.1-180175.5-165.70112.2I43 N44 W47 N59 C135 Y139 L140 G141I43-K137 HydrophobicContact CG2-CG 3.88Å; N44-K137 WeakPolarHBondContact OD1-CE 3.3Å; N44-K137 PolarHBondContact OD1-NZ 3.32Å; W47-K137 HydrophobicContact CB-CD 4.05Å; W47-K137 HydrophobicContact CB-CG 3.8Å; W47-K137 HydrophobicContact CD2-CB 4.01Å; W47-K137 HydrophobicContact CD2-CD 4.07Å; W47-K137 HydrophobicContact CD2-CG 3.79Å; W47-K137 HydrophobicContact CE3-CB 3.99Å; W47-K137 HydrophobicContact CE3-CG 4.1Å; W47-K137 HydrophobicContact CG-CB 4.38Å; W47-K137 HydrophobicContact CG-CD 3.66Å; W47-K137 HydrophobicContact CG-CG 3.64Å; W47-K137 HydrophobicContact CZ3-CB 4.46Å; N59-K137 HydrophobicContact CB-CB 4.45Å; N59-K137 VanDerWaalsContact OD1-CB 3.31Å; N59-K137 WeakPolarHBondContact OD1-CB 3.22Å; N59-K137 PolarHBondContact OD1-N 3.5Å; C135-K137 VanDerWaalsContact C-N 3.28Å; C135-K137 PolarHBondContact O-N 3.04Å; K137-Y139 VanDerWaalsContact C-N 3.3Å; K137-Y139 PolarHBondContact O-N 3.11Å; K137-L140 PolarHBondContact O-N 3.31Å; K137-G141 PolarHBondContact O-N 3.33Å
138D98.1Very high97Very high27 Ų2730 Ų3014%0.14416%0.163CC..Hα-helixtrans-62.6-39.2177.9-82.228.3000111.5R33 C135 G141 T142 A167R33-D138 IonicContact CZ-OD2 3.37Å; R33-D138 IonicContact NE-OD2 3.95Å; R33-D138 PolarHBondContact NE-OD2 3.13Å; R33-D138 IonicContact NH2-OD1 2.81Å; R33-D138 IonicContact NH2-OD2 3.9Å; R33-D138 PolarHBondContact NH2-OD2 3.16Å; C135-D138 PolarHBondContact O-N 3.36Å; C135-D138 PolarHBondContact SG-OD1 3.46Å; D138-G141 PolarHBondContact O-N 3.23Å; D138-T142 WeakPolarHBondContact O-CB 3.36Å; D138-T142 WeakPolarHBondContact O-CG2 3.09Å; D138-T142 PolarHBondContact O-N 2.9Å; D138-T142 PolarHBondContact O-OG1 3.34Å; D138-A167 HydrophobicContact CB-CB 3.94Å
139Y97.7Very high97Very high18 Ų1832.8 Ų32.87%0.07119%0.187CC..Hα-helixtrans-58.2-48.1174.8168.1-103.6000111.8C135 Y136 K137 G141 T142 N143 W144 P169 S273C135-Y139 PolarHBondContact O-N 3.25Å; Y136-Y139 HydrophobicContact CD2-CD1 4.22Å; Y136-Y139 HydrophobicContact CE2-CD1 4.2Å; Y136-Y139 WeakPolarHBondContact O-CB 3.48Å; Y136-Y139 PolarHBondContact O-N 2.93Å; K137-Y139 VanDerWaalsContact C-N 3.3Å; K137-Y139 PolarHBondContact O-N 3.11Å; Y139-G141 VanDerWaalsContact C-N 3.33Å; Y139-G141 PolarHBondContact O-N 3.08Å; Y139-T142 PolarHBondContact O-N 2.97Å; Y139-N143 HydrophobicContact CD2-CB 3.43Å; Y139-N143 VanDerWaalsContact CD2-CB 3.43Å; Y139-N143 HydrophobicContact CE2-CB 3.47Å; Y139-N143 VanDerWaalsContact CE2-CB 3.47Å; Y139-N143 HydrophobicContact CG-CB 4.46Å; Y139-N143 PolarHBondContact O-N 2.85Å; Y139-N143 VanDerWaalsContact O-N 3.11Å; Y139-W144 HydrophobicContact CE1-CB 4.2Å; Y139-W144 PolarHBondContact O-N 3.4Å; Y139-W144 VanDerWaalsContact OH-CE3 3.26Å; Y139-P169 HydrophobicContact CD2-CG 3.66Å; Y139-P169 HydrophobicContact CE2-CG 4.44Å; Y139-P169 HydrophobicContact CG-CG 4.07Å; Y139-S273 WeakPolarHBondContact CE2-OG 3.27Å; Y139-S273 PolarHBondContact OH-OG 2.76Å
140L96.8Very high97Very high6 Ų636.2 Ų36.23%0.03120%0.203CC..Hα-helixtrans-62.5-40.2178.1-70.7-176.5000112.6V46 W47 R50 Y136 K137 T142 W144 S145V46-L140 HydrophobicContact CG1-CB 4.47Å; W47-L140 HydrophobicContact CE3-CD1 4.05Å; W47-L140 HydrophobicContact CZ3-CD1 3.88Å; R50-L140 HydrophobicContact CG-CD1 4.18Å; Y136-L140 HydrophobicContact CD1-CD1 4.28Å; Y136-L140 HydrophobicContact CE1-CD1 3.67Å; Y136-L140 HydrophobicContact CE1-CG 4.22Å; Y136-L140 HydrophobicContact CE2-CD2 4.28Å; Y136-L140 HydrophobicContact CE2-CG 4.24Å; Y136-L140 PolarHBondContact O-N 2.91Å; K137-L140 PolarHBondContact O-N 3.31Å; L140-T142 VanDerWaalsContact C-N 3.33Å; L140-W144 HydrophobicContact CD2-CB 4.28Å; L140-W144 HydrophobicContact CD2-CG 4.33Å; L140-S145 PolarHBondContact O-N 2.83Å
141G97.6Very high97Very high0 Ų033.2 Ų33.20%019%0.192CC..Hα-helixtrans-79-9.8-179.500000114.9K137 D138 Y139 S145K137-G141 PolarHBondContact O-N 3.33Å; D138-G141 PolarHBondContact O-N 3.23Å; Y139-G141 VanDerWaalsContact C-N 3.33Å; Y139-G141 PolarHBondContact O-N 3.08Å; G141-S145 WeakPolarHBondContact O-CB 3.35Å
142T98.3Very high96.9Very high0 Ų038 Ų380%021%0.21CC..THydrogen-bonded Turntrans-125.8-79.3-177.462.20000112.9L39 I43 D138 Y139 L140 W144 S145 L151 L165 A167L39-T142 HydrophobicContact CD1-CG2 4.27Å; I43-T142 HydrophobicContact CD1-CG2 3.82Å; I43-T142 HydrophobicContact CG1-CG2 4.17Å; D138-T142 WeakPolarHBondContact O-CB 3.36Å; D138-T142 WeakPolarHBondContact O-CG2 3.09Å; D138-T142 PolarHBondContact O-N 2.9Å; D138-T142 PolarHBondContact O-OG1 3.34Å; Y139-T142 PolarHBondContact O-N 2.97Å; L140-T142 VanDerWaalsContact C-N 3.33Å; T142-W144 VanDerWaalsContact C-N 3.3Å; T142-W144 PolarHBondContact O-N 3.36Å; T142-S145 VanDerWaalsContact O-CB 3.27Å; T142-S145 WeakPolarHBondContact O-CB 3.3Å; T142-S145 PolarHBondContact O-N 3.17Å; T142-S145 VanDerWaalsContact O-N 3.1Å; T142-L151 HydrophobicContact CG2-CD1 4.12Å; T142-L165 WeakPolarHBondContact CG2-O 3.42Å; T142-A167 VanDerWaalsContact OG1-CB 3.31Å; T142-A167 WeakPolarHBondContact OG1-CB 3.44Å; T142-A167 PolarHBondContact OG1-N 3.47Å; T142-A167 VanDerWaalsContact OG1-N 3.08Å
143N97.8Very high97Very high5 Ų543.3 Ų43.33%0.02723%0.23CC..THydrogen-bonded Turntrans-56.2-41.5-179.2-77.378.9000112.9Y139 A167 Q168 S273Y139-N143 HydrophobicContact CD2-CB 3.43Å; Y139-N143 VanDerWaalsContact CD2-CB 3.43Å; Y139-N143 HydrophobicContact CE2-CB 3.47Å; Y139-N143 VanDerWaalsContact CE2-CB 3.47Å; Y139-N143 HydrophobicContact CG-CB 4.46Å; Y139-N143 PolarHBondContact O-N 2.85Å; Y139-N143 VanDerWaalsContact O-N 3.11Å; N143-A167 PolarHBondContact OD1-N 3.46Å; N143-A167 VanDerWaalsContact OD1-N 3.1Å; N143-Q168 PolarHBondContact ND2-NE2 3.05Å; N143-Q168 PolarHBondContact OD1-N 2.98Å; N143-S273 PolarHBondContact ND2-O 3.32Å; N143-S273 VanDerWaalsContact ND2-O 3.12Å
144W95.6Very high97Very high97 Ų9744.1 Ų44.137%0.36723%0.231SC..THydrogen-bonded Turntrans-93.95.8-179.5-155.7-104.7000113.4Y139 L140 T142 E194Y139-W144 HydrophobicContact CE1-CB 4.2Å; Y139-W144 PolarHBondContact O-N 3.4Å; Y139-W144 VanDerWaalsContact OH-CE3 3.26Å; L140-W144 HydrophobicContact CD2-CB 4.28Å; L140-W144 HydrophobicContact CD2-CG 4.33Å; T142-W144 VanDerWaalsContact C-N 3.3Å; T142-W144 PolarHBondContact O-N 3.36Å; W144-E194 HydrophobicContact CH2-CB 4.33Å; W144-E194 HydrophobicContact CH2-CG 4.04Å; W144-E194 HydrophobicContact CZ3-CG 4.22Å
145S94.8Very high97Very high13 Ų1343.6 Ų43.69%0.09123%0.228CC..SBendtrans-77.8146.8-178.6-168.80000111.6H42 L140 G141 T142 E147 V148H42-S145 PolarHBondContact NE2-OG 3.12Å; L140-S145 PolarHBondContact O-N 2.83Å; G141-S145 WeakPolarHBondContact O-CB 3.35Å; T142-S145 VanDerWaalsContact O-CB 3.27Å; T142-S145 WeakPolarHBondContact O-CB 3.3Å; T142-S145 PolarHBondContact O-N 3.17Å; T142-S145 VanDerWaalsContact O-N 3.1Å; S145-E147 PolarHBondContact O-N 2.86Å; S145-E147 VanDerWaalsContact O-N 3.16Å; S145-E147 PolarHBondContact OG-N 3.49Å; S145-V148 WeakPolarHBondContact O-CB 3.26Å; S145-V148 WeakPolarHBondContact O-CG1 3.44Å; S145-V148 PolarHBondContact O-N 3.2Å
146G93.9Very high97.1Very high85 Ų8547.3 Ų47.388%0.87624%0.243SC*.THydrogen-bonded Turntrans-61.5-17.6167.400000113.3
147E95.4Very high97.2Very high98 Ų9850.1 Ų50.146%0.45826%0.259SS..THydrogen-bonded Turntrans-92.18.3179.7-63.4-171-149.500113.8H42 S145 A149 E150 L151H42-E147 IonicContact CE1-OE1 3.87Å; H42-E147 PolarHBondContact CE1-OE1 3.31Å; H42-E147 IonicContact ND1-OE1 3.98Å; H42-E147 IonicContact NE2-OE1 3.19Å; S145-E147 PolarHBondContact O-N 2.86Å; S145-E147 VanDerWaalsContact O-N 3.16Å; S145-E147 PolarHBondContact OG-N 3.49Å; E147-A149 PolarHBondContact O-N 2.92Å; E147-A149 VanDerWaalsContact O-N 3.11Å; E147-E150 WeakPolarHBondContact O-CB 3.43Å; E147-E150 PolarHBondContact O-N 3.19Å; E147-L151 PolarHBondContact O-N 3.2Å
148V96.9Very high97.2Very high37 Ų3752.8 Ų52.822%0.22427%0.272CS..Hα-helixtrans-57.1-33.3-173.968.90000114.1S145 L151 R152 L166 A274S145-V148 WeakPolarHBondContact O-CB 3.26Å; S145-V148 WeakPolarHBondContact O-CG1 3.44Å; S145-V148 PolarHBondContact O-N 3.2Å; V148-L151 PolarHBondContact O-N 2.8Å; V148-R152 VanDerWaalsContact O-CG 3.3Å; V148-R152 WeakPolarHBondContact O-CG 3.32Å; V148-R152 PolarHBondContact O-N 3.13Å; V148-L166 HydrophobicContact CG2-CD1 4.36Å; V148-L166 HydrophobicContact CG2-CD2 4.06Å; V148-A274 HydrophobicContact CG2-CB 3.37Å
149A97.4Very high97.1Very high76 Ų7655.2 Ų55.263%0.62828%0.282SS*.Hα-helixtrans-64.7-40.717600000112E147 R152 R153E147-A149 PolarHBondContact O-N 2.92Å; E147-A149 VanDerWaalsContact O-N 3.11Å; A149-R152 PolarHBondContact O-N 2.98Å; A149-R153 PolarHBondContact O-N 2.8Å; A149-R153 VanDerWaalsContact O-N 3.08Å
150E97.6Very high97.1Very high73 Ų7356.8 Ų56.834%0.34130%0.303SS..Hα-helixtrans-69.6-42.7177.1175.257.5-165.900111.1E147 R152 R153 R154E147-E150 WeakPolarHBondContact O-CB 3.43Å; E147-E150 PolarHBondContact O-N 3.19Å; E150-R152 VanDerWaalsContact C-N 3.28Å; E150-R152 PolarHBondContact O-N 2.87Å; E150-R153 WeakPolarHBondContact O-CB 3.21Å; E150-R153 PolarHBondContact O-N 3.35Å; E150-R153 VanDerWaalsContact O-N 3.17Å; E150-R153 IonicContact OE1-CZ 3.63Å; E150-R153 IonicContact OE1-NE 3.35Å; E150-R153 IonicContact OE1-NH2 3.47Å; E150-R153 PolarHBondContact OE1-NH2 2.84Å; E150-R153 IonicContact OE2-CZ 2.78Å; E150-R153 IonicContact OE2-NE 2.65Å; E150-R153 PolarHBondContact OE2-NE 2.85Å; E150-R153 IonicContact OE2-NH2 3.63Å; E150-R153 PolarHBondContact OE2-NH2 3.07Å; E150-R154 HydrophobicContact CG-CG 4.5Å; E150-R154 WeakPolarHBondContact O-CB 3.35Å; E150-R154 WeakPolarHBondContact O-CG 3.23Å; E150-R154 PolarHBondContact O-N 3.01Å; E150-R154 WeakPolarHBondContact OE1-CD 3.42Å; E150-R154 WeakPolarHBondContact OE1-CG 3.34Å
151L98.1Very high97.1Very high3 Ų359.2 Ų59.22%0.01632%0.316CS..Hα-helixtrans-59.2-39.2174.8-64.8178.8000112.3L39 T142 E147 V148 G155 L165 L166L39-L151 HydrophobicContact CD1-CD1 4.37Å; L39-L151 HydrophobicContact CD1-CD2 3.64Å; L39-L151 HydrophobicContact CD2-CD2 4.48Å; T142-L151 HydrophobicContact CG2-CD1 4.12Å; E147-L151 PolarHBondContact O-N 3.2Å; V148-L151 PolarHBondContact O-N 2.8Å; L151-G155 PolarHBondContact O-N 2.91Å; L151-L165 HydrophobicContact CB-CB 4.47Å; L151-L166 HydrophobicContact CB-CD2 3.92Å; L151-L166 HydrophobicContact CD1-CD2 4.01Å
152R98.1Very high97Very high101 Ų10161 Ų6138%0.38133%0.328SS..Hα-helixtrans-67.5-41.4175.6-70.1-178.280.3-1766.3112.3V148 A149 E150 G155 Q156 P162 L166V148-R152 VanDerWaalsContact O-CG 3.3Å; V148-R152 WeakPolarHBondContact O-CG 3.32Å; V148-R152 PolarHBondContact O-N 3.13Å; A149-R152 PolarHBondContact O-N 2.98Å; E150-R152 VanDerWaalsContact C-N 3.28Å; E150-R152 PolarHBondContact O-N 2.87Å; R152-G155 PolarHBondContact O-N 2.79Å; R152-Q156 PolarHBondContact O-N 2.94Å; R152-Q156 VanDerWaalsContact O-N 3.07Å; R152-P162 WeakPolarHBondContact CA-O 3.4Å; R152-P162 HydrophobicContact CB-CB 4.23Å; R152-P162 WeakPolarHBondContact CG-O 3.39Å; R152-P162 WeakPolarHBondContact O-CA 3.45Å; R152-L166 HydrophobicContact CG-CD1 3.94Å
153R98.3Very high97Very high110 Ų11063.6 Ų63.642%0.41534%0.341SS..Hα-helixtrans-60.6-51.5176.1-172.4-16969.877.27110.6A149 E150 G155 Q156 E157A149-R153 PolarHBondContact O-N 2.8Å; A149-R153 VanDerWaalsContact O-N 3.08Å; E150-R153 WeakPolarHBondContact O-CB 3.21Å; E150-R153 PolarHBondContact O-N 3.35Å; E150-R153 VanDerWaalsContact O-N 3.17Å; E150-R153 IonicContact OE1-CZ 3.63Å; E150-R153 IonicContact OE1-NE 3.35Å; E150-R153 IonicContact OE1-NH2 3.47Å; E150-R153 PolarHBondContact OE1-NH2 2.84Å; E150-R153 IonicContact OE2-CZ 2.78Å; E150-R153 IonicContact OE2-NE 2.65Å; E150-R153 PolarHBondContact OE2-NE 2.85Å; E150-R153 IonicContact OE2-NH2 3.63Å; E150-R153 PolarHBondContact OE2-NH2 3.07Å; R153-G155 PolarHBondContact O-N 3.19Å; R153-Q156 WeakPolarHBondContact O-CB 3.39Å; R153-Q156 PolarHBondContact O-N 3.15Å; R153-E157 WeakPolarHBondContact CG-OE1 3.39Å; R153-E157 IonicContact CZ-OE1 3.02Å; R153-E157 IonicContact CZ-OE2 3.75Å; R153-E157 IonicContact NH1-OE1 3.53Å; R153-E157 PolarHBondContact NH1-OE1 3.02Å; R153-E157 IonicContact NH1-OE2 2.69Å; R153-E157 PolarHBondContact NH1-OE2 2.82Å; R153-E157 WeakPolarHBondContact O-CG 3.36Å; R153-E157 PolarHBondContact O-N 3.05Å
154R97.9Very high97Very high42 Ų4263.6 Ų63.616%0.15834%0.342CS..Hα-helixtrans-59.8-45.7176.5-73.2-177.559.1-147.1-13.2112.6D36 E150 Q156 E157 E158 L165D36-R154 IonicContact OD2-CZ 3.47Å; D36-R154 IonicContact OD2-NH1 2.88Å; D36-R154 IonicContact OD2-NH2 3.12Å; D36-R154 PolarHBondContact OD2-NH2 3.05Å; E150-R154 HydrophobicContact CG-CG 4.5Å; E150-R154 WeakPolarHBondContact O-CB 3.35Å; E150-R154 WeakPolarHBondContact O-CG 3.23Å; E150-R154 PolarHBondContact O-N 3.01Å; E150-R154 WeakPolarHBondContact OE1-CD 3.42Å; E150-R154 WeakPolarHBondContact OE1-CG 3.34Å; R154-Q156 PolarHBondContact O-N 3Å; R154-E157 PolarHBondContact O-N 2.62Å; R154-E157 VanDerWaalsContact O-N 3.13Å; R154-E158 IonicContact CZ-OE1 3.54Å; R154-E158 IonicContact NE-OE1 2.66Å; R154-E158 PolarHBondContact NE-OE1 3.43Å; R154-E158 IonicContact NH2-OE1 3.73Å; R154-E158 PolarHBondContact NH2-OE1 2.94Å; R154-E158 VanDerWaalsContact NH2-OE1 3.12Å; R154-E158 IonicContact NH2-OE2 3.17Å; R154-E158 PolarHBondContact NH2-OE2 2.77Å; R154-E158 WeakPolarHBondContact O-CB 3.22Å; R154-E158 WeakPolarHBondContact O-CG 3.45Å; R154-E158 PolarHBondContact O-N 2.84Å; R154-L165 HydrophobicContact CB-CD1 3.63Å
155G97.8Very high97.1Very high0 Ų059 Ų590%032%0.324CS..Hα-helixtrans-55-41.7175.700000112.5L151 R152 R153 F159 G160 N161L151-G155 PolarHBondContact O-N 2.91Å; R152-G155 PolarHBondContact O-N 2.79Å; R153-G155 PolarHBondContact O-N 3.19Å; G155-F159 CarbonylContact O-C 2.97Å; G155-F159 WeakPolarHBondContact O-CA 3.37Å; G155-F159 WeakPolarHBondContact O-CB 3.3Å; G155-F159 PolarHBondContact O-N 2.76Å; G155-F159 VanDerWaalsContact O-N 3.08Å; G155-G160 PolarHBondContact O-N 3.22Å; G155-N161 CarbonylContact C-O 3.37Å; G155-N161 WeakPolarHBondContact CA-O 3.5Å; G155-N161 CarbonylContact O-C 3.47Å; G155-N161 PolarHBondContact O-N 2.85Å; G155-N161 VanDerWaalsContact O-N 3.14Å
156Q97.9Very high97.3Very high98 Ų9858.3 Ų58.346%0.45832%0.32SS..Hα-helixtrans-67.9-42.4176.4-176.860.467.500112.9R152 R153 R154 G160 P162R152-Q156 PolarHBondContact O-N 2.94Å; R152-Q156 VanDerWaalsContact O-N 3.07Å; R153-Q156 WeakPolarHBondContact O-CB 3.39Å; R153-Q156 PolarHBondContact O-N 3.15Å; R154-Q156 PolarHBondContact O-N 3Å; Q156-G160 PolarHBondContact NE2-O 2.78Å; Q156-G160 WeakPolarHBondContact O-CA 3.31Å; Q156-G160 PolarHBondContact O-N 3.31Å; Q156-G160 VanDerWaalsContact O-N 3.1Å; Q156-P162 HydrophobicContact CB-CB 4.45Å
157E97.9Very high97.5Very high125 Ų12554.3 Ų54.358%0.58428%0.278SS*.Hα-helixtrans-74.7-42.2-176.9-72.7173.5-170.300113.1R153 R154R153-E157 WeakPolarHBondContact CG-OE1 3.39Å; R153-E157 IonicContact CZ-OE1 3.02Å; R153-E157 IonicContact CZ-OE2 3.75Å; R153-E157 IonicContact NH1-OE1 3.53Å; R153-E157 PolarHBondContact NH1-OE1 3.02Å; R153-E157 IonicContact NH1-OE2 2.69Å; R153-E157 PolarHBondContact NH1-OE2 2.82Å; R153-E157 WeakPolarHBondContact O-CG 3.36Å; R153-E157 PolarHBondContact O-N 3.05Å; R154-E157 PolarHBondContact O-N 2.62Å; R154-E157 VanDerWaalsContact O-N 3.13Å
158E97.3Very high97.6Very high94 Ų9449.8 Ų49.844%0.43926%0.257SS..Hα-helixtrans-86.6-33.7-174.1-63.4172.8-144.700112.2R154R154-E158 IonicContact CZ-OE1 3.54Å; R154-E158 IonicContact NE-OE1 2.66Å; R154-E158 PolarHBondContact NE-OE1 3.43Å; R154-E158 IonicContact NH2-OE1 3.73Å; R154-E158 PolarHBondContact NH2-OE1 2.94Å; R154-E158 VanDerWaalsContact NH2-OE1 3.12Å; R154-E158 IonicContact NH2-OE2 3.17Å; R154-E158 PolarHBondContact NH2-OE2 2.77Å; R154-E158 WeakPolarHBondContact O-CB 3.22Å; R154-E158 WeakPolarHBondContact O-CG 3.45Å; R154-E158 PolarHBondContact O-N 2.84Å
159F96.6Very high97.7Very high79 Ų7948.3 Ų48.335%0.34625%0.248SC..Hα-helixtrans-126.70.3-171.4-53.8-82.5000114.1Q34 G155 N161 A164 L165Q34-F159 HydrophobicContact CB-CD1 4.19Å; Q34-F159 HydrophobicContact CB-CD2 4.32Å; Q34-F159 HydrophobicContact CB-CE1 3.87Å; Q34-F159 HydrophobicContact CB-CE2 4.05Å; Q34-F159 HydrophobicContact CB-CG 4.4Å; Q34-F159 HydrophobicContact CB-CZ 3.81Å; Q34-F159 HydrophobicContact CG-CD1 3.76Å; Q34-F159 HydrophobicContact CG-CE1 3.83Å; Q34-F159 HydrophobicContact CG-CG 4.12Å; Q34-F159 HydrophobicContact CG-CZ 4.28Å; G155-F159 CarbonylContact O-C 2.97Å; G155-F159 WeakPolarHBondContact O-CA 3.37Å; G155-F159 WeakPolarHBondContact O-CB 3.3Å; G155-F159 PolarHBondContact O-N 2.76Å; G155-F159 VanDerWaalsContact O-N 3.08Å; F159-N161 PolarHBondContact O-N 2.81Å; F159-A164 HydrophobicContact CB-CB 3.69Å; F159-A164 HydrophobicContact CD2-CB 3.95Å; F159-A164 HydrophobicContact CG-CB 3.95Å; F159-L165 HydrophobicContact CD2-CD2 4.29Å; F159-L165 HydrophobicContact CD2-CG 4.45Å; F159-L165 HydrophobicContact CE2-CD2 3.67Å; F159-L165 HydrophobicContact CE2-CG 4.21Å; F159-L165 HydrophobicContact CZ-CD2 4.38Å
160G96.8Very high97.7Very high50 Ų5044.7 Ų44.752%0.51522%0.218SC..SBendtrans68.610.5-17700000114.4G155 Q156G155-G160 PolarHBondContact O-N 3.22Å; Q156-G160 PolarHBondContact NE2-O 2.78Å; Q156-G160 WeakPolarHBondContact O-CA 3.31Å; Q156-G160 PolarHBondContact O-N 3.31Å; Q156-G160 VanDerWaalsContact O-N 3.1Å
161N96.3Very high97.7Very high57 Ų5741.2 Ų41.231%0.30520%0.202SC..  trans-141.2116-175.5175.6-0.2000110.6G155 F159 L163 A164G155-N161 CarbonylContact C-O 3.37Å; G155-N161 WeakPolarHBondContact CA-O 3.5Å; G155-N161 CarbonylContact O-C 3.47Å; G155-N161 PolarHBondContact O-N 2.85Å; G155-N161 VanDerWaalsContact O-N 3.14Å; F159-N161 PolarHBondContact O-N 2.81Å; N161-L163 PolarHBondContact O-N 2.85Å; N161-L163 WeakPolarHBondContact OD1-CB 3.43Å; N161-L163 PolarHBondContact OD1-N 3.31Å; N161-A164 HydrophobicContact CB-CB 4.2Å; N161-A164 WeakPolarHBondContact O-CB 3.19Å; N161-A164 PolarHBondContact O-N 3.22Å
162P97.1Very high97.8Very high39 Ų3941.3 Ų41.325%0.25320%0.203SC..THydrogen-bonded Turntrans-67.8-11.3-176.230.4-35.1000113.3R152 Q156R152-P162 WeakPolarHBondContact CA-O 3.4Å; R152-P162 HydrophobicContact CB-CB 4.23Å; R152-P162 WeakPolarHBondContact CG-O 3.39Å; R152-P162 WeakPolarHBondContact O-CA 3.45Å; Q156-P162 HydrophobicContact CB-CB 4.45Å
163L96.9Very high97.8Very high53 Ų5336.6 Ų36.628%0.27719%0.186SC..THydrogen-bonded Turntrans-99.1-1.9177.2-50.6-177.8000112.6R64 N161 L165 L166 Q168R64-L163 PolarHBondContact NH2-O 3.15Å; N161-L163 PolarHBondContact O-N 2.85Å; N161-L163 WeakPolarHBondContact OD1-CB 3.43Å; N161-L163 PolarHBondContact OD1-N 3.31Å; L163-L165 VanDerWaalsContact C-N 3.28Å; L163-L165 PolarHBondContact O-N 2.79Å; L163-L166 HydrophobicContact CD2-CD1 3.99Å; L163-L166 PolarHBondContact O-N 3.39Å; L163-L166 VanDerWaalsContact O-N 3.07Å; L163-Q168 HydrophobicContact CB-CG 4.38Å
164A97.7Very high97.8Very high5 Ų531.4 Ų31.44%0.04117%0.166CC..THydrogen-bonded Turntrans-57-41.3-174.400000112.6R33 Q34 F159 N161R33-A164 WeakPolarHBondContact CG-O 3.42Å; Q34-A164 HydrophobicContact CB-CB 4.31Å; Q34-A164 HydrophobicContact CG-CB 4.09Å; Q34-A164 PolarHBondContact N-O 3.16Å; F159-A164 HydrophobicContact CB-CB 3.69Å; F159-A164 HydrophobicContact CD2-CB 3.95Å; F159-A164 HydrophobicContact CG-CB 3.95Å; N161-A164 HydrophobicContact CB-CB 4.2Å; N161-A164 WeakPolarHBondContact O-CB 3.19Å; N161-A164 PolarHBondContact O-N 3.22Å
165L98.4Very high97.8Very high0 Ų029.4 Ų29.40%016%0.159CC..THydrogen-bonded Turntrans-91.49.2-179.3-60.7-178.8000113.7R33 Q34 L39 T142 L151 R154 F159 L163R33-L165 VanDerWaalsContact CD-O 3.26Å; R33-L165 WeakPolarHBondContact CD-O 3.32Å; Q34-L165 HydrophobicContact CB-CD2 3.96Å; Q34-L165 VanDerWaalsContact O-CD2 3.26Å; Q34-L165 WeakPolarHBondContact O-CD2 3.31Å; L39-L165 HydrophobicContact CD2-CB 4.06Å; L39-L165 HydrophobicContact CD2-CD2 3.93Å; L39-L165 HydrophobicContact CD2-CG 4.44Å; T142-L165 WeakPolarHBondContact CG2-O 3.42Å; L151-L165 HydrophobicContact CB-CB 4.47Å; R154-L165 HydrophobicContact CB-CD1 3.63Å; F159-L165 HydrophobicContact CD2-CD2 4.29Å; F159-L165 HydrophobicContact CD2-CG 4.45Å; F159-L165 HydrophobicContact CE2-CD2 3.67Å; F159-L165 HydrophobicContact CE2-CG 4.21Å; F159-L165 HydrophobicContact CZ-CD2 4.38Å; L163-L165 VanDerWaalsContact C-N 3.28Å; L163-L165 PolarHBondContact O-N 2.79Å
166L98.5Very high97.8Very high0 Ų029.4 Ų29.40%016%0.159CC..SBendtrans-106.6144.2-179.7-58.9-174.4000112.1R33 R64 V148 L151 R152 L163 Q168 A274R33-L166 VanDerWaalsContact CD-C 3.48Å; R33-L166 WeakPolarHBondContact CG-O 3.44Å; R64-L166 PolarHBondContact NE-O 2.8Å; R64-L166 VanDerWaalsContact NE-O 3.11Å; R64-L166 PolarHBondContact NH2-O 2.98Å; V148-L166 HydrophobicContact CG2-CD1 4.36Å; V148-L166 HydrophobicContact CG2-CD2 4.06Å; L151-L166 HydrophobicContact CB-CD2 3.92Å; L151-L166 HydrophobicContact CD1-CD2 4.01Å; R152-L166 HydrophobicContact CG-CD1 3.94Å; L163-L166 HydrophobicContact CD2-CD1 3.99Å; L163-L166 PolarHBondContact O-N 3.39Å; L163-L166 VanDerWaalsContact O-N 3.07Å; L166-Q168 HydrophobicContact CB-CG 3.87Å; L166-Q168 VanDerWaalsContact CD1-NE2 3.33Å; L166-A274 HydrophobicContact CD1-CB 4.09Å
167A98.3Very high97.8Very high0 Ų025.1 Ų25.10%014%0.14CC..  trans-62-43.3-179.200000112.2R64 T134 D138 T142 N143R64-A167 WeakPolarHBondContact CD-O 3.25Å; R64-A167 WeakPolarHBondContact CG-O 3.25Å; R64-A167 PolarHBondContact NE-O 3.45Å; T134-A167 HydrophobicContact CG2-CB 4.48Å; T134-A167 WeakPolarHBondContact OG1-CB 3.37Å; D138-A167 HydrophobicContact CB-CB 3.94Å; T142-A167 VanDerWaalsContact OG1-CB 3.31Å; T142-A167 WeakPolarHBondContact OG1-CB 3.44Å; T142-A167 PolarHBondContact OG1-N 3.47Å; T142-A167 VanDerWaalsContact OG1-N 3.08Å; N143-A167 PolarHBondContact OD1-N 3.46Å; N143-A167 VanDerWaalsContact OD1-N 3.1Å
168Q98.1Very high97.9Very high4 Ų419.5 Ų19.52%0.01911%0.114CC..  trans48.252.5177.8-60-63.9-34.300113.8R64 L65 N143 L163 L166 L170 A274 G275 P277R64-Q168 HydrophobicContact CG-CB 4.32Å; L65-Q168 PolarHBondContact N-O 2.91Å; N143-Q168 PolarHBondContact ND2-NE2 3.05Å; N143-Q168 PolarHBondContact OD1-N 2.98Å; L163-Q168 HydrophobicContact CB-CG 4.38Å; L166-Q168 HydrophobicContact CB-CG 3.87Å; L166-Q168 VanDerWaalsContact CD1-NE2 3.33Å; Q168-L170 PolarHBondContact O-N 3.38Å; Q168-A274 PolarHBondContact NE2-O 3.35Å; Q168-G275 PolarHBondContact OE1-O 3Å; Q168-G275 VanDerWaalsContact OE1-O 3.12Å; Q168-P277 VanDerWaalsContact OE1-CD 3.26Å
169P98.3Very high97.9Very high5 Ų519.1 Ų19.13%0.03212%0.121CC..BIsolated β-bridgetrans-64130.8177.328.5-34.1000110.2K62 F63 T134 Y139 G171 R276K62-P169 HydrophobicContact CB-CB 3.98Å; K62-P169 HydrophobicContact CG-CB 4.43Å; F63-P169 CarbonylContact O-C 3.47Å; F63-P169 WeakPolarHBondContact O-CA 3.34Å; T134-P169 HydrophobicContact CG2-CB 3.88Å; Y139-P169 HydrophobicContact CD2-CG 3.66Å; Y139-P169 HydrophobicContact CE2-CG 4.44Å; Y139-P169 HydrophobicContact CG-CG 4.07Å; P169-G171 PolarHBondContact O-N 3.39Å; P169-R276 HydrophobicContact CG-CG 4.33Å; P169-R276 VanDerWaalsContact O-CG 3.28Å; P169-R276 WeakPolarHBondContact O-CG 3.41Å
170L98.5Very high98Very high0 Ų018.7 Ų18.70%012%0.122CC..PPolyproline II helixtrans-75.2118.6178.518059.9000109.8F63 L65 L131 Q168 P206 L240 P277F63-L170 HydrophobicContact CB-CB 4.46Å; F63-L170 PolarHBondContact O-N 3.34Å; L65-L170 HydrophobicContact CB-CB 4.33Å; L65-L170 HydrophobicContact CB-CD1 4.25Å; L65-L170 HydrophobicContact CD2-CD1 4.29Å; L131-L170 HydrophobicContact CD2-CD2 4.05Å; Q168-L170 PolarHBondContact O-N 3.38Å; L170-P206 WeakPolarHBondContact O-CD 3.3Å; L170-L240 HydrophobicContact CD2-CD2 4.05Å; L170-P277 HydrophobicContact CD1-CB 4.23Å; L170-P277 HydrophobicContact CD1-CG 4.33Å
171G98Very high98Very high1 Ų117.6 Ų17.61%0.0111%0.111CC..EExtended strand (participates in β ladder)trans-87.5171.3168.900000112.7P169 G204 P277 S278 S279P169-G171 PolarHBondContact O-N 3.39Å; G171-G204 WeakPolarHBondContact CA-O 3.47Å; G171-P277 PolarHBondContact N-O 3.36Å; G171-S278 WeakPolarHBondContact O-CA 3.49Å; G171-S279 PolarHBondContact O-N 2.99Å
172V98.3Very high98.1Very high4 Ų417 Ų172%0.02411%0.106CC..EExtended strand (participates in β ladder)trans-132146.4166.9-65.30000110G203 G204 P206 I244 S279 F281V172-G203 CarbonylContact O-C 3.59Å; V172-G203 WeakPolarHBondContact O-CA 3.28Å; V172-G204 PolarHBondContact N-O 2.79Å; V172-G204 PolarHBondContact O-N 2.82Å; V172-P206 HydrophobicContact CG1-CG 3.96Å; V172-I244 HydrophobicContact CB-CB 4.26Å; V172-I244 HydrophobicContact CB-CD1 4.48Å; V172-I244 HydrophobicContact CG2-CB 4.05Å; V172-I244 HydrophobicContact CG2-CD1 4.17Å; V172-S279 VanDerWaalsContact CA-O 3.3Å; V172-S279 WeakPolarHBondContact CA-O 3.34Å; V172-F281 HydrophobicContact CB-CE2 4.17Å; V172-F281 HydrophobicContact CG1-CE2 3.91Å
173G98.3Very high98.2Very high3 Ų315.2 Ų15.23%0.0319%0.094CC..EExtended strand (participates in β ladder)trans-144.8157.4174.200000111.6P202 S279 E280 F281G173-P202 WeakPolarHBondContact CA-O 3.37Å; G173-S279 PolarHBondContact N-O 2.84Å; G173-E280 VanDerWaalsContact CA-OE2 3.28Å; G173-E280 WeakPolarHBondContact CA-OE2 3.15Å; G173-E280 WeakPolarHBondContact O-CA 3.39Å; G173-F281 PolarHBondContact O-N 3.18Å
174A98.1Very high98.2Very high0 Ų012.7 Ų12.70%08%0.081CC..EExtended strand (participates in β ladder)trans-128.5128.7179.200000114.3L176 I201 P202 I244 I248 F281 I283A174-L176 PolarHBondContact O-N 3.17Å; A174-I201 WeakPolarHBondContact O-CB 3.45Å; A174-P202 PolarHBondContact N-O 3.04Å; A174-I244 HydrophobicContact CB-CD1 3.71Å; A174-I244 HydrophobicContact CB-CG1 3.58Å; A174-I248 HydrophobicContact CB-CD1 3.79Å; A174-F281 CarbonylContact C-O 3.51Å; A174-F281 VanDerWaalsContact CA-O 3.31Å; A174-F281 WeakPolarHBondContact CA-O 3.25Å; A174-I283 HydrophobicContact CB-CD1 3.96Å; A174-I283 HydrophobicContact CB-CG1 4.38Å
175V98.5Very high98.3Very high0 Ų012.5 Ų12.50%08%0.079CC..EExtended strand (participates in β ladder)trans-78.595155.3-175.30000108.1V183 M265 F281 I283 A337 M338 Y341V175-V183 HydrophobicContact CG1-CG1 3.8Å; V175-V183 HydrophobicContact CG1-CG2 4.27Å; V175-M265 HydrophobicContact CB-CE 3.95Å; V175-M265 HydrophobicContact CG2-CE 3.46Å; V175-M265 VanDerWaalsContact CG2-CE 3.46Å; V175-F281 PolarHBondContact N-O 2.81Å; V175-I283 PolarHBondContact O-N 3.35Å; V175-I283 VanDerWaalsContact O-N 3.08Å; V175-A337 HydrophobicContact CG2-CB 3.83Å; V175-M338 HydrophobicContact CB-CE 4.43Å; V175-M338 HydrophobicContact CG1-CE 4.18Å; V175-M338 HydrophobicContact CG2-CE 3.49Å; V175-M338 VanDerWaalsContact CG2-CE 3.49Å; V175-Y341 HydrophobicContact CB-CD2 4.2Å; V175-Y341 HydrophobicContact CG1-CD1 4.46Å; V175-Y341 HydrophobicContact CG1-CD2 3.61Å; V175-Y341 HydrophobicContact CG1-CE2 3.93Å; V175-Y341 HydrophobicContact CG1-CG 3.89Å
176L98.5Very high98.2Very high0 Ų012.5 Ų12.50%08%0.079CC..EExtended strand (participates in β ladder)trans-88.8115.9-179.5177.365.5000110.5A174 V183 V184 I248 I254 L259 I283 C285A174-L176 PolarHBondContact O-N 3.17Å; L176-V183 WeakPolarHBondContact O-CA 3.37Å; L176-V184 HydrophobicContact CB-CB 4.18Å; L176-V184 HydrophobicContact CB-CG2 4.31Å; L176-V184 HydrophobicContact CD2-CB 3.98Å; L176-V184 HydrophobicContact CD2-CG1 4.39Å; L176-V184 HydrophobicContact CD2-CG2 3.78Å; L176-V184 HydrophobicContact CG-CB 4.27Å; L176-V184 HydrophobicContact CG-CG2 3.92Å; L176-V184 PolarHBondContact O-N 3.25Å; L176-I248 HydrophobicContact CD1-CD1 4.34Å; L176-I248 HydrophobicContact CD2-CG2 3.94Å; L176-I254 HydrophobicContact CD2-CD1 3.51Å; L176-L259 HydrophobicContact CD1-CD2 3.82Å; L176-I283 WeakPolarHBondContact CA-O 3.19Å; L176-I283 HydrophobicContact CD1-CB 4.18Å; L176-I283 HydrophobicContact CD1-CG2 3.97Å; L176-C285 HydrophobicContact CD1-CB 3.83Å
177C98.4Very high98Very high8 Ų815.3 Ų15.35%0.0549%0.09CC..EExtended strand (participates in β ladder)trans-107.5119.3-178.9-75.40000112Q182 Y282 I283 S284 C285C177-Q182 WeakPolarHBondContact CA-O 3.43Å; C177-Y282 HydrophobicContact CB-CE2 3.75Å; C177-I283 PolarHBondContact N-O 3.46Å; C177-S284 CarbonylContact O-C 3.53Å; C177-C285 WeakPolarHBondContact O-CB 3.43Å; C177-C285 PolarHBondContact O-N 3.2Å
178T98.6Very high97.8Very high8 Ų817.2 Ų17.25%0.04910%0.097CC..  trans-72.9161.4174.654.30000112.9D180 G181 Q182 V184 L287 V292 F311T178-D180 VanDerWaalsContact CB-OD1 3.23Å; T178-D180 WeakPolarHBondContact CB-OD1 3.27Å; T178-D180 PolarHBondContact O-N 2.66Å; T178-D180 PolarHBondContact OG1-OD1 3.06Å; T178-G181 PolarHBondContact O-N 3.17Å; T178-Q182 PolarHBondContact N-O 3.23Å; T178-Q182 WeakPolarHBondContact OG1-CA 3.23Å; T178-Q182 VanDerWaalsContact OG1-CB 3.23Å; T178-Q182 WeakPolarHBondContact OG1-CB 3.27Å; T178-Q182 PolarHBondContact OG1-N 3.39Å; T178-Q182 PolarHBondContact OG1-O 2.87Å; T178-V184 HydrophobicContact CG2-CG2 3.83Å; T178-L287 WeakPolarHBondContact CA-O 3.35Å; T178-L287 VanDerWaalsContact CB-O 3.27Å; T178-L287 WeakPolarHBondContact CB-O 3.26Å; T178-V292 HydrophobicContact CG2-CG2 3.89Å; T178-F311 HydrophobicContact CG2-CE1 4.43Å
179C98Very high97.5Very high85 Ų8517.5 Ų17.557%0.57410%0.099SC*.THydrogen-bonded Turntrans-68.5-17.3-17770.30000113.9C285 S286 L287 S288C179-C285 PolarHBondContact N-O 2.9Å; C179-C285 VanDerWaalsContact N-O 3.12Å; C179-S286 PolarHBondContact SG-O 3.14Å; C179-L287 PolarHBondContact N-O 3.38Å; C179-S288 PolarHBondContact SG-N 2.69Å; C179-S288 VanDerWaalsContact SG-N 3.41Å
180D98.3Very high97.1Very high71 Ų7124.4 Ų24.438%0.3813%0.132SC..THydrogen-bonded Turntrans-95.717.3173.661.9-32.2000113.2T178 S288 S289T178-D180 VanDerWaalsContact CB-OD1 3.23Å; T178-D180 WeakPolarHBondContact CB-OD1 3.27Å; T178-D180 PolarHBondContact O-N 2.66Å; T178-D180 PolarHBondContact OG1-OD1 3.06Å; D180-S288 WeakPolarHBondContact OD1-CA 3.44Å; D180-S289 PolarHBondContact OD1-N 2.71Å; D180-S289 WeakPolarHBondContact OD2-CB 3.49Å; D180-S289 PolarHBondContact OD2-N 3.11Å; D180-S289 PolarHBondContact OD2-OG 3.15Å
181G97.1Very high96.4Very high27 Ų2733.8 Ų33.828%0.27817%0.172SC..SBendtrans75.429.1169.300000114.4T178 T314T178-G181 PolarHBondContact O-N 3.17Å; G181-T314 PolarHBondContact O-N 3.44Å
182Q98.4Very high95.7Very high45 Ų4535.4 Ų35.421%0.2118%0.182CC..EExtended strand (participates in β ladder)trans-105.8138.6173-51.1-66.2-56.300111.5C177 T178 F311 L312C177-Q182 WeakPolarHBondContact CA-O 3.43Å; T178-Q182 PolarHBondContact N-O 3.23Å; T178-Q182 WeakPolarHBondContact OG1-CA 3.23Å; T178-Q182 VanDerWaalsContact OG1-CB 3.23Å; T178-Q182 WeakPolarHBondContact OG1-CB 3.27Å; T178-Q182 PolarHBondContact OG1-N 3.39Å; T178-Q182 PolarHBondContact OG1-O 2.87Å; Q182-F311 HydrophobicContact CB-CB 4.08Å; Q182-F311 HydrophobicContact CB-CD1 4.04Å; Q182-F311 HydrophobicContact CG-CB 4.42Å; Q182-L312 CarbonylContact C-O 3.57Å; Q182-L312 WeakPolarHBondContact CA-O 3.3Å
183V98.4Very high94.7Very high0 Ų038.9 Ų38.90%021%0.211CC..EExtended strand (participates in β ladder)trans-87.4130.3167.4-179.70000109V175 L176 F185 F311 L312 T314 V317 M338V175-V183 HydrophobicContact CG1-CG1 3.8Å; V175-V183 HydrophobicContact CG1-CG2 4.27Å; L176-V183 WeakPolarHBondContact O-CA 3.37Å; V183-F185 HydrophobicContact CB-CE2 3.92Å; V183-F185 HydrophobicContact CG1-CD2 4.22Å; V183-F185 HydrophobicContact CG1-CE2 3.57Å; V183-F185 HydrophobicContact CG1-CZ 3.94Å; V183-F311 WeakPolarHBondContact O-CA 3.49Å; V183-L312 PolarHBondContact N-O 3.03Å; V183-L312 PolarHBondContact O-N 3.48Å; V183-L312 VanDerWaalsContact O-N 3.15Å; V183-T314 HydrophobicContact CG2-CG2 4.26Å; V183-V317 HydrophobicContact CB-CG2 3.92Å; V183-V317 HydrophobicContact CG1-CG2 4.41Å; V183-V317 HydrophobicContact CG2-CB 4.29Å; V183-V317 HydrophobicContact CG2-CG1 4.48Å; V183-V317 HydrophobicContact CG2-CG2 3.77Å; V183-M338 HydrophobicContact CG1-CE 4.4Å
184V98.4Very high93.9Very high0 Ų040.5 Ų40.50%022%0.218CC..EExtended strand (participates in β ladder)trans-85.5127.7179.3-172.30000110.3L176 T178 V252 V292 V309 F311L176-V184 HydrophobicContact CB-CB 4.18Å; L176-V184 HydrophobicContact CB-CG2 4.31Å; L176-V184 HydrophobicContact CD2-CB 3.98Å; L176-V184 HydrophobicContact CD2-CG1 4.39Å; L176-V184 HydrophobicContact CD2-CG2 3.78Å; L176-V184 HydrophobicContact CG-CB 4.27Å; L176-V184 HydrophobicContact CG-CG2 3.92Å; L176-V184 PolarHBondContact O-N 3.25Å; T178-V184 HydrophobicContact CG2-CG2 3.83Å; V184-V252 HydrophobicContact CG1-CG1 4.43Å; V184-V292 HydrophobicContact CG1-CG1 4.39Å; V184-V292 HydrophobicContact CG2-CG1 4.28Å; V184-V309 HydrophobicContact CG1-CG2 3.68Å; V184-F311 HydrophobicContact CG1-CE1 4.39Å; V184-F311 HydrophobicContact CG2-CD1 4.18Å; V184-F311 HydrophobicContact CG2-CE1 3.87Å
185F98.1Very high93.4Very high1 Ų141.9 Ų41.90%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-120.2158.7169.3-66.9-91.6000109.5V183 L199 D200 I201 V309 V310 L312 V317 M330 M338V183-F185 HydrophobicContact CB-CE2 3.92Å; V183-F185 HydrophobicContact CG1-CD2 4.22Å; V183-F185 HydrophobicContact CG1-CE2 3.57Å; V183-F185 HydrophobicContact CG1-CZ 3.94Å; F185-L199 HydrophobicContact CB-CD2 4.43Å; F185-D200 CarbonylContact C-O 3.58Å; F185-D200 WeakPolarHBondContact CA-O 3.49Å; F185-I201 HydrophobicContact CD1-CG2 4.19Å; F185-I201 HydrophobicContact CE1-CG2 4.14Å; F185-V309 CarbonylContact O-C 3.55Å; F185-V309 WeakPolarHBondContact O-CA 3.46Å; F185-V309 WeakPolarHBondContact O-CG2 3.27Å; F185-V310 HydrophobicContact CB-CB 4.18Å; F185-V310 PolarHBondContact N-O 2.97Å; F185-V310 PolarHBondContact O-N 3.01Å; F185-L312 HydrophobicContact CD2-CB 4.46Å; F185-L312 HydrophobicContact CD2-CD1 4.03Å; F185-L312 HydrophobicContact CD2-CG 4Å; F185-L312 HydrophobicContact CE2-CB 3.96Å; F185-L312 HydrophobicContact CE2-CD1 3.45Å; F185-L312 VanDerWaalsContact CE2-CD1 3.45Å; F185-L312 HydrophobicContact CE2-CG 3.75Å; F185-L312 HydrophobicContact CZ-CD1 3.89Å; F185-V317 HydrophobicContact CE2-CG2 4.1Å; F185-V317 HydrophobicContact CZ-CG2 4.2Å; F185-M330 HydrophobicContact CD1-CE 4.3Å; F185-M330 HydrophobicContact CE1-CE 3.52Å; F185-M330 HydrophobicContact CZ-CE 4.33Å; F185-M338 HydrophobicContact CE1-CE 4Å; F185-M338 HydrophobicContact CE1-CG 4.47Å; F185-M338 HydrophobicContact CE1-SD 4.03Å; F185-M338 HydrophobicContact CZ-CE 3.88Å; F185-M338 HydrophobicContact CZ-CG 4.43Å; F185-M338 HydrophobicContact CZ-SD 3.55Å; F185-M338 VanDerWaalsContact CZ-SD 3.55Å
186I96.4Very high93Very high0 Ų043.1 Ų43.10%024%0.242CC..EExtended strand (participates in β ladder)trans-120.2148.8172.953.9169.4000109.6L199 D200 E251 V252 D308I186-L199 CarbonylContact O-C 3.59Å; I186-L199 WeakPolarHBondContact O-CA 3.43Å; I186-D200 HydrophobicContact CD1-CB 4.12Å; I186-D200 HydrophobicContact CG1-CB 3.87Å; I186-D200 WeakPolarHBondContact CG1-O 3.49Å; I186-D200 PolarHBondContact N-O 2.89Å; I186-D200 PolarHBondContact O-N 2.68Å; I186-E251 VanDerWaalsContact CD1-CD 3.41Å; I186-E251 WeakPolarHBondContact CD1-OE1 3.45Å; I186-E251 WeakPolarHBondContact CD1-OE2 3.49Å; I186-V252 HydrophobicContact CG2-CG2 4.46Å; I186-D308 CarbonylContact C-O 3.53Å; I186-D308 WeakPolarHBondContact CA-O 3.5Å
187R96.1Very high92.7Very high59 Ų5943.8 Ų43.822%0.22325%0.249CC..EExtended strand (participates in β ladder)trans-96.2112.7168.6-174.26960.4161.31.3107.8G197 L199 S306 T307 D308 E329R187-G197 WeakPolarHBondContact CD-O 3.18Å; R187-G197 PolarHBondContact NH1-O 2.86Å; R187-L199 HydrophobicContact CB-CD2 4.49Å; R187-S306 CarbonylContact O-C 3.58Å; R187-S306 VanDerWaalsContact O-CA 3.29Å; R187-S306 WeakPolarHBondContact O-CA 3.39Å; R187-S306 WeakPolarHBondContact O-CB 3.33Å; R187-T307 PolarHBondContact O-N 3.2Å; R187-T307 PolarHBondContact O-OG1 2.68Å; R187-D308 HydrophobicContact CB-CB 3.79Å; R187-D308 PolarHBondContact N-O 3.07Å; R187-E329 IonicContact CZ-OE2 2.68Å; R187-E329 IonicContact NH1-OE2 3.05Å; R187-E329 PolarHBondContact NH1-OE2 3.48Å; R187-E329 IonicContact NH2-OE2 3.91Å; R187-E329 PolarHBondContact NH2-OE2 3.31Å; R187-E329 VanDerWaalsContact NH2-OE2 3.15Å
188R94.2Very high92.6Very high41 Ų4146.1 Ų46.116%0.15526%0.261CS..EExtended strand (participates in β ladder)trans-60.7139.2179.3-63179.465.4719.7110.6V192 E194 A195 G197 L198 D200R188-V192 HydrophobicContact CB-CG2 4.41Å; R188-E194 PolarHBondContact NE-O 2.91Å; R188-E194 PolarHBondContact NH2-O 3.42Å; R188-A195 WeakPolarHBondContact CD-O 3.39Å; R188-G197 WeakPolarHBondContact O-CA 3.4Å; R188-G197 PolarHBondContact O-N 3.14Å; R188-L198 WeakPolarHBondContact CB-O 3.41Å; R188-L198 WeakPolarHBondContact CG-O 3.31Å; R188-L198 PolarHBondContact N-O 2.75Å; R188-D200 WeakPolarHBondContact CD-OD2 3.35Å; R188-D200 HydrophobicContact CG-CB 3.76Å; R188-D200 IonicContact CZ-OD2 3.05Å; R188-D200 IonicContact NE-OD2 3.6Å; R188-D200 IonicContact NH1-OD2 3.95Å; R188-D200 PolarHBondContact NH1-OD2 3.2Å
189S90.7Very high92.5Very high9 Ų945.8 Ų45.86%0.06326%0.259CS..  trans-59.2150.3173.5175.10000111.1K191 V192 G196 E305S189-K191 PolarHBondContact O-N 2.9Å; S189-K191 PolarHBondContact OG-N 3.16Å; S189-V192 VanDerWaalsContact O-CG2 3.27Å; S189-V192 WeakPolarHBondContact O-CG2 3.27Å; S189-G196 VanDerWaalsContact O-CA 3.28Å; S189-G196 WeakPolarHBondContact O-CA 3.45Å; S189-E305 WeakPolarHBondContact CB-O 3.44Å; S189-E305 PolarHBondContact N-O 3.27Å
190Q89.6Confident92.4Very high151 Ų15142.4 Ų42.471%0.70624%0.235SC*.THydrogen-bonded Turntrans-70.9-9.1173.5-68.3-68.7-2.800112.9G196Q190-G196 PolarHBondContact OE1-O 2.9Å
191K84.1Confident92.3Very high197 Ų19739.1 Ų39.186%0.85722%0.217SC*.THydrogen-bonded Turntrans-93.4-8.4-175.1-60-178.6-177.91760113.8S189S189-K191 PolarHBondContact O-N 2.9Å; S189-K191 PolarHBondContact OG-N 3.16Å
192V83.2Confident92.3Very high34 Ų3437.9 Ų37.921%0.20620%0.204CC..SBendtrans-75.9154.3177.8-57.50000110.9R188 S189 E194R188-V192 HydrophobicContact CB-CG2 4.41Å; S189-V192 VanDerWaalsContact O-CG2 3.27Å; S189-V192 WeakPolarHBondContact O-CG2 3.27Å; V192-E194 WeakPolarHBondContact CG2-O 3.38Å
193A76.6Confident92.1Very high78 Ų7836.9 Ų36.965%0.64521%0.206SC*.SBendtrans-72.3-31-176.800000114
194E82.2Confident91.9Very high36 Ų3637.9 Ų37.917%0.16822%0.216CC..SBendtrans-116.8131.3-177.7-172.9174.3-173.800110.6W144 R188 V192 G196 N270 R276W144-E194 HydrophobicContact CH2-CB 4.33Å; W144-E194 HydrophobicContact CH2-CG 4.04Å; W144-E194 HydrophobicContact CZ3-CG 4.22Å; R188-E194 PolarHBondContact NE-O 2.91Å; R188-E194 PolarHBondContact NH2-O 3.42Å; V192-E194 WeakPolarHBondContact CG2-O 3.38Å; E194-G196 PolarHBondContact O-N 3.46Å; E194-N270 PolarHBondContact OE1-ND2 2.99Å; E194-R276 IonicContact OE1-NH2 3.77Å; E194-R276 IonicContact OE2-NH2 2.62Å; E194-R276 PolarHBondContact OE2-NH2 3.12Å
195A86.8Confident91.5Very high29 Ų2940.5 Ų40.524%0.2423%0.229CC..SBendtrans56.637.2169.800000115.7R188 G197 L198 C331R188-A195 WeakPolarHBondContact CD-O 3.39Å; A195-G197 PolarHBondContact O-N 3.29Å; A195-L198 HydrophobicContact CB-CB 4.37Å; A195-L198 HydrophobicContact CB-CD1 3.91Å; A195-L198 HydrophobicContact CB-CG 4.31Å; A195-L198 WeakPolarHBondContact O-CB 3.48Å; A195-L198 PolarHBondContact O-N 2.92Å; A195-C331 HydrophobicContact CB-CB 3.92Å
196G90.8Very high91.2Very high27 Ų2740.5 Ų40.528%0.27823%0.229SC..THydrogen-bonded Turntrans-55.7132.7179.500000113.4S189 Q190 E194 L198S189-G196 VanDerWaalsContact O-CA 3.28Å; S189-G196 WeakPolarHBondContact O-CA 3.45Å; Q190-G196 PolarHBondContact OE1-O 2.9Å; E194-G196 PolarHBondContact O-N 3.46Å; G196-L198 VanDerWaalsContact C-N 3.25Å; G196-L198 PolarHBondContact O-N 3.46Å
197G92.7Very high91Very high14 Ų1443.7 Ų43.714%0.14424%0.244CC..THydrogen-bonded Turntrans78.3-5.9-178.700000116.3R187 R188 A195R187-G197 WeakPolarHBondContact CD-O 3.18Å; R187-G197 PolarHBondContact NH1-O 2.86Å; R188-G197 WeakPolarHBondContact O-CA 3.4Å; R188-G197 PolarHBondContact O-N 3.14Å; A195-G197 PolarHBondContact O-N 3.29Å
198L95.8Very high90.9Very high56 Ų5640.9 Ų40.929%0.29323%0.233SC..  trans-79.4158.3175.9-59.6-169.7000111.3R188 A195 G196 E329 C331R188-L198 WeakPolarHBondContact CB-O 3.41Å; R188-L198 WeakPolarHBondContact CG-O 3.31Å; R188-L198 PolarHBondContact N-O 2.75Å; A195-L198 HydrophobicContact CB-CB 4.37Å; A195-L198 HydrophobicContact CB-CD1 3.91Å; A195-L198 HydrophobicContact CB-CG 4.31Å; A195-L198 WeakPolarHBondContact O-CB 3.48Å; A195-L198 PolarHBondContact O-N 2.92Å; G196-L198 VanDerWaalsContact C-N 3.25Å; G196-L198 PolarHBondContact O-N 3.46Å; L198-E329 CarbonylContact C-O 3.35Å; L198-E329 VanDerWaalsContact CA-O 3.31Å; L198-E329 WeakPolarHBondContact CA-O 3.38Å; L198-E329 WeakPolarHBondContact CB-O 2.96Å; L198-C331 HydrophobicContact CB-CB 4.3Å; L198-C331 HydrophobicContact CD1-CB 4.3Å
199L96.6Very high90.7Very high1 Ų142 Ų421%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-74.3135.7167-73.2174000110.1F185 I186 R187 V310 L326 E329 M330 C331F185-L199 HydrophobicContact CB-CD2 4.43Å; I186-L199 CarbonylContact O-C 3.59Å; I186-L199 WeakPolarHBondContact O-CA 3.43Å; R187-L199 HydrophobicContact CB-CD2 4.49Å; L199-V310 HydrophobicContact CD2-CB 4.21Å; L199-V310 HydrophobicContact CD2-CG2 3.95Å; L199-L326 HydrophobicContact CD1-CD1 3.37Å; L199-L326 HydrophobicContact CD1-CD2 4.29Å; L199-L326 HydrophobicContact CD1-CG 3.81Å; L199-E329 PolarHBondContact N-O 2.94Å; L199-M330 HydrophobicContact CB-CG 4.12Å; L199-M330 WeakPolarHBondContact O-CA 3.39Å; L199-C331 PolarHBondContact O-N 3.44Å; L199-C331 PolarHBondContact O-SG 3.01Å
200D97Very high90.7Very high14 Ų1442.8 Ų42.88%0.07525%0.246CC..EExtended strand (participates in β ladder)trans-134.7172.8176.4-152.2-9.6000110F185 I186 R188 C331 S333F185-D200 CarbonylContact C-O 3.58Å; F185-D200 WeakPolarHBondContact CA-O 3.49Å; I186-D200 HydrophobicContact CD1-CB 4.12Å; I186-D200 HydrophobicContact CG1-CB 3.87Å; I186-D200 WeakPolarHBondContact CG1-O 3.49Å; I186-D200 PolarHBondContact N-O 2.89Å; I186-D200 PolarHBondContact O-N 2.68Å; R188-D200 WeakPolarHBondContact CD-OD2 3.35Å; R188-D200 HydrophobicContact CG-CB 3.76Å; R188-D200 IonicContact CZ-OD2 3.05Å; R188-D200 IonicContact NE-OD2 3.6Å; R188-D200 IonicContact NH1-OD2 3.95Å; R188-D200 PolarHBondContact NH1-OD2 3.2Å; D200-C331 PolarHBondContact OD1-SG 3.44Å; D200-S333 PolarHBondContact OD1-OG 2.68Å; D200-S333 VanDerWaalsContact OD1-OG 3.12Å
201I96.3Very high90.8Very high3 Ų335.6 Ų35.62%0.01521%0.212CC..  trans-100.2157.3165.349.1163.4000108.9A174 F185 G203 E280 A334 A337 M338A174-I201 WeakPolarHBondContact O-CB 3.45Å; F185-I201 HydrophobicContact CD1-CG2 4.19Å; F185-I201 HydrophobicContact CE1-CG2 4.14Å; I201-G203 PolarHBondContact O-N 2.88Å; I201-E280 VanDerWaalsContact CD1-OE2 3.3Å; I201-E280 WeakPolarHBondContact CD1-OE2 3.44Å; I201-A334 HydrophobicContact CG1-CB 4.22Å; I201-A334 HydrophobicContact CG2-CB 4.2Å; I201-A337 HydrophobicContact CD1-CB 3.34Å; I201-A337 HydrophobicContact CG1-CB 4.43Å; I201-M338 HydrophobicContact CG2-CE 4.08Å
202P95.9Very high91Very high0 Ų026.3 Ų26.30%017%0.172CC..SBendtrans-56.8136.2169.5-23.234.5000110.7G173 A174 I248 V252G173-P202 WeakPolarHBondContact CA-O 3.37Å; A174-P202 PolarHBondContact N-O 3.04Å; P202-I248 HydrophobicContact CB-CG1 3.72Å; P202-I248 HydrophobicContact CG-CG1 4.42Å; P202-V252 HydrophobicContact CB-CG2 4.09Å; P202-V252 HydrophobicContact CG-CG2 3.73Å
203G95Very high91.2Very high25 Ų2529.8 Ų29.826%0.25819%0.186SC..EExtended strand (participates in β ladder)trans175.3178.4-175.500000113.3V172 I201V172-G203 CarbonylContact O-C 3.59Å; V172-G203 WeakPolarHBondContact O-CA 3.28Å; I201-G203 PolarHBondContact O-N 2.88Å
204G93.3Very high91.7Very high20 Ų2031.8 Ų31.821%0.20618%0.177CC..EExtended strand (participates in β ladder)trans177.2-142.3-176.500000111.7G171 V172 E247G171-G204 WeakPolarHBondContact CA-O 3.47Å; V172-G204 PolarHBondContact N-O 2.79Å; V172-G204 PolarHBondContact O-N 2.82Å; G204-E247 WeakPolarHBondContact CA-OE1 3.42Å
205H90.1Very high91.8Very high56 Ų5632.7 Ų32.726%0.25918%0.183SC..  trans-137.8117.3-176.4-61.792.8000112.5K62 E207 E247 R276K62-H205 HydrophobicContact CD-CB 3.81Å; H205-E207 WeakPolarHBondContact O-CG 3.41Å; H205-E207 PolarHBondContact O-N 2.95Å; H205-E247 PolarHBondContact N-OE1 3.36Å; H205-R276 PolarHBondContact NE2-NH1 2.95Å; H205-R276 VanDerWaalsContact NE2-NH1 3.12Å
206P92.7Very high91.6Very high1 Ų134.5 Ų34.51%0.00620%0.204CC..  trans-58.6138.4176.223.4-32.5000111F63 L170 V172 E239 L240F63-P206 HydrophobicContact CD2-CB 4.11Å; F63-P206 HydrophobicContact CD2-CG 4.18Å; F63-P206 HydrophobicContact CE2-CB 4.32Å; L170-P206 WeakPolarHBondContact O-CD 3.3Å; V172-P206 HydrophobicContact CG1-CG 3.96Å; P206-E239 HydrophobicContact CB-CG 3.9Å; P206-L240 HydrophobicContact CB-CD2 3.88Å; P206-L240 HydrophobicContact CG-CD2 3.54Å
207E91.4Very high90.8Very high67 Ų6738.2 Ų38.231%0.31321%0.214SC..  trans-110.2122.5-171.6-58-155.4147.900111.4K62 H205 K209 A210 E239K62-E207 IonicContact NZ-OE1 2.71Å; K62-E207 PolarHBondContact NZ-OE1 3.35Å; H205-E207 WeakPolarHBondContact O-CG 3.41Å; H205-E207 PolarHBondContact O-N 2.95Å; E207-K209 PolarHBondContact O-N 2.94Å; E207-K209 VanDerWaalsContact O-N 3.11Å; E207-A210 HydrophobicContact CB-CB 4.45Å; E207-A210 WeakPolarHBondContact O-CB 3.28Å; E207-A210 PolarHBondContact O-N 3.44Å; E207-E239 PolarHBondContact N-OE1 3.06Å
208P93.6Very high89.3Confident0 Ų042 Ų420%025%0.245CC..Hα-helixtrans-53.4-31.2171.3-27.235.1000113.2A61 F63 L133 A210 V211 C212 I224 M229A61-P208 HydrophobicContact CB-CB 4.44Å; A61-P208 HydrophobicContact CB-CG 4.23Å; A61-P208 VanDerWaalsContact O-CD 3.31Å; A61-P208 WeakPolarHBondContact O-CD 3.48Å; F63-P208 HydrophobicContact CD1-CG 4.09Å; F63-P208 HydrophobicContact CD2-CG 4.05Å; F63-P208 HydrophobicContact CE1-CB 4.22Å; F63-P208 HydrophobicContact CE1-CG 3.92Å; F63-P208 HydrophobicContact CE2-CB 4.39Å; F63-P208 HydrophobicContact CE2-CG 3.88Å; F63-P208 HydrophobicContact CG-CG 4.15Å; F63-P208 HydrophobicContact CZ-CB 3.98Å; F63-P208 HydrophobicContact CZ-CG 3.81Å; L133-P208 HydrophobicContact CD2-CB 3.91Å; L133-P208 HydrophobicContact CD2-CG 3.48Å; L133-P208 VanDerWaalsContact CD2-CG 3.48Å; P208-A210 PolarHBondContact O-N 3.23Å; P208-V211 WeakPolarHBondContact O-CB 3.33Å; P208-V211 PolarHBondContact O-N 3.01Å; P208-V211 VanDerWaalsContact O-N 3.16Å; P208-C212 PolarHBondContact O-N 3.35Å; P208-C212 VanDerWaalsContact O-N 3.13Å; P208-I224 HydrophobicContact CB-CG2 3.65Å; P208-M229 HydrophobicContact CB-CE 4.05Å; P208-M229 HydrophobicContact CB-SD 4.11Å
209K90.9Very high87.7Confident64 Ų6439.8 Ų39.828%0.27823%0.234SC..Hα-helixtrans-59.3-44176.2-170.3-178.9175.9-1680112.5E207 V211 C212 E213 E221 I224E207-K209 PolarHBondContact O-N 2.94Å; E207-K209 VanDerWaalsContact O-N 3.11Å; K209-V211 PolarHBondContact O-N 2.94Å; K209-C212 WeakPolarHBondContact O-CB 3.48Å; K209-C212 PolarHBondContact O-N 3.35Å; K209-E213 WeakPolarHBondContact CE-OE1 3.46Å; K209-E213 HydrophobicContact CG-CG 4.41Å; K209-E213 IonicContact NZ-OE1 3.49Å; K209-E213 WeakPolarHBondContact O-CG 3.45Å; K209-E213 PolarHBondContact O-N 3.5Å; K209-E221 WeakPolarHBondContact CD-OE1 3.3Å; K209-I224 HydrophobicContact CB-CD1 3.69Å; K209-I224 HydrophobicContact CG-CD1 4.21Å
210A91Very high86.6Confident26 Ų2641.6 Ų41.622%0.21525%0.253CS..Hα-helixtrans-63.6-27.6178.300000112.3E207 P208 R214 E239E207-A210 HydrophobicContact CB-CB 4.45Å; E207-A210 WeakPolarHBondContact O-CB 3.28Å; E207-A210 PolarHBondContact O-N 3.44Å; P208-A210 PolarHBondContact O-N 3.23Å; A210-R214 WeakPolarHBondContact O-CB 3.28Å; A210-R214 VanDerWaalsContact O-CG 3.31Å; A210-R214 WeakPolarHBondContact O-CG 3.07Å; A210-R214 PolarHBondContact O-N 2.99Å; A210-R214 PolarHBondContact O-NE 2.8Å; A210-E239 WeakPolarHBondContact CB-OE2 3.29Å
211V91.3Very high85.7Confident0 Ų043.6 Ų43.60%026%0.262CS..Hα-helixtrans-69-50.1170.2-177.60000110.6F63 P208 K209 E213 R214 L215 M229 A235 V236 E239F63-V211 HydrophobicContact CZ-CG2 4.05Å; P208-V211 WeakPolarHBondContact O-CB 3.33Å; P208-V211 PolarHBondContact O-N 3.01Å; P208-V211 VanDerWaalsContact O-N 3.16Å; K209-V211 PolarHBondContact O-N 2.94Å; V211-E213 PolarHBondContact O-N 3.45Å; V211-R214 PolarHBondContact O-N 3.29Å; V211-L215 HydrophobicContact CG1-CD1 4.08Å; V211-L215 VanDerWaalsContact O-CG 3.32Å; V211-L215 WeakPolarHBondContact O-CG 3.35Å; V211-L215 PolarHBondContact O-N 2.99Å; V211-L215 VanDerWaalsContact O-N 3.12Å; V211-M229 HydrophobicContact CB-CG 4.38Å; V211-M229 HydrophobicContact CB-SD 4.23Å; V211-M229 HydrophobicContact CG1-CG 3.85Å; V211-M229 HydrophobicContact CG1-SD 4.26Å; V211-A235 HydrophobicContact CG1-CB 3.89Å; V211-V236 HydrophobicContact CG1-CG2 4.06Å; V211-V236 HydrophobicContact CG2-CG2 4.25Å; V211-E239 HydrophobicContact CG2-CB 3.56Å; V211-E239 HydrophobicContact CG2-CG 3.84Å
212C88.3Confident84.7Confident1 Ų153 Ų531%0.00731%0.306CS..Hα-helixtrans-57.9-46.2179.1-68.70000112.2P208 K209 R214 L215 G216 E217 A219P208-C212 PolarHBondContact O-N 3.35Å; P208-C212 VanDerWaalsContact O-N 3.13Å; K209-C212 WeakPolarHBondContact O-CB 3.48Å; K209-C212 PolarHBondContact O-N 3.35Å; C212-R214 PolarHBondContact O-N 2.79Å; C212-L215 PolarHBondContact O-N 3.15Å; C212-L215 VanDerWaalsContact O-N 3.09Å; C212-G216 PolarHBondContact O-N 3.12Å; C212-E217 CarbonylContact C-O 3.5Å; C212-E217 PolarHBondContact O-N 3.28Å; C212-E217 VanDerWaalsContact O-N 3.15Å; C212-A219 HydrophobicContact CB-CB 3.93Å
213E87.4Confident83.8Confident107 Ų10758.8 Ų58.850%0.533%0.333SS..Hα-helixtrans-62.3-41.9179.2-71.1178.2168.300112K209 V211 L215 G216K209-E213 WeakPolarHBondContact CE-OE1 3.46Å; K209-E213 HydrophobicContact CG-CG 4.41Å; K209-E213 IonicContact NZ-OE1 3.49Å; K209-E213 WeakPolarHBondContact O-CG 3.45Å; K209-E213 PolarHBondContact O-N 3.5Å; V211-E213 PolarHBondContact O-N 3.45Å; E213-L215 PolarHBondContact O-N 2.82Å; E213-G216 PolarHBondContact O-N 2.79Å
214R86.2Confident83.2Confident121 Ų12158.5 Ų58.546%0.45733%0.325SS..Hα-helixtrans-65.8-24.6175.4-77.3-172.4-67169.62.6113.4A210 V211 C212 G216 A235 E239 S242A210-R214 WeakPolarHBondContact O-CB 3.28Å; A210-R214 VanDerWaalsContact O-CG 3.31Å; A210-R214 WeakPolarHBondContact O-CG 3.07Å; A210-R214 PolarHBondContact O-N 2.99Å; A210-R214 PolarHBondContact O-NE 2.8Å; V211-R214 PolarHBondContact O-N 3.29Å; C212-R214 PolarHBondContact O-N 2.79Å; R214-G216 PolarHBondContact O-N 2.85Å; R214-A235 PolarHBondContact NH2-O 3.16Å; R214-E239 IonicContact CZ-OE2 3.41Å; R214-E239 IonicContact NE-OE2 3.89Å; R214-E239 IonicContact NH2-OE2 2.67Å; R214-E239 PolarHBondContact NH2-OE2 3Å; R214-S242 PolarHBondContact NH1-OG 3.17Å
215L85.7Confident82.6Confident54 Ų5459.6 Ų59.628%0.28333%0.33SS..THydrogen-bonded Turntrans-82.51.3173.3-64.2176.1000112.8V211 C212 E213 R232 A235V211-L215 HydrophobicContact CG1-CD1 4.08Å; V211-L215 VanDerWaalsContact O-CG 3.32Å; V211-L215 WeakPolarHBondContact O-CG 3.35Å; V211-L215 PolarHBondContact O-N 2.99Å; V211-L215 VanDerWaalsContact O-N 3.12Å; C212-L215 PolarHBondContact O-N 3.15Å; C212-L215 VanDerWaalsContact O-N 3.09Å; E213-L215 PolarHBondContact O-N 2.82Å; L215-R232 HydrophobicContact CD1-CB 4.12Å; L215-R232 HydrophobicContact CD1-CG 4.41Å; L215-R232 HydrophobicContact CD2-CB 4.03Å; L215-R232 HydrophobicContact CD2-CG 3.86Å; L215-A235 HydrophobicContact CD2-CB 4.28Å
216G81.1Confident82.3Confident67 Ų6757 Ų5769%0.69132%0.318SS*.THydrogen-bonded Turntrans8712.2176.400000114.4C212 E213 R214C212-G216 PolarHBondContact O-N 3.12Å; E213-G216 PolarHBondContact O-N 2.79Å; R214-G216 PolarHBondContact O-N 2.85Å
217E73.6Confident81.9Confident105 Ų10561 Ų6149%0.49134%0.342SS..  trans-101121.1-180-64.4-66.8163.500109.9C212 A219C212-E217 CarbonylContact C-O 3.5Å; C212-E217 PolarHBondContact O-N 3.28Å; C212-E217 VanDerWaalsContact O-N 3.15Å; E217-A219 VanDerWaalsContact C-N 3.25Å; E217-A219 PolarHBondContact O-N 2.84Å
218A61.3Low81.2Confident95 Ų9561.1 Ų61.179%0.78534%0.343SS*.  trans-78.277.5172.500000109.5Q223A218-Q223 PolarHBondContact O-OE1 2.84Å
219A63.4Low80.8Confident9 Ų961.1 Ų61.17%0.07434%0.343CS..  trans-87.3118.1-178.900000111.1C212 E217 Q223 I224C212-A219 HydrophobicContact CB-CB 3.93Å; E217-A219 VanDerWaalsContact C-N 3.25Å; E217-A219 PolarHBondContact O-N 2.84Å; A219-Q223 HydrophobicContact CB-CB 4.23Å; A219-I224 HydrophobicContact CB-CG1 4.31Å
220G72.6Confident80.7Confident39 Ų3962.1 Ų62.140%0.40235%0.349SS..  trans-64.6159.2156.100000110.2E222 Q223G220-E222 PolarHBondContact O-N 3.33Å; G220-Q223 WeakPolarHBondContact O-CB 3.3Å; G220-Q223 PolarHBondContact O-N 3.38Å
221E79.2Confident80.4Confident55 Ų5568 Ų6826%0.25737%0.372SS..G310 helixtrans-50.8-34.8-178.7-67.6-67.8158.400113.3A61 K209 Q223 I224A61-E221 WeakPolarHBondContact CB-OE2 3.41Å; A61-E221 PolarHBondContact N-OE2 2.81Å; K209-E221 WeakPolarHBondContact CD-OE1 3.3Å; E221-Q223 VanDerWaalsContact C-N 3.28Å; E221-Q223 PolarHBondContact O-N 3.02Å; E221-I224 WeakPolarHBondContact OE2-CD1 3.47Å
222E74.8Confident80.3Confident200 Ų20073.4 Ų73.494%0.93539%0.392SS*.G310 helixtrans-72.8-15.9179.8-58.1-175.3172.700114.3G220G220-E222 PolarHBondContact O-N 3.33Å
223Q76.6Confident80.4Confident122 Ų12275.1 Ų75.157%0.5740%0.404SS*.G310 helixtrans-98.3-7.2-177.5-63176.8-6.100112.7A218 A219 G220 E221 S225A218-Q223 PolarHBondContact O-OE1 2.84Å; A219-Q223 HydrophobicContact CB-CB 4.23Å; G220-Q223 WeakPolarHBondContact O-CB 3.3Å; G220-Q223 PolarHBondContact O-N 3.38Å; E221-Q223 VanDerWaalsContact C-N 3.28Å; E221-Q223 PolarHBondContact O-N 3.02Å; Q223-S225 PolarHBondContact O-N 2.76Å
224I82.3Confident80.7Confident20 Ų2072.1 Ų72.110%0.10339%0.391CS..  trans-67.2117.7178.8-63174.3000108.7A61 L133 P208 K209 A219 E221 M229A61-I224 HydrophobicContact CB-CB 4.49Å; A61-I224 HydrophobicContact CB-CD1 3.64Å; A61-I224 HydrophobicContact CB-CG2 4.18Å; L133-I224 HydrophobicContact CD1-CG2 4.11Å; P208-I224 HydrophobicContact CB-CG2 3.65Å; K209-I224 HydrophobicContact CB-CD1 3.69Å; K209-I224 HydrophobicContact CG-CD1 4.21Å; A219-I224 HydrophobicContact CB-CG1 4.31Å; E221-I224 WeakPolarHBondContact OE2-CD1 3.47Å; I224-M229 HydrophobicContact CG2-CE 4.36Å
225S80.9Confident81.1Confident43 Ų4366.8 Ų66.830%0.30137%0.373SS..  trans-136.4150.7178.771.60000111.9Q223 V227Q223-S225 PolarHBondContact O-N 2.76Å; S225-V227 PolarHBondContact O-N 2.94Å
226L84.9Confident81.6Confident2 Ų264.2 Ų64.21%0.0136%0.36CS..Hα-helixtrans-65.1-28178.7-78.2171000113L27 S28 D29 L133 M228 M229 Q230L27-L226 HydrophobicContact CB-CD2 3.98Å; L27-L226 HydrophobicContact CD2-CD2 3.67Å; L27-L226 HydrophobicContact CG-CD2 4.3Å; S28-L226 VanDerWaalsContact C-CD1 3.44Å; D29-L226 WeakPolarHBondContact OD1-CD1 3.23Å; L133-L226 HydrophobicContact CD1-CD2 4.18Å; L133-L226 HydrophobicContact CD1-CG 3.77Å; L133-L226 HydrophobicContact CD2-CD2 4.35Å; L133-L226 HydrophobicContact CG-CD1 4.26Å; L133-L226 HydrophobicContact CG-CD2 3.8Å; L133-L226 HydrophobicContact CG-CG 3.74Å; L226-M228 PolarHBondContact O-N 2.86Å; L226-M229 HydrophobicContact CD2-CE 4.06Å; L226-M229 PolarHBondContact O-N 2.79Å; L226-M229 VanDerWaalsContact O-N 3.13Å; L226-Q230 WeakPolarHBondContact O-CB 3.47Å; L226-Q230 VanDerWaalsContact O-CG 3.26Å; L226-Q230 WeakPolarHBondContact O-CG 3.33Å; L226-Q230 PolarHBondContact O-N 2.87Å
227V83Confident82.4Confident83 Ų8361.4 Ų61.450%0.50333%0.329SS..Hα-helixtrans-55.7-40.8-177.1178.50000111.8S225S225-V227 PolarHBondContact O-N 2.94Å
228M76.5Confident83.5Confident70 Ų7058 Ų5835%0.34532%0.317SS..Hα-helixtrans-68-48.2178.7-67.9175171.500111.2L226 Q230 Q231L226-M228 PolarHBondContact O-N 2.86Å; M228-Q230 VanDerWaalsContact C-N 3.31Å; M228-Q230 PolarHBondContact O-N 2.78Å; M228-Q231 PolarHBondContact O-N 3.25Å
229M86.4Confident85.2Confident0 Ų054.1 Ų54.10%028%0.282CS..Hα-helixtrans-70.5-27.1-177.3-65.7-178.5-83.100112.9L27 F63 L133 P208 V211 I224 L226 Q231 R232 V236L27-M229 HydrophobicContact CD1-CB 3.67Å; F63-M229 HydrophobicContact CE1-CE 4.44Å; F63-M229 HydrophobicContact CE1-SD 3.75Å; F63-M229 HydrophobicContact CZ-SD 3.96Å; L133-M229 HydrophobicContact CD1-CE 3.99Å; L133-M229 HydrophobicContact CD2-CE 3.98Å; L133-M229 HydrophobicContact CG-CE 4.38Å; P208-M229 HydrophobicContact CB-CE 4.05Å; P208-M229 HydrophobicContact CB-SD 4.11Å; V211-M229 HydrophobicContact CB-CG 4.38Å; V211-M229 HydrophobicContact CB-SD 4.23Å; V211-M229 HydrophobicContact CG1-CG 3.85Å; V211-M229 HydrophobicContact CG1-SD 4.26Å; I224-M229 HydrophobicContact CG2-CE 4.36Å; L226-M229 HydrophobicContact CD2-CE 4.06Å; L226-M229 PolarHBondContact O-N 2.79Å; L226-M229 VanDerWaalsContact O-N 3.13Å; M229-Q231 PolarHBondContact O-N 3.05Å; M229-R232 CarbonylContact O-C 3.59Å; M229-R232 PolarHBondContact O-N 2.86Å; M229-V236 HydrophobicContact CB-CG2 3.81Å; M229-V236 HydrophobicContact CG-CG2 4.09Å; M229-V236 HydrophobicContact SD-CG2 3.96Å
230Q87.4Confident86.8Confident86 Ų8653.9 Ų53.940%0.40228%0.28SS..Hα-helixtrans-60.3-26.9173.5-80.6173.4-21.600113.2L27 L226 M228 R232L27-Q230 HydrophobicContact CB-CG 3.8Å; L27-Q230 PolarHBondContact O-NE2 3.12Å; L226-Q230 WeakPolarHBondContact O-CB 3.47Å; L226-Q230 VanDerWaalsContact O-CG 3.26Å; L226-Q230 WeakPolarHBondContact O-CG 3.33Å; L226-Q230 PolarHBondContact O-N 2.87Å; M228-Q230 VanDerWaalsContact C-N 3.31Å; M228-Q230 PolarHBondContact O-N 2.78Å; Q230-R232 VanDerWaalsContact C-N 3.33Å
231Q85.5Confident88Confident150 Ų15052.3 Ų52.370%0.70126%0.262SS*.Hα-helixtrans-77.3-23.4176.4-59.8-179.511.100112.2M228 M229M228-Q231 PolarHBondContact O-N 3.25Å; M229-Q231 PolarHBondContact O-N 3.05Å
232R88.6Confident88.8Confident112 Ų11252 Ų5242%0.42327%0.266SS..  trans-134.761.5-177-66.1-61.6-57.1-78.9-2.9111.3L215 M229 Q230 D234 A235L215-R232 HydrophobicContact CD1-CB 4.12Å; L215-R232 HydrophobicContact CD1-CG 4.41Å; L215-R232 HydrophobicContact CD2-CB 4.03Å; L215-R232 HydrophobicContact CD2-CG 3.86Å; M229-R232 CarbonylContact O-C 3.59Å; M229-R232 PolarHBondContact O-N 2.86Å; Q230-R232 VanDerWaalsContact C-N 3.33Å; R232-D234 WeakPolarHBondContact CA-OD1 3.49Å; R232-D234 IonicContact CZ-OD2 3.43Å; R232-D234 IonicContact NE-OD1 3.21Å; R232-D234 PolarHBondContact NE-OD1 3.3Å; R232-D234 IonicContact NE-OD2 3.21Å; R232-D234 PolarHBondContact NE-OD2 3.14Å; R232-D234 IonicContact NH2-OD2 2.76Å; R232-D234 PolarHBondContact NH2-OD2 2.94Å; R232-D234 PolarHBondContact O-N 2.73Å; R232-D234 VanDerWaalsContact O-N 3.16Å; R232-A235 HydrophobicContact CB-CB 4.12Å; R232-A235 WeakPolarHBondContact O-CB 3.47Å; R232-A235 PolarHBondContact O-N 2.9Å
233P91.9Very high89.9Confident38 Ų3842.8 Ų42.825%0.24722%0.224CC..Hα-helixtrans-62.3-23.9179.226.8-34.9000112.1V25 A235 V236 V237V25-P233 HydrophobicContact CG2-CB 3.66Å; V25-P233 WeakPolarHBondContact CG2-O 3.47Å; P233-A235 VanDerWaalsContact C-N 3.32Å; P233-A235 PolarHBondContact O-N 3.37Å; P233-V236 PolarHBondContact O-N 3.11Å; P233-V237 PolarHBondContact O-N 3.24Å; P233-V237 VanDerWaalsContact O-N 3.11Å
234D93.2Very high90.9Very high43 Ų4337 Ų3723%0.2320%0.197CC..Hα-helixtrans-59.2-39.7170.355.2-66.6000112.4R232 V236 V237 S238R232-D234 WeakPolarHBondContact CA-OD1 3.49Å; R232-D234 IonicContact CZ-OD2 3.43Å; R232-D234 IonicContact NE-OD1 3.21Å; R232-D234 PolarHBondContact NE-OD1 3.3Å; R232-D234 IonicContact NE-OD2 3.21Å; R232-D234 PolarHBondContact NE-OD2 3.14Å; R232-D234 IonicContact NH2-OD2 2.76Å; R232-D234 PolarHBondContact NH2-OD2 2.94Å; R232-D234 PolarHBondContact O-N 2.73Å; R232-D234 VanDerWaalsContact O-N 3.16Å; D234-V236 VanDerWaalsContact C-N 3.28Å; D234-V236 PolarHBondContact O-N 3.12Å; D234-V237 PolarHBondContact O-N 2.9Å; D234-S238 PolarHBondContact O-N 3.37Å; D234-S238 PolarHBondContact O-OG 3.03Å; D234-S238 VanDerWaalsContact O-OG 3.11Å
235A94.4Very high91.6Very high10 Ų1037 Ų378%0.08320%0.198CC..Hα-helixtrans-67.3-30.6179.300000112.3V211 R214 L215 R232 P233 E239V211-A235 HydrophobicContact CG1-CB 3.89Å; R214-A235 PolarHBondContact NH2-O 3.16Å; L215-A235 HydrophobicContact CD2-CB 4.28Å; R232-A235 HydrophobicContact CB-CB 4.12Å; R232-A235 WeakPolarHBondContact O-CB 3.47Å; R232-A235 PolarHBondContact O-N 2.9Å; P233-A235 VanDerWaalsContact C-N 3.32Å; P233-A235 PolarHBondContact O-N 3.37Å; A235-E239 PolarHBondContact O-N 2.82Å
236V96.1Very high92.4Very high0 Ų036.2 Ų36.20%019%0.194CC..Hα-helixtrans-71.2-43.4173.1177.90000111V25 L27 F63 L131 V211 M229 P233 D234 S238 E239 L240V25-V236 HydrophobicContact CG1-CG1 4.18Å; V25-V236 HydrophobicContact CG2-CB 3.96Å; V25-V236 HydrophobicContact CG2-CG1 4.07Å; L27-V236 HydrophobicContact CD1-CB 4.45Å; L27-V236 HydrophobicContact CD1-CG2 3.76Å; F63-V236 HydrophobicContact CD1-CG1 4.35Å; F63-V236 HydrophobicContact CE1-CG1 3.69Å; F63-V236 HydrophobicContact CE1-CG2 4.31Å; F63-V236 HydrophobicContact CE2-CG1 4.45Å; F63-V236 HydrophobicContact CZ-CG1 3.75Å; F63-V236 HydrophobicContact CZ-CG2 4.31Å; L131-V236 HydrophobicContact CD1-CG1 4.12Å; V211-V236 HydrophobicContact CG1-CG2 4.06Å; V211-V236 HydrophobicContact CG2-CG2 4.25Å; M229-V236 HydrophobicContact CB-CG2 3.81Å; M229-V236 HydrophobicContact CG-CG2 4.09Å; M229-V236 HydrophobicContact SD-CG2 3.96Å; P233-V236 PolarHBondContact O-N 3.11Å; D234-V236 VanDerWaalsContact C-N 3.28Å; D234-V236 PolarHBondContact O-N 3.12Å; V236-S238 VanDerWaalsContact C-N 3.3Å; V236-S238 PolarHBondContact O-N 3.15Å; V236-E239 VanDerWaalsContact O-CB 3.32Å; V236-E239 WeakPolarHBondContact O-CB 3.33Å; V236-E239 PolarHBondContact O-N 3.35Å; V236-E239 VanDerWaalsContact O-N 3.14Å; V236-L240 WeakPolarHBondContact O-CG 3.21Å; V236-L240 PolarHBondContact O-N 2.98Å; V236-L240 VanDerWaalsContact O-N 3.07Å
237V96.9Very high92.9Very high8 Ų837.6 Ų37.65%0.04820%0.2CC..Hα-helixtrans-59.1-46.3172.9178.50000110.1E20 V23 V25 P233 D234 E239 L240 F241E20-V237 HydrophobicContact CG-CG1 3.73Å; V23-V237 HydrophobicContact CB-CG1 4.22Å; V23-V237 HydrophobicContact CG1-CG1 4.46Å; V25-V237 HydrophobicContact CB-CG2 4.47Å; V25-V237 HydrophobicContact CG1-CG2 3.8Å; V25-V237 HydrophobicContact CG2-CG2 4.22Å; P233-V237 PolarHBondContact O-N 3.24Å; P233-V237 VanDerWaalsContact O-N 3.11Å; D234-V237 PolarHBondContact O-N 2.9Å; V237-E239 VanDerWaalsContact C-N 3.27Å; V237-E239 PolarHBondContact O-N 3.33Å; V237-L240 PolarHBondContact O-N 2.86Å; V237-L240 VanDerWaalsContact O-N 3.15Å; V237-F241 HydrophobicContact CG1-CD2 4.14Å; V237-F241 HydrophobicContact CG1-CE2 4.17Å; V237-F241 WeakPolarHBondContact O-CD2 3.15Å; V237-F241 PolarHBondContact O-N 3.33Å
238S96.6Very high93.6Very high34 Ų3433.6 Ų33.624%0.23818%0.177CC..Hα-helixtrans-60.8-35176.2-60.20000112.2E20 D234 V236 F241 S242E20-S238 WeakPolarHBondContact OE1-CA 3.37Å; E20-S238 WeakPolarHBondContact OE1-CB 3.44Å; E20-S238 PolarHBondContact OE1-OG 2.93Å; D234-S238 PolarHBondContact O-N 3.37Å; D234-S238 PolarHBondContact O-OG 3.03Å; D234-S238 VanDerWaalsContact O-OG 3.11Å; V236-S238 VanDerWaalsContact C-N 3.3Å; V236-S238 PolarHBondContact O-N 3.15Å; S238-F241 PolarHBondContact O-N 3.35Å; S238-S242 WeakPolarHBondContact O-CB 3.16Å; S238-S242 PolarHBondContact O-N 2.9Å; S238-S242 PolarHBondContact O-OG 3.46Å
239E97.3Very high94.5Very high13 Ų1334.9 Ų34.96%0.06118%0.177CC..Hα-helixtrans-59.2-51.1170.9-177.655.5-157.600112.4F63 P206 E207 A210 V211 R214 A235 V236 V237 F241 S242 S243F63-E239 HydrophobicContact CE2-CG 4.1Å; P206-E239 HydrophobicContact CB-CG 3.9Å; E207-E239 PolarHBondContact N-OE1 3.06Å; A210-E239 WeakPolarHBondContact CB-OE2 3.29Å; V211-E239 HydrophobicContact CG2-CB 3.56Å; V211-E239 HydrophobicContact CG2-CG 3.84Å; R214-E239 IonicContact CZ-OE2 3.41Å; R214-E239 IonicContact NE-OE2 3.89Å; R214-E239 IonicContact NH2-OE2 2.67Å; R214-E239 PolarHBondContact NH2-OE2 3Å; A235-E239 PolarHBondContact O-N 2.82Å; V236-E239 VanDerWaalsContact O-CB 3.32Å; V236-E239 WeakPolarHBondContact O-CB 3.33Å; V236-E239 PolarHBondContact O-N 3.35Å; V236-E239 VanDerWaalsContact O-N 3.14Å; V237-E239 VanDerWaalsContact C-N 3.27Å; V237-E239 PolarHBondContact O-N 3.33Å; E239-F241 PolarHBondContact O-N 2.96Å; E239-S242 PolarHBondContact O-N 3.27Å; E239-S243 WeakPolarHBondContact O-CB 3.46Å; E239-S243 PolarHBondContact O-N 2.96Å; E239-S243 PolarHBondContact O-OG 3.43Å
240L97.3Very high94.9Very high3 Ų336.5 Ų36.52%0.01619%0.186CC..Hα-helixtrans-58-35.2-178-61.7177.5000112.3V25 F63 L129 L131 L170 P206 V236 V237V25-L240 HydrophobicContact CG1-CD1 4.27Å; F63-L240 HydrophobicContact CD2-CD2 4.38Å; L129-L240 HydrophobicContact CD1-CD1 3.95Å; L131-L240 HydrophobicContact CD1-CD1 4.21Å; L170-L240 HydrophobicContact CD2-CD2 4.05Å; P206-L240 HydrophobicContact CB-CD2 3.88Å; P206-L240 HydrophobicContact CG-CD2 3.54Å; V236-L240 WeakPolarHBondContact O-CG 3.21Å; V236-L240 PolarHBondContact O-N 2.98Å; V236-L240 VanDerWaalsContact O-N 3.07Å; V237-L240 PolarHBondContact O-N 2.86Å; V237-L240 VanDerWaalsContact O-N 3.15Å
241F98Very high95.1Very high6 Ų632.8 Ų32.83%0.02617%0.169CC..Hα-helixtrans-85.8-35.4178.5-80.1-108.1000112.7E20 V23 V237 S238 E239 I244 P262 L264 F281E20-F241 HydrophobicContact CB-CD1 3.87Å; E20-F241 HydrophobicContact CB-CD2 4.29Å; E20-F241 HydrophobicContact CB-CE1 4.03Å; E20-F241 HydrophobicContact CB-CE2 4.42Å; E20-F241 HydrophobicContact CB-CG 4.02Å; E20-F241 HydrophobicContact CB-CZ 4.31Å; E20-F241 HydrophobicContact CG-CB 4.29Å; E20-F241 HydrophobicContact CG-CD1 4.32Å; E20-F241 HydrophobicContact CG-CD2 4Å; E20-F241 HydrophobicContact CG-CE2 4.42Å; E20-F241 HydrophobicContact CG-CG 3.95Å; E20-F241 VanDerWaalsContact N-CE1 3.34Å; V23-F241 HydrophobicContact CB-CE2 4.21Å; V23-F241 HydrophobicContact CG2-CE2 4.09Å; V23-F241 HydrophobicContact CG2-CZ 3.94Å; V237-F241 HydrophobicContact CG1-CD2 4.14Å; V237-F241 HydrophobicContact CG1-CE2 4.17Å; V237-F241 WeakPolarHBondContact O-CD2 3.15Å; V237-F241 PolarHBondContact O-N 3.33Å; S238-F241 PolarHBondContact O-N 3.35Å; E239-F241 PolarHBondContact O-N 2.96Å; F241-I244 VanDerWaalsContact O-CG2 3.25Å; F241-I244 WeakPolarHBondContact O-CG2 3.41Å; F241-P262 HydrophobicContact CD1-CB 3.98Å; F241-P262 WeakPolarHBondContact CE1-O 3.31Å; F241-L264 HydrophobicContact CZ-CB 4.02Å; F241-F281 HydrophobicContact CD1-CD1 4.37Å; F241-F281 AromaticContact CD1-CE1 3.81Å; F241-F281 HydrophobicContact CD1-CE1 3.81Å; F241-F281 HydrophobicContact CD2-CE1 4.07Å; F241-F281 HydrophobicContact CD2-CZ 4.4Å; F241-F281 HydrophobicContact CE1-CD1 4.26Å; F241-F281 AromaticContact CE1-CE1 3.71Å; F241-F281 HydrophobicContact CE1-CE1 3.71Å; F241-F281 AromaticContact CE2-CE1 3.99Å; F241-F281 HydrophobicContact CE2-CE1 3.99Å; F241-F281 HydrophobicContact CE2-CZ 4.46Å; F241-F281 AromaticContact CG-CE1 3.99Å; F241-F281 HydrophobicContact CG-CE1 3.99Å; F241-F281 AromaticContact CZ-CE1 3.81Å; F241-F281 HydrophobicContact CZ-CE1 3.81Å
242S97Very high95.6Very high49 Ų4925.7 Ų25.734%0.34314%0.135SC..Hα-helixtrans-80.5-31.3-178.666.90000113.1R214 S238 E239 I244 C245 A246R214-S242 PolarHBondContact NH1-OG 3.17Å; S238-S242 WeakPolarHBondContact O-CB 3.16Å; S238-S242 PolarHBondContact O-N 2.9Å; S238-S242 PolarHBondContact O-OG 3.46Å; E239-S242 PolarHBondContact O-N 3.27Å; S242-I244 VanDerWaalsContact C-N 3.34Å; S242-I244 PolarHBondContact O-N 3.3Å; S242-C245 PolarHBondContact O-N 2.81Å; S242-A246 PolarHBondContact O-N 2.81Å
243S97.4Very high96Very high7 Ų722.5 Ų22.55%0.04913%0.127CC..Hα-helixtrans-60.9-45.4-177.870.40000110.2E239 C245 A246 E247E239-S243 WeakPolarHBondContact O-CB 3.46Å; E239-S243 PolarHBondContact O-N 2.96Å; E239-S243 PolarHBondContact O-OG 3.43Å; S243-C245 VanDerWaalsContact C-N 3.27Å; S243-C245 PolarHBondContact O-N 3.18Å; S243-A246 CarbonylContact O-C 3.59Å; S243-A246 WeakPolarHBondContact O-CA 3.15Å; S243-A246 VanDerWaalsContact O-CB 3.3Å; S243-A246 WeakPolarHBondContact O-CB 3.33Å; S243-A246 PolarHBondContact O-N 2.91Å; S243-E247 WeakPolarHBondContact O-CG 3.5Å; S243-E247 PolarHBondContact O-N 2.98Å
244I97.6Very high96.2Very high0 Ų020.7 Ų20.70%012%0.115CC..Hα-helixtrans-61.9-33.6179.7-174.256.9000113.2V172 A174 F241 S242 E247 I248 P262 F281 I283V172-I244 HydrophobicContact CB-CB 4.26Å; V172-I244 HydrophobicContact CB-CD1 4.48Å; V172-I244 HydrophobicContact CG2-CB 4.05Å; V172-I244 HydrophobicContact CG2-CD1 4.17Å; A174-I244 HydrophobicContact CB-CD1 3.71Å; A174-I244 HydrophobicContact CB-CG1 3.58Å; F241-I244 VanDerWaalsContact O-CG2 3.25Å; F241-I244 WeakPolarHBondContact O-CG2 3.41Å; S242-I244 VanDerWaalsContact C-N 3.34Å; S242-I244 PolarHBondContact O-N 3.3Å; I244-E247 HydrophobicContact CD1-CB 4.5Å; I244-I248 WeakPolarHBondContact O-CG1 3.18Å; I244-I248 PolarHBondContact O-N 3.46Å; I244-I248 VanDerWaalsContact O-N 3.13Å; I244-P262 HydrophobicContact CG2-CB 4.37Å; I244-P262 HydrophobicContact CG2-CG 4.25Å; I244-F281 HydrophobicContact CB-CD2 4.41Å; I244-F281 HydrophobicContact CG1-CD2 4.43Å; I244-F281 HydrophobicContact CG2-CD2 4.08Å; I244-F281 HydrophobicContact CG2-CE2 4.4Å; I244-F281 HydrophobicContact CG2-CG 4.21Å; I244-I283 HydrophobicContact CG1-CD1 4.07Å; I244-I283 HydrophobicContact CG2-CD1 4.06Å
245C97.8Very high96.4Very high19 Ų1921.1 Ų21.113%0.12812%0.12CC..Hα-helixtrans-69.3-35.5172-67.80000112.2S242 S243 R249 L256 L259 P262S242-C245 PolarHBondContact O-N 2.81Å; S243-C245 VanDerWaalsContact C-N 3.27Å; S243-C245 PolarHBondContact O-N 3.18Å; C245-R249 PolarHBondContact O-N 2.98Å; C245-R249 VanDerWaalsContact O-N 3.13Å; C245-L256 HydrophobicContact CB-CD2 3.9Å; C245-L256 VanDerWaalsContact O-CD2 3.3Å; C245-L256 WeakPolarHBondContact O-CD2 3.23Å; C245-L259 HydrophobicContact CB-CD1 4.08Å; C245-P262 WeakPolarHBondContact SG-CG 3.12Å
246A95.9Very high96.5Very high27 Ų2724.7 Ų24.722%0.22314%0.137CC..Hα-helixtrans-66-44.117400000111.1S242 S243 I248 R249 D250S242-A246 PolarHBondContact O-N 2.81Å; S243-A246 CarbonylContact O-C 3.59Å; S243-A246 WeakPolarHBondContact O-CA 3.15Å; S243-A246 VanDerWaalsContact O-CB 3.3Å; S243-A246 WeakPolarHBondContact O-CB 3.33Å; S243-A246 PolarHBondContact O-N 2.91Å; A246-I248 VanDerWaalsContact C-N 3.35Å; A246-I248 PolarHBondContact O-N 3.18Å; A246-R249 WeakPolarHBondContact O-CB 3.45Å; A246-R249 PolarHBondContact O-N 2.92Å; A246-R249 VanDerWaalsContact O-N 3.08Å; A246-D250 WeakPolarHBondContact O-CB 3.41Å; A246-D250 VanDerWaalsContact O-CG 3.27Å; A246-D250 PolarHBondContact O-N 3.28Å
247E96.3Very high96.6Very high31 Ų3130 Ų3015%0.14518%0.175CC..Hα-helixtrans-57.2-47175.5-58.1-62.2-173.900111.1G204 H205 S243 I244 R249 D250 E251G204-E247 WeakPolarHBondContact CA-OE1 3.42Å; H205-E247 PolarHBondContact N-OE1 3.36Å; S243-E247 WeakPolarHBondContact O-CG 3.5Å; S243-E247 PolarHBondContact O-N 2.98Å; I244-E247 HydrophobicContact CD1-CB 4.5Å; E247-R249 VanDerWaalsContact C-N 3.29Å; E247-R249 PolarHBondContact O-N 3.28Å; E247-D250 PolarHBondContact O-N 3.04Å; E247-E251 VanDerWaalsContact O-CB 3.3Å; E247-E251 WeakPolarHBondContact O-CB 3.28Å; E247-E251 PolarHBondContact O-N 2.86Å
248I96.7Very high96.7Very high0 Ų030.4 Ų30.40%018%0.178CC..Hα-helixtrans-60.4-39.9177-69.7163.7000111.8A174 L176 P202 I244 A246 V252 N253 I254 L259 I283A174-I248 HydrophobicContact CB-CD1 3.79Å; L176-I248 HydrophobicContact CD1-CD1 4.34Å; L176-I248 HydrophobicContact CD2-CG2 3.94Å; P202-I248 HydrophobicContact CB-CG1 3.72Å; P202-I248 HydrophobicContact CG-CG1 4.42Å; I244-I248 WeakPolarHBondContact O-CG1 3.18Å; I244-I248 PolarHBondContact O-N 3.46Å; I244-I248 VanDerWaalsContact O-N 3.13Å; A246-I248 VanDerWaalsContact C-N 3.35Å; A246-I248 PolarHBondContact O-N 3.18Å; I248-V252 CarbonylContact O-C 3.56Å; I248-V252 WeakPolarHBondContact O-CA 3.36Å; I248-V252 VanDerWaalsContact O-CB 3.27Å; I248-V252 WeakPolarHBondContact O-CB 3.37Å; I248-V252 PolarHBondContact O-N 3.28Å; I248-N253 PolarHBondContact O-N 2.9Å; I248-I254 HydrophobicContact CG2-CB 4.05Å; I248-I254 HydrophobicContact CG2-CD1 4.03Å; I248-I254 HydrophobicContact CG2-CG1 4.44Å; I248-L259 HydrophobicContact CB-CD1 4.15Å; I248-L259 HydrophobicContact CD1-CD1 4.39Å; I248-L259 HydrophobicContact CG2-CD1 3.91Å; I248-L259 HydrophobicContact CG2-CD2 3.99Å; I248-I283 HydrophobicContact CD1-CD1 3.55Å
249R96.3Very high96.8Very high96 Ų9629.9 Ų29.936%0.36217%0.172SC..Hα-helixtrans-66-44.4176.6178.9-160.568-154.7-8110.8C245 A246 E247 N253 I254 L256C245-R249 PolarHBondContact O-N 2.98Å; C245-R249 VanDerWaalsContact O-N 3.13Å; A246-R249 WeakPolarHBondContact O-CB 3.45Å; A246-R249 PolarHBondContact O-N 2.92Å; A246-R249 VanDerWaalsContact O-N 3.08Å; E247-R249 VanDerWaalsContact C-N 3.29Å; E247-R249 PolarHBondContact O-N 3.28Å; R249-N253 WeakPolarHBondContact O-CA 3.39Å; R249-N253 PolarHBondContact O-N 3.37Å; R249-I254 WeakPolarHBondContact CA-O 3.3Å; R249-L256 HydrophobicContact CB-CD2 4.05Å
250D94Very high96.8Very high34 Ų3430.3 Ų30.318%0.18218%0.18CC..Hα-helixtrans-78.4-36.5-170.4-67-19.6000111.9A246 E247 G300 A301 E302A246-D250 WeakPolarHBondContact O-CB 3.41Å; A246-D250 VanDerWaalsContact O-CG 3.27Å; A246-D250 PolarHBondContact O-N 3.28Å; E247-D250 PolarHBondContact O-N 3.04Å; D250-G300 CarbonylContact O-C 3.51Å; D250-G300 WeakPolarHBondContact O-CA 3.34Å; D250-A301 HydrophobicContact CB-CB 4.14Å; D250-A301 PolarHBondContact O-N 3.48Å; D250-E302 HydrophobicContact CB-CG 4.33Å; D250-E302 PolarHBondContact O-N 3.42Å
251E93.1Very high96.9Very high9 Ų934.2 Ų34.24%0.04221%0.213CC..Hα-helixtrans-88.5-46.9179.3-171.2175.6-150.200112.8I186 E247I186-E251 VanDerWaalsContact CD1-CD 3.41Å; I186-E251 WeakPolarHBondContact CD1-OE1 3.45Å; I186-E251 WeakPolarHBondContact CD1-OE2 3.49Å; E247-E251 VanDerWaalsContact O-CB 3.3Å; E247-E251 WeakPolarHBondContact O-CB 3.28Å; E247-E251 PolarHBondContact O-N 2.86Å
252V95.3Very high96.9Very high0 Ų034.8 Ų34.80%022%0.217CC..Hα-helixtrans-98-8.1-173.6-161.10000112.9V184 I186 P202 I248 I254 V292 Y296V184-V252 HydrophobicContact CG1-CG1 4.43Å; I186-V252 HydrophobicContact CG2-CG2 4.46Å; P202-V252 HydrophobicContact CB-CG2 4.09Å; P202-V252 HydrophobicContact CG-CG2 3.73Å; I248-V252 CarbonylContact O-C 3.56Å; I248-V252 WeakPolarHBondContact O-CA 3.36Å; I248-V252 VanDerWaalsContact O-CB 3.27Å; I248-V252 WeakPolarHBondContact O-CB 3.37Å; I248-V252 PolarHBondContact O-N 3.28Å; V252-I254 VanDerWaalsContact C-N 3.25Å; V252-I254 HydrophobicContact CB-CD1 4.26Å; V252-I254 HydrophobicContact CB-CG1 4.22Å; V252-I254 HydrophobicContact CG1-CD1 3.87Å; V252-I254 HydrophobicContact CG1-CG1 4.01Å; V252-I254 PolarHBondContact O-N 2.81Å; V252-V292 HydrophobicContact CG1-CG1 3.9Å; V252-Y296 HydrophobicContact CG1-CD2 4.31Å
253N96.5Very high97Very high45 Ų4533.6 Ų33.624%0.24121%0.208CC..  trans61.828.4-180-164.136.2000114.4I248 R249 L295 G299I248-N253 PolarHBondContact O-N 2.9Å; R249-N253 WeakPolarHBondContact O-CA 3.39Å; R249-N253 PolarHBondContact O-N 3.37Å; N253-L295 HydrophobicContact CB-CB 4.49Å; N253-L295 WeakPolarHBondContact CB-O 3.36Å; N253-L295 PolarHBondContact ND2-O 3.25Å; N253-G299 PolarHBondContact ND2-O 2.86Å; N253-G299 PolarHBondContact OD1-O 3.5Å
254I96.8Very high97Very high1 Ų133.3 Ų33.31%0.00521%0.206CC..  trans-87.1128.4176-60174.5000109.2L176 I248 R249 V252 L259 L287 V292L176-I254 HydrophobicContact CD2-CD1 3.51Å; I248-I254 HydrophobicContact CG2-CB 4.05Å; I248-I254 HydrophobicContact CG2-CD1 4.03Å; I248-I254 HydrophobicContact CG2-CG1 4.44Å; R249-I254 WeakPolarHBondContact CA-O 3.3Å; V252-I254 VanDerWaalsContact C-N 3.25Å; V252-I254 HydrophobicContact CB-CD1 4.26Å; V252-I254 HydrophobicContact CB-CG1 4.22Å; V252-I254 HydrophobicContact CG1-CD1 3.87Å; V252-I254 HydrophobicContact CG1-CG1 4.01Å; V252-I254 PolarHBondContact O-N 2.81Å; I254-L259 HydrophobicContact CB-CD2 4.47Å; I254-L259 HydrophobicContact CG2-CD2 3.69Å; I254-L259 HydrophobicContact CG2-CG 4.22Å; I254-L287 HydrophobicContact CG2-CD1 4.19Å; I254-V292 HydrophobicContact CD1-CB 4.42Å; I254-V292 HydrophobicContact CD1-CG1 3.81Å; I254-V292 HydrophobicContact CD1-CG2 3.81Å; I254-V292 HydrophobicContact CG1-CG1 4.32Å; I254-V292 HydrophobicContact CG1-CG2 4.34Å
255P96.9Very high97.1Very high52 Ų5233.3 Ų33.334%0.33821%0.206SC..  trans-66.4140.3178.327.7-34.6000111S257 S258P255-S257 PolarHBondContact O-N 3.07Å; P255-S257 VanDerWaalsContact O-N 3.07Å; P255-S258 WeakPolarHBondContact O-CB 3.22Å; P255-S258 PolarHBondContact O-N 3.44Å
256L97.6Very high97.1Very high84 Ų8432.4 Ų32.444%0.4420%0.2SC..G310 helixtrans-55.4-31.2179.5-60.9179.5000112.9C245 R249 S258 L259C245-L256 HydrophobicContact CB-CD2 3.9Å; C245-L256 VanDerWaalsContact O-CD2 3.3Å; C245-L256 WeakPolarHBondContact O-CD2 3.23Å; R249-L256 HydrophobicContact CB-CD2 4.05Å; L256-S258 PolarHBondContact O-N 3.25Å; L256-L259 HydrophobicContact CD2-CD1 4.24Å; L256-L259 PolarHBondContact O-N 3.19Å; L256-L259 VanDerWaalsContact O-N 3.13Å
257S98.1Very high97.2Very high112 Ų11231.1 Ų31.178%0.78319%0.189SC*.G310 helixtrans-65.7-15.4176.758.20000114.3P255P255-S257 PolarHBondContact O-N 3.07Å; P255-S257 VanDerWaalsContact O-N 3.07Å
258S98.4Very high97.3Very high16 Ų1629.8 Ų29.811%0.11218%0.184CC..G310 helixtrans-96.3-5.7176.4-68.80000113.2P255 L256 C285 S286P255-S258 WeakPolarHBondContact O-CB 3.22Å; P255-S258 PolarHBondContact O-N 3.44Å; L256-S258 PolarHBondContact O-N 3.25Å; S258-C285 CarbonylContact O-C 3.58Å; S258-C285 VanDerWaalsContact O-CA 3.3Å; S258-C285 WeakPolarHBondContact O-CA 3.37Å; S258-S286 WeakPolarHBondContact CA-OG 3.19Å; S258-S286 WeakPolarHBondContact CB-OG 3.3Å; S258-S286 PolarHBondContact O-N 2.92Å; S258-S286 PolarHBondContact OG-OG 2.92Å
259L98.6Very high97.4Very high23 Ų2331.2 Ų31.212%0.1219%0.191CC..BIsolated β-bridgetrans-95.2134.5178.9-58-179000110.6L176 C245 I248 I254 L256 I283L176-L259 HydrophobicContact CD1-CD2 3.82Å; C245-L259 HydrophobicContact CB-CD1 4.08Å; I248-L259 HydrophobicContact CB-CD1 4.15Å; I248-L259 HydrophobicContact CD1-CD1 4.39Å; I248-L259 HydrophobicContact CG2-CD1 3.91Å; I248-L259 HydrophobicContact CG2-CD2 3.99Å; I254-L259 HydrophobicContact CB-CD2 4.47Å; I254-L259 HydrophobicContact CG2-CD2 3.69Å; I254-L259 HydrophobicContact CG2-CG 4.22Å; L256-L259 HydrophobicContact CD2-CD1 4.24Å; L256-L259 PolarHBondContact O-N 3.19Å; L256-L259 VanDerWaalsContact O-N 3.13Å; L259-I283 HydrophobicContact CB-CG2 4.03Å; L259-I283 HydrophobicContact CD2-CG2 4.11Å
260G98.2Very high97.4Very high22 Ų2227 Ų2723%0.22718%0.176CC..PPolyproline II helixtrans-70.516716700000111.7S284G260-S284 PolarHBondContact N-O 3.28Å
261A97.7Very high97.5Very high86 Ų8628.9 Ų28.971%0.71118%0.183SC*.PPolyproline II helixtrans-64131.4175.200000110.5
262P98.3Very high97.6Very high17 Ų1732 Ų3211%0.1120%0.203CC..PPolyproline II helixtrans-63141.7179.2-22.333000113F241 I244 C245 F281 I283F241-P262 HydrophobicContact CD1-CB 3.98Å; F241-P262 WeakPolarHBondContact CE1-O 3.31Å; I244-P262 HydrophobicContact CG2-CB 4.37Å; I244-P262 HydrophobicContact CG2-CG 4.25Å; C245-P262 WeakPolarHBondContact SG-CG 3.12Å; P262-F281 HydrophobicContact CB-CB 4.41Å; P262-F281 HydrophobicContact CB-CD1 3.79Å; P262-F281 HydrophobicContact CB-CE1 4.47Å; P262-F281 HydrophobicContact CB-CG 4.36Å; P262-I283 HydrophobicContact CB-CD1 4.05Å; P262-I283 HydrophobicContact CB-CG1 3.93Å; P262-I283 HydrophobicContact CG-CD1 3.86Å; P262-I283 HydrophobicContact CG-CG1 4.08Å
263V98.5Very high97.6Very high24 Ų2432 Ų3215%0.14520%0.203CC..EExtended strand (participates in β ladder)trans-119.1113.8176.11790000108.3M265 F281 Y282V263-M265 PolarHBondContact O-N 3.29Å; V263-F281 CarbonylContact O-C 3.53Å; V263-F281 VanDerWaalsContact O-CA 3.28Å; V263-F281 WeakPolarHBondContact O-CA 3.4Å; V263-Y282 HydrophobicContact CB-CD1 4.4Å; V263-Y282 HydrophobicContact CG2-CD1 4.46Å; V263-Y282 PolarHBondContact N-O 2.97Å; V263-Y282 PolarHBondContact O-N 3.25Å
264L98.6Very high97.6Very high2 Ų230.2 Ų30.21%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-67.1115.2177.4176.965.4000109.4G17 L18 V23 L127 F241 G266 F281G17-L264 CarbonylContact C-O 3.55Å; G17-L264 VanDerWaalsContact CA-O 3.22Å; G17-L264 WeakPolarHBondContact CA-O 3.34Å; L18-L264 HydrophobicContact CB-CB 4.32Å; L18-L264 PolarHBondContact N-O 3.41Å; L18-L264 PolarHBondContact O-N 2.99Å; V23-L264 HydrophobicContact CG2-CD2 4.07Å; L127-L264 HydrophobicContact CD2-CD2 3.55Å; F241-L264 HydrophobicContact CZ-CB 4.02Å; L264-G266 WeakPolarHBondContact CD1-O 3.34Å; L264-F281 HydrophobicContact CB-CD1 4.07Å; L264-F281 HydrophobicContact CB-CE1 3.83Å; L264-F281 HydrophobicContact CD1-CD1 4.38Å; L264-F281 HydrophobicContact CD1-CE1 4Å; L264-F281 HydrophobicContact CD1-CE2 4.3Å; L264-F281 HydrophobicContact CD1-CZ 3.96Å; L264-F281 HydrophobicContact CG-CE1 4.49Å
265M98.6Very high97.6Very high0 Ų030.3 Ų30.30%020%0.196CC..EExtended strand (participates in β ladder)trans-84.6-32.5176.3-60.9-169.5-72.200111.6C12 V175 V263 E280 F281 L340 Y341 V344 P346C12-M265 VanDerWaalsContact CB-O 3.25Å; C12-M265 WeakPolarHBondContact CB-O 3.41Å; C12-M265 PolarHBondContact N-O 2.81Å; V175-M265 HydrophobicContact CB-CE 3.95Å; V175-M265 HydrophobicContact CG2-CE 3.46Å; V175-M265 VanDerWaalsContact CG2-CE 3.46Å; V263-M265 PolarHBondContact O-N 3.29Å; M265-E280 WeakPolarHBondContact CB-O 3.31Å; M265-E280 HydrophobicContact CE-CB 4.28Å; M265-E280 PolarHBondContact N-O 3.11Å; M265-F281 WeakPolarHBondContact CE-O 3.04Å; M265-L340 HydrophobicContact CB-CB 3.99Å; M265-L340 HydrophobicContact CE-CB 4.3Å; M265-Y341 HydrophobicContact SD-CD2 4.04Å; M265-V344 HydrophobicContact CB-CB 4.36Å; M265-V344 HydrophobicContact CB-CG1 4.41Å; M265-V344 HydrophobicContact CB-CG2 4.06Å; M265-V344 HydrophobicContact CG-CG1 4.36Å; M265-V344 WeakPolarHBondContact O-CG2 3.21Å; M265-P346 HydrophobicContact CG-CG 4.3Å; M265-P346 HydrophobicContact SD-CG 3.87Å
266G98.4Very high97.6Very high0 Ų028.9 Ų28.90%018%0.184CC..EExtended strand (participates in β ladder)trans161-161.5-17800000113.3L10 L264 E280L10-G266 CarbonylContact O-C 3.55Å; L10-G266 WeakPolarHBondContact O-CA 3.27Å; L264-G266 WeakPolarHBondContact CD1-O 3.34Å; G266-E280 PolarHBondContact N-O 3.49Å; G266-E280 PolarHBondContact O-N 3.22Å
267I98.7Very high97.6Very high0 Ų025 Ų250%016%0.164CC..EExtended strand (participates in β ladder)trans-128.8125.1178.3-55177.5000108.8L9 L10 L65 L129 P277 S278L9-I267 HydrophobicContact CB-CB 4.26Å; L9-I267 HydrophobicContact CB-CG2 4.22Å; L9-I267 HydrophobicContact CD2-CG2 4.04Å; L9-I267 PolarHBondContact N-O 2.98Å; L10-I267 HydrophobicContact CB-CB 4.25Å; L10-I267 HydrophobicContact CB-CG1 4.36Å; L10-I267 HydrophobicContact CD2-CD1 4.32Å; L10-I267 HydrophobicContact CD2-CG1 4.37Å; L10-I267 PolarHBondContact N-O 3.4Å; L10-I267 PolarHBondContact O-N 2.76Å; L65-I267 HydrophobicContact CD2-CD1 3.84Å; L65-I267 HydrophobicContact CD2-CG2 4Å; L129-I267 HydrophobicContact CD2-CD1 3.88Å; I267-P277 HydrophobicContact CG2-CB 3.91Å; I267-S278 CarbonylContact C-O 3.54Å; I267-S278 VanDerWaalsContact CA-O 3.28Å; I267-S278 WeakPolarHBondContact CA-O 3.42Å; I267-S278 WeakPolarHBondContact CG2-O 3.45Å
268A98.4Very high97.6Very high3 Ų320.2 Ų20.23%0.02513%0.13CC..EExtended strand (participates in β ladder)trans-105.5153.8173.300000111V6 S7 L8 P277 S278 E280 L340V6-A268 HydrophobicContact CG2-CB 4.48Å; S7-A268 CarbonylContact O-C 3.54Å; S7-A268 WeakPolarHBondContact O-CA 3.5Å; L8-A268 HydrophobicContact CD2-CB 4.18Å; A268-P277 CarbonylContact O-C 3.51Å; A268-P277 WeakPolarHBondContact O-CA 3.41Å; A268-S278 PolarHBondContact N-O 2.79Å; A268-S278 PolarHBondContact O-N 3.23Å; A268-E280 HydrophobicContact CB-CG 4.21Å; A268-L340 HydrophobicContact CB-CD1 4.43Å
269L98Very high97.6Very high30 Ų3019.6 Ų19.616%0.15713%0.126CC..EExtended strand (participates in β ladder)trans-113.2128.6178.3-54.9-177.3000110.1V6 S7 L9 P277V6-L269 WeakPolarHBondContact CA-O 3.21Å; S7-L269 PolarHBondContact N-O 3.1Å; S7-L269 PolarHBondContact O-N 3.08Å; L9-L269 HydrophobicContact CB-CD1 4.19Å; L9-L269 HydrophobicContact CB-CD2 3.9Å; L9-L269 HydrophobicContact CB-CG 3.92Å; L9-L269 HydrophobicContact CD2-CD2 4.06Å; L9-L269 HydrophobicContact CG-CD2 4.5Å; L269-P277 HydrophobicContact CD2-CB 3.82Å
270N97Very high97.7Very high8 Ų818.5 Ų18.54%0.04312%0.12CC..EExtended strand (participates in β ladder)trans-91.1104.3172.3176.8-1.6000110.3E194 T272 S273 G275 R276 P332E194-N270 PolarHBondContact OE1-ND2 2.99Å; N270-T272 VanDerWaalsContact C-N 3.34Å; N270-T272 PolarHBondContact O-N 3.26Å; N270-T272 PolarHBondContact OD1-N 3.03Å; N270-T272 PolarHBondContact OD1-OG1 3.02Å; N270-S273 CarbonylContact O-C 3.48Å; N270-S273 PolarHBondContact O-N 3.12Å; N270-S273 PolarHBondContact OD1-N 2.88Å; N270-G275 CarbonylContact O-C 3.46Å; N270-G275 WeakPolarHBondContact O-CA 3.48Å; N270-G275 PolarHBondContact O-N 2.84Å; N270-R276 PolarHBondContact N-O 3.24Å; N270-R276 PolarHBondContact O-N 3.28Å; N270-P332 HydrophobicContact CB-CB 4.08Å; N270-P332 WeakPolarHBondContact OD1-CB 3.5Å; N270-P332 WeakPolarHBondContact OD1-CG 3.4Å
271H95.8Very high97.7Very high72 Ų7217.5 Ų17.533%0.33311%0.109SC..G310 helixtrans-76.3-17.3-179.3-65.3-57.2000114P4 E5 S7 S273 A274P4-H271 WeakPolarHBondContact O-CB 3.28Å; E5-H271 WeakPolarHBondContact O-CB 3.26Å; E5-H271 PolarHBondContact O-N 3.03Å; S7-H271 WeakPolarHBondContact CB-NE2 3.45Å; S7-H271 PolarHBondContact OG-CE1 3.19Å; S7-H271 PolarHBondContact OG-NE2 3.31Å; H271-S273 PolarHBondContact O-N 3.17Å; H271-A274 PolarHBondContact O-N 3.32Å
272T94.4Very high97.7Very high75 Ų7514.8 Ų14.846%0.468%0.081SC..G310 helixtrans-73.3-20.7170.577.40000111.6E5 N270 P332E5-T272 HydrophobicContact CB-CG2 3.95Å; E5-T272 HydrophobicContact CG-CG2 3.81Å; N270-T272 VanDerWaalsContact C-N 3.34Å; N270-T272 PolarHBondContact O-N 3.26Å; N270-T272 PolarHBondContact OD1-N 3.03Å; N270-T272 PolarHBondContact OD1-OG1 3.02Å; T272-P332 HydrophobicContact CG2-CG 3.83Å
273S95.8Very high97.7Very high0 Ų014 Ų140%08%0.076CC..G310 helixtrans-109.938.6173-168.40000111.8Y139 N143 N270 H271 G275 R276Y139-S273 WeakPolarHBondContact CE2-OG 3.27Å; Y139-S273 PolarHBondContact OH-OG 2.76Å; N143-S273 PolarHBondContact ND2-O 3.32Å; N143-S273 VanDerWaalsContact ND2-O 3.12Å; N270-S273 CarbonylContact O-C 3.48Å; N270-S273 PolarHBondContact O-N 3.12Å; N270-S273 PolarHBondContact OD1-N 2.88Å; H271-S273 PolarHBondContact O-N 3.17Å; S273-G275 VanDerWaalsContact C-N 3.29Å; S273-G275 PolarHBondContact O-N 3Å; S273-R276 WeakPolarHBondContact O-CB 3.31Å; S273-R276 PolarHBondContact O-N 3.12Å; S273-R276 VanDerWaalsContact O-N 3.12Å
274A96.4Very high97.7Very high7 Ų715.2 Ų15.26%0.0589%0.085CC..THydrogen-bonded Turntrans57.336.8174.700000115V148 L166 Q168 H271V148-A274 HydrophobicContact CG2-CB 3.37Å; L166-A274 HydrophobicContact CD1-CB 4.09Å; Q168-A274 PolarHBondContact NE2-O 3.35Å; H271-A274 PolarHBondContact O-N 3.32Å
275G96.6Very high97.7Very high4 Ų415.4 Ų15.44%0.0419%0.087CC..THydrogen-bonded Turntrans80.118.8179.300000114Q168 N270 S273Q168-G275 PolarHBondContact OE1-O 3Å; Q168-G275 VanDerWaalsContact OE1-O 3.12Å; N270-G275 CarbonylContact O-C 3.46Å; N270-G275 WeakPolarHBondContact O-CA 3.48Å; N270-G275 PolarHBondContact O-N 2.84Å; S273-G275 VanDerWaalsContact C-N 3.29Å; S273-G275 PolarHBondContact O-N 3Å
276R97.3Very high97.7Very high21 Ų2119 Ų198%0.07911%0.112CC..EExtended strand (participates in β ladder)trans-51.3124.6178.5179.9173.663.689-12.5110.4P169 E194 H205 N270 S273P169-R276 HydrophobicContact CG-CG 4.33Å; P169-R276 VanDerWaalsContact O-CG 3.28Å; P169-R276 WeakPolarHBondContact O-CG 3.41Å; E194-R276 IonicContact OE1-NH2 3.77Å; E194-R276 IonicContact OE2-NH2 2.62Å; E194-R276 PolarHBondContact OE2-NH2 3.12Å; H205-R276 PolarHBondContact NE2-NH1 2.95Å; H205-R276 VanDerWaalsContact NE2-NH1 3.12Å; N270-R276 PolarHBondContact N-O 3.24Å; N270-R276 PolarHBondContact O-N 3.28Å; S273-R276 WeakPolarHBondContact O-CB 3.31Å; S273-R276 PolarHBondContact O-N 3.12Å; S273-R276 VanDerWaalsContact O-N 3.12Å
277P98.2Very high97.7Very high4 Ų420.1 Ų20.13%0.02612%0.118CC..EExtended strand (participates in β ladder)trans-83.4150.5-176.330.3-32.2000112.4L65 Q168 L170 G171 I267 A268 L269L65-P277 HydrophobicContact CB-CB 4.44Å; L65-P277 HydrophobicContact CB-CG 3.76Å; L65-P277 HydrophobicContact CD2-CB 3.63Å; L65-P277 HydrophobicContact CD2-CG 3.88Å; L65-P277 HydrophobicContact CG-CG 4.41Å; Q168-P277 VanDerWaalsContact OE1-CD 3.26Å; L170-P277 HydrophobicContact CD1-CB 4.23Å; L170-P277 HydrophobicContact CD1-CG 4.33Å; G171-P277 PolarHBondContact N-O 3.36Å; I267-P277 HydrophobicContact CG2-CB 3.91Å; A268-P277 CarbonylContact O-C 3.51Å; A268-P277 WeakPolarHBondContact O-CA 3.41Å; L269-P277 HydrophobicContact CD2-CB 3.82Å
278S98.4Very high97.7Very high11 Ų1121.4 Ų21.48%0.07713%0.127CC..EExtended strand (participates in β ladder)trans-138.3129.1172.7-178.80000110G171 I267 A268 E280G171-S278 WeakPolarHBondContact O-CA 3.49Å; I267-S278 CarbonylContact C-O 3.54Å; I267-S278 VanDerWaalsContact CA-O 3.28Å; I267-S278 WeakPolarHBondContact CA-O 3.42Å; I267-S278 WeakPolarHBondContact CG2-O 3.45Å; A268-S278 PolarHBondContact N-O 2.79Å; A268-S278 PolarHBondContact O-N 3.23Å; S278-E280 WeakPolarHBondContact CB-OE1 3.36Å; S278-E280 PolarHBondContact OG-OE1 3Å
279S98.6Very high97.7Very high2 Ų222.1 Ų22.11%0.01413%0.132CC..EExtended strand (participates in β ladder)trans-80.8117.8171.4-76.40000109.3G171 V172 G173 F281G171-S279 PolarHBondContact O-N 2.99Å; V172-S279 VanDerWaalsContact CA-O 3.3Å; V172-S279 WeakPolarHBondContact CA-O 3.34Å; G173-S279 PolarHBondContact N-O 2.84Å; S279-F281 WeakPolarHBondContact O-CD2 3.21Å; S279-F281 WeakPolarHBondContact O-CE2 3.49Å
280E98.7Very high97.8Very high0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-102.5127.8-175.3-52.5-59162.900110.6G173 I201 M265 G266 A268 S278 A337 L340G173-E280 VanDerWaalsContact CA-OE2 3.28Å; G173-E280 WeakPolarHBondContact CA-OE2 3.15Å; G173-E280 WeakPolarHBondContact O-CA 3.39Å; I201-E280 VanDerWaalsContact CD1-OE2 3.3Å; I201-E280 WeakPolarHBondContact CD1-OE2 3.44Å; M265-E280 WeakPolarHBondContact CB-O 3.31Å; M265-E280 HydrophobicContact CE-CB 4.28Å; M265-E280 PolarHBondContact N-O 3.11Å; G266-E280 PolarHBondContact N-O 3.49Å; G266-E280 PolarHBondContact O-N 3.22Å; A268-E280 HydrophobicContact CB-CG 4.21Å; S278-E280 WeakPolarHBondContact CB-OE1 3.36Å; S278-E280 PolarHBondContact OG-OE1 3Å; E280-A337 HydrophobicContact CB-CB 4.21Å; E280-A337 HydrophobicContact CG-CB 4.05Å; E280-L340 HydrophobicContact CB-CD1 3.61Å; E280-L340 HydrophobicContact CG-CD1 3.68Å
281F98.8Very high97.8Very high2 Ų230.9 Ų30.91%0.00917%0.171CC..EExtended strand (participates in β ladder)trans-112.4152.9-175.7-64.8-94.7000111.5V172 G173 A174 V175 F241 I244 P262 V263 L264 M265 S279V172-F281 HydrophobicContact CB-CE2 4.17Å; V172-F281 HydrophobicContact CG1-CE2 3.91Å; G173-F281 PolarHBondContact O-N 3.18Å; A174-F281 CarbonylContact C-O 3.51Å; A174-F281 VanDerWaalsContact CA-O 3.31Å; A174-F281 WeakPolarHBondContact CA-O 3.25Å; V175-F281 PolarHBondContact N-O 2.81Å; F241-F281 HydrophobicContact CD1-CD1 4.37Å; F241-F281 AromaticContact CD1-CE1 3.81Å; F241-F281 HydrophobicContact CD1-CE1 3.81Å; F241-F281 HydrophobicContact CD2-CE1 4.07Å; F241-F281 HydrophobicContact CD2-CZ 4.4Å; F241-F281 HydrophobicContact CE1-CD1 4.26Å; F241-F281 AromaticContact CE1-CE1 3.71Å; F241-F281 HydrophobicContact CE1-CE1 3.71Å; F241-F281 AromaticContact CE2-CE1 3.99Å; F241-F281 HydrophobicContact CE2-CE1 3.99Å; F241-F281 HydrophobicContact CE2-CZ 4.46Å; F241-F281 AromaticContact CG-CE1 3.99Å; F241-F281 HydrophobicContact CG-CE1 3.99Å; F241-F281 AromaticContact CZ-CE1 3.81Å; F241-F281 HydrophobicContact CZ-CE1 3.81Å; I244-F281 HydrophobicContact CB-CD2 4.41Å; I244-F281 HydrophobicContact CG1-CD2 4.43Å; I244-F281 HydrophobicContact CG2-CD2 4.08Å; I244-F281 HydrophobicContact CG2-CE2 4.4Å; I244-F281 HydrophobicContact CG2-CG 4.21Å; P262-F281 HydrophobicContact CB-CB 4.41Å; P262-F281 HydrophobicContact CB-CD1 3.79Å; P262-F281 HydrophobicContact CB-CE1 4.47Å; P262-F281 HydrophobicContact CB-CG 4.36Å; V263-F281 CarbonylContact O-C 3.53Å; V263-F281 VanDerWaalsContact O-CA 3.28Å; V263-F281 WeakPolarHBondContact O-CA 3.4Å; L264-F281 HydrophobicContact CB-CD1 4.07Å; L264-F281 HydrophobicContact CB-CE1 3.83Å; L264-F281 HydrophobicContact CD1-CD1 4.38Å; L264-F281 HydrophobicContact CD1-CE1 4Å; L264-F281 HydrophobicContact CD1-CE2 4.3Å; L264-F281 HydrophobicContact CD1-CZ 3.96Å; L264-F281 HydrophobicContact CG-CE1 4.49Å; M265-F281 WeakPolarHBondContact CE-O 3.04Å; S279-F281 WeakPolarHBondContact O-CD2 3.21Å; S279-F281 WeakPolarHBondContact O-CE2 3.49Å
282Y98.7Very high97.9Very high28 Ų2827.4 Ų27.411%0.1116%0.155CC..EExtended strand (participates in β ladder)trans-101.3137.4159.9165.6-94.6000109.7C177 V263 Y341 P346C177-Y282 HydrophobicContact CB-CE2 3.75Å; V263-Y282 HydrophobicContact CB-CD1 4.4Å; V263-Y282 HydrophobicContact CG2-CD1 4.46Å; V263-Y282 PolarHBondContact N-O 2.97Å; V263-Y282 PolarHBondContact O-N 3.25Å; Y282-Y341 HydrophobicContact CD2-CD2 4.27Å; Y282-Y341 AromaticContact CD2-CE2 3.81Å; Y282-Y341 HydrophobicContact CD2-CE2 3.81Å; Y282-Y341 HydrophobicContact CE2-CE2 4.08Å; Y282-P346 VanDerWaalsContact CB-CG 3.4Å; Y282-P346 HydrophobicContact CD1-CB 3.78Å; Y282-P346 HydrophobicContact CD1-CG 3.99Å; Y282-P346 HydrophobicContact CD2-CB 4.31Å; Y282-P346 HydrophobicContact CD2-CG 3.61Å; Y282-P346 HydrophobicContact CE1-CB 4.44Å; Y282-P346 HydrophobicContact CE2-CG 4.34Å; Y282-P346 HydrophobicContact CG-CB 3.7Å; Y282-P346 HydrophobicContact CG-CG 3.38Å
283I98.6Very high98.1Very high0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-137.8123.1177.2-60.9178000108.3A174 V175 L176 C177 I244 I248 L259 P262A174-I283 HydrophobicContact CB-CD1 3.96Å; A174-I283 HydrophobicContact CB-CG1 4.38Å; V175-I283 PolarHBondContact O-N 3.35Å; V175-I283 VanDerWaalsContact O-N 3.08Å; L176-I283 WeakPolarHBondContact CA-O 3.19Å; L176-I283 HydrophobicContact CD1-CB 4.18Å; L176-I283 HydrophobicContact CD1-CG2 3.97Å; C177-I283 PolarHBondContact N-O 3.46Å; I244-I283 HydrophobicContact CG1-CD1 4.07Å; I244-I283 HydrophobicContact CG2-CD1 4.06Å; I248-I283 HydrophobicContact CD1-CD1 3.55Å; L259-I283 HydrophobicContact CB-CG2 4.03Å; L259-I283 HydrophobicContact CD2-CG2 4.11Å; P262-I283 HydrophobicContact CB-CD1 4.05Å; P262-I283 HydrophobicContact CB-CG1 3.93Å; P262-I283 HydrophobicContact CG-CD1 3.86Å; P262-I283 HydrophobicContact CG-CG1 4.08Å
284S98.2Very high98.2Very high50 Ų5030.6 Ų30.635%0.3517%0.168SC..EExtended strand (participates in β ladder)trans-80148.9170.158.30000110.6C177 G260C177-S284 CarbonylContact O-C 3.53Å; G260-S284 PolarHBondContact N-O 3.28Å
285C98.4Very high98.2Very high6 Ų632 Ų324%0.04117%0.174CC..BIsolated β-bridgetrans-127.8131.3179-178.20000109.7L176 C177 C179 S258 L287L176-C285 HydrophobicContact CD1-CB 3.83Å; C177-C285 WeakPolarHBondContact O-CB 3.43Å; C177-C285 PolarHBondContact O-N 3.2Å; C179-C285 PolarHBondContact N-O 2.9Å; C179-C285 VanDerWaalsContact N-O 3.12Å; S258-C285 CarbonylContact O-C 3.58Å; S258-C285 VanDerWaalsContact O-CA 3.3Å; S258-C285 WeakPolarHBondContact O-CA 3.37Å; C285-L287 PolarHBondContact O-N 3.03Å; C285-L287 PolarHBondContact SG-N 2.9Å
286S98.6Very high98.1Very high76 Ų7632.3 Ų32.353%0.53117%0.174SC..SBendtrans-72.1-14.217970.20000113.4C179 S258C179-S286 PolarHBondContact SG-O 3.14Å; S258-S286 WeakPolarHBondContact CA-OG 3.19Å; S258-S286 WeakPolarHBondContact CB-OG 3.3Å; S258-S286 PolarHBondContact O-N 2.92Å; S258-S286 PolarHBondContact OG-OG 2.92Å
287L98.7Very high98Very high24 Ų2438.7 Ų38.713%0.12620%0.199CC..SBendtrans-89149.9-178.1-55.4-179.5000111.3T178 C179 I254 C285 E291 V292 L295T178-L287 WeakPolarHBondContact CA-O 3.35Å; T178-L287 VanDerWaalsContact CB-O 3.27Å; T178-L287 WeakPolarHBondContact CB-O 3.26Å; C179-L287 PolarHBondContact N-O 3.38Å; I254-L287 HydrophobicContact CG2-CD1 4.19Å; C285-L287 PolarHBondContact O-N 3.03Å; C285-L287 PolarHBondContact SG-N 2.9Å; L287-E291 HydrophobicContact CB-CB 4.08Å; L287-V292 HydrophobicContact CB-CG2 3.97Å; L287-L295 HydrophobicContact CD1-CD1 3.39Å
288S98.8Very high97.7Very high26 Ų2646.2 Ų46.218%0.18223%0.231CC..  trans-74.9159.5171.161.70000111.7C179 D180 H290 E291 V292C179-S288 PolarHBondContact SG-N 2.69Å; C179-S288 VanDerWaalsContact SG-N 3.41Å; D180-S288 WeakPolarHBondContact OD1-CA 3.44Å; S288-H290 PolarHBondContact O-N 3.27Å; S288-E291 WeakPolarHBondContact CB-OE2 3.4Å; S288-E291 PolarHBondContact N-OE2 2.68Å; S288-E291 PolarHBondContact O-N 2.75Å; S288-E291 WeakPolarHBondContact OG-CG 3.45Å; S288-E291 PolarHBondContact OG-N 2.73Å; S288-E291 PolarHBondContact OG-OE2 3.22Å; S288-V292 WeakPolarHBondContact O-CG2 3.03Å; S288-V292 PolarHBondContact O-N 3.01Å
289S98.5Very high96.9Very high19 Ų1947 Ų4713%0.13324%0.241CC..Hα-helixtrans-53.7-34.2172.564.50000113.6D180 R293 F311D180-S289 PolarHBondContact OD1-N 2.71Å; D180-S289 WeakPolarHBondContact OD2-CB 3.49Å; D180-S289 PolarHBondContact OD2-N 3.11Å; D180-S289 PolarHBondContact OD2-OG 3.15Å; S289-R293 WeakPolarHBondContact O-CB 3.49Å; S289-R293 PolarHBondContact O-N 2.49Å; S289-F311 VanDerWaalsContact O-CZ 3.23Å; S289-F311 WeakPolarHBondContact O-CZ 3.44Å
290H98.3Very high95.7Very high132 Ų13248 Ų4861%0.61125%0.252SS*.Hα-helixtrans-66-46.3174.7176.2-88.9000112.2S288 R293 A294S288-H290 PolarHBondContact O-N 3.27Å; H290-R293 PolarHBondContact O-N 3.29Å; H290-A294 PolarHBondContact O-N 2.71Å
291E98.5Very high94.3Very high89 Ų8952.1 Ų52.142%0.41629%0.286SS..Hα-helixtrans-66.4-42.4177.9-71165125.600111.8L287 S288 R293 A294 L295L287-E291 HydrophobicContact CB-CB 4.08Å; S288-E291 WeakPolarHBondContact CB-OE2 3.4Å; S288-E291 PolarHBondContact N-OE2 2.68Å; S288-E291 PolarHBondContact O-N 2.75Å; S288-E291 WeakPolarHBondContact OG-CG 3.45Å; S288-E291 PolarHBondContact OG-N 2.73Å; S288-E291 PolarHBondContact OG-OE2 3.22Å; E291-R293 PolarHBondContact O-N 2.84Å; E291-A294 PolarHBondContact O-N 3.11Å; E291-L295 WeakPolarHBondContact O-CG 3.38Å; E291-L295 PolarHBondContact O-N 3.09Å
292V98.3Very high93.4Very high0 Ų055.1 Ų55.10%030%0.299CS..Hα-helixtrans-58.6-47.9174.5171.30000110.7T178 V184 V252 I254 L287 S288 A294 L295 Y296 F311T178-V292 HydrophobicContact CG2-CG2 3.89Å; V184-V292 HydrophobicContact CG1-CG1 4.39Å; V184-V292 HydrophobicContact CG2-CG1 4.28Å; V252-V292 HydrophobicContact CG1-CG1 3.9Å; I254-V292 HydrophobicContact CD1-CB 4.42Å; I254-V292 HydrophobicContact CD1-CG1 3.81Å; I254-V292 HydrophobicContact CD1-CG2 3.81Å; I254-V292 HydrophobicContact CG1-CG1 4.32Å; I254-V292 HydrophobicContact CG1-CG2 4.34Å; L287-V292 HydrophobicContact CB-CG2 3.97Å; S288-V292 WeakPolarHBondContact O-CG2 3.03Å; S288-V292 PolarHBondContact O-N 3.01Å; V292-A294 VanDerWaalsContact C-N 3.29Å; V292-A294 PolarHBondContact O-N 3.37Å; V292-L295 PolarHBondContact O-N 2.99Å; V292-Y296 PolarHBondContact O-N 2.65Å; V292-F311 HydrophobicContact CB-CE1 4.1Å; V292-F311 HydrophobicContact CB-CZ 4.13Å; V292-F311 HydrophobicContact CG1-CE1 3.94Å; V292-F311 HydrophobicContact CG1-CZ 3.9Å
293R97.8Very high92.1Very high98 Ų9856 Ų5637%0.3731%0.312SS..Hα-helixtrans-58.6-42.2176.1-175.9179.8-69111.2-8.2111.8S289 H290 E291 L295 Y296 W297 V309 F311S289-R293 WeakPolarHBondContact O-CB 3.49Å; S289-R293 PolarHBondContact O-N 2.49Å; H290-R293 PolarHBondContact O-N 3.29Å; E291-R293 PolarHBondContact O-N 2.84Å; R293-L295 VanDerWaalsContact C-N 3.35Å; R293-Y296 PolarHBondContact O-N 3.33Å; R293-W297 PolarHBondContact O-N 3.03Å; R293-V309 HydrophobicContact CB-CG1 4.31Å; R293-V309 HydrophobicContact CG-CG1 4.04Å; R293-F311 HydrophobicContact CB-CE2 3.95Å; R293-F311 HydrophobicContact CB-CZ 4.03Å
294A97.4Very high91Very high43 Ų4360.7 Ų60.736%0.35535%0.345SS..Hα-helixtrans-66.1-36.417900000112.6H290 E291 V292 K298H290-A294 PolarHBondContact O-N 2.71Å; E291-A294 PolarHBondContact O-N 3.11Å; V292-A294 VanDerWaalsContact C-N 3.29Å; V292-A294 PolarHBondContact O-N 3.37Å; A294-K298 WeakPolarHBondContact O-CG 3.35Å; A294-K298 PolarHBondContact O-N 3.11Å
295L96.6Very high90.4Very high36 Ų3662.3 Ų62.319%0.18835%0.347CS..Hα-helixtrans-69.3-45.5175.1-73.5172.4000112N253 L287 E291 V292 R293 W297 K298N253-L295 HydrophobicContact CB-CB 4.49Å; N253-L295 WeakPolarHBondContact CB-O 3.36Å; N253-L295 PolarHBondContact ND2-O 3.25Å; L287-L295 HydrophobicContact CD1-CD1 3.39Å; E291-L295 WeakPolarHBondContact O-CG 3.38Å; E291-L295 PolarHBondContact O-N 3.09Å; V292-L295 PolarHBondContact O-N 2.99Å; R293-L295 VanDerWaalsContact C-N 3.35Å; L295-W297 VanDerWaalsContact C-N 3.3Å; L295-W297 PolarHBondContact O-N 3.3Å; L295-K298 HydrophobicContact CD2-CD 4.47Å; L295-K298 WeakPolarHBondContact O-CB 3.47Å; L295-K298 PolarHBondContact O-N 3.46Å
296Y95.5Very high90Very high12 Ų1262.2 Ų62.25%0.04735%0.347CS..Hα-helixtrans-51.9-49.5176177.1-92.9000111.5V252 V292 R293 K298 G299 S306 D308 V309V252-Y296 HydrophobicContact CG1-CD2 4.31Å; V292-Y296 PolarHBondContact O-N 2.65Å; R293-Y296 PolarHBondContact O-N 3.33Å; Y296-K298 VanDerWaalsContact C-N 3.29Å; Y296-K298 PolarHBondContact O-N 3.07Å; Y296-G299 WeakPolarHBondContact O-CA 3.41Å; Y296-G299 PolarHBondContact O-N 3.32Å; Y296-S306 VanDerWaalsContact CE2-OG 3.27Å; Y296-S306 WeakPolarHBondContact CE2-OG 3.27Å; Y296-S306 VanDerWaalsContact OH-C 3.25Å; Y296-S306 WeakPolarHBondContact OH-CB 3.5Å; Y296-S306 PolarHBondContact OH-O 3.05Å; Y296-S306 PolarHBondContact OH-OG 3.26Å; Y296-D308 PolarHBondContact OH-N 3.44Å; Y296-D308 VanDerWaalsContact OH-N 3.16Å; Y296-V309 HydrophobicContact CD1-CB 3.99Å; Y296-V309 HydrophobicContact CD1-CG1 3.6Å; Y296-V309 HydrophobicContact CD2-CB 4.04Å; Y296-V309 HydrophobicContact CD2-CG1 4.39Å; Y296-V309 HydrophobicContact CE1-CB 4.3Å; Y296-V309 HydrophobicContact CE1-CG1 4.24Å; Y296-V309 HydrophobicContact CE2-CB 4.34Å; Y296-V309 HydrophobicContact CG-CB 3.86Å; Y296-V309 HydrophobicContact CG-CG1 3.7Å
297W94.3Very high89.8Confident154 Ų15462.2 Ų62.258%0.58334%0.344SS*.Hα-helixtrans-74.3-13.5-179.5-70.7117.2000115.1R293 L295 G299 T307R293-W297 PolarHBondContact O-N 3.03Å; L295-W297 VanDerWaalsContact C-N 3.3Å; L295-W297 PolarHBondContact O-N 3.3Å; W297-G299 PolarHBondContact O-N 3.1Å; W297-T307 WeakPolarHBondContact CH2-O 3.26Å
298K92.8Very high89.6Confident163 Ų16364.1 Ų64.171%0.70935%0.354SS*.Hα-helixtrans-72-14.7165.7-73.3171.4-176.7177.90112A294 L295 Y296A294-K298 WeakPolarHBondContact O-CG 3.35Å; A294-K298 PolarHBondContact O-N 3.11Å; L295-K298 HydrophobicContact CD2-CD 4.47Å; L295-K298 WeakPolarHBondContact O-CB 3.47Å; L295-K298 PolarHBondContact O-N 3.46Å; Y296-K298 VanDerWaalsContact C-N 3.29Å; Y296-K298 PolarHBondContact O-N 3.07Å
299G81.3Confident89.5Confident27 Ų2763 Ų6328%0.27835%0.346SS..  trans87.5147.5-179.300000112.8N253 Y296 W297N253-G299 PolarHBondContact ND2-O 2.86Å; N253-G299 PolarHBondContact OD1-O 3.5Å; Y296-G299 WeakPolarHBondContact O-CA 3.41Å; Y296-G299 PolarHBondContact O-N 3.32Å; W297-G299 PolarHBondContact O-N 3.1Å
300G72.6Confident89.4Confident24 Ų2463.7 Ų63.725%0.24735%0.349CS..  trans-117.7-175.1168.200000111D250 E302 A303D250-G300 CarbonylContact O-C 3.51Å; D250-G300 WeakPolarHBondContact O-CA 3.34Å; G300-E302 PolarHBondContact O-N 3.48Å; G300-A303 PolarHBondContact O-N 3.08Å
301A70.6Confident89.4Confident86 Ų8658.6 Ų58.671%0.71133%0.325SS*.THydrogen-bonded Turntrans-60.3-29.117800000112.3D250D250-A301 HydrophobicContact CB-CB 4.14Å; D250-A301 PolarHBondContact O-N 3.48Å
302E78.2Confident89.4Confident64 Ų6455.3 Ų55.330%0.29931%0.311SS..THydrogen-bonded Turntrans-120.728-174.7-62.2-169.4157.600113.1D250 G300 S304 E305D250-E302 HydrophobicContact CB-CG 4.33Å; D250-E302 PolarHBondContact O-N 3.42Å; G300-E302 PolarHBondContact O-N 3.48Å; E302-S304 PolarHBondContact O-N 3.1Å; E302-E305 HydrophobicContact CB-CG 4.27Å; E302-E305 PolarHBondContact O-N 3.27Å
303A72.9Confident89.3Confident46 Ų4656.5 Ų56.538%0.3832%0.319SS..THydrogen-bonded Turntrans-60.42-177.400000116.5G300G300-A303 PolarHBondContact O-N 3.08Å
304S75.6Confident89.2Confident99 Ų9953.9 Ų53.969%0.69231%0.314SS*.THydrogen-bonded Turntrans-97-11.6174.353.80000114.6E302E302-S304 PolarHBondContact O-N 3.1Å
305E85.3Confident89.1Confident85 Ų8555.9 Ų55.940%0.39732%0.322SS..SBendtrans-77.8-34.4-177.4-61.1-147.7167.300112.7S189 E302S189-E305 WeakPolarHBondContact CB-O 3.44Å; S189-E305 PolarHBondContact N-O 3.27Å; E302-E305 HydrophobicContact CB-CG 4.27Å; E302-E305 PolarHBondContact O-N 3.27Å
306S90.7Very high89Confident4 Ų458.9 Ų58.93%0.02834%0.335CS..EExtended strand (participates in β ladder)trans-111.7154.3171.561.70000112R187 Y296R187-S306 CarbonylContact O-C 3.58Å; R187-S306 VanDerWaalsContact O-CA 3.29Å; R187-S306 WeakPolarHBondContact O-CA 3.39Å; R187-S306 WeakPolarHBondContact O-CB 3.33Å; Y296-S306 VanDerWaalsContact CE2-OG 3.27Å; Y296-S306 WeakPolarHBondContact CE2-OG 3.27Å; Y296-S306 VanDerWaalsContact OH-C 3.25Å; Y296-S306 WeakPolarHBondContact OH-CB 3.5Å; Y296-S306 PolarHBondContact OH-O 3.05Å; Y296-S306 PolarHBondContact OH-OG 3.26Å
307T93.1Very high89Confident76 Ų7658.3 Ų58.347%0.46633%0.333SS..EExtended strand (participates in β ladder)trans-111.2-12.2179.550.30000113.8R187 W297R187-T307 PolarHBondContact O-N 3.2Å; R187-T307 PolarHBondContact O-OG1 2.68Å; W297-T307 WeakPolarHBondContact CH2-O 3.26Å
308D94.6Very high89Confident64 Ų6454.5 Ų54.534%0.34232%0.322SS..EExtended strand (participates in β ladder)trans-159160.1179.1-160.310000111.2I186 R187 Y296I186-D308 CarbonylContact C-O 3.53Å; I186-D308 WeakPolarHBondContact CA-O 3.5Å; R187-D308 HydrophobicContact CB-CB 3.79Å; R187-D308 PolarHBondContact N-O 3.07Å; Y296-D308 PolarHBondContact OH-N 3.44Å; Y296-D308 VanDerWaalsContact OH-N 3.16Å
309V96.4Very high89.1Confident3 Ų352.8 Ų52.82%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-118.9123.1172.362.30000109.9V184 F185 R293 Y296 F311V184-V309 HydrophobicContact CG1-CG2 3.68Å; F185-V309 CarbonylContact O-C 3.55Å; F185-V309 WeakPolarHBondContact O-CA 3.46Å; F185-V309 WeakPolarHBondContact O-CG2 3.27Å; R293-V309 HydrophobicContact CB-CG1 4.31Å; R293-V309 HydrophobicContact CG-CG1 4.04Å; Y296-V309 HydrophobicContact CD1-CB 3.99Å; Y296-V309 HydrophobicContact CD1-CG1 3.6Å; Y296-V309 HydrophobicContact CD2-CB 4.04Å; Y296-V309 HydrophobicContact CD2-CG1 4.39Å; Y296-V309 HydrophobicContact CE1-CB 4.3Å; Y296-V309 HydrophobicContact CE1-CG1 4.24Å; Y296-V309 HydrophobicContact CE2-CB 4.34Å; Y296-V309 HydrophobicContact CG-CB 3.86Å; Y296-V309 HydrophobicContact CG-CG1 3.7Å; V309-F311 HydrophobicContact CB-CE2 4.44Å; V309-F311 HydrophobicContact CG1-CE2 4Å; V309-F311 HydrophobicContact CG1-CZ 4.33Å; V309-F311 HydrophobicContact CG2-CE1 4.43Å; V309-F311 HydrophobicContact CG2-CE2 3.84Å; V309-F311 HydrophobicContact CG2-CZ 3.71Å
310V97.2Very high89.6Confident32 Ų3251.7 Ų51.719%0.19430%0.304CS..EExtended strand (participates in β ladder)trans-116.4146.6-173.7-177.20000109.2F185 L199F185-V310 HydrophobicContact CB-CB 4.18Å; F185-V310 PolarHBondContact N-O 2.97Å; F185-V310 PolarHBondContact O-N 3.01Å; L199-V310 HydrophobicContact CD2-CB 4.21Å; L199-V310 HydrophobicContact CD2-CG2 3.95Å
311F98.1Very high90.5Very high25 Ų2554.2 Ų54.211%0.1131%0.312CS..EExtended strand (participates in β ladder)trans-127.9132.4-176.9-60.5-93.9000109.2T178 Q182 V183 V184 S289 V292 R293 V309T178-F311 HydrophobicContact CG2-CE1 4.43Å; Q182-F311 HydrophobicContact CB-CB 4.08Å; Q182-F311 HydrophobicContact CB-CD1 4.04Å; Q182-F311 HydrophobicContact CG-CB 4.42Å; V183-F311 WeakPolarHBondContact O-CA 3.49Å; V184-F311 HydrophobicContact CG1-CE1 4.39Å; V184-F311 HydrophobicContact CG2-CD1 4.18Å; V184-F311 HydrophobicContact CG2-CE1 3.87Å; S289-F311 VanDerWaalsContact O-CZ 3.23Å; S289-F311 WeakPolarHBondContact O-CZ 3.44Å; V292-F311 HydrophobicContact CB-CE1 4.1Å; V292-F311 HydrophobicContact CB-CZ 4.13Å; V292-F311 HydrophobicContact CG1-CE1 3.94Å; V292-F311 HydrophobicContact CG1-CZ 3.9Å; R293-F311 HydrophobicContact CB-CE2 3.95Å; R293-F311 HydrophobicContact CB-CZ 4.03Å; V309-F311 HydrophobicContact CB-CE2 4.44Å; V309-F311 HydrophobicContact CG1-CE2 4Å; V309-F311 HydrophobicContact CG1-CZ 4.33Å; V309-F311 HydrophobicContact CG2-CE1 4.43Å; V309-F311 HydrophobicContact CG2-CE2 3.84Å; V309-F311 HydrophobicContact CG2-CZ 3.71Å
312L97.9Very high91.4Very high20 Ų2055.4 Ų55.411%0.10530%0.298CS..EExtended strand (participates in β ladder)trans-122.1141.1170.2-57.5176.8000108.5Q182 V183 F185 E316 V317 L320 L326Q182-L312 CarbonylContact C-O 3.57Å; Q182-L312 WeakPolarHBondContact CA-O 3.3Å; V183-L312 PolarHBondContact N-O 3.03Å; V183-L312 PolarHBondContact O-N 3.48Å; V183-L312 VanDerWaalsContact O-N 3.15Å; F185-L312 HydrophobicContact CD2-CB 4.46Å; F185-L312 HydrophobicContact CD2-CD1 4.03Å; F185-L312 HydrophobicContact CD2-CG 4Å; F185-L312 HydrophobicContact CE2-CB 3.96Å; F185-L312 HydrophobicContact CE2-CD1 3.45Å; F185-L312 VanDerWaalsContact CE2-CD1 3.45Å; F185-L312 HydrophobicContact CE2-CG 3.75Å; F185-L312 HydrophobicContact CZ-CD1 3.89Å; L312-E316 HydrophobicContact CB-CB 4.4Å; L312-V317 HydrophobicContact CB-CG2 3.86Å; L312-V317 HydrophobicContact CD1-CG2 4.25Å; L312-L320 HydrophobicContact CD1-CD1 3.86Å; L312-L326 HydrophobicContact CD1-CD2 3.38Å; L312-L326 HydrophobicContact CD2-CD2 3.89Å; L312-L326 HydrophobicContact CG-CD2 4.23Å
313S97.4Very high91.9Very high25 Ų2557.6 Ų57.618%0.17532%0.321CS..EExtended strand (participates in β ladder)trans-63.1151.7173.265.50000110.7T315 E316 V317S313-T315 PolarHBondContact O-N 3.15Å; S313-E316 VanDerWaalsContact CB-OE2 3.3Å; S313-E316 WeakPolarHBondContact CB-OE2 3.47Å; S313-E316 PolarHBondContact N-OE2 3.49Å; S313-E316 PolarHBondContact O-N 3Å; S313-E316 VanDerWaalsContact OG-CG 3.27Å; S313-E316 WeakPolarHBondContact OG-CG 3.42Å; S313-E316 PolarHBondContact OG-N 3.42Å; S313-E316 PolarHBondContact OG-OE2 3.29Å; S313-V317 PolarHBondContact O-N 2.89Å
314T95.4Very high92.8Very high43 Ų4358.2 Ų58.226%0.26432%0.318SS..Hα-helixtrans-55-34.9173.553.50000111.9G181 V183 V317 M318 Y341G181-T314 PolarHBondContact O-N 3.44Å; V183-T314 HydrophobicContact CG2-CG2 4.26Å; T314-V317 PolarHBondContact O-N 2.75Å; T314-M318 VanDerWaalsContact O-CG 3.23Å; T314-M318 WeakPolarHBondContact O-CG 3.34Å; T314-M318 PolarHBondContact O-N 3.47Å; T314-Y341 WeakPolarHBondContact CG2-OH 3.49Å
315T94.5Very high93.5Very high86 Ų8658.2 Ų58.253%0.52832%0.315SS..Hα-helixtrans-62.2-44.9174.8-54.20000112.6S313 M318 Q319S313-T315 PolarHBondContact O-N 3.15Å; T315-M318 PolarHBondContact O-N 2.93Å; T315-Q319 WeakPolarHBondContact O-CG 3.34Å; T315-Q319 PolarHBondContact O-N 2.94Å
316E95.5Very high93.9Very high98 Ų9855.8 Ų55.846%0.45831%0.305SS..Hα-helixtrans-63.4-44.3175.9-74.5163.7118.500110.8L312 S313 M318 Q319 L320L312-E316 HydrophobicContact CB-CB 4.4Å; S313-E316 VanDerWaalsContact CB-OE2 3.3Å; S313-E316 WeakPolarHBondContact CB-OE2 3.47Å; S313-E316 PolarHBondContact N-OE2 3.49Å; S313-E316 PolarHBondContact O-N 3Å; S313-E316 VanDerWaalsContact OG-CG 3.27Å; S313-E316 WeakPolarHBondContact OG-CG 3.42Å; S313-E316 PolarHBondContact OG-N 3.42Å; S313-E316 PolarHBondContact OG-OE2 3.29Å; E316-M318 VanDerWaalsContact C-N 3.31Å; E316-M318 PolarHBondContact O-N 3.03Å; E316-Q319 CarbonylContact O-C 3.6Å; E316-Q319 WeakPolarHBondContact O-CA 3.46Å; E316-Q319 PolarHBondContact O-N 3.28Å; E316-L320 PolarHBondContact O-N 3.38Å
317V95.4Very high94.1Very high0 Ų056.1 Ų56.10%031%0.306CS..Hα-helixtrans-60.1-40.5177.3167.90000111.9V183 F185 L312 S313 T314 Q319 L320 M338 Y341 Q342V183-V317 HydrophobicContact CB-CG2 3.92Å; V183-V317 HydrophobicContact CG1-CG2 4.41Å; V183-V317 HydrophobicContact CG2-CB 4.29Å; V183-V317 HydrophobicContact CG2-CG1 4.48Å; V183-V317 HydrophobicContact CG2-CG2 3.77Å; F185-V317 HydrophobicContact CE2-CG2 4.1Å; F185-V317 HydrophobicContact CZ-CG2 4.2Å; L312-V317 HydrophobicContact CB-CG2 3.86Å; L312-V317 HydrophobicContact CD1-CG2 4.25Å; S313-V317 PolarHBondContact O-N 2.89Å; T314-V317 PolarHBondContact O-N 2.75Å; V317-Q319 PolarHBondContact O-N 3.46Å; V317-Q319 VanDerWaalsContact O-N 3.16Å; V317-L320 HydrophobicContact CB-CD1 4.47Å; V317-L320 HydrophobicContact CG2-CD1 4.15Å; V317-L320 WeakPolarHBondContact O-CB 3.42Å; V317-L320 PolarHBondContact O-N 3.24Å; V317-M338 HydrophobicContact CB-SD 4.4Å; V317-M338 HydrophobicContact CG1-SD 3.41Å; V317-M338 WeakPolarHBondContact CG1-SD 3.3Å; V317-M338 HydrophobicContact CG2-SD 4.19Å; V317-Y341 HydrophobicContact CG1-CD1 3.57Å; V317-Y341 HydrophobicContact CG1-CE1 3.85Å; V317-Q342 PolarHBondContact O-NE2 2.96Å
318M94.4Very high94.2Very high74 Ų7456.9 Ų56.937%0.36531%0.314SS..Hα-helixtrans-65.1-17176.1-71-55.6-64.700113.7T314 T315 E316 Y341 Q342 K345T314-M318 VanDerWaalsContact O-CG 3.23Å; T314-M318 WeakPolarHBondContact O-CG 3.34Å; T314-M318 PolarHBondContact O-N 3.47Å; T315-M318 PolarHBondContact O-N 2.93Å; E316-M318 VanDerWaalsContact C-N 3.31Å; E316-M318 PolarHBondContact O-N 3.03Å; M318-Y341 HydrophobicContact SD-CD1 4.23Å; M318-Y341 HydrophobicContact SD-CE1 4.14Å; M318-Q342 HydrophobicContact CE-CB 4.49Å; M318-Q342 HydrophobicContact SD-CG 4.19Å; M318-K345 HydrophobicContact CE-CD 4.29Å; M318-K345 VanDerWaalsContact CE-CE 3.5Å; M318-K345 HydrophobicContact CE-CG 4.17Å
319Q93.1Very high94.2Very high128 Ų12857.4 Ų57.460%0.59831%0.314SS*.Hα-helixtrans-104.6-8.2178.3-63.5175.914.300112.8T315 E316 V317 N321T315-Q319 WeakPolarHBondContact O-CG 3.34Å; T315-Q319 PolarHBondContact O-N 2.94Å; E316-Q319 CarbonylContact O-C 3.6Å; E316-Q319 WeakPolarHBondContact O-CA 3.46Å; E316-Q319 PolarHBondContact O-N 3.28Å; V317-Q319 PolarHBondContact O-N 3.46Å; V317-Q319 VanDerWaalsContact O-N 3.16Å; Q319-N321 PolarHBondContact O-N 2.78Å; Q319-N321 PolarHBondContact O-ND2 2.97Å
320L93.4Very high94.2Very high3 Ų357.3 Ų57.32%0.01631%0.314CS..  trans-59.3125.9177.9-79.9176000110.8L312 E316 V317 N324 L326 W327 M330 M338 Q342L312-L320 HydrophobicContact CD1-CD1 3.86Å; E316-L320 PolarHBondContact O-N 3.38Å; V317-L320 HydrophobicContact CB-CD1 4.47Å; V317-L320 HydrophobicContact CG2-CD1 4.15Å; V317-L320 WeakPolarHBondContact O-CB 3.42Å; V317-L320 PolarHBondContact O-N 3.24Å; L320-N324 HydrophobicContact CD2-CB 4.24Å; L320-L326 HydrophobicContact CD2-CB 4.3Å; L320-L326 HydrophobicContact CD2-CD2 4.19Å; L320-W327 HydrophobicContact CB-CE3 4.17Å; L320-W327 HydrophobicContact CB-CZ3 4.24Å; L320-M330 HydrophobicContact CD1-SD 4.36Å; L320-M338 HydrophobicContact CD1-CG 4.28Å; L320-M338 HydrophobicContact CD1-SD 4.32Å; L320-Q342 PolarHBondContact O-NE2 2.78Å
321N90.6Very high94.1Very high77 Ų7755.9 Ų55.941%0.41231%0.305SS..  trans-156.3175.4175.26575.8000108.8Q319 S323 N324 W327Q319-N321 PolarHBondContact O-N 2.78Å; Q319-N321 PolarHBondContact O-ND2 2.97Å; N321-S323 PolarHBondContact O-N 3.4Å; N321-S323 WeakPolarHBondContact OD1-CB 3.37Å; N321-S323 PolarHBondContact OD1-N 3.46Å; N321-S323 PolarHBondContact OD1-OG 2.99Å; N321-N324 VanDerWaalsContact O-CB 3.3Å; N321-N324 WeakPolarHBondContact O-CB 3.2Å; N321-N324 PolarHBondContact O-N 3.48Å; N321-W327 VanDerWaalsContact O-CB 3.3Å; N321-W327 WeakPolarHBondContact O-CB 3.29Å
322R89Confident94Very high111 Ų11155 Ų5542%0.41930%0.302SS..THydrogen-bonded Turntrans-54.9-22.6-177.2-65.6-177.768.6-173.53.9115.6M1 M2 D3 N324M1-R322 WeakPolarHBondContact O-CD 3.44Å; M1-R322 PolarHBondContact O-NH1 2.99Å; M2-R322 VanDerWaalsContact C-NH1 3.33Å; M2-R322 PolarHBondContact O-NH1 3.13Å; D3-R322 HydrophobicContact CB-CG 4.37Å; R322-N324 VanDerWaalsContact C-N 3.32Å
323S88.8Confident93.7Very high111 Ų11155.3 Ų55.378%0.77631%0.306SS*.THydrogen-bonded Turntrans-80-15.6177.5-50.90000112.7N321N321-S323 PolarHBondContact O-N 3.4Å; N321-S323 WeakPolarHBondContact OD1-CB 3.37Å; N321-S323 PolarHBondContact OD1-N 3.46Å; N321-S323 PolarHBondContact OD1-OG 2.99Å
324N91.7Very high93.6Very high59 Ų5954.1 Ų54.132%0.31630%0.297SS..SBendtrans-78.5128.6175.1-170.2-47.6000109.4L320 N321 R322 L326 W327L320-N324 HydrophobicContact CD2-CB 4.24Å; N321-N324 VanDerWaalsContact O-CB 3.3Å; N321-N324 WeakPolarHBondContact O-CB 3.2Å; N321-N324 PolarHBondContact O-N 3.48Å; R322-N324 VanDerWaalsContact C-N 3.32Å; N324-L326 PolarHBondContact O-N 3.47Å; N324-L326 VanDerWaalsContact O-N 3.15Å; N324-L326 VanDerWaalsContact OD1-CB 3.23Å; N324-L326 WeakPolarHBondContact OD1-CB 2.96Å; N324-L326 PolarHBondContact OD1-N 3.29Å; N324-W327 VanDerWaalsContact O-CB 3.22Å; N324-W327 WeakPolarHBondContact O-CB 3.46Å; N324-W327 PolarHBondContact O-N 3.31Å
325P91.8Very high93.7Very high98 Ų9852.4 Ų52.464%0.63629%0.286SS*.Hα-helixtrans-51.6-38.1177.1-28.235.6000113.5W327 S328P325-W327 PolarHBondContact O-N 3.24Å; P325-S328 PolarHBondContact O-N 3.02Å; P325-S328 VanDerWaalsContact O-N 3.11Å; P325-S328 PolarHBondContact O-OG 3.03Å
326L93.4Very high93.9Very high35 Ų3548.3 Ų48.318%0.18326%0.261CS..Hα-helixtrans-60-30.6-179.8-160.767.9000112.5L199 L312 L320 N324 S328 E329 M330L199-L326 HydrophobicContact CD1-CD1 3.37Å; L199-L326 HydrophobicContact CD1-CD2 4.29Å; L199-L326 HydrophobicContact CD1-CG 3.81Å; L312-L326 HydrophobicContact CD1-CD2 3.38Å; L312-L326 HydrophobicContact CD2-CD2 3.89Å; L312-L326 HydrophobicContact CG-CD2 4.23Å; L320-L326 HydrophobicContact CD2-CB 4.3Å; L320-L326 HydrophobicContact CD2-CD2 4.19Å; N324-L326 PolarHBondContact O-N 3.47Å; N324-L326 VanDerWaalsContact O-N 3.15Å; N324-L326 VanDerWaalsContact OD1-CB 3.23Å; N324-L326 WeakPolarHBondContact OD1-CB 2.96Å; N324-L326 PolarHBondContact OD1-N 3.29Å; L326-S328 PolarHBondContact O-N 2.92Å; L326-E329 WeakPolarHBondContact O-CA 3.37Å; L326-E329 WeakPolarHBondContact O-CB 3.34Å; L326-E329 PolarHBondContact O-N 3.5Å; L326-M330 WeakPolarHBondContact O-CG 3.45Å; L326-M330 PolarHBondContact O-N 3.07Å
327W95.4Very high94Very high10 Ų1043.7 Ų43.74%0.03824%0.24CC..Hα-helixtrans-60.7-34.5179.2-169.4-89000112.4D3 L320 N321 N324 P325 E329 M330 K335 M338 L339D3-W327 PolarHBondContact OD2-NE1 2.81Å; L320-W327 HydrophobicContact CB-CE3 4.17Å; L320-W327 HydrophobicContact CB-CZ3 4.24Å; N321-W327 VanDerWaalsContact O-CB 3.3Å; N321-W327 WeakPolarHBondContact O-CB 3.29Å; N324-W327 VanDerWaalsContact O-CB 3.22Å; N324-W327 WeakPolarHBondContact O-CB 3.46Å; N324-W327 PolarHBondContact O-N 3.31Å; P325-W327 PolarHBondContact O-N 3.24Å; W327-E329 VanDerWaalsContact C-N 3.25Å; W327-E329 PolarHBondContact O-N 3.24Å; W327-M330 HydrophobicContact CE3-SD 4.33Å; W327-M330 PolarHBondContact O-N 3.24Å; W327-K335 HydrophobicContact CD2-CG 4.29Å; W327-K335 HydrophobicContact CH2-CB 3.96Å; W327-K335 HydrophobicContact CH2-CG 4.22Å; W327-K335 HydrophobicContact CZ2-CB 3.68Å; W327-K335 HydrophobicContact CZ2-CD 4.1Å; W327-K335 HydrophobicContact CZ2-CG 3.74Å; W327-K335 WeakPolarHBondContact O-CE 3.42Å; W327-M338 HydrophobicContact CH2-CB 4.46Å; W327-M338 HydrophobicContact CZ3-CB 4.13Å; W327-L339 HydrophobicContact CH2-CD2 3.97Å; W327-L339 HydrophobicContact CH2-CG 3.98Å; W327-L339 HydrophobicContact CZ2-CD2 4.45Å; W327-L339 HydrophobicContact CZ2-CG 4.47Å
328S93.4Very high94.1Very high92 Ų9243.7 Ų43.764%0.64324%0.24SC*.Hα-helixtrans-74.1-16.8176.267.10000113.6P325 L326P325-S328 PolarHBondContact O-N 3.02Å; P325-S328 VanDerWaalsContact O-N 3.11Å; P325-S328 PolarHBondContact O-OG 3.03Å; L326-S328 PolarHBondContact O-N 2.92Å
329E95.1Very high94.2Very high75 Ų7542.4 Ų42.435%0.3523%0.234SC..THydrogen-bonded Turntrans-90.2-5.2174.5-64.4-173.7-149.300112.8R187 L198 L199 L326 W327R187-E329 IonicContact CZ-OE2 2.68Å; R187-E329 IonicContact NH1-OE2 3.05Å; R187-E329 PolarHBondContact NH1-OE2 3.48Å; R187-E329 IonicContact NH2-OE2 3.91Å; R187-E329 PolarHBondContact NH2-OE2 3.31Å; R187-E329 VanDerWaalsContact NH2-OE2 3.15Å; L198-E329 CarbonylContact C-O 3.35Å; L198-E329 VanDerWaalsContact CA-O 3.31Å; L198-E329 WeakPolarHBondContact CA-O 3.38Å; L198-E329 WeakPolarHBondContact CB-O 2.96Å; L199-E329 PolarHBondContact N-O 2.94Å; L326-E329 WeakPolarHBondContact O-CA 3.37Å; L326-E329 WeakPolarHBondContact O-CB 3.34Å; L326-E329 PolarHBondContact O-N 3.5Å; W327-E329 VanDerWaalsContact C-N 3.25Å; W327-E329 PolarHBondContact O-N 3.24Å
330M96.3Very high94.5Very high2 Ų236.3 Ų36.31%0.0121%0.205CC..BIsolated β-bridgetrans-90141.1-179.1-65.4178.673.700111.6F185 L199 L320 L326 W327 A334 K335 M338F185-M330 HydrophobicContact CD1-CE 4.3Å; F185-M330 HydrophobicContact CE1-CE 3.52Å; F185-M330 HydrophobicContact CZ-CE 4.33Å; L199-M330 HydrophobicContact CB-CG 4.12Å; L199-M330 WeakPolarHBondContact O-CA 3.39Å; L320-M330 HydrophobicContact CD1-SD 4.36Å; L326-M330 WeakPolarHBondContact O-CG 3.45Å; L326-M330 PolarHBondContact O-N 3.07Å; W327-M330 HydrophobicContact CE3-SD 4.33Å; W327-M330 PolarHBondContact O-N 3.24Å; M330-A334 HydrophobicContact CE-CB 3.57Å; M330-K335 HydrophobicContact CB-CG 3.85Å; M330-K335 VanDerWaalsContact O-CE 3.26Å; M330-K335 WeakPolarHBondContact O-CE 3.37Å; M330-M338 HydrophobicContact CE-CG 3.55Å
331C95.4Very high94.7Very high1 Ų137.1 Ų37.11%0.00721%0.209CC..  trans-69.5160.6167.966.30000111.5A195 L198 L199 D200 S333 A334 K335A195-C331 HydrophobicContact CB-CB 3.92Å; L198-C331 HydrophobicContact CB-CB 4.3Å; L198-C331 HydrophobicContact CD1-CB 4.3Å; L199-C331 PolarHBondContact O-N 3.44Å; L199-C331 PolarHBondContact O-SG 3.01Å; D200-C331 PolarHBondContact OD1-SG 3.44Å; C331-S333 VanDerWaalsContact C-N 3.34Å; C331-S333 PolarHBondContact O-N 2.92Å; C331-S333 PolarHBondContact SG-OG 3.3Å; C331-A334 PolarHBondContact O-N 3.16Å; C331-A334 VanDerWaalsContact SG-CB 3.6Å; C331-K335 WeakPolarHBondContact O-CG 3.29Å; C331-K335 PolarHBondContact O-N 3.12Å
332P95.1Very high95Very high7 Ų735.4 Ų35.45%0.04520%0.198CC..Hα-helixtrans-60.3-34.7-179-27.336.9000115.1E5 N270 T272 K335 G336E5-P332 HydrophobicContact CB-CG 4.2Å; N270-P332 HydrophobicContact CB-CB 4.08Å; N270-P332 WeakPolarHBondContact OD1-CB 3.5Å; N270-P332 WeakPolarHBondContact OD1-CG 3.4Å; T272-P332 HydrophobicContact CG2-CG 3.83Å; P332-K335 PolarHBondContact O-N 3.32Å; P332-G336 PolarHBondContact O-N 2.97Å
333S92Very high95.3Very high26 Ų2633.8 Ų33.818%0.18220%0.2CC..Hα-helixtrans-60.3-53.2175.3370000111.1D200 C331 K335 G336 A337D200-S333 PolarHBondContact OD1-OG 2.68Å; D200-S333 VanDerWaalsContact OD1-OG 3.12Å; C331-S333 VanDerWaalsContact C-N 3.34Å; C331-S333 PolarHBondContact O-N 2.92Å; C331-S333 PolarHBondContact SG-OG 3.3Å; S333-K335 VanDerWaalsContact C-N 3.32Å; S333-K335 PolarHBondContact O-N 3.06Å; S333-G336 WeakPolarHBondContact O-CA 3.48Å; S333-G336 PolarHBondContact O-N 3.49Å; S333-A337 PolarHBondContact O-N 3.46Å
334A96.9Very high95.7Very high0 Ų028.8 Ų28.80%017%0.165CC..Hα-helixtrans-61.4-39.1177.900000112.8I201 M330 C331 G336 A337 M338I201-A334 HydrophobicContact CG1-CB 4.22Å; I201-A334 HydrophobicContact CG2-CB 4.2Å; M330-A334 HydrophobicContact CE-CB 3.57Å; C331-A334 PolarHBondContact O-N 3.16Å; C331-A334 VanDerWaalsContact SG-CB 3.6Å; A334-G336 VanDerWaalsContact C-N 3.31Å; A334-G336 PolarHBondContact O-N 3.21Å; A334-A337 PolarHBondContact O-N 2.99Å; A334-M338 VanDerWaalsContact O-CG 3.3Å; A334-M338 WeakPolarHBondContact O-CG 3.41Å; A334-M338 PolarHBondContact O-N 3.4Å
335K97.5Very high95.7Very high8 Ų832.4 Ų32.44%0.03518%0.178CC..Hα-helixtrans-58.4-44.8172.5-68.4174.2178.9178.80111.3D3 E5 V6 W327 M330 C331 P332 S333 M338 L339D3-K335 IonicContact OD2-NZ 3.45Å; D3-K335 PolarHBondContact OD2-NZ 2.88Å; E5-K335 IonicContact OE2-NZ 3.15Å; E5-K335 PolarHBondContact OE2-NZ 3.34Å; V6-K335 HydrophobicContact CB-CB 4.47Å; V6-K335 HydrophobicContact CG1-CB 3.87Å; V6-K335 HydrophobicContact CG1-CD 4.3Å; W327-K335 HydrophobicContact CD2-CG 4.29Å; W327-K335 HydrophobicContact CH2-CB 3.96Å; W327-K335 HydrophobicContact CH2-CG 4.22Å; W327-K335 HydrophobicContact CZ2-CB 3.68Å; W327-K335 HydrophobicContact CZ2-CD 4.1Å; W327-K335 HydrophobicContact CZ2-CG 3.74Å; W327-K335 WeakPolarHBondContact O-CE 3.42Å; M330-K335 HydrophobicContact CB-CG 3.85Å; M330-K335 VanDerWaalsContact O-CE 3.26Å; M330-K335 WeakPolarHBondContact O-CE 3.37Å; C331-K335 WeakPolarHBondContact O-CG 3.29Å; C331-K335 PolarHBondContact O-N 3.12Å; P332-K335 PolarHBondContact O-N 3.32Å; S333-K335 VanDerWaalsContact C-N 3.32Å; S333-K335 PolarHBondContact O-N 3.06Å; K335-M338 PolarHBondContact O-N 3.17Å; K335-L339 WeakPolarHBondContact O-CG 3.36Å; K335-L339 PolarHBondContact O-N 2.88Å
336G97.6Very high95.3Very high0 Ų028.4 Ų28.40%015%0.152CC..Hα-helixtrans-60.1-45.7177.800000112.6P332 S333 A334 M338 L339 L340P332-G336 PolarHBondContact O-N 2.97Å; S333-G336 WeakPolarHBondContact O-CA 3.48Å; S333-G336 PolarHBondContact O-N 3.49Å; A334-G336 VanDerWaalsContact C-N 3.31Å; A334-G336 PolarHBondContact O-N 3.21Å; G336-M338 PolarHBondContact O-N 3.01Å; G336-L339 PolarHBondContact O-N 3.46Å; G336-L340 PolarHBondContact O-N 2.96Å
337A97.9Very high93.8Very high0 Ų032.6 Ų32.60%020%0.204CC..Hα-helixtrans-63.2-40.1175.800000112.8V175 I201 E280 S333 A334 L340 Y341V175-A337 HydrophobicContact CG2-CB 3.83Å; I201-A337 HydrophobicContact CD1-CB 3.34Å; I201-A337 HydrophobicContact CG1-CB 4.43Å; E280-A337 HydrophobicContact CB-CB 4.21Å; E280-A337 HydrophobicContact CG-CB 4.05Å; S333-A337 PolarHBondContact O-N 3.46Å; A334-A337 PolarHBondContact O-N 2.99Å; A337-L340 PolarHBondContact O-N 3.11Å; A337-Y341 WeakPolarHBondContact O-CB 3.35Å; A337-Y341 PolarHBondContact O-N 2.65Å
338M97.5Very high93.8Very high0 Ų033.8 Ų33.80%021%0.212CC..Hα-helixtrans-64.6-43.3175.6-68.9-51.598.800112.2V175 V183 F185 I201 V317 L320 W327 M330 A334 K335 G336 L340 Y341 Q342V175-M338 HydrophobicContact CB-CE 4.43Å; V175-M338 HydrophobicContact CG1-CE 4.18Å; V175-M338 HydrophobicContact CG2-CE 3.49Å; V175-M338 VanDerWaalsContact CG2-CE 3.49Å; V183-M338 HydrophobicContact CG1-CE 4.4Å; F185-M338 HydrophobicContact CE1-CE 4Å; F185-M338 HydrophobicContact CE1-CG 4.47Å; F185-M338 HydrophobicContact CE1-SD 4.03Å; F185-M338 HydrophobicContact CZ-CE 3.88Å; F185-M338 HydrophobicContact CZ-CG 4.43Å; F185-M338 HydrophobicContact CZ-SD 3.55Å; F185-M338 VanDerWaalsContact CZ-SD 3.55Å; I201-M338 HydrophobicContact CG2-CE 4.08Å; V317-M338 HydrophobicContact CB-SD 4.4Å; V317-M338 HydrophobicContact CG1-SD 3.41Å; V317-M338 WeakPolarHBondContact CG1-SD 3.3Å; V317-M338 HydrophobicContact CG2-SD 4.19Å; L320-M338 HydrophobicContact CD1-CG 4.28Å; L320-M338 HydrophobicContact CD1-SD 4.32Å; W327-M338 HydrophobicContact CH2-CB 4.46Å; W327-M338 HydrophobicContact CZ3-CB 4.13Å; M330-M338 HydrophobicContact CE-CG 3.55Å; A334-M338 VanDerWaalsContact O-CG 3.3Å; A334-M338 WeakPolarHBondContact O-CG 3.41Å; A334-M338 PolarHBondContact O-N 3.4Å; K335-M338 PolarHBondContact O-N 3.17Å; G336-M338 PolarHBondContact O-N 3.01Å; M338-L340 VanDerWaalsContact C-N 3.31Å; M338-L340 PolarHBondContact O-N 2.83Å; M338-Y341 PolarHBondContact O-N 2.92Å; M338-Q342 WeakPolarHBondContact O-CB 3.47Å; M338-Q342 VanDerWaalsContact O-CG 3.23Å; M338-Q342 WeakPolarHBondContact O-CG 3.47Å; M338-Q342 PolarHBondContact O-N 2.66Å
339L97.1Very high93.8Very high47 Ų4730.7 Ų30.725%0.24619%0.19CC..Hα-helixtrans-59.2-44.6175.3-69173.7000110.9V6 L8 W327 K335 G336 Q342 V343V6-L339 HydrophobicContact CG1-CD1 4.05Å; L8-L339 HydrophobicContact CD1-CB 4.23Å; L8-L339 HydrophobicContact CD2-CB 4.01Å; L8-L339 HydrophobicContact CD2-CD1 4.44Å; L8-L339 HydrophobicContact CG-CB 4.4Å; W327-L339 HydrophobicContact CH2-CD2 3.97Å; W327-L339 HydrophobicContact CH2-CG 3.98Å; W327-L339 HydrophobicContact CZ2-CD2 4.45Å; W327-L339 HydrophobicContact CZ2-CG 4.47Å; K335-L339 WeakPolarHBondContact O-CG 3.36Å; K335-L339 PolarHBondContact O-N 2.88Å; G336-L339 PolarHBondContact O-N 3.46Å; L339-Q342 PolarHBondContact O-N 3.35Å; L339-V343 VanDerWaalsContact O-CG2 3.27Å; L339-V343 WeakPolarHBondContact O-CG2 3.39Å; L339-V343 PolarHBondContact O-N 2.65Å; L339-V343 VanDerWaalsContact O-N 3.17Å
340L98.1Very high93.7Very high0 Ų028.2 Ų28.20%018%0.181CC..Hα-helixtrans-64.7-44176.9-76.5168.3000112.1L8 L10 D11 M265 A268 E280 G336 A337 M338 Q342 V343 V344L8-L340 HydrophobicContact CD1-CD2 3.91Å; L8-L340 HydrophobicContact CD1-CG 4.27Å; L8-L340 HydrophobicContact CD2-CD1 4.21Å; L8-L340 HydrophobicContact CD2-CD2 4.03Å; L8-L340 HydrophobicContact CD2-CG 3.68Å; L8-L340 HydrophobicContact CG-CD2 4.45Å; L10-L340 WeakPolarHBondContact O-CD2 3.44Å; D11-L340 HydrophobicContact CB-CD2 3.77Å; M265-L340 HydrophobicContact CB-CB 3.99Å; M265-L340 HydrophobicContact CE-CB 4.3Å; A268-L340 HydrophobicContact CB-CD1 4.43Å; E280-L340 HydrophobicContact CB-CD1 3.61Å; E280-L340 HydrophobicContact CG-CD1 3.68Å; G336-L340 PolarHBondContact O-N 2.96Å; A337-L340 PolarHBondContact O-N 3.11Å; M338-L340 VanDerWaalsContact C-N 3.31Å; M338-L340 PolarHBondContact O-N 2.83Å; L340-Q342 VanDerWaalsContact C-N 3.32Å; L340-Q342 PolarHBondContact O-N 3.13Å; L340-V343 PolarHBondContact O-N 3.02Å; L340-V344 VanDerWaalsContact O-CB 3.25Å; L340-V344 WeakPolarHBondContact O-CB 3.36Å; L340-V344 VanDerWaalsContact O-CG2 3.25Å; L340-V344 WeakPolarHBondContact O-CG2 3.4Å; L340-V344 PolarHBondContact O-N 3.08Å
341Y97.9Very high93.6Very high21 Ų2129.8 Ų29.88%0.08219%0.191CC..Hα-helixtrans-60.5-41.6178.1-176.8-104.5000112.6V175 M265 Y282 T314 V317 M318 A337 M338 V343 K345 P346V175-Y341 HydrophobicContact CB-CD2 4.2Å; V175-Y341 HydrophobicContact CG1-CD1 4.46Å; V175-Y341 HydrophobicContact CG1-CD2 3.61Å; V175-Y341 HydrophobicContact CG1-CE2 3.93Å; V175-Y341 HydrophobicContact CG1-CG 3.89Å; M265-Y341 HydrophobicContact SD-CD2 4.04Å; Y282-Y341 HydrophobicContact CD2-CD2 4.27Å; Y282-Y341 AromaticContact CD2-CE2 3.81Å; Y282-Y341 HydrophobicContact CD2-CE2 3.81Å; Y282-Y341 HydrophobicContact CE2-CE2 4.08Å; T314-Y341 WeakPolarHBondContact CG2-OH 3.49Å; V317-Y341 HydrophobicContact CG1-CD1 3.57Å; V317-Y341 HydrophobicContact CG1-CE1 3.85Å; M318-Y341 HydrophobicContact SD-CD1 4.23Å; M318-Y341 HydrophobicContact SD-CE1 4.14Å; A337-Y341 WeakPolarHBondContact O-CB 3.35Å; A337-Y341 PolarHBondContact O-N 2.65Å; M338-Y341 PolarHBondContact O-N 2.92Å; Y341-V343 VanDerWaalsContact C-N 3.34Å; Y341-V343 PolarHBondContact O-N 2.92Å; Y341-K345 WeakPolarHBondContact O-CA 3.49Å; Y341-K345 PolarHBondContact O-N 3.17Å; Y341-P346 HydrophobicContact CD2-CG 3.88Å; Y341-P346 HydrophobicContact CE2-CG 3.99Å
342Q96.4Very high93.4Very high40 Ų4031.6 Ų31.619%0.18720%0.202CC..Hα-helixtrans-64.9-35.9177.3-72.6172.1-6.100113.4V317 M318 L320 M338 L339 L340 K345V317-Q342 PolarHBondContact O-NE2 2.96Å; M318-Q342 HydrophobicContact CE-CB 4.49Å; M318-Q342 HydrophobicContact SD-CG 4.19Å; L320-Q342 PolarHBondContact O-NE2 2.78Å; M338-Q342 WeakPolarHBondContact O-CB 3.47Å; M338-Q342 VanDerWaalsContact O-CG 3.23Å; M338-Q342 WeakPolarHBondContact O-CG 3.47Å; M338-Q342 PolarHBondContact O-N 2.66Å; L339-Q342 PolarHBondContact O-N 3.35Å; L340-Q342 VanDerWaalsContact C-N 3.32Å; L340-Q342 PolarHBondContact O-N 3.13Å; Q342-K345 VanDerWaalsContact O-CE 3.24Å; Q342-K345 WeakPolarHBondContact O-CE 3.36Å; Q342-K345 WeakPolarHBondContact O-CG 3.47Å
343V95.8Very high93.3Very high77 Ų7733.2 Ų33.247%0.46721%0.213SC..Hα-helixtrans-82.7-47-178.1174.20000111.2D11 A13 L339 L340 Y341D11-V343 HydrophobicContact CB-CG1 4.46Å; A13-V343 HydrophobicContact CB-CG1 3.95Å; L339-V343 VanDerWaalsContact O-CG2 3.27Å; L339-V343 WeakPolarHBondContact O-CG2 3.39Å; L339-V343 PolarHBondContact O-N 2.65Å; L339-V343 VanDerWaalsContact O-N 3.17Å; L340-V343 PolarHBondContact O-N 3.02Å; Y341-V343 VanDerWaalsContact C-N 3.34Å; Y341-V343 PolarHBondContact O-N 2.92Å
344V96.6Very high93.4Very high7 Ų733.7 Ų33.74%0.04222%0.215CC..Hα-helixtrans-78.4-36.5-173.5178.40000112.1A13 M265 L340A13-V344 HydrophobicContact CB-CG2 4.16Å; M265-V344 HydrophobicContact CB-CB 4.36Å; M265-V344 HydrophobicContact CB-CG1 4.41Å; M265-V344 HydrophobicContact CB-CG2 4.06Å; M265-V344 HydrophobicContact CG-CG1 4.36Å; M265-V344 WeakPolarHBondContact O-CG2 3.21Å; L340-V344 VanDerWaalsContact O-CB 3.25Å; L340-V344 WeakPolarHBondContact O-CB 3.36Å; L340-V344 VanDerWaalsContact O-CG2 3.25Å; L340-V344 WeakPolarHBondContact O-CG2 3.4Å; L340-V344 PolarHBondContact O-N 3.08Å
345K92.7Very high93.2Very high135 Ų13536.3 Ų36.359%0.58723%0.231SC*.  trans45.960.3-176.6-59.5175.3-176.7173.10112M318 Y341 Q342 G347M318-K345 HydrophobicContact CE-CD 4.29Å; M318-K345 VanDerWaalsContact CE-CE 3.5Å; M318-K345 HydrophobicContact CE-CG 4.17Å; Y341-K345 WeakPolarHBondContact O-CA 3.49Å; Y341-K345 PolarHBondContact O-N 3.17Å; Q342-K345 VanDerWaalsContact O-CE 3.24Å; Q342-K345 WeakPolarHBondContact O-CE 3.36Å; Q342-K345 WeakPolarHBondContact O-CG 3.47Å; K345-G347 PolarHBondContact O-N 2.69Å
346P84.2Confident92.8Very high13 Ų1338.7 Ų38.78%0.08425%0.248CC..  trans-60.3137.2-179.327.1-32.9000110M265 Y282 Y341M265-P346 HydrophobicContact CG-CG 4.3Å; M265-P346 HydrophobicContact SD-CG 3.87Å; Y282-P346 VanDerWaalsContact CB-CG 3.4Å; Y282-P346 HydrophobicContact CD1-CB 3.78Å; Y282-P346 HydrophobicContact CD1-CG 3.99Å; Y282-P346 HydrophobicContact CD2-CB 4.31Å; Y282-P346 HydrophobicContact CD2-CG 3.61Å; Y282-P346 HydrophobicContact CE1-CB 4.44Å; Y282-P346 HydrophobicContact CE2-CG 4.34Å; Y282-P346 HydrophobicContact CG-CB 3.7Å; Y282-P346 HydrophobicContact CG-CG 3.38Å; Y341-P346 HydrophobicContact CD2-CG 3.88Å; Y341-P346 HydrophobicContact CE2-CG 3.99Å
347G61.9Low92.4Very high124 Ų12442.2 Ų42.2100%1.27827%0.27SS*.  trans-87.30-170.500000115.4K345K345-G347 PolarHBondContact O-N 2.69Å

Retrieved 347 of 347 residues in 832.1 ms (Link to these results)

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