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Bisphosphoglycerate mutase

Plays a major role in regulating hemoglobin oxygen affinity by controlling the levels of its allosteric effector 2,3-bisphosphoglycerate (2,3-BPG). Also exhibits mutase (EC 5.4.2.11) activity.

AlphaFold DB , UniProt , Accession A0A060W0T4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110524766, Length 258 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
1M65.3Low90.5Very high222 Ų22248.7 Ų48.7100%1.09423%0.234SC*.  0143.10-71.8-176.4-108.100107.7K3M1-K3 PolarHBondContact O-N 2.83Å
2S76.3Confident90.7Very high51 Ų5144.7 Ų44.736%0.35721%0.214SC..  trans-65132.8174.3500000109.6E221 T229S2-E221 WeakPolarHBondContact CB-OE2 3.46Å; S2-E221 PolarHBondContact OG-OE2 3.18Å; S2-T229 WeakPolarHBondContact CB-OG1 3.47Å
3K86.1Confident90.9Very high119 Ų11941.8 Ų41.852%0.51720%0.201SC..  trans-111.6-35-178.3-169.2173.5-178.6-179.90111.4M1 L222 E224M1-K3 PolarHBondContact O-N 2.83Å; K3-L222 PolarHBondContact N-O 2.72Å; K3-E224 HydrophobicContact CD-CB 3.87Å
4Y93.3Very high90.8Very high22 Ų2239.1 Ų39.19%0.08619%0.189CC..EExtended strand (participates in β ladder)trans-126.9147.3-175.1-48.1-64.9000111.4I177 E221 L222 D223 F226Y4-I177 VanDerWaalsContact CB-CG2 3.45Å; Y4-I177 HydrophobicContact CD1-CG2 3.72Å; Y4-I177 WeakPolarHBondContact CD1-O 3.41Å; Y4-I177 HydrophobicContact CD2-CG2 3.95Å; Y4-I177 HydrophobicContact CE1-CG2 4.43Å; Y4-I177 WeakPolarHBondContact CE1-O 3.26Å; Y4-I177 HydrophobicContact CG-CG2 3.44Å; Y4-I177 VanDerWaalsContact CG-CG2 3.44Å; Y4-E221 WeakPolarHBondContact O-CA 3.29Å; Y4-L222 HydrophobicContact CD2-CB 4.41Å; Y4-L222 PolarHBondContact N-O 3.15Å; Y4-L222 PolarHBondContact O-N 3.18Å; Y4-D223 VanDerWaalsContact CD2-O 3.26Å; Y4-D223 WeakPolarHBondContact CD2-O 3.36Å; Y4-D223 WeakPolarHBondContact CE2-O 3.18Å; Y4-F226 HydrophobicContact CD2-CE1 4.32Å; Y4-F226 HydrophobicContact CD2-CZ 4.35Å; Y4-F226 HydrophobicContact CE2-CE1 4.4Å; Y4-F226 HydrophobicContact CE2-CE2 4.4Å; Y4-F226 AromaticContact CE2-CZ 3.97Å; Y4-F226 HydrophobicContact CE2-CZ 3.97Å
5K92.3Very high90.3Very high93 Ų9338.7 Ų38.740%0.40420%0.195SC..EExtended strand (participates in β ladder)trans-117.4127.6172-67-177-177.7178.80109L219 E221K5-L219 HydrophobicContact CB-CD1 4.04Å; K5-L219 HydrophobicContact CD-CD1 4.41Å; K5-L219 HydrophobicContact CG-CD1 4.23Å; K5-E221 HydrophobicContact CG-CG 4.48Å
6V96.1Very high90.3Very high0 Ų037.1 Ų37.10%019%0.186CC..EExtended strand (participates in β ladder)trans-125.8129.7176.5-1760000108V8 W169 I177 I185 I220 L222V6-V8 HydrophobicContact CG1-CG2 4.24Å; V6-W169 HydrophobicContact CG1-CH2 4.38Å; V6-W169 HydrophobicContact CG1-CZ3 4.4Å; V6-W169 HydrophobicContact CG2-CH2 4.43Å; V6-I177 HydrophobicContact CG2-CD1 3.56Å; V6-I177 HydrophobicContact CG2-CG1 4.08Å; V6-I177 HydrophobicContact CG2-CG2 4.46Å; V6-I185 HydrophobicContact CG1-CD1 4.39Å; V6-I220 PolarHBondContact N-O 3.42Å; V6-I220 PolarHBondContact O-N 3.09Å; V6-L222 HydrophobicContact CG2-CD1 3.88Å
7F97.9Very high89.9Confident0 Ų035.7 Ų35.70%018%0.18CC..EExtended strand (participates in β ladder)trans-99.7130.3173-60-91.1000109.1L45 Y50 L52 V183 L184 I185 I218 L219 L235F7-L45 HydrophobicContact CD1-CD2 3.95Å; F7-L45 HydrophobicContact CE1-CD2 3.77Å; F7-Y50 HydrophobicContact CE1-CD1 4.35Å; F7-Y50 HydrophobicContact CE1-CD2 4.02Å; F7-Y50 HydrophobicContact CE1-CE1 4.39Å; F7-Y50 HydrophobicContact CE1-CE2 4.07Å; F7-Y50 HydrophobicContact CE1-CG 4.16Å; F7-Y50 HydrophobicContact CE2-CD1 4.45Å; F7-Y50 AromaticContact CZ-CD1 3.56Å; F7-Y50 HydrophobicContact CZ-CD1 3.56Å; F7-Y50 AromaticContact CZ-CD2 3.98Å; F7-Y50 HydrophobicContact CZ-CD2 3.98Å; F7-Y50 AromaticContact CZ-CE1 3.83Å; F7-Y50 HydrophobicContact CZ-CE1 3.83Å; F7-Y50 HydrophobicContact CZ-CE2 4.23Å; F7-Y50 AromaticContact CZ-CG 3.64Å; F7-Y50 HydrophobicContact CZ-CG 3.64Å; F7-L52 HydrophobicContact CD2-CD2 3.92Å; F7-L52 HydrophobicContact CE2-CD2 4.24Å; F7-V183 PolarHBondContact N-O 3.38Å; F7-L184 HydrophobicContact CB-CB 4.09Å; F7-L184 HydrophobicContact CB-CD1 4.07Å; F7-L184 HydrophobicContact CB-CG 4.02Å; F7-L184 CarbonylContact O-C 3.59Å; F7-L184 WeakPolarHBondContact O-CA 3.19Å; F7-I185 PolarHBondContact O-N 3.07Å; F7-I218 CarbonylContact C-O 3.57Å; F7-I218 WeakPolarHBondContact CA-O 3.08Å; F7-L219 HydrophobicContact CD1-CB 4.49Å; F7-L219 HydrophobicContact CD1-CD1 4.33Å; F7-L219 HydrophobicContact CE1-CB 4.34Å; F7-L219 HydrophobicContact CE1-CD1 3.86Å; F7-L219 HydrophobicContact CZ-CD1 3.95Å; F7-L235 HydrophobicContact CD1-CD1 4.27Å; F7-L235 HydrophobicContact CE1-CD1 3.92Å
8V97.8Very high89.3Confident0 Ų041.6 Ų41.60%020%0.204CC..EExtended strand (participates in β ladder)trans-124.1132.5173.6-178.20000107.8V6 I185 C192 L195 I218 I220V6-V8 HydrophobicContact CG1-CG2 4.24Å; V8-I185 HydrophobicContact CG2-CD1 4.36Å; V8-C192 HydrophobicContact CG1-CB 3.8Å; V8-C192 VanDerWaalsContact CG1-SG 3.56Å; V8-L195 HydrophobicContact CG2-CD2 4.1Å; V8-I218 PolarHBondContact N-O 3.15Å; V8-I218 WeakPolarHBondContact O-CA 3.2Å; V8-I218 WeakPolarHBondContact O-CB 3.43Å; V8-I218 WeakPolarHBondContact O-CG1 3.18Å; V8-I218 PolarHBondContact O-N 3.21Å; V8-I220 HydrophobicContact CG2-CD1 3.83Å
9M96.7Very high89.2Confident1 Ų144.4 Ų44.41%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-142.6148.7175.871.2176.9-62.600111.8C41 T66 L70 L184 I185 G187 C192M9-C41 HydrophobicContact CE-CB 4.12Å; M9-C41 VanDerWaalsContact CE-SG 3.54Å; M9-T66 HydrophobicContact CE-CG2 3.56Å; M9-T66 HydrophobicContact SD-CG2 4.03Å; M9-L70 HydrophobicContact CE-CD1 4.41Å; M9-L70 HydrophobicContact SD-CD1 3.51Å; M9-L70 VanDerWaalsContact SD-CD1 3.51Å; M9-L184 HydrophobicContact SD-CD1 4.42Å; M9-L184 HydrophobicContact SD-CD2 4.43Å; M9-I185 PolarHBondContact N-O 2.9Å; M9-G187 PolarHBondContact O-N 3.32Å; M9-C192 PolarHBondContact O-SG 3.24Å; M9-C192 VanDerWaalsContact O-SG 3.35Å
10R96.8Very high89.2Confident22 Ų2243.6 Ų43.68%0.08321%0.213CC..EExtended strand (participates in β ladder)trans-82.7138162.8178.5-176.1175.7-172.8-5108.2L212 T214 G215R10-L212 PolarHBondContact NH1-O 3.39Å; R10-T214 HydrophobicContact CG-CG2 4.49Å; R10-T214 VanDerWaalsContact CZ-CG2 3.49Å; R10-G215 PolarHBondContact O-N 3.4Å; R10-G215 VanDerWaalsContact O-N 3.12Å
11H96.8Very high89.3Confident6 Ų643.9 Ų43.93%0.02821%0.212CC..PPolyproline II helixtrans-51.5161.5172.26677.3000113.2L30 R62 T66 G187 H188H11-L30 HydrophobicContact CB-CD2 4.49Å; H11-R62 VanDerWaalsContact CE1-CD 3.42Å; H11-R62 WeakPolarHBondContact CE1-CD 3.24Å; H11-R62 PolarHBondContact NE2-NE 3.14Å; H11-T66 WeakPolarHBondContact CB-OG1 3.45Å; H11-G187 PolarHBondContact CD2-O 3.12Å; H11-G187 PolarHBondContact N-O 3.02Å; H11-G187 VanDerWaalsContact N-O 3.11Å; H11-H188 AromaticContact CD2-CE1 3.56Å; H11-H188 AromaticContact CD2-CG 3.78Å; H11-H188 AromaticContact CD2-ND1 2.96Å; H11-H188 PolarHBondContact CD2-ND1 2.99Å; H11-H188 AromaticContact NE2-CE1 3.78Å; H11-H188 AromaticContact NE2-CG 3.93Å; H11-H188 AromaticContact NE2-ND1 2.96Å; H11-H188 PolarHBondContact NE2-ND1 3.23Å
12G93.3Very high90.6Very high0 Ų033.3 Ų33.30%016%0.16CC..PPolyproline II helixtrans-62.7167.5174.900000113.3G14 L30 E37 T66G12-G14 PolarHBondContact O-N 2.88Å; G12-L30 WeakPolarHBondContact O-CD2 3.38Å; G12-E37 WeakPolarHBondContact CA-OE2 3.34Å; G12-T66 PolarHBondContact N-OG1 3.29Å
13E92.5Very high91.5Very high8 Ų831.5 Ų31.54%0.03715%0.147CC..PPolyproline II helixtrans-52.9136.5179.7-160.8-175-111.800111.6T17 S31 G34 E37 K247E13-T17 HydrophobicContact CG-CG2 3.88Å; E13-S31 PolarHBondContact O-N 3.12Å; E13-S31 PolarHBondContact O-OG 3.29Å; E13-G34 WeakPolarHBondContact O-CA 3.42Å; E13-E37 PolarHBondContact N-OE2 3.3Å; E13-K247 IonicContact OE1-NZ 2.77Å; E13-K247 PolarHBondContact OE1-NZ 3.45Å
14G89.7Confident92.1Very high3 Ų326 Ų263%0.03112%0.124CC..BIsolated β-bridgetrans-108162.1174.200000110.5G12 W16 T17 K18 R29G12-G14 PolarHBondContact O-N 2.88Å; G14-W16 VanDerWaalsContact C-N 3.3Å; G14-W16 PolarHBondContact O-N 3.11Å; G14-T17 VanDerWaalsContact O-CB 3.31Å; G14-T17 WeakPolarHBondContact O-CB 3.39Å; G14-T17 PolarHBondContact O-N 3.08Å; G14-K18 PolarHBondContact O-N 3.02Å; G14-R29 WeakPolarHBondContact CA-O 3.49Å
15A84Confident92.3Very high34 Ų3425 Ų2528%0.28112%0.12SC..Hα-helixtrans-50.5-47.3-178.400000112.9T17 K18 E19A15-T17 VanDerWaalsContact C-N 3.31Å; A15-T17 PolarHBondContact O-N 2.9Å; A15-K18 VanDerWaalsContact O-CB 3.3Å; A15-K18 WeakPolarHBondContact O-CB 3.49Å; A15-K18 PolarHBondContact O-N 2.83Å; A15-K18 VanDerWaalsContact O-N 3.11Å; A15-E19 PolarHBondContact O-N 3.46Å; A15-E19 VanDerWaalsContact O-N 3.11Å
16W89.8Confident92.6Very high12 Ų1220.6 Ų20.65%0.04510%0.101CC..Hα-helixtrans-74-18.3-179.9-75.322.7000114.7G14 K18 N20 R21 C23 V26 Q28 I96 G97 Y132G14-W16 VanDerWaalsContact C-N 3.3Å; G14-W16 PolarHBondContact O-N 3.11Å; W16-K18 VanDerWaalsContact C-N 3.32Å; W16-N20 PolarHBondContact O-N 3.32Å; W16-N20 VanDerWaalsContact O-N 3.15Å; W16-R21 HydrophobicContact CB-CB 4.21Å; W16-R21 HydrophobicContact CD2-CB 4.25Å; W16-R21 VanDerWaalsContact CE2-NH1 3.27Å; W16-R21 HydrophobicContact CE3-CB 4Å; W16-R21 HydrophobicContact CG-CB 4.36Å; W16-R21 PolarHBondContact O-N 2.66Å; W16-C23 HydrophobicContact CB-CB 4.07Å; W16-C23 HydrophobicContact CE3-CB 4.14Å; W16-V26 HydrophobicContact CH2-CB 4.32Å; W16-V26 HydrophobicContact CH2-CG1 3.92Å; W16-V26 HydrophobicContact CH2-CG2 4.06Å; W16-V26 HydrophobicContact CZ2-CG1 4.24Å; W16-V26 HydrophobicContact CZ3-CB 4.32Å; W16-V26 HydrophobicContact CZ3-CG1 4.36Å; W16-V26 HydrophobicContact CZ3-CG2 4.08Å; W16-Q28 HydrophobicContact CB-CG 4.48Å; W16-Q28 HydrophobicContact CD2-CG 3.87Å; W16-Q28 HydrophobicContact CG-CG 3.85Å; W16-Q28 HydrophobicContact CZ2-CG 4.43Å; W16-Q28 VanDerWaalsContact NE1-CD 3.34Å; W16-I96 HydrophobicContact CZ3-CG2 4.48Å; W16-G97 VanDerWaalsContact CZ3-CA 3.45Å; W16-Y132 HydrophobicContact CH2-CD1 4.06Å; W16-Y132 HydrophobicContact CH2-CD2 4.23Å; W16-Y132 AromaticContact CH2-CE1 3.52Å; W16-Y132 HydrophobicContact CH2-CE1 3.52Å; W16-Y132 AromaticContact CH2-CE2 3.69Å; W16-Y132 HydrophobicContact CH2-CE2 3.69Å; W16-Y132 HydrophobicContact CH2-CG 4.4Å; W16-Y132 AromaticContact CH2-CZ 3.31Å; W16-Y132 AromaticContact CZ2-CE1 3.78Å; W16-Y132 HydrophobicContact CZ2-CE1 3.78Å; W16-Y132 HydrophobicContact CZ2-CE2 4.46Å; W16-Y132 AromaticContact CZ2-CZ 3.67Å; W16-Y132 WeakPolarHBondContact CZ2-OH 3.36Å; W16-Y132 HydrophobicContact CZ3-CE2 4.49Å
17T83.8Confident92.7Very high14 Ų1422.6 Ų22.69%0.08611%0.111CC..Hα-helixtrans-67.1-41169.3-56.10000109.4E13 G14 A15 N20E13-T17 HydrophobicContact CG-CG2 3.88Å; G14-T17 VanDerWaalsContact O-CB 3.31Å; G14-T17 WeakPolarHBondContact O-CB 3.39Å; G14-T17 PolarHBondContact O-N 3.08Å; A15-T17 VanDerWaalsContact C-N 3.31Å; A15-T17 PolarHBondContact O-N 2.9Å; T17-N20 PolarHBondContact O-N 2.95Å; T17-N20 VanDerWaalsContact O-N 3.17Å
18K79.8Confident92.6Very high142 Ų14224.9 Ų24.962%0.61712%0.122SC*.Hα-helixtrans-65.4-38.8175.9-168.8171.8-177.2165.20112.4G14 A15 W16 N20G14-K18 PolarHBondContact O-N 3.02Å; A15-K18 VanDerWaalsContact O-CB 3.3Å; A15-K18 WeakPolarHBondContact O-CB 3.49Å; A15-K18 PolarHBondContact O-N 2.83Å; A15-K18 VanDerWaalsContact O-N 3.11Å; W16-K18 VanDerWaalsContact C-N 3.32Å; K18-N20 PolarHBondContact O-N 2.84Å
19E87.1Confident92.5Very high95 Ų9533.5 Ų33.544%0.44415%0.154SC..THydrogen-bonded Turntrans-77.8-0.2174.8-64.5168.6-151.700114A15 R21 N99A15-E19 PolarHBondContact O-N 3.46Å; A15-E19 VanDerWaalsContact O-N 3.11Å; E19-R21 VanDerWaalsContact C-N 3.33Å; E19-R21 HydrophobicContact CB-CG 4.15Å; E19-R21 PolarHBondContact O-N 2.92Å; E19-R21 WeakPolarHBondContact OE2-CD 3.42Å; E19-R21 IonicContact OE2-NH1 3.31Å; E19-N99 PolarHBondContact O-ND2 3.39Å; E19-N99 VanDerWaalsContact O-ND2 3.08Å
20N87.8Confident92.5Very high27 Ų2734.7 Ų34.714%0.14416%0.16CC..THydrogen-bonded Turntrans56.338-175.7-160.522.9000115.1W16 T17 K18 N99 R100 Q251W16-N20 PolarHBondContact O-N 3.32Å; W16-N20 VanDerWaalsContact O-N 3.15Å; T17-N20 PolarHBondContact O-N 2.95Å; T17-N20 VanDerWaalsContact O-N 3.17Å; K18-N20 PolarHBondContact O-N 2.84Å; N20-N99 WeakPolarHBondContact O-CA 3.34Å; N20-R100 WeakPolarHBondContact O-CG 3.44Å; N20-R100 PolarHBondContact O-N 3Å; N20-R100 PolarHBondContact O-NH1 2.89Å; N20-R100 WeakPolarHBondContact OD1-CD 3.4Å; N20-R100 PolarHBondContact OD1-NH1 2.75Å; N20-Q251 PolarHBondContact ND2-O 3.34Å; N20-Q251 WeakPolarHBondContact OD1-CB 3.48Å; N20-Q251 PolarHBondContact OD1-O 2.95Å
21R92.6Very high92.5Very high51 Ų5134.5 Ų34.519%0.19216%0.163CC..BIsolated β-bridgetrans-104.9149.3177.6-62.317366.4-156.3-1.5112.4W16 E19 C23 G97 L98 R100 Y132W16-R21 HydrophobicContact CB-CB 4.21Å; W16-R21 HydrophobicContact CD2-CB 4.25Å; W16-R21 VanDerWaalsContact CE2-NH1 3.27Å; W16-R21 HydrophobicContact CE3-CB 4Å; W16-R21 HydrophobicContact CG-CB 4.36Å; W16-R21 PolarHBondContact O-N 2.66Å; E19-R21 VanDerWaalsContact C-N 3.33Å; E19-R21 HydrophobicContact CB-CG 4.15Å; E19-R21 PolarHBondContact O-N 2.92Å; E19-R21 WeakPolarHBondContact OE2-CD 3.42Å; E19-R21 IonicContact OE2-NH1 3.31Å; R21-C23 PolarHBondContact O-N 3.43Å; R21-C23 VanDerWaalsContact O-N 3.13Å; R21-G97 PolarHBondContact NE-O 3.44Å; R21-G97 PolarHBondContact NH2-O 2.87Å; R21-L98 VanDerWaalsContact CA-O 3.31Å; R21-L98 WeakPolarHBondContact CA-O 3.14Å; R21-R100 VanDerWaalsContact O-CZ 3.27Å; R21-R100 PolarHBondContact O-NH1 3.11Å; R21-R100 VanDerWaalsContact O-NH1 3.15Å; R21-R100 PolarHBondContact O-NH2 3.08Å; R21-Y132 PolarHBondContact NH2-OH 3.09Å
22F92.9Very high92.4Very high0 Ų041.8 Ų41.80%020%0.197CC..  trans-70.6102.6172.8-70.8-77.7000111.1Y92 L95 G97 L98 R100 M103 R116F22-Y92 HydrophobicContact CB-CG 4.49Å; F22-Y92 AromaticContact CD1-CD1 3.59Å; F22-Y92 HydrophobicContact CD1-CD1 3.59Å; F22-Y92 HydrophobicContact CD1-CD2 4.06Å; F22-Y92 AromaticContact CD1-CE1 3.47Å; F22-Y92 HydrophobicContact CD1-CE1 3.47Å; F22-Y92 VanDerWaalsContact CD1-CE1 3.47Å; F22-Y92 AromaticContact CD1-CE2 3.96Å; F22-Y92 HydrophobicContact CD1-CE2 3.96Å; F22-Y92 AromaticContact CD1-CG 3.88Å; F22-Y92 HydrophobicContact CD1-CG 3.88Å; F22-Y92 AromaticContact CD1-CZ 3.67Å; F22-Y92 AromaticContact CE1-CD1 3.81Å; F22-Y92 HydrophobicContact CE1-CD1 3.81Å; F22-Y92 AromaticContact CE1-CE1 3.33Å; F22-Y92 HydrophobicContact CE1-CE1 3.33Å; F22-Y92 HydrophobicContact CE1-CE2 4.47Å; F22-Y92 AromaticContact CE1-CZ 3.72Å; F22-Y92 HydrophobicContact CG-CD1 4.37Å; F22-Y92 HydrophobicContact CG-CG 4.46Å; F22-Y92 HydrophobicContact CZ-CE1 4.38Å; F22-L95 VanDerWaalsContact CB-O 3.3Å; F22-L95 WeakPolarHBondContact CB-O 3.18Å; F22-L95 HydrophobicContact CD2-CB 4.24Å; F22-L95 WeakPolarHBondContact CD2-O 3.47Å; F22-G97 PolarHBondContact O-N 3Å; F22-L98 HydrophobicContact CD2-CB 4.48Å; F22-L98 WeakPolarHBondContact CD2-O 3.42Å; F22-L98 PolarHBondContact N-O 2.99Å; F22-R100 HydrophobicContact CD1-CG 4.42Å; F22-R100 HydrophobicContact CD2-CG 4.02Å; F22-R100 HydrophobicContact CE1-CG 4.08Å; F22-R100 HydrophobicContact CE2-CB 4.36Å; F22-R100 HydrophobicContact CE2-CG 3.65Å; F22-R100 HydrophobicContact CG-CG 4.39Å; F22-R100 HydrophobicContact CZ-CB 4.48Å; F22-R100 HydrophobicContact CZ-CG 3.69Å; F22-M103 HydrophobicContact CE2-CG 4.4Å; F22-R116 HydrophobicContact CE1-CG 3.81Å; F22-R116 HydrophobicContact CZ-CG 4.01Å
23C95.5Very high92.5Very high13 Ų1344.7 Ų44.79%0.08821%0.212CC..  trans-77.2-53.2-179.1-178.20000113.3W16 R21 W25 V26W16-C23 HydrophobicContact CB-CB 4.07Å; W16-C23 HydrophobicContact CE3-CB 4.14Å; R21-C23 PolarHBondContact O-N 3.43Å; R21-C23 VanDerWaalsContact O-N 3.13Å; C23-W25 PolarHBondContact O-N 2.84Å; C23-V26 WeakPolarHBondContact O-CB 3.44Å; C23-V26 WeakPolarHBondContact O-CG2 3.46Å; C23-V26 PolarHBondContact O-N 2.88Å; C23-V26 PolarHBondContact SG-O 3.37Å; C23-V26 VanDerWaalsContact SG-O 3.4Å
24S97.5Very high92.7Very high3 Ų344.3 Ų44.32%0.02121%0.21CC..THydrogen-bonded Turntrans53.1-128.3176.9-166.60000112.9V26 R62 R90 H91 Y92S24-V26 VanDerWaalsContact C-N 3.3Å; S24-V26 PolarHBondContact O-N 3.2Å; S24-R62 PolarHBondContact O-NH2 3.4Å; S24-R90 PolarHBondContact OG-O 3.09Å; S24-H91 VanDerWaalsContact OG-CA 3.28Å; S24-H91 WeakPolarHBondContact OG-CA 3.3Å; S24-Y92 PolarHBondContact OG-N 2.85Å
25W98.5Very high93.1Very high2 Ų246.7 Ų46.71%0.00822%0.224CC..THydrogen-bonded Turntrans-81.4-2.5-176.7-77.138.9000114.6C23 D27 W85 N88 E89 H91 I136 Y142 L152 P153C23-W25 PolarHBondContact O-N 2.84Å; W25-D27 PolarHBondContact O-N 3.15Å; W25-W85 AromaticContact CH2-CE3 3.61Å; W25-W85 HydrophobicContact CH2-CE3 3.61Å; W25-W85 HydrophobicContact CH2-CZ3 4.02Å; W25-W85 AromaticContact CZ2-CE3 3.92Å; W25-W85 HydrophobicContact CZ2-CE3 3.92Å; W25-W85 HydrophobicContact CZ2-CZ3 4.22Å; W25-N88 HydrophobicContact CZ2-CB 4.14Å; W25-E89 VanDerWaalsContact CD1-O 3.29Å; W25-E89 PolarHBondContact NE1-O 3.37Å; W25-H91 AromaticContact CD1-CD2 3.85Å; W25-H91 AromaticContact CD2-CD2 3.46Å; W25-H91 VanDerWaalsContact CD2-CD2 3.46Å; W25-H91 AromaticContact CE2-CD2 3.79Å; W25-H91 AromaticContact CE3-CD2 3.86Å; W25-H91 AromaticContact CG-CD2 3.52Å; W25-H91 AromaticContact NE1-CD2 3.99Å; W25-I136 HydrophobicContact CB-CD1 4.14Å; W25-I136 HydrophobicContact CB-CG1 4.41Å; W25-I136 HydrophobicContact CB-CG2 4.09Å; W25-I136 HydrophobicContact CE3-CG2 4.13Å; W25-Y142 AromaticContact CE3-CE1 3.73Å; W25-Y142 HydrophobicContact CE3-CE1 3.73Å; W25-Y142 HydrophobicContact CE3-CE2 4.5Å; W25-Y142 AromaticContact CE3-CZ 3.67Å; W25-Y142 HydrophobicContact CH2-CE1 4.41Å; W25-Y142 HydrophobicContact CZ3-CD1 4.11Å; W25-Y142 AromaticContact CZ3-CE1 3.55Å; W25-Y142 HydrophobicContact CZ3-CE1 3.55Å; W25-Y142 AromaticContact CZ3-CZ 3.99Å; W25-L152 HydrophobicContact CH2-CD2 3.79Å; W25-L152 HydrophobicContact CZ3-CB 4.41Å; W25-L152 HydrophobicContact CZ3-CD2 3.92Å; W25-P153 HydrophobicContact CH2-CG 3.75Å; W25-P153 HydrophobicContact CZ2-CG 3.76Å
26V98.1Very high93.7Very high0 Ų050.9 Ų50.90%024%0.236CC..SBendtrans-63.1131.9168.3-177.70000108.4W16 C23 S24 Q28 R62 I96 Y132 E135 I136W16-V26 HydrophobicContact CH2-CB 4.32Å; W16-V26 HydrophobicContact CH2-CG1 3.92Å; W16-V26 HydrophobicContact CH2-CG2 4.06Å; W16-V26 HydrophobicContact CZ2-CG1 4.24Å; W16-V26 HydrophobicContact CZ3-CB 4.32Å; W16-V26 HydrophobicContact CZ3-CG1 4.36Å; W16-V26 HydrophobicContact CZ3-CG2 4.08Å; C23-V26 WeakPolarHBondContact O-CB 3.44Å; C23-V26 WeakPolarHBondContact O-CG2 3.46Å; C23-V26 PolarHBondContact O-N 2.88Å; C23-V26 PolarHBondContact SG-O 3.37Å; C23-V26 VanDerWaalsContact SG-O 3.4Å; S24-V26 VanDerWaalsContact C-N 3.3Å; S24-V26 PolarHBondContact O-N 3.2Å; V26-Q28 HydrophobicContact CG1-CG 3.89Å; V26-Q28 PolarHBondContact O-N 3.33Å; V26-R62 PolarHBondContact O-NH1 3.26Å; V26-I96 HydrophobicContact CG2-CG2 3.36Å; V26-Y132 HydrophobicContact CG1-CD1 4.44Å; V26-Y132 HydrophobicContact CG2-CD1 4.15Å; V26-Y132 HydrophobicContact CG2-CG 4.05Å; V26-E135 WeakPolarHBondContact CG1-OE1 3.33Å; V26-I136 HydrophobicContact CG2-CD1 4.15Å; V26-I136 HydrophobicContact CG2-CG1 4.47Å
27D97.7Very high94.1Very high42 Ų4252.6 Ų52.623%0.22525%0.245CC..  trans-85.853.4-173.4-165.127.4000112.9W25 L60 S61 R141W25-D27 PolarHBondContact O-N 3.15Å; D27-L60 HydrophobicContact CB-CD2 4.49Å; D27-S61 VanDerWaalsContact OD1-CB 3.3Å; D27-S61 WeakPolarHBondContact OD1-CB 3.39Å; D27-S61 PolarHBondContact OD1-N 2.93Å; D27-S61 PolarHBondContact OD1-OG 3.2Å; D27-S61 PolarHBondContact OD2-OG 3.12Å; D27-R141 IonicContact OD1-NH1 2.62Å; D27-R141 IonicContact OD2-CZ 3.49Å; D27-R141 IonicContact OD2-NH1 3.64Å; D27-R141 PolarHBondContact OD2-NH1 3.43Å; D27-R141 IonicContact OD2-NH2 3.91Å; D27-R141 PolarHBondContact OD2-NH2 3.45Å
28Q95.6Very high94.7Very high48 Ų4851.9 Ų51.922%0.22424%0.241CC..PPolyproline II helixtrans-65.2141.2173.2-65.4-64.2-44.100110.8W16 V26 R62W16-Q28 HydrophobicContact CB-CG 4.48Å; W16-Q28 HydrophobicContact CD2-CG 3.87Å; W16-Q28 HydrophobicContact CG-CG 3.85Å; W16-Q28 HydrophobicContact CZ2-CG 4.43Å; W16-Q28 VanDerWaalsContact NE1-CD 3.34Å; V26-Q28 HydrophobicContact CG1-CG 3.89Å; V26-Q28 PolarHBondContact O-N 3.33Å; Q28-R62 WeakPolarHBondContact O-CD 3.37Å; Q28-R62 PolarHBondContact O-NH1 2.72Å
29R96.3Very high95.6Very high181 Ų18147.6 Ų47.668%0.68322%0.224SC*.PPolyproline II helixtrans-79.7170.4176.4-63.2-171.9178.9-166.6-0.1111.9G14G14-R29 WeakPolarHBondContact CA-O 3.49Å
30L96.5Very high96.1Very high25 Ų2545.8 Ų45.813%0.13123%0.225CC..BIsolated β-bridgetrans-63.5148.5169.1-63.6173.9000110.5H11 G12 V35 R62 H65 L69H11-L30 HydrophobicContact CB-CD2 4.49Å; G12-L30 WeakPolarHBondContact O-CD2 3.38Å; L30-V35 HydrophobicContact CB-CG2 4.13Å; L30-V35 HydrophobicContact CD1-CG2 4.4Å; L30-R62 HydrophobicContact CD2-CB 3.87Å; L30-R62 HydrophobicContact CG-CB 4.14Å; L30-H65 HydrophobicContact CD1-CB 3.87Å; L30-L69 HydrophobicContact CD1-CD1 4.07Å
31S95.8Very high96.6Very high19 Ų1944.6 Ų44.613%0.13322%0.219CC..PPolyproline II helixtrans-77.8171163.668.40000110.2E13 D33 G34 V35E13-S31 PolarHBondContact O-N 3.12Å; E13-S31 PolarHBondContact O-OG 3.29Å; S31-D33 PolarHBondContact O-N 2.89Å; S31-D33 PolarHBondContact OG-N 3.45Å; S31-G34 PolarHBondContact O-N 2.93Å; S31-G34 VanDerWaalsContact O-N 3.12Å; S31-G34 PolarHBondContact OG-N 3.05Å; S31-V35 WeakPolarHBondContact O-CG2 3.32Å; S31-V35 PolarHBondContact O-N 3.07Å
32E95.9Very high96.8Very high158 Ų15842.2 Ų42.274%0.73821%0.21SC*.Hα-helixtrans-56.4-39.3171.5-66178.9-175.600112.1V35 K36E32-V35 PolarHBondContact O-N 3.46Å; E32-K36 WeakPolarHBondContact O-CG 3.48Å; E32-K36 PolarHBondContact O-N 2.94Å
33D95Very high97.1Very high61 Ų6146.3 Ų46.333%0.32623%0.229SC..Hα-helixtrans-69.4-37.9176.9-62.1-35.3000111S31 V35 K36 E37S31-D33 PolarHBondContact O-N 2.89Å; S31-D33 PolarHBondContact OG-N 3.45Å; D33-V35 VanDerWaalsContact C-N 3.29Å; D33-V35 PolarHBondContact O-N 2.92Å; D33-K36 PolarHBondContact O-N 2.9Å; D33-K36 IonicContact OD1-NZ 3.92Å; D33-K36 PolarHBondContact OD1-NZ 3.45Å; D33-K36 VanDerWaalsContact OD1-NZ 3.14Å; D33-E37 WeakPolarHBondContact O-CG 2.99Å; D33-E37 PolarHBondContact O-N 2.65Å
34G96.3Very high97.2Very high0 Ų048.2 Ų48.20%024%0.238CC..Hα-helixtrans-64.2-30173.300000114.4E13 S31 A38E13-G34 WeakPolarHBondContact O-CA 3.42Å; S31-G34 PolarHBondContact O-N 2.93Å; S31-G34 VanDerWaalsContact O-N 3.12Å; S31-G34 PolarHBondContact OG-N 3.05Å; G34-A38 PolarHBondContact O-N 3.47Å; G34-A38 VanDerWaalsContact O-N 3.15Å
35V97.9Very high97.2Very high53 Ų5348.1 Ų48.132%0.32124%0.237SC..Hα-helixtrans-67.5-46.8171.6169.90000110.5L30 S31 E32 D33 E37 A38 L39 L69L30-V35 HydrophobicContact CB-CG2 4.13Å; L30-V35 HydrophobicContact CD1-CG2 4.4Å; S31-V35 WeakPolarHBondContact O-CG2 3.32Å; S31-V35 PolarHBondContact O-N 3.07Å; E32-V35 PolarHBondContact O-N 3.46Å; D33-V35 VanDerWaalsContact C-N 3.29Å; D33-V35 PolarHBondContact O-N 2.92Å; V35-E37 VanDerWaalsContact C-N 3.34Å; V35-E37 PolarHBondContact O-N 3.41Å; V35-A38 PolarHBondContact O-N 3.34Å; V35-L39 HydrophobicContact CG1-CD1 4.14Å; V35-L39 PolarHBondContact O-N 2.75Å; V35-L69 HydrophobicContact CB-CD1 4.19Å; V35-L69 HydrophobicContact CG1-CD1 3.87Å; V35-L69 HydrophobicContact CG1-CD2 4.32Å; V35-L69 HydrophobicContact CG2-CD1 4.1Å
36K97.6Very high97.2Very high122 Ų12255 Ų5553%0.5326%0.263SS..Hα-helixtrans-61-43.2176.8-64.6169-164.7157.80111.6E32 D33 A38 L39 A40E32-K36 WeakPolarHBondContact O-CG 3.48Å; E32-K36 PolarHBondContact O-N 2.94Å; D33-K36 PolarHBondContact O-N 2.9Å; D33-K36 IonicContact OD1-NZ 3.92Å; D33-K36 PolarHBondContact OD1-NZ 3.45Å; D33-K36 VanDerWaalsContact OD1-NZ 3.14Å; K36-A38 VanDerWaalsContact C-N 3.33Å; K36-A38 PolarHBondContact O-N 3.08Å; K36-L39 PolarHBondContact O-N 2.75Å; K36-A40 VanDerWaalsContact O-CB 3.32Å; K36-A40 WeakPolarHBondContact O-CB 3.36Å; K36-A40 PolarHBondContact O-N 2.62Å
37E97Very high97.1Very high48 Ų4862.7 Ų62.722%0.22430%0.299CS..Hα-helixtrans-57.5-44.2175.4-77177.9165.300111.8G12 E13 D33 V35 A40 C41 T214G12-E37 WeakPolarHBondContact CA-OE2 3.34Å; E13-E37 PolarHBondContact N-OE2 3.3Å; D33-E37 WeakPolarHBondContact O-CG 2.99Å; D33-E37 PolarHBondContact O-N 2.65Å; V35-E37 VanDerWaalsContact C-N 3.34Å; V35-E37 PolarHBondContact O-N 3.41Å; E37-A40 PolarHBondContact O-N 3.03Å; E37-C41 PolarHBondContact O-N 2.64Å; E37-C41 PolarHBondContact O-SG 3.33Å; E37-T214 PolarHBondContact OE1-OG1 3.13Å; E37-T214 VanDerWaalsContact OE1-OG1 3.07Å; E37-T214 WeakPolarHBondContact OE2-CB 3.39Å; E37-T214 PolarHBondContact OE2-OG1 3.13Å
38A98Very high97.1Very high0 Ų063.5 Ų63.50%031%0.311CS..Hα-helixtrans-66.3-43179.100000112.8G34 V35 K36 C41 G42 T66 L69G34-A38 PolarHBondContact O-N 3.47Å; G34-A38 VanDerWaalsContact O-N 3.15Å; V35-A38 PolarHBondContact O-N 3.34Å; K36-A38 VanDerWaalsContact C-N 3.33Å; K36-A38 PolarHBondContact O-N 3.08Å; A38-C41 WeakPolarHBondContact O-CB 3.49Å; A38-C41 PolarHBondContact O-N 2.75Å; A38-G42 PolarHBondContact O-N 3.26Å; A38-T66 HydrophobicContact CB-CG2 3.91Å; A38-L69 HydrophobicContact CB-CB 3.88Å; A38-L69 HydrophobicContact CB-CD1 3.94Å
39L98.4Very high97.1Very high52 Ų5263.4 Ų63.427%0.27232%0.323SS..Hα-helixtrans-63.3-44.2175.2-71167.5000111.4V35 K36 C41 G42 H43 L69 A73V35-L39 HydrophobicContact CG1-CD1 4.14Å; V35-L39 PolarHBondContact O-N 2.75Å; K36-L39 PolarHBondContact O-N 2.75Å; L39-C41 VanDerWaalsContact C-N 3.29Å; L39-C41 PolarHBondContact O-N 2.9Å; L39-G42 PolarHBondContact O-N 2.91Å; L39-H43 PolarHBondContact O-CD2 3.21Å; L39-H43 PolarHBondContact O-N 2.99Å; L39-L69 HydrophobicContact CD2-CB 4.13Å; L39-L69 HydrophobicContact CD2-CD2 4.12Å; L39-L69 HydrophobicContact CG-CB 4.32Å; L39-L69 HydrophobicContact CG-CD2 4.35Å; L39-A73 HydrophobicContact CD2-CB 4.21Å
40A97.8Very high97.2Very high56 Ų5657 Ų5746%0.46330%0.299SS..Hα-helixtrans-59.4-39.2176.700000112.1K36 E37 G42 H43 L44K36-A40 VanDerWaalsContact O-CB 3.32Å; K36-A40 WeakPolarHBondContact O-CB 3.36Å; K36-A40 PolarHBondContact O-N 2.62Å; E37-A40 PolarHBondContact O-N 3.03Å; A40-G42 VanDerWaalsContact C-N 3.35Å; A40-G42 PolarHBondContact O-N 2.81Å; A40-H43 PolarHBondContact O-N 3.2Å; A40-L44 WeakPolarHBondContact O-CB 3.1Å; A40-L44 PolarHBondContact O-N 2.97Å
41C97.3Very high97.2Very high3 Ų362 Ų622%0.0232%0.322CS..Hα-helixtrans-59.3-44.7172.8-67.70000112.1M9 E37 A38 L39 L44 L45 L70 G215 P217M9-C41 HydrophobicContact CE-CB 4.12Å; M9-C41 VanDerWaalsContact CE-SG 3.54Å; E37-C41 PolarHBondContact O-N 2.64Å; E37-C41 PolarHBondContact O-SG 3.33Å; A38-C41 WeakPolarHBondContact O-CB 3.49Å; A38-C41 PolarHBondContact O-N 2.75Å; L39-C41 VanDerWaalsContact C-N 3.29Å; L39-C41 PolarHBondContact O-N 2.9Å; C41-L44 PolarHBondContact O-N 3.18Å; C41-L45 WeakPolarHBondContact O-CG 3.34Å; C41-L45 PolarHBondContact O-N 2.97Å; C41-L70 HydrophobicContact CB-CD1 3.9Å; C41-G215 PolarHBondContact SG-O 3.1Å; C41-P217 HydrophobicContact CB-CG 3.93Å
42G98Very high97.3Very high0 Ų061.2 Ų61.20%032%0.316CS..Hα-helixtrans-66-42.3179.500000112.6A38 L39 A40 L45 R46 L70 M74A38-G42 PolarHBondContact O-N 3.26Å; L39-G42 PolarHBondContact O-N 2.91Å; A40-G42 VanDerWaalsContact C-N 3.35Å; A40-G42 PolarHBondContact O-N 2.81Å; G42-L45 PolarHBondContact O-N 2.98Å; G42-R46 VanDerWaalsContact O-CB 3.32Å; G42-R46 WeakPolarHBondContact O-CB 3.41Å; G42-R46 PolarHBondContact O-N 2.69Å; G42-L70 WeakPolarHBondContact CA-O 3.36Å; G42-M74 WeakPolarHBondContact O-CG 3.5Å
43H98.3Very high97.4Very high87 Ų8757.1 Ų57.140%0.40330%0.3SS..Hα-helixtrans-60.1-47173.5-66.7-49.9000111.8L39 A40 L45 R46 E47L39-H43 PolarHBondContact O-CD2 3.21Å; L39-H43 PolarHBondContact O-N 2.99Å; A40-H43 PolarHBondContact O-N 3.2Å; H43-L45 PolarHBondContact O-N 3.13Å; H43-R46 PolarHBondContact O-N 2.88Å; H43-E47 WeakPolarHBondContact O-CB 3.42Å; H43-E47 VanDerWaalsContact O-CG 3.3Å; H43-E47 WeakPolarHBondContact O-CG 3Å; H43-E47 PolarHBondContact O-N 2.75Å
44L97.6Very high97.6Very high53 Ų5354.5 Ų54.528%0.27729%0.286SS..Hα-helixtrans-56.9-47177.2177.669.5000112.2A40 C41 A48 L235A40-L44 WeakPolarHBondContact O-CB 3.1Å; A40-L44 PolarHBondContact O-N 2.97Å; C41-L44 PolarHBondContact O-N 3.18Å; L44-A48 WeakPolarHBondContact O-CB 3.32Å; L44-A48 PolarHBondContact O-N 3.19Å; L44-A48 VanDerWaalsContact O-N 3.09Å; L44-L235 HydrophobicContact CD2-CB 3.81Å; L44-L235 WeakPolarHBondContact CD2-O 3.36Å
45L97.7Very high97.7Very high0 Ų054.5 Ų54.50%029%0.286CS..Hα-helixtrans-67.4-37.8179.9-68.8-179.7000112.1F7 C41 G42 H43 G49 Y50 L70 M74 L184 P217 L235F7-L45 HydrophobicContact CD1-CD2 3.95Å; F7-L45 HydrophobicContact CE1-CD2 3.77Å; C41-L45 WeakPolarHBondContact O-CG 3.34Å; C41-L45 PolarHBondContact O-N 2.97Å; G42-L45 PolarHBondContact O-N 2.98Å; H43-L45 PolarHBondContact O-N 3.13Å; L45-G49 PolarHBondContact O-N 2.84Å; L45-Y50 HydrophobicContact CB-CD2 4.44Å; L45-Y50 HydrophobicContact CD2-CD2 3.68Å; L45-Y50 HydrophobicContact CD2-CE2 4.26Å; L45-Y50 WeakPolarHBondContact O-CB 3.45Å; L45-Y50 PolarHBondContact O-N 3.36Å; L45-L70 HydrophobicContact CD1-CD1 4.03Å; L45-L70 HydrophobicContact CD1-CD2 4.28Å; L45-L70 HydrophobicContact CD1-CG 4.42Å; L45-M74 HydrophobicContact CB-CE 3.72Å; L45-M74 HydrophobicContact CB-CG 4.41Å; L45-M74 HydrophobicContact CB-SD 3.75Å; L45-M74 HydrophobicContact CD1-SD 3.97Å; L45-L184 HydrophobicContact CD1-CD1 3.9Å; L45-P217 HydrophobicContact CD1-CG 4.43Å; L45-P217 HydrophobicContact CD2-CB 4.18Å; L45-P217 HydrophobicContact CD2-CG 4.34Å; L45-P217 HydrophobicContact CG-CG 4.31Å; L45-L235 HydrophobicContact CD2-CD1 3.78Å
46R97.9Very high97.7Very high148 Ų14852.1 Ų52.156%0.55827%0.271SS*.Hα-helixtrans-65.2-47.9176.1-179.5178.4173.2173-0.1112.2G42 H43 A48 G49 A73 M74G42-R46 VanDerWaalsContact O-CB 3.32Å; G42-R46 WeakPolarHBondContact O-CB 3.41Å; G42-R46 PolarHBondContact O-N 2.69Å; H43-R46 PolarHBondContact O-N 2.88Å; R46-A48 VanDerWaalsContact C-N 3.25Å; R46-A48 PolarHBondContact O-N 3.33Å; R46-G49 WeakPolarHBondContact O-CA 3.43Å; R46-G49 PolarHBondContact O-N 3.47Å; R46-A73 VanDerWaalsContact CD-O 3.28Å; R46-A73 WeakPolarHBondContact CD-O 3.4Å; R46-A73 PolarHBondContact NH1-O 2.89Å; R46-M74 HydrophobicContact CB-CG 4.26Å
47E97.4Very high97.8Very high161 Ų16146.3 Ų46.375%0.75225%0.246SC*.Hα-helixtrans-62.4-35.1178.8-73.4171.7-175.100111.7H43 G49H43-E47 WeakPolarHBondContact O-CB 3.42Å; H43-E47 VanDerWaalsContact O-CG 3.3Å; H43-E47 WeakPolarHBondContact O-CG 3Å; H43-E47 PolarHBondContact O-N 2.75Å; E47-G49 PolarHBondContact O-N 3.18Å
48A96.4Very high97.9Very high58 Ų5844 Ų4448%0.47924%0.235SC..THydrogen-bonded Turntrans-74.8-0.8173.100000114.1L44 R46 Y50L44-A48 WeakPolarHBondContact O-CB 3.32Å; L44-A48 PolarHBondContact O-N 3.19Å; L44-A48 VanDerWaalsContact O-N 3.09Å; R46-A48 VanDerWaalsContact C-N 3.25Å; R46-A48 PolarHBondContact O-N 3.33Å; A48-Y50 HydrophobicContact CB-CD2 3.56Å; A48-Y50 HydrophobicContact CB-CE2 3.44Å; A48-Y50 VanDerWaalsContact CB-CE2 3.44Å; A48-Y50 PolarHBondContact O-N 2.87Å
49G96.9Very high97.9Very high46 Ų4645.4 Ų45.447%0.47424%0.242SC..THydrogen-bonded Turntrans74.120.4177.300000114.6L45 R46 E47 H51L45-G49 PolarHBondContact O-N 2.84Å; R46-G49 WeakPolarHBondContact O-CA 3.43Å; R46-G49 PolarHBondContact O-N 3.47Å; E47-G49 PolarHBondContact O-N 3.18Å; G49-H51 PolarHBondContact O-CE1 3.32Å; G49-H51 PolarHBondContact O-ND1 2.87Å; G49-H51 VanDerWaalsContact O-ND1 3.15Å
50Y96.9Very high97.9Very high46 Ų4643 Ų4318%0.1823%0.23CC..  trans-78143.7177.8-64.4-59.6000112.2F7 L45 A48 M74 Q76 L235F7-Y50 HydrophobicContact CE1-CD1 4.35Å; F7-Y50 HydrophobicContact CE1-CD2 4.02Å; F7-Y50 HydrophobicContact CE1-CE1 4.39Å; F7-Y50 HydrophobicContact CE1-CE2 4.07Å; F7-Y50 HydrophobicContact CE1-CG 4.16Å; F7-Y50 HydrophobicContact CE2-CD1 4.45Å; F7-Y50 AromaticContact CZ-CD1 3.56Å; F7-Y50 HydrophobicContact CZ-CD1 3.56Å; F7-Y50 AromaticContact CZ-CD2 3.98Å; F7-Y50 HydrophobicContact CZ-CD2 3.98Å; F7-Y50 AromaticContact CZ-CE1 3.83Å; F7-Y50 HydrophobicContact CZ-CE1 3.83Å; F7-Y50 HydrophobicContact CZ-CE2 4.23Å; F7-Y50 AromaticContact CZ-CG 3.64Å; F7-Y50 HydrophobicContact CZ-CG 3.64Å; L45-Y50 HydrophobicContact CB-CD2 4.44Å; L45-Y50 HydrophobicContact CD2-CD2 3.68Å; L45-Y50 HydrophobicContact CD2-CE2 4.26Å; L45-Y50 WeakPolarHBondContact O-CB 3.45Å; L45-Y50 PolarHBondContact O-N 3.36Å; A48-Y50 HydrophobicContact CB-CD2 3.56Å; A48-Y50 HydrophobicContact CB-CE2 3.44Å; A48-Y50 VanDerWaalsContact CB-CE2 3.44Å; A48-Y50 PolarHBondContact O-N 2.87Å; Y50-M74 VanDerWaalsContact O-CE 3.24Å; Y50-M74 WeakPolarHBondContact O-CE 3.31Å; Y50-Q76 PolarHBondContact O-NE2 3.4Å; Y50-L235 HydrophobicContact CE2-CD1 3.97Å
51H96.6Very high97.9Very high131 Ų13141.1 Ų41.161%0.60621%0.213SC*.  trans-123142.1174.2-61.380.7000108.4G49 S182G49-H51 PolarHBondContact O-CE1 3.32Å; G49-H51 PolarHBondContact O-ND1 2.87Å; G49-H51 VanDerWaalsContact O-ND1 3.15Å; H51-S182 WeakPolarHBondContact O-CB 3.12Å; H51-S182 PolarHBondContact O-OG 2.89Å
52L97.9Very high98Very high2 Ų241.3 Ų41.31%0.0121%0.213CC..  trans-112.9137.8178.6-60.4177000109.1F7 V55 L70 L71 M74 V79 L184F7-L52 HydrophobicContact CD2-CD2 3.92Å; F7-L52 HydrophobicContact CE2-CD2 4.24Å; L52-V55 HydrophobicContact CD1-CG2 4.12Å; L52-L70 HydrophobicContact CD1-CD2 3.93Å; L52-L71 HydrophobicContact CD1-CD2 4.02Å; L52-M74 HydrophobicContact CD1-CE 4.27Å; L52-M74 HydrophobicContact CD1-SD 3.93Å; L52-M74 HydrophobicContact CG-CE 4.16Å; L52-M74 HydrophobicContact CG-SD 4.47Å; L52-V79 HydrophobicContact CB-CG1 4.33Å; L52-V79 WeakPolarHBondContact O-CG2 3.42Å; L52-L184 HydrophobicContact CD1-CB 3.84Å; L52-L184 HydrophobicContact CD1-CD1 3.88Å; L52-L184 HydrophobicContact CD1-CG 4.44Å; L52-L184 HydrophobicContact CD2-CB 3.83Å; L52-L184 HydrophobicContact CG-CB 4.46Å
53D98.3Very high98Very high73 Ų7341.3 Ų41.339%0.3921%0.213SC..SBendtrans-102.5-24.8177.1-63.9-64.6000111.6K181 S182D53-K181 HydrophobicContact CB-CB 3.77Å; D53-K181 HydrophobicContact CB-CD 4.27Å; D53-K181 HydrophobicContact CB-CG 3.89Å; D53-K181 WeakPolarHBondContact OD2-CA 3.3Å; D53-S182 PolarHBondContact N-O 3.3Å; D53-S182 PolarHBondContact OD2-N 2.81Å
54V98.6Very high98Very high6 Ų638 Ų384%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-157.5144.3176.359.90000110.9F56 V82 E176 V183 L184V54-F56 HydrophobicContact CB-CE2 4.48Å; V54-F56 HydrophobicContact CG1-CE2 3.77Å; V54-F56 HydrophobicContact CG1-CZ 4.4Å; V54-F56 HydrophobicContact CG2-CD2 4.39Å; V54-F56 HydrophobicContact CG2-CE2 3.86Å; V54-F56 HydrophobicContact CG2-CZ 3.99Å; V54-V82 HydrophobicContact CG2-CG2 4.18Å; V54-E176 HydrophobicContact CG1-CB 4.29Å; V54-E176 HydrophobicContact CG1-CG 4.49Å; V54-V183 HydrophobicContact CG1-CB 4.41Å; V54-V183 HydrophobicContact CG1-CG1 4.34Å; V54-V183 HydrophobicContact CG1-CG2 3.72Å; V54-L184 PolarHBondContact O-N 3.34Å; V54-L184 VanDerWaalsContact O-N 3.14Å
55V98.8Very high98.1Very high0 Ų038.8 Ų38.80%020%0.201CC..EExtended strand (participates in β ladder)trans-117.5134.3173.8-178.10000110.7L52 T57 A67 L71 V79 P80 V81 V82 L184L52-V55 HydrophobicContact CD1-CG2 4.12Å; V55-T57 HydrophobicContact CG1-CG2 4.06Å; V55-A67 HydrophobicContact CG1-CB 3.79Å; V55-L71 HydrophobicContact CG2-CD1 4.07Å; V55-L71 HydrophobicContact CG2-CD2 3.98Å; V55-L71 HydrophobicContact CG2-CG 4.32Å; V55-V79 HydrophobicContact CG2-CG1 4.06Å; V55-P80 PolarHBondContact N-O 3.33Å; V55-V81 HydrophobicContact CB-CG2 4.32Å; V55-V81 CarbonylContact O-C 3.59Å; V55-V81 WeakPolarHBondContact O-CA 3.5Å; V55-V82 PolarHBondContact O-N 2.91Å; V55-L184 CarbonylContact C-O 3.54Å; V55-L184 WeakPolarHBondContact CA-O 3.48Å; V55-L184 HydrophobicContact CG1-CD2 3.69Å; V55-L184 HydrophobicContact CG2-CB 4.28Å
56F98.9Very high98.1Very high2 Ų238.8 Ų38.81%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-109.7137.5172.8-65.5-85.6000110.9V54 V82 L87 Y168 T172 I173 E176 V183 L184 I185 S186V54-F56 HydrophobicContact CB-CE2 4.48Å; V54-F56 HydrophobicContact CG1-CE2 3.77Å; V54-F56 HydrophobicContact CG1-CZ 4.4Å; V54-F56 HydrophobicContact CG2-CD2 4.39Å; V54-F56 HydrophobicContact CG2-CE2 3.86Å; V54-F56 HydrophobicContact CG2-CZ 3.99Å; F56-V82 CarbonylContact C-O 3.56Å; F56-V82 WeakPolarHBondContact CA-O 3.49Å; F56-V82 HydrophobicContact CD1-CB 3.71Å; F56-V82 HydrophobicContact CD1-CG1 4.16Å; F56-V82 HydrophobicContact CD1-CG2 4.45Å; F56-V82 HydrophobicContact CE1-CB 3.77Å; F56-V82 HydrophobicContact CE1-CG1 4.06Å; F56-V82 HydrophobicContact CE1-CG2 4.09Å; F56-L87 HydrophobicContact CB-CD1 3.76Å; F56-Y168 HydrophobicContact CD1-CE1 4.09Å; F56-T172 HydrophobicContact CE1-CG2 3.87Å; F56-T172 HydrophobicContact CZ-CG2 4.44Å; F56-I173 HydrophobicContact CD1-CG1 4.03Å; F56-I173 HydrophobicContact CD2-CD1 4.49Å; F56-I173 HydrophobicContact CD2-CG1 3.99Å; F56-I173 HydrophobicContact CD2-CG2 4.42Å; F56-I173 HydrophobicContact CE1-CG1 4.03Å; F56-I173 HydrophobicContact CE2-CB 4.41Å; F56-I173 HydrophobicContact CE2-CG1 3.98Å; F56-I173 HydrophobicContact CE2-CG2 4.21Å; F56-I173 HydrophobicContact CG-CD1 4.28Å; F56-I173 HydrophobicContact CG-CG1 4Å; F56-I173 HydrophobicContact CZ-CG1 3.99Å; F56-E176 HydrophobicContact CE2-CG 4.5Å; F56-E176 HydrophobicContact CZ-CG 4Å; F56-V183 HydrophobicContact CD2-CG1 3.51Å; F56-V183 HydrophobicContact CE2-CG1 3.65Å; F56-L184 PolarHBondContact N-O 3.48Å; F56-I185 HydrophobicContact CB-CG1 4.35Å; F56-I185 CarbonylContact O-C 3.52Å; F56-I185 WeakPolarHBondContact O-CA 3.32Å; F56-S186 PolarHBondContact O-N 2.95Å
57T98.9Very high98.2Very high0 Ų031.8 Ų31.80%017%0.174CC..EExtended strand (participates in β ladder)trans-135.9165.3-179.366.70000111.1V55 A67 V81 V82 K83 S84 L87 S186V55-T57 HydrophobicContact CG1-CG2 4.06Å; T57-A67 HydrophobicContact CG2-CB 3.64Å; T57-V81 HydrophobicContact CG2-CG1 3.75Å; T57-V82 PolarHBondContact N-O 2.8Å; T57-V82 PolarHBondContact OG1-O 3.49Å; T57-K83 WeakPolarHBondContact O-CA 3.49Å; T57-K83 WeakPolarHBondContact OG1-CG 3.44Å; T57-S84 PolarHBondContact O-N 3.48Å; T57-L87 WeakPolarHBondContact O-CD1 3.28Å; T57-S186 WeakPolarHBondContact CA-O 3.27Å
58S98.8Very high98.2Very high0 Ų030 Ų300%016%0.161CC..  trans-75.8-178.3167.584.20000111.8L60 S63 S84 L87 N88 H188S58-L60 VanDerWaalsContact C-N 3.27Å; S58-L60 WeakPolarHBondContact OG-CB 3.1Å; S58-L60 PolarHBondContact OG-N 3.07Å; S58-S63 PolarHBondContact N-OG 2.88Å; S58-S63 VanDerWaalsContact N-OG 3.14Å; S58-S63 PolarHBondContact OG-OG 3.29Å; S58-S84 WeakPolarHBondContact CA-O 3.37Å; S58-L87 VanDerWaalsContact CB-C 3.45Å; S58-L87 WeakPolarHBondContact CB-O 3.17Å; S58-N88 WeakPolarHBondContact CB-OD1 3.43Å; S58-H188 VanDerWaalsContact CB-NE2 3.33Å; S58-H188 WeakPolarHBondContact CB-NE2 3.46Å; S58-H188 PolarHBondContact OG-NE2 3.27Å
59L98.6Very high98.3Very high30 Ų3028.7 Ų28.716%0.15715%0.145CC..SBendtrans-83.3-4.1168.6-65.7-177.2000113K83 W85 N88 R141L59-K83 HydrophobicContact CD2-CB 3.85Å; L59-W85 HydrophobicContact CD1-CB 3.74Å; L59-W85 HydrophobicContact CG-CB 4.24Å; L59-N88 PolarHBondContact N-OD1 3.13Å; L59-R141 HydrophobicContact CD1-CB 4.33Å; L59-R141 HydrophobicContact CD1-CG 4.32Å; L59-R141 PolarHBondContact O-NH1 3.03Å
60L98.6Very high98.4Very high1 Ų126.5 Ų26.51%0.00512%0.123CC..SBendtrans-85.4126.6-179-57.1176.2000109.7D27 S58 R62 S63 N88 E89D27-L60 HydrophobicContact CB-CD2 4.49Å; S58-L60 VanDerWaalsContact C-N 3.27Å; S58-L60 WeakPolarHBondContact OG-CB 3.1Å; S58-L60 PolarHBondContact OG-N 3.07Å; L60-R62 PolarHBondContact O-N 3Å; L60-R62 VanDerWaalsContact O-N 3.12Å; L60-S63 PolarHBondContact O-N 3.24Å; L60-S63 PolarHBondContact O-OG 3.44Å; L60-N88 HydrophobicContact CD1-CB 4.36Å; L60-E89 HydrophobicContact CD1-CB 4.42Å
61S98.4Very high98.5Very high17 Ų1724.4 Ų24.412%0.11912%0.115CC..Hα-helixtrans-52.7-39.8-168.8620000112.8D27 S63 I64 H65D27-S61 VanDerWaalsContact OD1-CB 3.3Å; D27-S61 WeakPolarHBondContact OD1-CB 3.39Å; D27-S61 PolarHBondContact OD1-N 2.93Å; D27-S61 PolarHBondContact OD1-OG 3.2Å; D27-S61 PolarHBondContact OD2-OG 3.12Å; S61-S63 VanDerWaalsContact C-N 3.3Å; S61-S63 PolarHBondContact O-N 3.22Å; S61-I64 WeakPolarHBondContact O-CB 3.04Å; S61-I64 PolarHBondContact O-N 2.88Å; S61-I64 VanDerWaalsContact O-N 3.11Å; S61-H65 WeakPolarHBondContact O-CB 3.37Å; S61-H65 PolarHBondContact O-CD2 2.6Å; S61-H65 PolarHBondContact O-N 3.47Å
62R98.3Very high98.6Very high6 Ų623.3 Ų23.32%0.02311%0.11CC..Hα-helixtrans-58.3-34.6177.559.6-172.3-179.7-89.61.7114.6H11 S24 V26 Q28 L30 L60 T66H11-R62 VanDerWaalsContact CE1-CD 3.42Å; H11-R62 WeakPolarHBondContact CE1-CD 3.24Å; H11-R62 PolarHBondContact NE2-NE 3.14Å; S24-R62 PolarHBondContact O-NH2 3.4Å; V26-R62 PolarHBondContact O-NH1 3.26Å; Q28-R62 WeakPolarHBondContact O-CD 3.37Å; Q28-R62 PolarHBondContact O-NH1 2.72Å; L30-R62 HydrophobicContact CD2-CB 3.87Å; L30-R62 HydrophobicContact CG-CB 4.14Å; L60-R62 PolarHBondContact O-N 3Å; L60-R62 VanDerWaalsContact O-N 3.12Å; R62-T66 WeakPolarHBondContact O-CB 3.15Å; R62-T66 PolarHBondContact O-N 3.44Å; R62-T66 VanDerWaalsContact O-N 3.1Å; R62-T66 PolarHBondContact O-OG1 3.47Å; R62-T66 VanDerWaalsContact O-OG1 3.05Å
63S98.6Very high98.7Very high0 Ų023.5 Ų23.50%011%0.112CC..Hα-helixtrans-74.2-36.7175.877.60000111.8S58 L60 S61 A67 S186S58-S63 PolarHBondContact N-OG 2.88Å; S58-S63 VanDerWaalsContact N-OG 3.14Å; S58-S63 PolarHBondContact OG-OG 3.29Å; L60-S63 PolarHBondContact O-N 3.24Å; L60-S63 PolarHBondContact O-OG 3.44Å; S61-S63 VanDerWaalsContact C-N 3.3Å; S61-S63 PolarHBondContact O-N 3.22Å; S63-A67 PolarHBondContact O-N 3.43Å; S63-A67 VanDerWaalsContact O-N 3.08Å; S63-S186 WeakPolarHBondContact CB-O 3.49Å; S63-S186 PolarHBondContact O-OG 3.22Å
64I98.8Very high98.7Very high19 Ų1920.4 Ų20.410%0.09710%0.095CC..Hα-helixtrans-66.7-49.2177.3-61.7164.7000110.1S61 T66 A67 W68 K83S61-I64 WeakPolarHBondContact O-CB 3.04Å; S61-I64 PolarHBondContact O-N 2.88Å; S61-I64 VanDerWaalsContact O-N 3.11Å; I64-T66 VanDerWaalsContact C-N 3.34Å; I64-T66 PolarHBondContact O-N 2.85Å; I64-A67 WeakPolarHBondContact O-CB 3.46Å; I64-A67 PolarHBondContact O-N 2.72Å; I64-A67 VanDerWaalsContact O-N 3.12Å; I64-W68 HydrophobicContact CG2-CD2 3.92Å; I64-W68 VanDerWaalsContact CG2-CE2 3.46Å; I64-W68 HydrophobicContact CG2-CE3 4.32Å; I64-W68 HydrophobicContact CG2-CH2 3.93Å; I64-W68 HydrophobicContact CG2-CZ2 3.48Å; I64-W68 VanDerWaalsContact CG2-CZ2 3.48Å; I64-W68 HydrophobicContact CG2-CZ3 4.33Å; I64-W68 PolarHBondContact O-N 2.74Å; I64-K83 HydrophobicContact CD1-CD 3.83Å; I64-K83 HydrophobicContact CG1-CD 4.14Å
65H98.6Very high98.7Very high69 Ų6922 Ų2232%0.31911%0.113SC..Hα-helixtrans-63.4-38.3177.2-80.7-75.8000112L30 S61 A67 W68 L69L30-H65 HydrophobicContact CD1-CB 3.87Å; S61-H65 WeakPolarHBondContact O-CB 3.37Å; S61-H65 PolarHBondContact O-CD2 2.6Å; S61-H65 PolarHBondContact O-N 3.47Å; H65-A67 VanDerWaalsContact C-N 3.33Å; H65-A67 PolarHBondContact O-N 2.97Å; H65-W68 AromaticContact CE1-CE3 3.92Å; H65-W68 AromaticContact CE1-CZ3 3.68Å; H65-W68 AromaticContact ND1-CE3 3.68Å; H65-W68 AromaticContact ND1-CZ3 3.92Å; H65-W68 PolarHBondContact O-N 2.71Å; H65-L69 WeakPolarHBondContact O-CB 3.09Å; H65-L69 VanDerWaalsContact O-CG 3.3Å; H65-L69 WeakPolarHBondContact O-CG 3.43Å; H65-L69 PolarHBondContact O-N 3.33Å
66T98.7Very high98.7Very high0 Ų022.6 Ų22.60%012%0.116CC..Hα-helixtrans-59.1-45.2171.6-69.20000111.3M9 H11 G12 A38 R62 I64 L70M9-T66 HydrophobicContact CE-CG2 3.56Å; M9-T66 HydrophobicContact SD-CG2 4.03Å; H11-T66 WeakPolarHBondContact CB-OG1 3.45Å; G12-T66 PolarHBondContact N-OG1 3.29Å; A38-T66 HydrophobicContact CB-CG2 3.91Å; R62-T66 WeakPolarHBondContact O-CB 3.15Å; R62-T66 PolarHBondContact O-N 3.44Å; R62-T66 VanDerWaalsContact O-N 3.1Å; R62-T66 PolarHBondContact O-OG1 3.47Å; R62-T66 VanDerWaalsContact O-OG1 3.05Å; I64-T66 VanDerWaalsContact C-N 3.34Å; I64-T66 PolarHBondContact O-N 2.85Å; T66-L70 WeakPolarHBondContact O-CB 3.24Å; T66-L70 PolarHBondContact O-N 2.91Å
67A98.8Very high98.7Very high0 Ų028.1 Ų28.10%014%0.141CC..Hα-helixtrans-62.5-42.7177.500000112.2V55 T57 S63 I64 H65 L70 L71V55-A67 HydrophobicContact CG1-CB 3.79Å; T57-A67 HydrophobicContact CG2-CB 3.64Å; S63-A67 PolarHBondContact O-N 3.43Å; S63-A67 VanDerWaalsContact O-N 3.08Å; I64-A67 WeakPolarHBondContact O-CB 3.46Å; I64-A67 PolarHBondContact O-N 2.72Å; I64-A67 VanDerWaalsContact O-N 3.12Å; H65-A67 VanDerWaalsContact C-N 3.33Å; H65-A67 PolarHBondContact O-N 2.97Å; A67-L70 PolarHBondContact O-N 3.14Å; A67-L71 WeakPolarHBondContact O-CB 3.46Å; A67-L71 VanDerWaalsContact O-CG 3.26Å; A67-L71 WeakPolarHBondContact O-CG 3.41Å; A67-L71 PolarHBondContact O-N 3.19Å
68W98.8Very high98.6Very high125 Ų12536.9 Ų36.947%0.47318%0.175SC..Hα-helixtrans-62.3-49.6178.3-68.2-17.3000112.9I64 H65 L70 L71 E72I64-W68 HydrophobicContact CG2-CD2 3.92Å; I64-W68 VanDerWaalsContact CG2-CE2 3.46Å; I64-W68 HydrophobicContact CG2-CE3 4.32Å; I64-W68 HydrophobicContact CG2-CH2 3.93Å; I64-W68 HydrophobicContact CG2-CZ2 3.48Å; I64-W68 VanDerWaalsContact CG2-CZ2 3.48Å; I64-W68 HydrophobicContact CG2-CZ3 4.33Å; I64-W68 PolarHBondContact O-N 2.74Å; H65-W68 AromaticContact CE1-CE3 3.92Å; H65-W68 AromaticContact CE1-CZ3 3.68Å; H65-W68 AromaticContact ND1-CE3 3.68Å; H65-W68 AromaticContact ND1-CZ3 3.92Å; H65-W68 PolarHBondContact O-N 2.71Å; W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 3.05Å; W68-L71 PolarHBondContact O-N 2.96Å; W68-E72 WeakPolarHBondContact O-CB 3.07Å; W68-E72 PolarHBondContact O-N 2.77Å
69L98.8Very high98.6Very high29 Ų2937.1 Ų37.115%0.15218%0.176CC..Hα-helixtrans-63.1-38.3178.8-68.5165.8000111.8L30 V35 A38 L39 H65 E72 A73L30-L69 HydrophobicContact CD1-CD1 4.07Å; V35-L69 HydrophobicContact CB-CD1 4.19Å; V35-L69 HydrophobicContact CG1-CD1 3.87Å; V35-L69 HydrophobicContact CG1-CD2 4.32Å; V35-L69 HydrophobicContact CG2-CD1 4.1Å; A38-L69 HydrophobicContact CB-CB 3.88Å; A38-L69 HydrophobicContact CB-CD1 3.94Å; L39-L69 HydrophobicContact CD2-CB 4.13Å; L39-L69 HydrophobicContact CD2-CD2 4.12Å; L39-L69 HydrophobicContact CG-CB 4.32Å; L39-L69 HydrophobicContact CG-CD2 4.35Å; H65-L69 WeakPolarHBondContact O-CB 3.09Å; H65-L69 VanDerWaalsContact O-CG 3.3Å; H65-L69 WeakPolarHBondContact O-CG 3.43Å; H65-L69 PolarHBondContact O-N 3.33Å; L69-E72 PolarHBondContact O-N 3.31Å; L69-A73 WeakPolarHBondContact O-CB 3.49Å; L69-A73 PolarHBondContact O-N 2.81Å
70L98.6Very high98.6Very high0 Ų039.1 Ų39.10%019%0.191CC..Hα-helixtrans-62.8-48.1175.1178.7154.6000110.9M9 C41 G42 L45 L52 T66 A67 W68 E72 A73 M74 L184M9-L70 HydrophobicContact CE-CD1 4.41Å; M9-L70 HydrophobicContact SD-CD1 3.51Å; M9-L70 VanDerWaalsContact SD-CD1 3.51Å; C41-L70 HydrophobicContact CB-CD1 3.9Å; G42-L70 WeakPolarHBondContact CA-O 3.36Å; L45-L70 HydrophobicContact CD1-CD1 4.03Å; L45-L70 HydrophobicContact CD1-CD2 4.28Å; L45-L70 HydrophobicContact CD1-CG 4.42Å; L52-L70 HydrophobicContact CD1-CD2 3.93Å; T66-L70 WeakPolarHBondContact O-CB 3.24Å; T66-L70 PolarHBondContact O-N 2.91Å; A67-L70 PolarHBondContact O-N 3.14Å; W68-L70 VanDerWaalsContact C-N 3.3Å; W68-L70 PolarHBondContact O-N 3.05Å; L70-E72 VanDerWaalsContact C-N 3.35Å; L70-A73 PolarHBondContact O-N 3.47Å; L70-M74 HydrophobicContact CD2-CG 4.35Å; L70-M74 HydrophobicContact CD2-SD 3.42Å; L70-M74 WeakPolarHBondContact CD2-SD 3.36Å; L70-M74 HydrophobicContact CG-SD 4.28Å; L70-M74 VanDerWaalsContact O-CG 3.29Å; L70-M74 WeakPolarHBondContact O-CG 3.45Å; L70-M74 PolarHBondContact O-N 3.41Å; L70-L184 HydrophobicContact CD1-CD1 3.72Å; L70-L184 HydrophobicContact CD2-CD1 4.03Å
71L98.8Very high98.6Very high2 Ų240.6 Ų40.61%0.0120%0.2CC..Hα-helixtrans-64.9-38.1178.7-71.1175.1000112L52 V55 A67 W68 M74 G75 Q76 V79 V81L52-L71 HydrophobicContact CD1-CD2 4.02Å; V55-L71 HydrophobicContact CG2-CD1 4.07Å; V55-L71 HydrophobicContact CG2-CD2 3.98Å; V55-L71 HydrophobicContact CG2-CG 4.32Å; A67-L71 WeakPolarHBondContact O-CB 3.46Å; A67-L71 VanDerWaalsContact O-CG 3.26Å; A67-L71 WeakPolarHBondContact O-CG 3.41Å; A67-L71 PolarHBondContact O-N 3.19Å; W68-L71 PolarHBondContact O-N 2.96Å; L71-M74 CarbonylContact O-C 3.54Å; L71-M74 PolarHBondContact O-N 2.99Å; L71-G75 PolarHBondContact O-N 2.94Å; L71-Q76 HydrophobicContact CD2-CB 3.95Å; L71-Q76 PolarHBondContact O-N 2.79Å; L71-V79 HydrophobicContact CD1-CB 4.37Å; L71-V79 HydrophobicContact CD2-CB 4.04Å; L71-V79 HydrophobicContact CD2-CG1 4.42Å; L71-V79 HydrophobicContact CD2-CG2 4.39Å; L71-V81 HydrophobicContact CD1-CG2 3.8Å
72E98.8Very high98.7Very high108 Ų10842.6 Ų42.651%0.50521%0.211SC..Hα-helixtrans-58.3-52172.8179-178.4-170.700111.3W68 L69 L70 M74 G75 E77W68-E72 WeakPolarHBondContact O-CB 3.07Å; W68-E72 PolarHBondContact O-N 2.77Å; L69-E72 PolarHBondContact O-N 3.31Å; L70-E72 VanDerWaalsContact C-N 3.35Å; E72-M74 PolarHBondContact O-N 3.11Å; E72-G75 PolarHBondContact O-N 3.46Å; E72-E77 HydrophobicContact CB-CG 4.29Å
73A98.6Very high98.7Very high6 Ų646.4 Ų46.45%0.0523%0.228CC..Hα-helixtrans-62.4-30.417800000112.9L39 R46 L69 L70L39-A73 HydrophobicContact CD2-CB 4.21Å; R46-A73 VanDerWaalsContact CD-O 3.28Å; R46-A73 WeakPolarHBondContact CD-O 3.4Å; R46-A73 PolarHBondContact NH1-O 2.89Å; L69-A73 WeakPolarHBondContact O-CB 3.49Å; L69-A73 PolarHBondContact O-N 2.81Å; L70-A73 PolarHBondContact O-N 3.47Å
74M98.6Very high98.7Very high8 Ų847 Ų474%0.03923%0.232CC..Hα-helixtrans-77.8-17.9173.6-69-177.776.300114.1G42 L45 R46 Y50 L52 L70 L71 E72 Q76G42-M74 WeakPolarHBondContact O-CG 3.5Å; L45-M74 HydrophobicContact CB-CE 3.72Å; L45-M74 HydrophobicContact CB-CG 4.41Å; L45-M74 HydrophobicContact CB-SD 3.75Å; L45-M74 HydrophobicContact CD1-SD 3.97Å; R46-M74 HydrophobicContact CB-CG 4.26Å; Y50-M74 VanDerWaalsContact O-CE 3.24Å; Y50-M74 WeakPolarHBondContact O-CE 3.31Å; L52-M74 HydrophobicContact CD1-CE 4.27Å; L52-M74 HydrophobicContact CD1-SD 3.93Å; L52-M74 HydrophobicContact CG-CE 4.16Å; L52-M74 HydrophobicContact CG-SD 4.47Å; L70-M74 HydrophobicContact CD2-CG 4.35Å; L70-M74 HydrophobicContact CD2-SD 3.42Å; L70-M74 WeakPolarHBondContact CD2-SD 3.36Å; L70-M74 HydrophobicContact CG-SD 4.28Å; L70-M74 VanDerWaalsContact O-CG 3.29Å; L70-M74 WeakPolarHBondContact O-CG 3.45Å; L70-M74 PolarHBondContact O-N 3.41Å; L71-M74 CarbonylContact O-C 3.54Å; L71-M74 PolarHBondContact O-N 2.99Å; E72-M74 PolarHBondContact O-N 3.11Å; M74-Q76 HydrophobicContact CB-CB 4.15Å; M74-Q76 HydrophobicContact CB-CG 4.17Å
75G98.6Very high98.7Very high40 Ų4046.7 Ų46.741%0.41223%0.23SC..THydrogen-bonded Turntrans6835-168.900000113.1L71 E72 E77L71-G75 PolarHBondContact O-N 2.94Å; E72-G75 PolarHBondContact O-N 3.46Å; G75-E77 WeakPolarHBondContact CA-OE2 3.5Å
76Q98.6Very high98.7Very high13 Ų1345.2 Ų45.26%0.06122%0.222CC..  trans-125.930-173.4-71.6-1783700112.1Y50 L71 M74 W78 V79Y50-Q76 PolarHBondContact O-NE2 3.4Å; L71-Q76 HydrophobicContact CD2-CB 3.95Å; L71-Q76 PolarHBondContact O-N 2.79Å; M74-Q76 HydrophobicContact CB-CB 4.15Å; M74-Q76 HydrophobicContact CB-CG 4.17Å; Q76-W78 PolarHBondContact O-N 3.41Å; Q76-V79 HydrophobicContact CB-CG2 3.81Å; Q76-V79 VanDerWaalsContact O-CB 3.28Å; Q76-V79 WeakPolarHBondContact O-CB 3.49Å; Q76-V79 VanDerWaalsContact O-CG2 3.28Å; Q76-V79 WeakPolarHBondContact O-CG2 3.38Å; Q76-V79 PolarHBondContact O-N 2.88Å
77E98.6Very high98.7Very high117 Ų11745.4 Ų45.455%0.54722%0.222SC..THydrogen-bonded Turntrans-60.2-21.1-177.8-57.195.513600113.6E72 G75 V79E72-E77 HydrophobicContact CB-CG 4.29Å; G75-E77 WeakPolarHBondContact CA-OE2 3.5Å; E77-V79 VanDerWaalsContact C-N 3.26Å; E77-V79 PolarHBondContact O-N 3.48Å
78W98.5Very high98.7Very high185 Ų18545.4 Ų45.470%0.70122%0.222SC*.THydrogen-bonded Turntrans-74.3-13.9175.760.3-93.1000113.5Q76Q76-W78 PolarHBondContact O-N 3.41Å
79V98.7Very high98.7Very high4 Ų440.3 Ų40.32%0.02420%0.204CC..SBendtrans-63.2130.1179.9172.30000109.9L52 V55 L71 Q76 E77 V81L52-V79 HydrophobicContact CB-CG1 4.33Å; L52-V79 WeakPolarHBondContact O-CG2 3.42Å; V55-V79 HydrophobicContact CG2-CG1 4.06Å; L71-V79 HydrophobicContact CD1-CB 4.37Å; L71-V79 HydrophobicContact CD2-CB 4.04Å; L71-V79 HydrophobicContact CD2-CG1 4.42Å; L71-V79 HydrophobicContact CD2-CG2 4.39Å; Q76-V79 HydrophobicContact CB-CG2 3.81Å; Q76-V79 VanDerWaalsContact O-CB 3.28Å; Q76-V79 WeakPolarHBondContact O-CB 3.49Å; Q76-V79 VanDerWaalsContact O-CG2 3.28Å; Q76-V79 WeakPolarHBondContact O-CG2 3.38Å; Q76-V79 PolarHBondContact O-N 2.88Å; E77-V79 VanDerWaalsContact C-N 3.26Å; E77-V79 PolarHBondContact O-N 3.48Å; V79-V81 PolarHBondContact O-N 3.11Å
80P98.7Very high98.6Very high73 Ų7339.1 Ų39.147%0.47420%0.197SC..  trans-57.9134.5179.5-25.733.9000113.4V55V55-P80 PolarHBondContact N-O 3.33Å
81V98.8Very high98.6Very high31 Ų3139.1 Ų39.119%0.18820%0.197CC..EExtended strand (participates in β ladder)trans-117.7107.7177.8-173.30000111.7V55 T57 L71 V79 K83V55-V81 HydrophobicContact CB-CG2 4.32Å; V55-V81 CarbonylContact O-C 3.59Å; V55-V81 WeakPolarHBondContact O-CA 3.5Å; T57-V81 HydrophobicContact CG2-CG1 3.75Å; L71-V81 HydrophobicContact CD1-CG2 3.8Å; V79-V81 PolarHBondContact O-N 3.11Å; V81-K83 PolarHBondContact O-NZ 2.99Å
82V98.6Very high98.6Very high59 Ų5939.7 Ų39.736%0.35820%0.199SC..EExtended strand (participates in β ladder)trans-96.5141.6179.4-1700000110.3V54 V55 F56 T57 Y168V54-V82 HydrophobicContact CG2-CG2 4.18Å; V55-V82 PolarHBondContact O-N 2.91Å; F56-V82 CarbonylContact C-O 3.56Å; F56-V82 WeakPolarHBondContact CA-O 3.49Å; F56-V82 HydrophobicContact CD1-CB 3.71Å; F56-V82 HydrophobicContact CD1-CG1 4.16Å; F56-V82 HydrophobicContact CD1-CG2 4.45Å; F56-V82 HydrophobicContact CE1-CB 3.77Å; F56-V82 HydrophobicContact CE1-CG1 4.06Å; F56-V82 HydrophobicContact CE1-CG2 4.09Å; T57-V82 PolarHBondContact N-O 2.8Å; T57-V82 PolarHBondContact OG1-O 3.49Å; V82-Y168 WeakPolarHBondContact CG1-OH 3.5Å
83K98.6Very high98.5Very high87 Ų8734.5 Ų34.538%0.37818%0.175SC..EExtended strand (participates in β ladder)trans-129.2137.2-170.3-42.1-176.617354.80110.2T57 L59 I64 V81T57-K83 WeakPolarHBondContact O-CA 3.49Å; T57-K83 WeakPolarHBondContact OG1-CG 3.44Å; L59-K83 HydrophobicContact CD2-CB 3.85Å; I64-K83 HydrophobicContact CD1-CD 3.83Å; I64-K83 HydrophobicContact CG1-CD 4.14Å; V81-K83 PolarHBondContact O-NZ 2.99Å
84S98.7Very high98.4Very high13 Ų1335.8 Ų35.89%0.09119%0.186CC..  trans-152.3141.3179178.80000112.5T57 S58 R86 L87 Y168T57-S84 PolarHBondContact O-N 3.48Å; S58-S84 WeakPolarHBondContact CA-O 3.37Å; S84-R86 PolarHBondContact O-N 2.77Å; S84-R86 WeakPolarHBondContact OG-CB 3.3Å; S84-R86 PolarHBondContact OG-N 3.18Å; S84-L87 PolarHBondContact O-N 3.15Å; S84-L87 VanDerWaalsContact O-N 3.12Å; S84-Y168 WeakPolarHBondContact CB-OH 3.43Å
85W98.8Very high98.2Very high12 Ų1235.8 Ų35.85%0.04519%0.186CC..G310 helixtrans-64.4-23.2175.878.5-87.8000111.3W25 L59 L87 N88 C145 D146 I147 L152 P153 R164W25-W85 AromaticContact CH2-CE3 3.61Å; W25-W85 HydrophobicContact CH2-CE3 3.61Å; W25-W85 HydrophobicContact CH2-CZ3 4.02Å; W25-W85 AromaticContact CZ2-CE3 3.92Å; W25-W85 HydrophobicContact CZ2-CE3 3.92Å; W25-W85 HydrophobicContact CZ2-CZ3 4.22Å; L59-W85 HydrophobicContact CD1-CB 3.74Å; L59-W85 HydrophobicContact CG-CB 4.24Å; W85-L87 PolarHBondContact O-N 3.07Å; W85-L87 VanDerWaalsContact O-N 3.1Å; W85-N88 WeakPolarHBondContact O-CB 3.41Å; W85-N88 VanDerWaalsContact O-CG 3.29Å; W85-N88 PolarHBondContact O-N 2.93Å; W85-C145 HydrophobicContact CG-CB 4.43Å; W85-D146 PolarHBondContact NE1-OD1 3.07Å; W85-I147 HydrophobicContact CH2-CD1 3.65Å; W85-I147 HydrophobicContact CZ2-CD1 3.29Å; W85-I147 HydrophobicContact CZ2-CG1 3.77Å; W85-I147 HydrophobicContact CZ2-CG2 4.46Å; W85-L152 HydrophobicContact CD2-CD2 3.95Å; W85-L152 HydrophobicContact CE3-CD2 3.95Å; W85-L152 HydrophobicContact CG-CD2 4.41Å; W85-L152 HydrophobicContact CZ3-CD2 4.27Å; W85-P153 HydrophobicContact CZ3-CG 4.29Å; W85-R164 HydrophobicContact CH2-CB 3.81Å; W85-R164 HydrophobicContact CH2-CG 4.09Å; W85-R164 HydrophobicContact CZ3-CB 4.28Å; W85-R164 HydrophobicContact CZ3-CG 4.05Å
86R98.7Very high98.2Very high38 Ų3834 Ų3414%0.14317%0.167CC..G310 helixtrans-64.2-13.1176.2-62.9-177.5177.1-82.30.1113.3S84 D146 R164 Y168S84-R86 PolarHBondContact O-N 2.77Å; S84-R86 WeakPolarHBondContact OG-CB 3.3Å; S84-R86 PolarHBondContact OG-N 3.18Å; R86-D146 IonicContact CZ-OD2 3.6Å; R86-D146 IonicContact NE-OD1 2.74Å; R86-D146 IonicContact NE-OD2 3.13Å; R86-D146 PolarHBondContact NE-OD2 3.48Å; R86-D146 IonicContact NH2-OD1 3.29Å; R86-D146 IonicContact NH2-OD2 2.74Å; R86-D146 PolarHBondContact NH2-OD2 3.4Å; R86-R164 WeakPolarHBondContact CB-O 3.43Å; R86-R164 VanDerWaalsContact CD-O 3.32Å; R86-R164 WeakPolarHBondContact CD-O 3.28Å; R86-R164 WeakPolarHBondContact CG-O 3.33Å; R86-R164 PolarHBondContact NH1-O 3.26Å; R86-R164 PolarHBondContact O-NH1 3Å; R86-Y168 HydrophobicContact CB-CD1 4.49Å; R86-Y168 HydrophobicContact CB-CG 4.06Å
87L98.8Very high98Very high3 Ų333.8 Ų33.82%0.01617%0.168CC..G310 helixtrans-100.1-1.4170.6-68178.1000113.7F56 T57 S58 S84 W85 L165 Y168 I185 H188 S191F56-L87 HydrophobicContact CB-CD1 3.76Å; T57-L87 WeakPolarHBondContact O-CD1 3.28Å; S58-L87 VanDerWaalsContact CB-C 3.45Å; S58-L87 WeakPolarHBondContact CB-O 3.17Å; S84-L87 PolarHBondContact O-N 3.15Å; S84-L87 VanDerWaalsContact O-N 3.12Å; W85-L87 PolarHBondContact O-N 3.07Å; W85-L87 VanDerWaalsContact O-N 3.1Å; L87-L165 HydrophobicContact CD2-CD1 4.04Å; L87-L165 HydrophobicContact CD2-CG 4.2Å; L87-Y168 HydrophobicContact CD1-CD1 4.23Å; L87-Y168 HydrophobicContact CD1-CE1 3.73Å; L87-Y168 HydrophobicContact CD2-CD1 4.29Å; L87-Y168 HydrophobicContact CG-CD1 3.96Å; L87-Y168 HydrophobicContact CG-CE1 3.92Å; L87-I185 HydrophobicContact CD1-CG2 4.19Å; L87-I185 HydrophobicContact CD2-CG2 4.15Å; L87-H188 PolarHBondContact O-CD2 2.91Å; L87-S191 PolarHBondContact O-OG 2.83Å; L87-S191 VanDerWaalsContact O-OG 3.08Å
88N98.8Very high97.8Very high0 Ų031.5 Ų31.50%016%0.159CC..SBendtrans-55.2155.5176.3-77.25.1000111.3W25 S58 L59 L60 W85 Y142 R164 S191W25-N88 HydrophobicContact CZ2-CB 4.14Å; S58-N88 WeakPolarHBondContact CB-OD1 3.43Å; L59-N88 PolarHBondContact N-OD1 3.13Å; L60-N88 HydrophobicContact CD1-CB 4.36Å; W85-N88 WeakPolarHBondContact O-CB 3.41Å; W85-N88 VanDerWaalsContact O-CG 3.29Å; W85-N88 PolarHBondContact O-N 2.93Å; N88-Y142 PolarHBondContact ND2-OH 3.42Å; N88-R164 PolarHBondContact O-NH1 3.24Å; N88-R164 PolarHBondContact O-NH2 2.94Å; N88-S191 VanDerWaalsContact O-CB 3.32Å; N88-S191 WeakPolarHBondContact O-CB 3.43Å
89E98.3Very high97.5Very high19 Ų1924.3 Ų24.39%0.08914%0.135CC..PPolyproline II helixtrans-55.2160170.5-173.754.4-65.700110.9W25 L60 H91 R164 H188 G189 N190 S191W25-E89 VanDerWaalsContact CD1-O 3.29Å; W25-E89 PolarHBondContact NE1-O 3.37Å; L60-E89 HydrophobicContact CD1-CB 4.42Å; E89-H91 PolarHBondContact O-N 3.18Å; E89-R164 PolarHBondContact O-NH2 3.42Å; E89-H188 HydrophobicContact CB-CB 3.63Å; E89-H188 HydrophobicContact CG-CB 3.96Å; E89-H188 PolarHBondContact N-CD2 2.87Å; E89-H188 VanDerWaalsContact OE2-CB 3.31Å; E89-H188 WeakPolarHBondContact OE2-CB 3.26Å; E89-G189 PolarHBondContact OE2-N 3.34Å; E89-N190 WeakPolarHBondContact OE1-CA 3.46Å; E89-N190 WeakPolarHBondContact OE1-CB 3.46Å; E89-N190 PolarHBondContact OE1-N 3.29Å; E89-N190 PolarHBondContact OE2-N 3.35Å; E89-S191 PolarHBondContact OE1-N 2.95Å
90R98.3Very high97Very high3 Ų325 Ų251%0.01114%0.137CC..PPolyproline II helixtrans-53.7133168.8-179.9175.5172.1-116.519.1111.6S24 Y92 W115 L121 E156 V161 N190S24-R90 PolarHBondContact OG-O 3.09Å; R90-Y92 VanDerWaalsContact NH1-CD1 3.26Å; R90-Y92 PolarHBondContact O-N 3.32Å; R90-W115 PolarHBondContact NH1-O 2.91Å; R90-W115 PolarHBondContact NH2-O 3.38Å; R90-L121 PolarHBondContact NH2-O 2.99Å; R90-E156 HydrophobicContact CG-CB 4.06Å; R90-E156 WeakPolarHBondContact CG-O 3.03Å; R90-E156 VanDerWaalsContact CZ-O 3.25Å; R90-E156 PolarHBondContact NE-O 2.75Å; R90-V161 HydrophobicContact CB-CG2 3.71Å; R90-V161 HydrophobicContact CG-CG2 3.83Å; R90-N190 HydrophobicContact CB-CB 3.68Å
91H98.4Very high96.2Very high0 Ų022.9 Ų22.90%013%0.125CC..  trans-72.4107.4172.3-158.5-66.6000110.7S24 W25 E89 G93 Y137 P153 K154 S155 E156S24-H91 VanDerWaalsContact OG-CA 3.28Å; S24-H91 WeakPolarHBondContact OG-CA 3.3Å; W25-H91 AromaticContact CD1-CD2 3.85Å; W25-H91 AromaticContact CD2-CD2 3.46Å; W25-H91 VanDerWaalsContact CD2-CD2 3.46Å; W25-H91 AromaticContact CE2-CD2 3.79Å; W25-H91 AromaticContact CE3-CD2 3.86Å; W25-H91 AromaticContact CG-CD2 3.52Å; W25-H91 AromaticContact NE1-CD2 3.99Å; E89-H91 PolarHBondContact O-N 3.18Å; H91-G93 WeakPolarHBondContact ND1-CA 3.49Å; H91-G93 PolarHBondContact ND1-N 2.69Å; H91-G93 PolarHBondContact O-N 3.41Å; H91-Y137 AromaticContact NE2-CZ 3.94Å; H91-Y137 PolarHBondContact NE2-OH 2.99Å; H91-P153 PolarHBondContact CD2-O 3.33Å; H91-K154 PolarHBondContact CE1-O 3.45Å; H91-K154 VanDerWaalsContact ND1-C 3.34Å; H91-K154 PolarHBondContact ND1-O 2.85Å; H91-S155 CarbonylContact O-C 3.54Å; H91-S155 WeakPolarHBondContact O-CA 2.98Å; H91-E156 HydrophobicContact CB-CB 4.15Å; H91-E156 HydrophobicContact CB-CG 3.77Å; H91-E156 WeakPolarHBondContact CB-OE2 3.42Å; H91-E156 PolarHBondContact N-OE2 3.48Å; H91-E156 PolarHBondContact O-N 3.28Å
92Y97.8Very high95.6Very high14 Ų1426.9 Ų26.96%0.05514%0.142CC..  trans-81.4-2.7-177.6-88.8-79.8000113.6F22 S24 R90 A94 L95 P123 N190F22-Y92 HydrophobicContact CB-CG 4.49Å; F22-Y92 AromaticContact CD1-CD1 3.59Å; F22-Y92 HydrophobicContact CD1-CD1 3.59Å; F22-Y92 HydrophobicContact CD1-CD2 4.06Å; F22-Y92 AromaticContact CD1-CE1 3.47Å; F22-Y92 HydrophobicContact CD1-CE1 3.47Å; F22-Y92 VanDerWaalsContact CD1-CE1 3.47Å; F22-Y92 AromaticContact CD1-CE2 3.96Å; F22-Y92 HydrophobicContact CD1-CE2 3.96Å; F22-Y92 AromaticContact CD1-CG 3.88Å; F22-Y92 HydrophobicContact CD1-CG 3.88Å; F22-Y92 AromaticContact CD1-CZ 3.67Å; F22-Y92 AromaticContact CE1-CD1 3.81Å; F22-Y92 HydrophobicContact CE1-CD1 3.81Å; F22-Y92 AromaticContact CE1-CE1 3.33Å; F22-Y92 HydrophobicContact CE1-CE1 3.33Å; F22-Y92 HydrophobicContact CE1-CE2 4.47Å; F22-Y92 AromaticContact CE1-CZ 3.72Å; F22-Y92 HydrophobicContact CG-CD1 4.37Å; F22-Y92 HydrophobicContact CG-CG 4.46Å; F22-Y92 HydrophobicContact CZ-CE1 4.38Å; S24-Y92 PolarHBondContact OG-N 2.85Å; R90-Y92 VanDerWaalsContact NH1-CD1 3.26Å; R90-Y92 PolarHBondContact O-N 3.32Å; Y92-A94 PolarHBondContact O-N 2.85Å; Y92-L95 HydrophobicContact CD1-CD1 4.3Å; Y92-L95 WeakPolarHBondContact O-CB 3.38Å; Y92-L95 PolarHBondContact O-N 3.42Å; Y92-L95 VanDerWaalsContact O-N 3.15Å; Y92-P123 HydrophobicContact CD1-CG 4.42Å; Y92-P123 VanDerWaalsContact O-CB 3.27Å; Y92-P123 WeakPolarHBondContact O-CB 3.44Å; Y92-N190 PolarHBondContact OH-ND2 3.01Å; Y92-N190 VanDerWaalsContact OH-ND2 3.08Å
93G97.8Very high95Very high0 Ų024.7 Ų24.70%013%0.128CC..G310 helixtrans62.1-131.3174.800000112.7H91 L95 I96 P124 K154H91-G93 WeakPolarHBondContact ND1-CA 3.49Å; H91-G93 PolarHBondContact ND1-N 2.69Å; H91-G93 PolarHBondContact O-N 3.41Å; G93-L95 PolarHBondContact O-N 3.42Å; G93-L95 VanDerWaalsContact O-N 3.15Å; G93-I96 WeakPolarHBondContact O-CB 2.96Å; G93-I96 WeakPolarHBondContact O-CD1 3.23Å; G93-I96 WeakPolarHBondContact O-CG1 3.49Å; G93-I96 PolarHBondContact O-N 3.32Å; G93-I96 VanDerWaalsContact O-N 3.17Å; G93-P124 CarbonylContact C-O 3.59Å; G93-P124 WeakPolarHBondContact CA-O 3.42Å; G93-K154 WeakPolarHBondContact CA-O 3.19Å
94A96.3Very high94.4Very high33 Ų3320.7 Ų20.727%0.27311%0.111SC..G310 helixtrans-66.7-10.4179.200000113.8Y92 I96 P124 H130Y92-A94 PolarHBondContact O-N 2.85Å; A94-I96 PolarHBondContact O-N 3.1Å; A94-P124 HydrophobicContact CB-CB 4.12Å; A94-P124 PolarHBondContact N-O 3.42Å; A94-H130 PolarHBondContact O-NE2 3.5Å
95L95Very high93.5Very high7 Ų725.8 Ų25.84%0.03714%0.137CC..G310 helixtrans-78-10.8175.1-56.9-177.3000112.7F22 Y92 G93 G97 L98 M103 W115 P123F22-L95 VanDerWaalsContact CB-O 3.3Å; F22-L95 WeakPolarHBondContact CB-O 3.18Å; F22-L95 HydrophobicContact CD2-CB 4.24Å; F22-L95 WeakPolarHBondContact CD2-O 3.47Å; Y92-L95 HydrophobicContact CD1-CD1 4.3Å; Y92-L95 WeakPolarHBondContact O-CB 3.38Å; Y92-L95 PolarHBondContact O-N 3.42Å; Y92-L95 VanDerWaalsContact O-N 3.15Å; G93-L95 PolarHBondContact O-N 3.42Å; G93-L95 VanDerWaalsContact O-N 3.15Å; L95-G97 PolarHBondContact O-N 3.04Å; L95-L98 HydrophobicContact CD2-CD1 4.1Å; L95-L98 WeakPolarHBondContact O-CB 3.28Å; L95-L98 PolarHBondContact O-N 3.12Å; L95-L98 VanDerWaalsContact O-N 3.13Å; L95-M103 HydrophobicContact CD2-CE 3.78Å; L95-W115 HydrophobicContact CD1-CB 4.11Å; L95-W115 HydrophobicContact CD1-CD2 4.04Å; L95-W115 HydrophobicContact CD1-CE3 4.28Å; L95-W115 HydrophobicContact CD1-CG 3.95Å; L95-P123 HydrophobicContact CD1-CB 3.99Å; L95-P123 HydrophobicContact CG-CB 4.27Å
96I97.4Very high92.7Very high2 Ų231 Ų311%0.0117%0.166CC..THydrogen-bonded Turntrans-58.8128.8-177.8-69.9175.7000110.5W16 V26 G93 A94 L98 H130 Y132 I136W16-I96 HydrophobicContact CZ3-CG2 4.48Å; V26-I96 HydrophobicContact CG2-CG2 3.36Å; G93-I96 WeakPolarHBondContact O-CB 2.96Å; G93-I96 WeakPolarHBondContact O-CD1 3.23Å; G93-I96 WeakPolarHBondContact O-CG1 3.49Å; G93-I96 PolarHBondContact O-N 3.32Å; G93-I96 VanDerWaalsContact O-N 3.17Å; A94-I96 PolarHBondContact O-N 3.1Å; I96-L98 VanDerWaalsContact C-N 3.26Å; I96-L98 PolarHBondContact O-N 3.05Å; I96-H130 PolarHBondContact O-CE1 3.33Å; I96-H130 VanDerWaalsContact O-CE1 3.24Å; I96-H130 PolarHBondContact O-NE2 3.21Å; I96-Y132 HydrophobicContact CG2-CD2 4.13Å; I96-Y132 HydrophobicContact CG2-CG 4.32Å; I96-I136 HydrophobicContact CD1-CD1 3.96Å
97G95.3Very high91.9Very high9 Ų934 Ų349%0.09318%0.181CC..THydrogen-bonded Turntrans82.4-9.418000000115.1W16 R21 F22 L95W16-G97 VanDerWaalsContact CZ3-CA 3.45Å; R21-G97 PolarHBondContact NE-O 3.44Å; R21-G97 PolarHBondContact NH2-O 2.87Å; F22-G97 PolarHBondContact O-N 3Å; L95-G97 PolarHBondContact O-N 3.04Å
98L94Very high91.2Very high69 Ų6935.4 Ų35.436%0.36120%0.196SC..  trans-74.7147174.1-56.1-176.9000111.2R21 F22 L95 I96 M103R21-L98 VanDerWaalsContact CA-O 3.31Å; R21-L98 WeakPolarHBondContact CA-O 3.14Å; F22-L98 HydrophobicContact CD2-CB 4.48Å; F22-L98 WeakPolarHBondContact CD2-O 3.42Å; F22-L98 PolarHBondContact N-O 2.99Å; L95-L98 HydrophobicContact CD2-CD1 4.1Å; L95-L98 WeakPolarHBondContact O-CB 3.28Å; L95-L98 PolarHBondContact O-N 3.12Å; L95-L98 VanDerWaalsContact O-N 3.13Å; I96-L98 VanDerWaalsContact C-N 3.26Å; I96-L98 PolarHBondContact O-N 3.05Å; L98-M103 HydrophobicContact CB-CG 4.07Å; L98-M103 HydrophobicContact CB-SD 4.3Å; L98-M103 HydrophobicContact CD1-CE 4.44Å; L98-M103 HydrophobicContact CD1-CG 4.37Å; L98-M103 HydrophobicContact CD1-SD 3.58Å; L98-M103 VanDerWaalsContact CD1-SD 3.58Å
99N92.6Very high90.5Very high35 Ų3539.2 Ų39.219%0.18721%0.214CC..BIsolated β-bridgetrans-77.5133.5174.4-169.1-66.3000110.5E19 N20 A101 E102 M103E19-N99 PolarHBondContact O-ND2 3.39Å; E19-N99 VanDerWaalsContact O-ND2 3.08Å; N20-N99 WeakPolarHBondContact O-CA 3.34Å; N99-A101 PolarHBondContact O-N 2.88Å; N99-A101 WeakPolarHBondContact OD1-CB 3.21Å; N99-A101 PolarHBondContact OD1-N 3.37Å; N99-E102 HydrophobicContact CB-CB 4.03Å; N99-E102 HydrophobicContact CB-CG 3.82Å; N99-E102 WeakPolarHBondContact CB-OE2 3.46Å; N99-E102 PolarHBondContact O-N 3.38Å; N99-M103 VanDerWaalsContact O-CG 3.3Å; N99-M103 WeakPolarHBondContact O-CG 3.32Å; N99-M103 PolarHBondContact O-N 2.78Å
100R87.2Confident89.9Confident19 Ų1944.1 Ų44.17%0.07224%0.237CC..Hα-helixtrans-66.9-35.8-177.1-58.3-173.5-175.377.46.5113N20 R21 F22 M103 A104N20-R100 WeakPolarHBondContact O-CG 3.44Å; N20-R100 PolarHBondContact O-N 3Å; N20-R100 PolarHBondContact O-NH1 2.89Å; N20-R100 WeakPolarHBondContact OD1-CD 3.4Å; N20-R100 PolarHBondContact OD1-NH1 2.75Å; R21-R100 VanDerWaalsContact O-CZ 3.27Å; R21-R100 PolarHBondContact O-NH1 3.11Å; R21-R100 VanDerWaalsContact O-NH1 3.15Å; R21-R100 PolarHBondContact O-NH2 3.08Å; F22-R100 HydrophobicContact CD1-CG 4.42Å; F22-R100 HydrophobicContact CD2-CG 4.02Å; F22-R100 HydrophobicContact CE1-CG 4.08Å; F22-R100 HydrophobicContact CE2-CB 4.36Å; F22-R100 HydrophobicContact CE2-CG 3.65Å; F22-R100 HydrophobicContact CG-CG 4.39Å; F22-R100 HydrophobicContact CZ-CB 4.48Å; F22-R100 HydrophobicContact CZ-CG 3.69Å; R100-M103 PolarHBondContact O-N 3.19Å; R100-A104 PolarHBondContact O-N 2.7Å
101A83.3Confident89.2Confident27 Ų2747 Ų4722%0.22325%0.251CS..Hα-helixtrans-71.5-39.8179.400000111.2N99 M103 A104 L105N99-A101 PolarHBondContact O-N 2.88Å; N99-A101 WeakPolarHBondContact OD1-CB 3.21Å; N99-A101 PolarHBondContact OD1-N 3.37Å; A101-M103 VanDerWaalsContact C-N 3.33Å; A101-M103 PolarHBondContact O-N 2.86Å; A101-A104 WeakPolarHBondContact O-CB 3.35Å; A101-A104 PolarHBondContact O-N 3.14Å; A101-A104 VanDerWaalsContact O-N 3.15Å; A101-L105 WeakPolarHBondContact O-CG 3.24Å; A101-L105 PolarHBondContact O-N 3.48Å
102E85.1Confident88.5Confident115 Ų11547.1 Ų47.154%0.53725%0.251SS..Hα-helixtrans-63.3-40.7173.7-65.9172179.400111.3N99 A104 L105 N106N99-E102 HydrophobicContact CB-CB 4.03Å; N99-E102 HydrophobicContact CB-CG 3.82Å; N99-E102 WeakPolarHBondContact CB-OE2 3.46Å; N99-E102 PolarHBondContact O-N 3.38Å; E102-A104 VanDerWaalsContact C-N 3.28Å; E102-A104 PolarHBondContact O-N 2.85Å; E102-L105 WeakPolarHBondContact O-CB 3.11Å; E102-L105 PolarHBondContact O-N 2.94Å; E102-N106 WeakPolarHBondContact O-CB 3.34Å; E102-N106 VanDerWaalsContact O-CG 3.29Å; E102-N106 PolarHBondContact O-N 3.06Å; E102-N106 PolarHBondContact O-ND2 2.89Å
103M86.3Confident87.9Confident13 Ų1350.7 Ų50.76%0.06427%0.267CS..Hα-helixtrans-62.4-36.3173.4-71.7-60.3-61.200112.3F22 L95 L98 N99 R100 A101 L105 N106 H107 V112 W115F22-M103 HydrophobicContact CE2-CG 4.4Å; L95-M103 HydrophobicContact CD2-CE 3.78Å; L98-M103 HydrophobicContact CB-CG 4.07Å; L98-M103 HydrophobicContact CB-SD 4.3Å; L98-M103 HydrophobicContact CD1-CE 4.44Å; L98-M103 HydrophobicContact CD1-CG 4.37Å; L98-M103 HydrophobicContact CD1-SD 3.58Å; L98-M103 VanDerWaalsContact CD1-SD 3.58Å; N99-M103 VanDerWaalsContact O-CG 3.3Å; N99-M103 WeakPolarHBondContact O-CG 3.32Å; N99-M103 PolarHBondContact O-N 2.78Å; R100-M103 PolarHBondContact O-N 3.19Å; A101-M103 VanDerWaalsContact C-N 3.33Å; A101-M103 PolarHBondContact O-N 2.86Å; M103-L105 VanDerWaalsContact C-N 3.34Å; M103-N106 PolarHBondContact O-N 2.98Å; M103-H107 WeakPolarHBondContact CE-CD2 3.41Å; M103-H107 WeakPolarHBondContact CE-NE2 3.33Å; M103-H107 WeakPolarHBondContact O-CB 3.4Å; M103-H107 PolarHBondContact O-N 2.64Å; M103-V112 HydrophobicContact CB-CG2 3.78Å; M103-W115 HydrophobicContact CE-CE3 4.21Å; M103-W115 HydrophobicContact CE-CH2 3.98Å; M103-W115 HydrophobicContact CE-CZ3 3.44Å; M103-W115 VanDerWaalsContact CE-CZ3 3.44Å
104A85.3Confident87.3Confident4 Ų454.8 Ų54.83%0.03329%0.286CS..Hα-helixtrans-68.7-35.3177.100000111.6R100 A101 E102 G108 E109 V112 V254R100-A104 PolarHBondContact O-N 2.7Å; A101-A104 WeakPolarHBondContact O-CB 3.35Å; A101-A104 PolarHBondContact O-N 3.14Å; A101-A104 VanDerWaalsContact O-N 3.15Å; E102-A104 VanDerWaalsContact C-N 3.28Å; E102-A104 PolarHBondContact O-N 2.85Å; A104-G108 CarbonylContact O-C 3.41Å; A104-G108 WeakPolarHBondContact O-CA 3.48Å; A104-G108 PolarHBondContact O-N 3Å; A104-E109 HydrophobicContact CB-CG 4.24Å; A104-V112 HydrophobicContact CB-CG2 4.19Å; A104-V254 HydrophobicContact CB-CG2 4.34Å
105L81.1Confident86.8Confident120 Ų12054.6 Ų54.663%0.62828%0.278SS*.Hα-helixtrans-66.5-43.4172.7-70170.6000112.1A101 E102 M103 V254A101-L105 WeakPolarHBondContact O-CG 3.24Å; A101-L105 PolarHBondContact O-N 3.48Å; E102-L105 WeakPolarHBondContact O-CB 3.11Å; E102-L105 PolarHBondContact O-N 2.94Å; M103-L105 VanDerWaalsContact C-N 3.34Å; L105-V254 HydrophobicContact CD2-CG1 3.95Å; L105-V254 HydrophobicContact CD2-CG2 4.1Å
106N80.8Confident86.4Confident121 Ų12155.4 Ų55.465%0.64728%0.281SS*.Hα-helixtrans-81.3-31.3-173.7-66.7-18.2000113.8E102 M103E102-N106 WeakPolarHBondContact O-CB 3.34Å; E102-N106 VanDerWaalsContact O-CG 3.29Å; E102-N106 PolarHBondContact O-N 3.06Å; E102-N106 PolarHBondContact O-ND2 2.89Å; M103-N106 PolarHBondContact O-N 2.98Å
107H81.8Confident85.8Confident101 Ų10156.6 Ų56.647%0.46829%0.285SS..Hα-helixtrans-124.3-3.2-171.5-58.2-81.8000114.1M103 Q111 W115M103-H107 WeakPolarHBondContact CE-CD2 3.41Å; M103-H107 WeakPolarHBondContact CE-NE2 3.33Å; M103-H107 WeakPolarHBondContact O-CB 3.4Å; M103-H107 PolarHBondContact O-N 2.64Å; H107-Q111 HydrophobicContact CB-CB 4.4Å; H107-Q111 HydrophobicContact CB-CG 4.34Å; H107-Q111 VanDerWaalsContact O-CB 3.3Å; H107-Q111 WeakPolarHBondContact O-CB 3.18Å; H107-W115 HydrophobicContact CB-CH2 4.02Å; H107-W115 HydrophobicContact CB-CZ3 3.9Å; H107-W115 AromaticContact CG-CH2 3.89Å
108G84.4Confident85.6Confident32 Ų3257.5 Ų57.533%0.3329%0.29SS..  trans85.9148.4-176.800000113.8A104 E110 Q111 V112A104-G108 CarbonylContact O-C 3.41Å; A104-G108 WeakPolarHBondContact O-CA 3.48Å; A104-G108 PolarHBondContact O-N 3Å; G108-E110 VanDerWaalsContact C-N 3.34Å; G108-E110 PolarHBondContact O-N 2.69Å; G108-Q111 PolarHBondContact O-N 3.34Å; G108-V112 PolarHBondContact O-N 2.88Å
109E84.6Confident85.5Confident81 Ų8155.4 Ų55.438%0.37928%0.278SS..Hα-helixtrans-60.8-39.5-178.5-65.6-168.7167.600112.8A104 Q111 V112 K113 K253 V254A104-E109 HydrophobicContact CB-CG 4.24Å; E109-Q111 PolarHBondContact O-N 3.11Å; E109-V112 PolarHBondContact O-N 2.86Å; E109-K113 VanDerWaalsContact O-CB 3.29Å; E109-K113 WeakPolarHBondContact O-CB 3.28Å; E109-K113 PolarHBondContact O-N 2.78Å; E109-K253 WeakPolarHBondContact OE1-CA 3.48Å; E109-V254 HydrophobicContact CG-CG2 4.19Å; E109-V254 WeakPolarHBondContact OE1-CG2 3.48Å; E109-V254 PolarHBondContact OE1-N 3.14Å
110E85.5Confident85.5Confident121 Ų12157.9 Ų57.957%0.56529%0.291SS*.Hα-helixtrans-63.3-41.9-179.8-73.1-56.5132.300112G108 V112 K113 Q114G108-E110 VanDerWaalsContact C-N 3.34Å; G108-E110 PolarHBondContact O-N 2.69Å; E110-V112 PolarHBondContact O-N 3.44Å; E110-K113 PolarHBondContact O-N 3.05Å; E110-Q114 WeakPolarHBondContact O-CG 3.32Å; E110-Q114 PolarHBondContact O-N 3.37Å
111Q84.3Confident85.8Confident65 Ų6559.2 Ų59.230%0.30430%0.299SS..Hα-helixtrans-65.6-41.5177.5-17260.460.900111.4H107 G108 E109 Q114 W115H107-Q111 HydrophobicContact CB-CB 4.4Å; H107-Q111 HydrophobicContact CB-CG 4.34Å; H107-Q111 VanDerWaalsContact O-CB 3.3Å; H107-Q111 WeakPolarHBondContact O-CB 3.18Å; G108-Q111 PolarHBondContact O-N 3.34Å; E109-Q111 PolarHBondContact O-N 3.11Å; Q111-Q114 PolarHBondContact O-N 2.91Å; Q111-W115 HydrophobicContact CB-CZ3 4.49Å; Q111-W115 HydrophobicContact CG-CD2 4.11Å; Q111-W115 HydrophobicContact CG-CE3 3.96Å; Q111-W115 HydrophobicContact CG-CH2 3.51Å; Q111-W115 HydrophobicContact CG-CZ2 3.68Å; Q111-W115 HydrophobicContact CG-CZ3 3.65Å; Q111-W115 PolarHBondContact O-N 3.48Å
112V83.6Confident86.3Confident1 Ų161 Ų611%0.00631%0.308CS..Hα-helixtrans-66.3-39.6176174.90000111.6M103 A104 G108 E109 E110 W115 R116M103-V112 HydrophobicContact CB-CG2 3.78Å; A104-V112 HydrophobicContact CB-CG2 4.19Å; G108-V112 PolarHBondContact O-N 2.88Å; E109-V112 PolarHBondContact O-N 2.86Å; E110-V112 PolarHBondContact O-N 3.44Å; V112-W115 HydrophobicContact CG2-CE3 4.27Å; V112-W115 HydrophobicContact CG2-CZ3 4.4Å; V112-W115 PolarHBondContact O-N 2.93Å; V112-R116 HydrophobicContact CG1-CG 4.32Å; V112-R116 WeakPolarHBondContact O-CB 3.43Å; V112-R116 VanDerWaalsContact O-CG 3.22Å; V112-R116 WeakPolarHBondContact O-CG 3.47Å; V112-R116 PolarHBondContact O-N 3.25Å
113K84.6Confident86.8Confident89 Ų8955.7 Ų55.739%0.38728%0.283SS..Hα-helixtrans-61.7-44.9174.7-174-179.6178.3-1740110.7E109 E110 R116 R117E109-K113 VanDerWaalsContact O-CB 3.29Å; E109-K113 WeakPolarHBondContact O-CB 3.28Å; E109-K113 PolarHBondContact O-N 2.78Å; E110-K113 PolarHBondContact O-N 3.05Å; K113-R116 PolarHBondContact O-N 2.78Å; K113-R117 WeakPolarHBondContact O-CB 3.32Å; K113-R117 PolarHBondContact O-N 2.84Å
114Q85.4Confident87.1Confident86 Ų8658 Ų5840%0.40230%0.299SS..Hα-helixtrans-60.2-50.1174.1-72.5-178.38.600111.5E110 Q111 R116 R117 S118 L121E110-Q114 WeakPolarHBondContact O-CG 3.32Å; E110-Q114 PolarHBondContact O-N 3.37Å; Q111-Q114 PolarHBondContact O-N 2.91Å; Q114-R116 PolarHBondContact O-N 2.9Å; Q114-R117 PolarHBondContact O-N 3.34Å; Q114-S118 WeakPolarHBondContact O-CB 3.45Å; Q114-S118 PolarHBondContact O-N 3.21Å; Q114-L121 HydrophobicContact CB-CD1 4.31Å
115W85.8Confident87.7Confident30 Ų3061.6 Ų61.611%0.11432%0.322CS..Hα-helixtrans-58.8-33.2176.6-76.6-44.8000113.4R90 L95 M103 H107 Q111 V112 L121R90-W115 PolarHBondContact NH1-O 2.91Å; R90-W115 PolarHBondContact NH2-O 3.38Å; L95-W115 HydrophobicContact CD1-CB 4.11Å; L95-W115 HydrophobicContact CD1-CD2 4.04Å; L95-W115 HydrophobicContact CD1-CE3 4.28Å; L95-W115 HydrophobicContact CD1-CG 3.95Å; M103-W115 HydrophobicContact CE-CE3 4.21Å; M103-W115 HydrophobicContact CE-CH2 3.98Å; M103-W115 HydrophobicContact CE-CZ3 3.44Å; M103-W115 VanDerWaalsContact CE-CZ3 3.44Å; H107-W115 HydrophobicContact CB-CH2 4.02Å; H107-W115 HydrophobicContact CB-CZ3 3.9Å; H107-W115 AromaticContact CG-CH2 3.89Å; Q111-W115 HydrophobicContact CB-CZ3 4.49Å; Q111-W115 HydrophobicContact CG-CD2 4.11Å; Q111-W115 HydrophobicContact CG-CE3 3.96Å; Q111-W115 HydrophobicContact CG-CH2 3.51Å; Q111-W115 HydrophobicContact CG-CZ2 3.68Å; Q111-W115 HydrophobicContact CG-CZ3 3.65Å; Q111-W115 PolarHBondContact O-N 3.48Å; V112-W115 HydrophobicContact CG2-CE3 4.27Å; V112-W115 HydrophobicContact CG2-CZ3 4.4Å; V112-W115 PolarHBondContact O-N 2.93Å; W115-L121 HydrophobicContact CG-CD2 4.15Å
116R85.4Confident88.5Confident24 Ų2456.2 Ų56.29%0.09129%0.293CS..Hα-helixtrans-80.8-37.3-178.6-74.6174.673.5-152.85.9113.1F22 V112 K113 Q114 R193 V248F22-R116 HydrophobicContact CE1-CG 3.81Å; F22-R116 HydrophobicContact CZ-CG 4.01Å; V112-R116 HydrophobicContact CG1-CG 4.32Å; V112-R116 WeakPolarHBondContact O-CB 3.43Å; V112-R116 VanDerWaalsContact O-CG 3.22Å; V112-R116 WeakPolarHBondContact O-CG 3.47Å; V112-R116 PolarHBondContact O-N 3.25Å; K113-R116 PolarHBondContact O-N 2.78Å; Q114-R116 PolarHBondContact O-N 2.9Å; R116-R193 PolarHBondContact O-NH1 3.08Å; R116-V248 PolarHBondContact NH2-O 2.84Å
117R86Confident89.3Confident27 Ų2754.6 Ų54.610%0.10229%0.285CS..Hα-helixtrans-125.1-20.9-161.3-58.3-153.7-177.8-167.4-2.2115.2K113 Q114 R193 V208 T211 E249K113-R117 WeakPolarHBondContact O-CB 3.32Å; K113-R117 PolarHBondContact O-N 2.84Å; Q114-R117 PolarHBondContact O-N 3.34Å; R117-R193 PolarHBondContact O-NH2 3.43Å; R117-V208 HydrophobicContact CB-CB 4.44Å; R117-V208 HydrophobicContact CB-CG1 3.73Å; R117-V208 WeakPolarHBondContact CD-O 3.41Å; R117-V208 PolarHBondContact NH1-O 3.19Å; R117-T211 PolarHBondContact NH1-OG1 3.34Å; R117-T211 PolarHBondContact NH2-OG1 2.84Å; R117-E249 IonicContact CZ-OE1 3.03Å; R117-E249 IonicContact NH1-OE1 3.97Å; R117-E249 PolarHBondContact NH1-OE1 3.11Å; R117-E249 VanDerWaalsContact NH1-OE1 3.13Å; R117-E249 IonicContact NH2-OE1 3.93Å; R117-E249 PolarHBondContact NH2-OE1 3.29Å
118S89.9Confident90Very high28 Ų2858.1 Ų58.120%0.19630%0.299CS..  trans-56.3147.8177.3-179.30000111.5Q114 L121Q114-S118 WeakPolarHBondContact O-CB 3.45Å; Q114-S118 PolarHBondContact O-N 3.21Å; S118-L121 WeakPolarHBondContact OG-CB 3.33Å; S118-L121 PolarHBondContact OG-N 3.35Å
119Y92.8Very high90.6Very high25 Ų2561.5 Ų61.510%0.09832%0.318CS..SBendtrans-73.8-50.6176.9-176.4-123.3000111.7S157 L158 K159 K197 D204 I207Y119-S157 WeakPolarHBondContact O-CB 3.25Å; Y119-L158 HydrophobicContact CD2-CB 4.07Å; Y119-L158 HydrophobicContact CD2-CD2 4.19Å; Y119-L158 HydrophobicContact CD2-CG 4.21Å; Y119-L158 WeakPolarHBondContact O-CB 3.48Å; Y119-L158 PolarHBondContact O-N 3.45Å; Y119-K159 HydrophobicContact CD1-CB 4.34Å; Y119-K159 HydrophobicContact CD2-CB 4.3Å; Y119-K159 HydrophobicContact CE1-CB 3.92Å; Y119-K159 HydrophobicContact CE1-CD 4.19Å; Y119-K159 HydrophobicContact CE1-CG 4.06Å; Y119-K159 HydrophobicContact CE2-CB 3.86Å; Y119-K159 HydrophobicContact CE2-CG 4.49Å; Y119-K159 PolarHBondContact O-N 2.92Å; Y119-K197 HydrophobicContact CD2-CD 3.79Å; Y119-K197 HydrophobicContact CE2-CD 3.5Å; Y119-K197 VanDerWaalsContact CE2-CD 3.5Å; Y119-K197 VanDerWaalsContact CE2-CE 3.42Å; Y119-D204 HydrophobicContact CD1-CB 3.73Å; Y119-D204 WeakPolarHBondContact CD1-OD1 3.45Å; Y119-D204 HydrophobicContact CE1-CB 4.46Å; Y119-D204 VanDerWaalsContact CE1-OD1 3.32Å; Y119-D204 WeakPolarHBondContact CE1-OD1 3.14Å; Y119-D204 HydrophobicContact CG-CB 4.19Å; Y119-I207 HydrophobicContact CD2-CG2 4.46Å
120D93.1Very high91.3Very high87 Ų8759 Ų5947%0.46531%0.306SS..SBendtrans-98.7-15.9-168.1-54.9-50.2000114.2T122 S157D120-T122 PolarHBondContact O-N 3.2Å; D120-S157 WeakPolarHBondContact O-CB 3.36Å
121L92.4Very high91.9Very high47 Ų4758.4 Ų58.425%0.24631%0.313CS..PPolyproline II helixtrans-76.4116.1-171.9-161.3147.7000111R90 Q114 W115 S118R90-L121 PolarHBondContact NH2-O 2.99Å; Q114-L121 HydrophobicContact CB-CD1 4.31Å; W115-L121 HydrophobicContact CG-CD2 4.15Å; S118-L121 WeakPolarHBondContact OG-CB 3.33Å; S118-L121 PolarHBondContact OG-N 3.35Å
122T94.9Very high92.5Very high65 Ų6557.8 Ų57.840%0.39931%0.308SS..PPolyproline II helixtrans-90.6128.1-179.5-55.80000110.1D120 S155 S157D120-T122 PolarHBondContact O-N 3.2Å; T122-S155 WeakPolarHBondContact CG2-OG 3.39Å; T122-S157 WeakPolarHBondContact OG1-CB 3.11Å
123P94Very high93.2Very high3 Ų358.8 Ų58.82%0.01931%0.312CS..PPolyproline II helixtrans-65.4159.3173.5-19.434.3000111.4Y92 L95 S155 E156Y92-P123 HydrophobicContact CD1-CG 4.42Å; Y92-P123 VanDerWaalsContact O-CB 3.27Å; Y92-P123 WeakPolarHBondContact O-CB 3.44Å; L95-P123 HydrophobicContact CD1-CB 3.99Å; L95-P123 HydrophobicContact CG-CB 4.27Å; P123-S155 WeakPolarHBondContact O-CB 3.32Å; P123-S155 PolarHBondContact O-OG 2.95Å; P123-E156 WeakPolarHBondContact CD-O 3.43Å
124P94.1Very high93.8Very high61 Ų6159.3 Ų59.340%0.39632%0.319SS..PPolyproline II helixtrans-55.8136.4171.8-21.632.4000110.8G93 A94G93-P124 CarbonylContact C-O 3.59Å; G93-P124 WeakPolarHBondContact CA-O 3.42Å; A94-P124 HydrophobicContact CB-CB 4.12Å; A94-P124 PolarHBondContact N-O 3.42Å
125P97.5Very high94.4Very high80 Ų8060.1 Ų60.152%0.51932%0.322SS..PPolyproline II helixtrans-66.1147.2-177.327.7-34.7000111.6K154 S155P125-K154 HydrophobicContact CB-CB 3.88Å; P125-S155 WeakPolarHBondContact CA-OG 3.26Å
126I98.1Very high95Very high6 Ų658.9 Ų58.93%0.03132%0.318CS..PPolyproline II helixtrans-71.9141.3169.3-162.9179.2000110H130 F133 I136 Y137 K154I126-H130 HydrophobicContact CD1-CB 3.93Å; I126-H130 WeakPolarHBondContact CD1-ND1 3.17Å; I126-H130 HydrophobicContact CG1-CB 3.41Å; I126-H130 VanDerWaalsContact CG1-CB 3.41Å; I126-H130 VanDerWaalsContact CG1-CG 3.48Å; I126-F133 HydrophobicContact CD1-CB 3.97Å; I126-F133 HydrophobicContact CD1-CD2 4.21Å; I126-F133 HydrophobicContact CG1-CB 4.32Å; I126-F133 HydrophobicContact CG1-CD2 4.05Å; I126-F133 HydrophobicContact CG2-CD2 3.95Å; I126-F133 HydrophobicContact CG2-CE2 4.31Å; I126-I136 HydrophobicContact CD1-CD1 4.29Å; I126-Y137 HydrophobicContact CG2-CE2 3.77Å; I126-Y137 WeakPolarHBondContact CG2-OH 3.1Å; I126-K154 HydrophobicContact CG2-CB 4.04Å; I126-K154 HydrophobicContact CG2-CD 4.23Å; I126-K154 WeakPolarHBondContact CG2-O 3.38Å; I126-K154 PolarHBondContact N-O 2.66Å
127D96.8Very high95.6Very high88 Ų8858.3 Ų58.347%0.47132%0.316SS..  trans-121.5175.7173.169.940.3000112.1S129 H130 F133D127-S129 PolarHBondContact O-N 3.36Å; D127-S129 WeakPolarHBondContact OD1-CA 3.31Å; D127-S129 VanDerWaalsContact OD1-CB 3.26Å; D127-S129 WeakPolarHBondContact OD1-CB 3.26Å; D127-S129 PolarHBondContact OD1-N 3.21Å; D127-S129 PolarHBondContact OD1-OG 3.38Å; D127-H130 VanDerWaalsContact O-CB 3.26Å; D127-H130 WeakPolarHBondContact O-CB 3.42Å; D127-H130 PolarHBondContact O-N 2.95Å; D127-H130 PolarHBondContact OD1-N 2.89Å; D127-F133 VanDerWaalsContact O-CB 3.22Å; D127-F133 WeakPolarHBondContact O-CB 3.37Å; D127-F133 WeakPolarHBondContact O-CD2 3.28Å; D127-F133 VanDerWaalsContact O-CG 3.3Å; D127-F133 WeakPolarHBondContact O-CG 3.32Å
128K97.2Very high96.1Very high175 Ų17562.4 Ų62.476%0.76134%0.34SS*.THydrogen-bonded Turntrans-63.4-19.2-176.9-66.4-176.9-179.8179.90114.3H130 F133K128-H130 VanDerWaalsContact C-N 3.34Å; K128-F133 HydrophobicContact CB-CD1 4.43Å; K128-F133 HydrophobicContact CB-CE1 4.46Å; K128-F133 HydrophobicContact CG-CD1 4.16Å; K128-F133 HydrophobicContact CG-CE1 3.72Å; K128-F133 HydrophobicContact CG-CE2 4.44Å; K128-F133 HydrophobicContact CG-CZ 3.87Å
129S97.5Very high96.5Very high103 Ų10363.5 Ų63.572%0.7234%0.343SS*.THydrogen-bonded Turntrans-81.3-17.9177.178.40000112.4D127D127-S129 PolarHBondContact O-N 3.36Å; D127-S129 WeakPolarHBondContact OD1-CA 3.31Å; D127-S129 VanDerWaalsContact OD1-CB 3.26Å; D127-S129 WeakPolarHBondContact OD1-CB 3.26Å; D127-S129 PolarHBondContact OD1-N 3.21Å; D127-S129 PolarHBondContact OD1-OG 3.38Å
130H98.2Very high96.7Very high27 Ų2772 Ų7213%0.12538%0.375CS..SBendtrans-65.9135.3-178.9-170.5-88.7000111.7A94 I96 I126 D127 K128 Y132 F133A94-H130 PolarHBondContact O-NE2 3.5Å; I96-H130 PolarHBondContact O-CE1 3.33Å; I96-H130 VanDerWaalsContact O-CE1 3.24Å; I96-H130 PolarHBondContact O-NE2 3.21Å; I126-H130 HydrophobicContact CD1-CB 3.93Å; I126-H130 WeakPolarHBondContact CD1-ND1 3.17Å; I126-H130 HydrophobicContact CG1-CB 3.41Å; I126-H130 VanDerWaalsContact CG1-CB 3.41Å; I126-H130 VanDerWaalsContact CG1-CG 3.48Å; D127-H130 VanDerWaalsContact O-CB 3.26Å; D127-H130 WeakPolarHBondContact O-CB 3.42Å; D127-H130 PolarHBondContact O-N 2.95Å; D127-H130 PolarHBondContact OD1-N 2.89Å; K128-H130 VanDerWaalsContact C-N 3.34Å; H130-Y132 AromaticContact CE1-CD2 3.73Å; H130-Y132 PolarHBondContact ND1-N 3.38Å; H130-Y132 PolarHBondContact O-N 2.88Å; H130-F133 HydrophobicContact CB-CB 4.31Å; H130-F133 WeakPolarHBondContact O-CB 3.18Å; H130-F133 PolarHBondContact O-N 3.39Å
131P97.8Very high96.9Very high110 Ų11070.5 Ų70.571%0.71436%0.363SS*.THydrogen-bonded Turntrans-54.6-32.6-173-28.634.6000115.1
132Y97.9Very high97.2Very high51 Ų5168.4 Ų68.420%0.235%0.352CS..THydrogen-bonded Turntrans-98.91.3-176.8-60.3-74.6000114.4W16 R21 V26 I96 H130 I136W16-Y132 HydrophobicContact CH2-CD1 4.06Å; W16-Y132 HydrophobicContact CH2-CD2 4.23Å; W16-Y132 AromaticContact CH2-CE1 3.52Å; W16-Y132 HydrophobicContact CH2-CE1 3.52Å; W16-Y132 AromaticContact CH2-CE2 3.69Å; W16-Y132 HydrophobicContact CH2-CE2 3.69Å; W16-Y132 HydrophobicContact CH2-CG 4.4Å; W16-Y132 AromaticContact CH2-CZ 3.31Å; W16-Y132 AromaticContact CZ2-CE1 3.78Å; W16-Y132 HydrophobicContact CZ2-CE1 3.78Å; W16-Y132 HydrophobicContact CZ2-CE2 4.46Å; W16-Y132 AromaticContact CZ2-CZ 3.67Å; W16-Y132 WeakPolarHBondContact CZ2-OH 3.36Å; W16-Y132 HydrophobicContact CZ3-CE2 4.49Å; R21-Y132 PolarHBondContact NH2-OH 3.09Å; V26-Y132 HydrophobicContact CG1-CD1 4.44Å; V26-Y132 HydrophobicContact CG2-CD1 4.15Å; V26-Y132 HydrophobicContact CG2-CG 4.05Å; I96-Y132 HydrophobicContact CG2-CD2 4.13Å; I96-Y132 HydrophobicContact CG2-CG 4.32Å; H130-Y132 AromaticContact CE1-CD2 3.73Å; H130-Y132 PolarHBondContact ND1-N 3.38Å; H130-Y132 PolarHBondContact O-N 2.88Å; Y132-I136 WeakPolarHBondContact O-CG1 3.44Å; Y132-I136 PolarHBondContact O-N 3.25Å
133F98.1Very high97.2Very high22 Ų2268.6 Ų68.610%0.09636%0.356CS..Hα-helixtrans-61.4-51-175.7-178.5-83.8000112I126 D127 K128 H130 E135 I136 Y137 K154I126-F133 HydrophobicContact CD1-CB 3.97Å; I126-F133 HydrophobicContact CD1-CD2 4.21Å; I126-F133 HydrophobicContact CG1-CB 4.32Å; I126-F133 HydrophobicContact CG1-CD2 4.05Å; I126-F133 HydrophobicContact CG2-CD2 3.95Å; I126-F133 HydrophobicContact CG2-CE2 4.31Å; D127-F133 VanDerWaalsContact O-CB 3.22Å; D127-F133 WeakPolarHBondContact O-CB 3.37Å; D127-F133 WeakPolarHBondContact O-CD2 3.28Å; D127-F133 VanDerWaalsContact O-CG 3.3Å; D127-F133 WeakPolarHBondContact O-CG 3.32Å; K128-F133 HydrophobicContact CB-CD1 4.43Å; K128-F133 HydrophobicContact CB-CE1 4.46Å; K128-F133 HydrophobicContact CG-CD1 4.16Å; K128-F133 HydrophobicContact CG-CE1 3.72Å; K128-F133 HydrophobicContact CG-CE2 4.44Å; K128-F133 HydrophobicContact CG-CZ 3.87Å; H130-F133 HydrophobicContact CB-CB 4.31Å; H130-F133 WeakPolarHBondContact O-CB 3.18Å; H130-F133 PolarHBondContact O-N 3.39Å; F133-E135 PolarHBondContact O-N 2.85Å; F133-I136 PolarHBondContact O-N 3.39Å; F133-Y137 HydrophobicContact CD1-CD2 4.01Å; F133-Y137 AromaticContact CD2-CD2 3.66Å; F133-Y137 HydrophobicContact CD2-CD2 3.66Å; F133-Y137 AromaticContact CD2-CE2 3.62Å; F133-Y137 HydrophobicContact CD2-CE2 3.62Å; F133-Y137 AromaticContact CE1-CD2 3.87Å; F133-Y137 HydrophobicContact CE1-CD2 3.87Å; F133-Y137 HydrophobicContact CE1-CG 4.47Å; F133-Y137 AromaticContact CE2-CD2 3.54Å; F133-Y137 HydrophobicContact CE2-CD2 3.54Å; F133-Y137 AromaticContact CE2-CE2 3.54Å; F133-Y137 HydrophobicContact CE2-CE2 3.54Å; F133-Y137 AromaticContact CG-CD2 3.9Å; F133-Y137 HydrophobicContact CG-CD2 3.9Å; F133-Y137 HydrophobicContact CG-CE2 4.26Å; F133-Y137 AromaticContact CZ-CD2 3.64Å; F133-Y137 HydrophobicContact CZ-CD2 3.64Å; F133-Y137 HydrophobicContact CZ-CE2 4.09Å; F133-Y137 HydrophobicContact CZ-CG 4.3Å; F133-Y137 VanDerWaalsContact O-CD2 3.26Å; F133-Y137 WeakPolarHBondContact O-CD2 3.29Å; F133-Y137 PolarHBondContact O-N 2.95Å; F133-K154 HydrophobicContact CE2-CD 4.37Å
134L97.4Very high97.1Very high101 Ų10173.3 Ų73.353%0.52939%0.385SS..Hα-helixtrans-66.1-39.3-176.6-65.9177.1000111.8I136 N138L134-I136 VanDerWaalsContact C-N 3.29Å; L134-I136 PolarHBondContact O-N 2.72Å; L134-N138 WeakPolarHBondContact O-CB 2.95Å; L134-N138 PolarHBondContact O-N 3.13Å
135E97.6Very high97.2Very high102 Ų10271.7 Ų71.748%0.47738%0.375SS..Hα-helixtrans-59.2-41.2176.5-173.3-173.8131.200111.6V26 F133V26-E135 WeakPolarHBondContact CG1-OE1 3.33Å; F133-E135 PolarHBondContact O-N 2.85Å
136I97.9Very high97.1Very high4 Ų472.8 Ų72.82%0.02138%0.376CS..Hα-helixtrans-70.2-58.1178.4-65.3167.5000110.6W25 V26 I96 I126 Y132 F133 L134 Y142W25-I136 HydrophobicContact CB-CD1 4.14Å; W25-I136 HydrophobicContact CB-CG1 4.41Å; W25-I136 HydrophobicContact CB-CG2 4.09Å; W25-I136 HydrophobicContact CE3-CG2 4.13Å; V26-I136 HydrophobicContact CG2-CD1 4.15Å; V26-I136 HydrophobicContact CG2-CG1 4.47Å; I96-I136 HydrophobicContact CD1-CD1 3.96Å; I126-I136 HydrophobicContact CD1-CD1 4.29Å; Y132-I136 WeakPolarHBondContact O-CG1 3.44Å; Y132-I136 PolarHBondContact O-N 3.25Å; F133-I136 PolarHBondContact O-N 3.39Å; L134-I136 VanDerWaalsContact C-N 3.29Å; L134-I136 PolarHBondContact O-N 2.72Å; I136-Y142 HydrophobicContact CG2-CE2 4.2Å; I136-Y142 WeakPolarHBondContact O-CD2 3.38Å; I136-Y142 WeakPolarHBondContact O-CE2 3.4Å
137Y97.3Very high97.1Very high12 Ų1274.7 Ų74.75%0.04739%0.386CS..Hα-helixtrans-85.6-16.4-166.7-62.8-75.2000114.9H91 I126 F133 K149 L152 P153 K154H91-Y137 AromaticContact NE2-CZ 3.94Å; H91-Y137 PolarHBondContact NE2-OH 2.99Å; I126-Y137 HydrophobicContact CG2-CE2 3.77Å; I126-Y137 WeakPolarHBondContact CG2-OH 3.1Å; F133-Y137 HydrophobicContact CD1-CD2 4.01Å; F133-Y137 AromaticContact CD2-CD2 3.66Å; F133-Y137 HydrophobicContact CD2-CD2 3.66Å; F133-Y137 AromaticContact CD2-CE2 3.62Å; F133-Y137 HydrophobicContact CD2-CE2 3.62Å; F133-Y137 AromaticContact CE1-CD2 3.87Å; F133-Y137 HydrophobicContact CE1-CD2 3.87Å; F133-Y137 HydrophobicContact CE1-CG 4.47Å; F133-Y137 AromaticContact CE2-CD2 3.54Å; F133-Y137 HydrophobicContact CE2-CD2 3.54Å; F133-Y137 AromaticContact CE2-CE2 3.54Å; F133-Y137 HydrophobicContact CE2-CE2 3.54Å; F133-Y137 AromaticContact CG-CD2 3.9Å; F133-Y137 HydrophobicContact CG-CD2 3.9Å; F133-Y137 HydrophobicContact CG-CE2 4.26Å; F133-Y137 AromaticContact CZ-CD2 3.64Å; F133-Y137 HydrophobicContact CZ-CD2 3.64Å; F133-Y137 HydrophobicContact CZ-CE2 4.09Å; F133-Y137 HydrophobicContact CZ-CG 4.3Å; F133-Y137 VanDerWaalsContact O-CD2 3.26Å; F133-Y137 WeakPolarHBondContact O-CD2 3.29Å; F133-Y137 PolarHBondContact O-N 2.95Å; Y137-K149 PolarHBondContact O-NZ 2.74Å; Y137-L152 HydrophobicContact CE1-CB 4.14Å; Y137-P153 PolarHBondContact OH-O 2.65Å; Y137-K154 VanDerWaalsContact CD1-NZ 3.34Å; Y137-K154 HydrophobicContact CE1-CD 4Å; Y137-K154 HydrophobicContact CE2-CD 4Å; Y137-K154 VanDerWaalsContact CZ-CD 3.47Å; Y137-K154 VanDerWaalsContact CZ-NZ 3.35Å; Y137-K154 WeakPolarHBondContact OH-CD 3.32Å
138N97.1Very high97.1Very high114 Ų11472.5 Ų72.561%0.6138%0.378SS*.THydrogen-bonded Turntrans-82.3-14.6174-69.2-15.6000113L134 R140L134-N138 WeakPolarHBondContact O-CB 2.95Å; L134-N138 PolarHBondContact O-N 3.13Å; N138-R140 PolarHBondContact O-N 2.87Å
139D97.9Very high96.9Very high50 Ų5066.8 Ų66.827%0.26735%0.353SS..SBendtrans-60.2136.5178.1-167.7-58.5000110.8R141 Y142 K149D139-R141 HydrophobicContact CB-CG 4.34Å; D139-R141 PolarHBondContact O-N 3.33Å; D139-R141 WeakPolarHBondContact OD1-CB 3.31Å; D139-R141 VanDerWaalsContact OD1-CG 3.25Å; D139-R141 WeakPolarHBondContact OD1-CG 3.43Å; D139-R141 IonicContact OD1-CZ 2.84Å; D139-R141 PolarHBondContact OD1-N 3.45Å; D139-R141 IonicContact OD1-NE 3.58Å; D139-R141 PolarHBondContact OD1-NE 2.93Å; D139-R141 IonicContact OD1-NH2 3.14Å; D139-R141 IonicContact OD2-CZ 3Å; D139-R141 VanDerWaalsContact OD2-CZ 3.29Å; D139-R141 IonicContact OD2-NE 2.74Å; D139-R141 PolarHBondContact OD2-NE 2.92Å; D139-R141 IonicContact OD2-NH2 3.18Å; D139-R141 PolarHBondContact OD2-NH2 3.33Å; D139-Y142 HydrophobicContact CB-CD2 4.13Å; D139-Y142 HydrophobicContact CB-CE2 4.44Å; D139-Y142 PolarHBondContact O-N 3.01Å; D139-K149 PolarHBondContact O-NZ 2.73Å
140R97.6Very high96.7Very high204 Ų20468.9 Ų68.977%0.7735%0.351SS*.G310 helixtrans-60.5-32.8-178-178.3179.2170.6-163.3-2.4112N138 Y142 S143N138-R140 PolarHBondContact O-N 2.87Å; R140-Y142 PolarHBondContact O-N 3.01Å; R140-S143 WeakPolarHBondContact O-CB 3.33Å; R140-S143 PolarHBondContact O-N 3.18Å; R140-S143 PolarHBondContact O-OG 3.36Å
141R97.3Very high96.6Very high56 Ų5673.2 Ų73.221%0.21138%0.375CS..G310 helixtrans-55.4-29.3-176.377.4-172.570.7-175.612.4113.3D27 L59 D139 T144 C145D27-R141 IonicContact OD1-NH1 2.62Å; D27-R141 IonicContact OD2-CZ 3.49Å; D27-R141 IonicContact OD2-NH1 3.64Å; D27-R141 PolarHBondContact OD2-NH1 3.43Å; D27-R141 IonicContact OD2-NH2 3.91Å; D27-R141 PolarHBondContact OD2-NH2 3.45Å; L59-R141 HydrophobicContact CD1-CB 4.33Å; L59-R141 HydrophobicContact CD1-CG 4.32Å; L59-R141 PolarHBondContact O-NH1 3.03Å; D139-R141 HydrophobicContact CB-CG 4.34Å; D139-R141 PolarHBondContact O-N 3.33Å; D139-R141 WeakPolarHBondContact OD1-CB 3.31Å; D139-R141 VanDerWaalsContact OD1-CG 3.25Å; D139-R141 WeakPolarHBondContact OD1-CG 3.43Å; D139-R141 IonicContact OD1-CZ 2.84Å; D139-R141 PolarHBondContact OD1-N 3.45Å; D139-R141 IonicContact OD1-NE 3.58Å; D139-R141 PolarHBondContact OD1-NE 2.93Å; D139-R141 IonicContact OD1-NH2 3.14Å; D139-R141 IonicContact OD2-CZ 3Å; D139-R141 VanDerWaalsContact OD2-CZ 3.29Å; D139-R141 IonicContact OD2-NE 2.74Å; D139-R141 PolarHBondContact OD2-NE 2.92Å; D139-R141 IonicContact OD2-NH2 3.18Å; D139-R141 PolarHBondContact OD2-NH2 3.33Å; R141-T144 PolarHBondContact O-OG1 3.03Å; R141-C145 PolarHBondContact O-SG 2.85Å; R141-C145 VanDerWaalsContact O-SG 3.42Å
142Y98.1Very high96.6Very high3 Ų368.1 Ų68.11%0.01234%0.342CS..G310 helixtrans-84.9-9.7179.5-66.5-57.1000113.7W25 N88 I136 D139 R140 T144 K149 L152W25-Y142 AromaticContact CE3-CE1 3.73Å; W25-Y142 HydrophobicContact CE3-CE1 3.73Å; W25-Y142 HydrophobicContact CE3-CE2 4.5Å; W25-Y142 AromaticContact CE3-CZ 3.67Å; W25-Y142 HydrophobicContact CH2-CE1 4.41Å; W25-Y142 HydrophobicContact CZ3-CD1 4.11Å; W25-Y142 AromaticContact CZ3-CE1 3.55Å; W25-Y142 HydrophobicContact CZ3-CE1 3.55Å; W25-Y142 AromaticContact CZ3-CZ 3.99Å; N88-Y142 PolarHBondContact ND2-OH 3.42Å; I136-Y142 HydrophobicContact CG2-CE2 4.2Å; I136-Y142 WeakPolarHBondContact O-CD2 3.38Å; I136-Y142 WeakPolarHBondContact O-CE2 3.4Å; D139-Y142 HydrophobicContact CB-CD2 4.13Å; D139-Y142 HydrophobicContact CB-CE2 4.44Å; D139-Y142 PolarHBondContact O-N 3.01Å; R140-Y142 PolarHBondContact O-N 3.01Å; Y142-T144 VanDerWaalsContact C-N 3.34Å; Y142-K149 WeakPolarHBondContact O-CG 3.35Å; Y142-L152 HydrophobicContact CD1-CD1 3.76Å; Y142-L152 HydrophobicContact CD1-CD2 4.39Å; Y142-L152 HydrophobicContact CG-CD1 3.86Å
143S94.9Very high96.6Very high69 Ų6967 Ų6748%0.48334%0.341SS..G310 helixtrans-85.3-10.5174-14.50000112.8R140 K149R140-S143 WeakPolarHBondContact O-CB 3.33Å; R140-S143 PolarHBondContact O-N 3.18Å; R140-S143 PolarHBondContact O-OG 3.36Å; S143-K149 VanDerWaalsContact N-CE 3.35Å; S143-K149 WeakPolarHBondContact OG-CE 3.46Å; S143-K149 PolarHBondContact OG-NZ 2.95Å
144T92.1Very high96.6Very high102 Ų10268.8 Ų68.863%0.62635%0.348SS*.SBendtrans-115.316.2-176.561.40000111.9R141 Y142R141-T144 PolarHBondContact O-OG1 3.03Å; Y142-T144 VanDerWaalsContact C-N 3.34Å
145C96.5Very high96.7Very high26 Ų2665 Ų6518%0.17633%0.331CS..SBendtrans-75.1166.7174.9-69.20000110.4W85 R141 I147W85-C145 HydrophobicContact CG-CB 4.43Å; R141-C145 PolarHBondContact O-SG 2.85Å; R141-C145 VanDerWaalsContact O-SG 3.42Å; C145-I147 HydrophobicContact CB-CG1 4.46Å; C145-I147 PolarHBondContact O-N 2.84Å
146D96.9Very high96.7Very high103 Ų10360.3 Ų60.355%0.55131%0.309SS*.SBendtrans-76.25.4174.163.7-25000113.4W85 R86W85-D146 PolarHBondContact NE1-OD1 3.07Å; R86-D146 IonicContact CZ-OD2 3.6Å; R86-D146 IonicContact NE-OD1 2.74Å; R86-D146 IonicContact NE-OD2 3.13Å; R86-D146 PolarHBondContact NE-OD2 3.48Å; R86-D146 IonicContact NH2-OD1 3.29Å; R86-D146 IonicContact NH2-OD2 2.74Å; R86-D146 PolarHBondContact NH2-OD2 3.4Å
147I96.8Very high96.7Very high46 Ų4660.2 Ų60.224%0.23631%0.308CS..SBendtrans-134.3161.5171.863.1164.6000109.8W85 C145 D151 L152W85-I147 HydrophobicContact CH2-CD1 3.65Å; W85-I147 HydrophobicContact CZ2-CD1 3.29Å; W85-I147 HydrophobicContact CZ2-CG1 3.77Å; W85-I147 HydrophobicContact CZ2-CG2 4.46Å; C145-I147 HydrophobicContact CB-CG1 4.46Å; C145-I147 PolarHBondContact O-N 2.84Å; I147-D151 HydrophobicContact CB-CB 4.44Å; I147-D151 HydrophobicContact CD1-CB 4.25Å; I147-L152 HydrophobicContact CD1-CD2 3.74Å; I147-L152 HydrophobicContact CD1-CG 4.09Å; I147-L152 HydrophobicContact CG1-CD2 4.1Å; I147-L152 HydrophobicContact CG1-CG 4.42Å
148S96.1Very high96.7Very high43 Ų4359.7 Ų59.730%0.30131%0.306SS..  trans-67.6161.7176.779.80000111.8E150 D151 L152S148-E150 WeakPolarHBondContact CB-OE2 3.41Å; S148-E150 PolarHBondContact O-N 3.17Å; S148-E150 PolarHBondContact OG-N 3.28Å; S148-E150 PolarHBondContact OG-OE2 2.84Å; S148-D151 WeakPolarHBondContact CB-OD2 3.33Å; S148-D151 PolarHBondContact O-N 2.96Å; S148-D151 WeakPolarHBondContact OG-CB 3.3Å; S148-D151 PolarHBondContact OG-N 3.03Å; S148-D151 VanDerWaalsContact OG-N 3.14Å; S148-D151 PolarHBondContact OG-OD2 2.83Å; S148-L152 PolarHBondContact O-N 3.46Å
149K93.8Very high96.8Very high54 Ų5458.1 Ų58.124%0.23529%0.294CS..THydrogen-bonded Turntrans-65.9-30.5176.4-83.7-172.8165-173.40112.2Y137 D139 Y142 S143 D151 L152Y137-K149 PolarHBondContact O-NZ 2.74Å; D139-K149 PolarHBondContact O-NZ 2.73Å; Y142-K149 WeakPolarHBondContact O-CG 3.35Å; S143-K149 VanDerWaalsContact N-CE 3.35Å; S143-K149 WeakPolarHBondContact OG-CE 3.46Å; S143-K149 PolarHBondContact OG-NZ 2.95Å; K149-D151 VanDerWaalsContact C-N 3.33Å; K149-L152 PolarHBondContact O-N 3.07Å
150E93.6Very high96.8Very high148 Ų14858.2 Ų58.269%0.69230%0.295SS*.THydrogen-bonded Turntrans-68.9-36.2-179.9-64.366.8-148.300110.6S148 L152S148-E150 WeakPolarHBondContact CB-OE2 3.41Å; S148-E150 PolarHBondContact O-N 3.17Å; S148-E150 PolarHBondContact OG-N 3.28Å; S148-E150 PolarHBondContact OG-OE2 2.84Å; E150-L152 VanDerWaalsContact C-N 3.35Å
151D96.3Very high96.8Very high117 Ų11748.5 Ų48.563%0.62626%0.258SS*.THydrogen-bonded Turntrans-82.5-8.7179.8-59.9-40.3000113.6I147 S148 K149I147-D151 HydrophobicContact CB-CB 4.44Å; I147-D151 HydrophobicContact CD1-CB 4.25Å; S148-D151 WeakPolarHBondContact CB-OD2 3.33Å; S148-D151 PolarHBondContact O-N 2.96Å; S148-D151 WeakPolarHBondContact OG-CB 3.3Å; S148-D151 PolarHBondContact OG-N 3.03Å; S148-D151 VanDerWaalsContact OG-N 3.14Å; S148-D151 PolarHBondContact OG-OD2 2.83Å; K149-D151 VanDerWaalsContact C-N 3.33Å
152L97.8Very high96.9Very high3 Ų346.5 Ų46.52%0.01625%0.251CS..SBendtrans-64.6136.8174.3-73.9165.6000110.8W25 W85 Y137 Y142 I147 S148 K149 E150 K154W25-L152 HydrophobicContact CH2-CD2 3.79Å; W25-L152 HydrophobicContact CZ3-CB 4.41Å; W25-L152 HydrophobicContact CZ3-CD2 3.92Å; W85-L152 HydrophobicContact CD2-CD2 3.95Å; W85-L152 HydrophobicContact CE3-CD2 3.95Å; W85-L152 HydrophobicContact CG-CD2 4.41Å; W85-L152 HydrophobicContact CZ3-CD2 4.27Å; Y137-L152 HydrophobicContact CE1-CB 4.14Å; Y142-L152 HydrophobicContact CD1-CD1 3.76Å; Y142-L152 HydrophobicContact CD1-CD2 4.39Å; Y142-L152 HydrophobicContact CG-CD1 3.86Å; I147-L152 HydrophobicContact CD1-CD2 3.74Å; I147-L152 HydrophobicContact CD1-CG 4.09Å; I147-L152 HydrophobicContact CG1-CD2 4.1Å; I147-L152 HydrophobicContact CG1-CG 4.42Å; S148-L152 PolarHBondContact O-N 3.46Å; K149-L152 PolarHBondContact O-N 3.07Å; E150-L152 VanDerWaalsContact C-N 3.35Å; L152-K154 PolarHBondContact O-NZ 2.97Å
153P98.1Very high96.9Very high27 Ų2751.5 Ų51.518%0.17528%0.275CS..  trans-61.9144.9-172.926.3-35.7000111.9W25 W85 H91 Y137 E156W25-P153 HydrophobicContact CH2-CG 3.75Å; W25-P153 HydrophobicContact CZ2-CG 3.76Å; W85-P153 HydrophobicContact CZ3-CG 4.29Å; H91-P153 PolarHBondContact CD2-O 3.33Å; Y137-P153 PolarHBondContact OH-O 2.65Å; P153-E156 HydrophobicContact CB-CG 3.63Å; P153-E156 HydrophobicContact CG-CG 3.85Å
154K98.4Very high97Very high60 Ų6049 Ų4926%0.26126%0.255SS..SBendtrans-97.8-16.5171.8-54.7-46.2-178.2-153.90112.7H91 G93 P125 I126 F133 Y137 L152H91-K154 PolarHBondContact CE1-O 3.45Å; H91-K154 VanDerWaalsContact ND1-C 3.34Å; H91-K154 PolarHBondContact ND1-O 2.85Å; G93-K154 WeakPolarHBondContact CA-O 3.19Å; P125-K154 HydrophobicContact CB-CB 3.88Å; I126-K154 HydrophobicContact CG2-CB 4.04Å; I126-K154 HydrophobicContact CG2-CD 4.23Å; I126-K154 WeakPolarHBondContact CG2-O 3.38Å; I126-K154 PolarHBondContact N-O 2.66Å; F133-K154 HydrophobicContact CE2-CD 4.37Å; Y137-K154 VanDerWaalsContact CD1-NZ 3.34Å; Y137-K154 HydrophobicContact CE1-CD 4Å; Y137-K154 HydrophobicContact CE2-CD 4Å; Y137-K154 VanDerWaalsContact CZ-CD 3.47Å; Y137-K154 VanDerWaalsContact CZ-NZ 3.35Å; Y137-K154 WeakPolarHBondContact OH-CD 3.32Å; L152-K154 PolarHBondContact O-NZ 2.97Å
155S98.3Very high97.4Very high22 Ų2244.2 Ų44.215%0.15423%0.226CC..SBendtrans-161.8158.5164.351.30000107.7H91 T122 P123 P125H91-S155 CarbonylContact O-C 3.54Å; H91-S155 WeakPolarHBondContact O-CA 2.98Å; T122-S155 WeakPolarHBondContact CG2-OG 3.39Å; P123-S155 WeakPolarHBondContact O-CB 3.32Å; P123-S155 PolarHBondContact O-OG 2.95Å; P125-S155 WeakPolarHBondContact CA-OG 3.26Å
156E98.5Very high97.4Very high3 Ų346.3 Ų46.31%0.01423%0.233CC..  trans-136.8138.3178.6-68175.9124.200108.4R90 H91 P123 P153 D160 V161 R164R90-E156 HydrophobicContact CG-CB 4.06Å; R90-E156 WeakPolarHBondContact CG-O 3.03Å; R90-E156 VanDerWaalsContact CZ-O 3.25Å; R90-E156 PolarHBondContact NE-O 2.75Å; H91-E156 HydrophobicContact CB-CB 4.15Å; H91-E156 HydrophobicContact CB-CG 3.77Å; H91-E156 WeakPolarHBondContact CB-OE2 3.42Å; H91-E156 PolarHBondContact N-OE2 3.48Å; H91-E156 PolarHBondContact O-N 3.28Å; P123-E156 WeakPolarHBondContact CD-O 3.43Å; P153-E156 HydrophobicContact CB-CG 3.63Å; P153-E156 HydrophobicContact CG-CG 3.85Å; E156-D160 HydrophobicContact CB-CB 3.99Å; E156-D160 HydrophobicContact CG-CB 4.2Å; E156-V161 HydrophobicContact CB-CG2 3.98Å; E156-R164 IonicContact OE1-CZ 3.08Å; E156-R164 IonicContact OE1-NE 2.75Å; E156-R164 PolarHBondContact OE1-NE 3.25Å; E156-R164 IonicContact OE1-NH2 2.75Å; E156-R164 PolarHBondContact OE1-NH2 3.12Å; E156-R164 IonicContact OE2-CZ 2.75Å; E156-R164 IonicContact OE2-NE 3.19Å; E156-R164 IonicContact OE2-NH2 2.75Å; E156-R164 PolarHBondContact OE2-NH2 3.45Å
157S97.8Very high97.4Very high2 Ų244.8 Ų44.81%0.01423%0.228CC..  trans-72.1177.4153.164.30000110.6Y119 D120 T122 K159 D160 V161Y119-S157 WeakPolarHBondContact O-CB 3.25Å; D120-S157 WeakPolarHBondContact O-CB 3.36Å; T122-S157 WeakPolarHBondContact OG1-CB 3.11Å; S157-K159 VanDerWaalsContact C-N 3.26Å; S157-K159 PolarHBondContact OG-N 2.78Å; S157-D160 WeakPolarHBondContact CB-OD2 3.44Å; S157-D160 PolarHBondContact N-OD2 3.26Å; S157-D160 PolarHBondContact OG-N 3.12Å; S157-D160 PolarHBondContact OG-OD1 3.15Å; S157-D160 PolarHBondContact OG-OD2 3.48Å; S157-V161 VanDerWaalsContact O-CG2 3.3Å; S157-V161 WeakPolarHBondContact O-CG2 3.41Å; S157-V161 PolarHBondContact O-N 3.03Å
158L97.6Very high97.5Very high1 Ų143.6 Ų43.61%0.00522%0.221CC..Hα-helixtrans-71.8-28171.8-170.966.9000111.2Y119 V161 L162 N190 R193 A194 I207Y119-L158 HydrophobicContact CD2-CB 4.07Å; Y119-L158 HydrophobicContact CD2-CD2 4.19Å; Y119-L158 HydrophobicContact CD2-CG 4.21Å; Y119-L158 WeakPolarHBondContact O-CB 3.48Å; Y119-L158 PolarHBondContact O-N 3.45Å; L158-V161 WeakPolarHBondContact O-CB 3.15Å; L158-L162 PolarHBondContact O-N 2.96Å; L158-L162 VanDerWaalsContact O-N 3.13Å; L158-N190 HydrophobicContact CD1-CB 3.89Å; L158-N190 VanDerWaalsContact CD1-O 3.28Å; L158-N190 WeakPolarHBondContact CD1-O 3.37Å; L158-R193 HydrophobicContact CD1-CB 4.45Å; L158-A194 HydrophobicContact CD1-CB 3.91Å; L158-A194 HydrophobicContact CG-CB 4.37Å; L158-I207 HydrophobicContact CD2-CG1 3.66Å; L158-I207 HydrophobicContact CD2-CG2 4.25Å
159K98Very high97.6Very high82 Ų8241.7 Ų41.736%0.35721%0.207SC..Hα-helixtrans-61.8-50.1171.4-179.5179.1174.6-174.70111.6Y119 S157 V161 L162 E163Y119-K159 HydrophobicContact CD1-CB 4.34Å; Y119-K159 HydrophobicContact CD2-CB 4.3Å; Y119-K159 HydrophobicContact CE1-CB 3.92Å; Y119-K159 HydrophobicContact CE1-CD 4.19Å; Y119-K159 HydrophobicContact CE1-CG 4.06Å; Y119-K159 HydrophobicContact CE2-CB 3.86Å; Y119-K159 HydrophobicContact CE2-CG 4.49Å; Y119-K159 PolarHBondContact O-N 2.92Å; S157-K159 VanDerWaalsContact C-N 3.26Å; S157-K159 PolarHBondContact OG-N 2.78Å; K159-V161 VanDerWaalsContact C-N 3.26Å; K159-V161 PolarHBondContact O-N 2.96Å; K159-L162 WeakPolarHBondContact O-CA 3.34Å; K159-L162 WeakPolarHBondContact O-CB 3.48Å; K159-L162 PolarHBondContact O-N 3.11Å; K159-E163 WeakPolarHBondContact CE-OE1 3.42Å; K159-E163 WeakPolarHBondContact O-CG 3.46Å; K159-E163 PolarHBondContact O-N 3.05Å
160D98.5Very high97.7Very high52 Ų5242.7 Ų42.728%0.27822%0.215SC..Hα-helixtrans-60-39.1179-54.9-40000111.3E156 S157 L162 E163 R164E156-D160 HydrophobicContact CB-CB 3.99Å; E156-D160 HydrophobicContact CG-CB 4.2Å; S157-D160 WeakPolarHBondContact CB-OD2 3.44Å; S157-D160 PolarHBondContact N-OD2 3.26Å; S157-D160 PolarHBondContact OG-N 3.12Å; S157-D160 PolarHBondContact OG-OD1 3.15Å; S157-D160 PolarHBondContact OG-OD2 3.48Å; D160-L162 VanDerWaalsContact C-N 3.32Å; D160-L162 PolarHBondContact O-N 3.34Å; D160-E163 PolarHBondContact O-N 3.1Å; D160-R164 VanDerWaalsContact O-CG 3.3Å; D160-R164 WeakPolarHBondContact O-CG 3.43Å; D160-R164 PolarHBondContact O-N 3.48Å; D160-R164 VanDerWaalsContact O-N 3.1Å
161V98.6Very high97.9Very high0 Ų038.2 Ų38.20%021%0.209CC..Hα-helixtrans-57.3-46.1173.3170.90000110.9R90 E156 S157 L158 K159 L165 A194R90-V161 HydrophobicContact CB-CG2 3.71Å; R90-V161 HydrophobicContact CG-CG2 3.83Å; E156-V161 HydrophobicContact CB-CG2 3.98Å; S157-V161 VanDerWaalsContact O-CG2 3.3Å; S157-V161 WeakPolarHBondContact O-CG2 3.41Å; S157-V161 PolarHBondContact O-N 3.03Å; L158-V161 WeakPolarHBondContact O-CB 3.15Å; K159-V161 VanDerWaalsContact C-N 3.26Å; K159-V161 PolarHBondContact O-N 2.96Å; V161-L165 WeakPolarHBondContact O-CB 3.27Å; V161-L165 PolarHBondContact O-N 3.01Å; V161-A194 HydrophobicContact CB-CB 4.35Å; V161-A194 HydrophobicContact CG1-CB 3.67Å
162L98Very high98Very high13 Ų1335.1 Ų35.17%0.06819%0.194CC..Hα-helixtrans-66-42.1178.5-17956.2000111.4L158 K159 D160 R164 L165 Q166 A194 H198L158-L162 PolarHBondContact O-N 2.96Å; L158-L162 VanDerWaalsContact O-N 3.13Å; K159-L162 WeakPolarHBondContact O-CA 3.34Å; K159-L162 WeakPolarHBondContact O-CB 3.48Å; K159-L162 PolarHBondContact O-N 3.11Å; D160-L162 VanDerWaalsContact C-N 3.32Å; D160-L162 PolarHBondContact O-N 3.34Å; L162-R164 VanDerWaalsContact C-N 3.3Å; L162-R164 PolarHBondContact O-N 3.08Å; L162-L165 PolarHBondContact O-N 3.02Å; L162-Q166 HydrophobicContact CD1-CB 4.16Å; L162-Q166 VanDerWaalsContact O-CB 3.24Å; L162-Q166 WeakPolarHBondContact O-CB 3.37Å; L162-Q166 PolarHBondContact O-N 3.23Å; L162-A194 HydrophobicContact CB-CB 4.19Å; L162-H198 HydrophobicContact CD1-CB 3.81Å; L162-H198 HydrophobicContact CD2-CB 4.4Å
163E98.3Very high98Very high109 Ų10935 Ų3551%0.50919%0.194SC..Hα-helixtrans-59.2-38.5179.2-71.5-179.817800112.6K159 D160 P167K159-E163 WeakPolarHBondContact CE-OE1 3.42Å; K159-E163 WeakPolarHBondContact O-CG 3.46Å; K159-E163 PolarHBondContact O-N 3.05Å; D160-E163 PolarHBondContact O-N 3.1Å; E163-P167 WeakPolarHBondContact O-CD 3.3Å; E163-P167 WeakPolarHBondContact O-CG 3.41Å
164R98.4Very high97.9Very high16 Ų1634.2 Ų34.26%0.0619%0.188CC..Hα-helixtrans-85.3-22.7175.360.485.5170152-3.1114.7W85 R86 N88 E89 E156 D160 L162W85-R164 HydrophobicContact CH2-CB 3.81Å; W85-R164 HydrophobicContact CH2-CG 4.09Å; W85-R164 HydrophobicContact CZ3-CB 4.28Å; W85-R164 HydrophobicContact CZ3-CG 4.05Å; R86-R164 WeakPolarHBondContact CB-O 3.43Å; R86-R164 VanDerWaalsContact CD-O 3.32Å; R86-R164 WeakPolarHBondContact CD-O 3.28Å; R86-R164 WeakPolarHBondContact CG-O 3.33Å; R86-R164 PolarHBondContact NH1-O 3.26Å; R86-R164 PolarHBondContact O-NH1 3Å; N88-R164 PolarHBondContact O-NH1 3.24Å; N88-R164 PolarHBondContact O-NH2 2.94Å; E89-R164 PolarHBondContact O-NH2 3.42Å; E156-R164 IonicContact OE1-CZ 3.08Å; E156-R164 IonicContact OE1-NE 2.75Å; E156-R164 PolarHBondContact OE1-NE 3.25Å; E156-R164 IonicContact OE1-NH2 2.75Å; E156-R164 PolarHBondContact OE1-NH2 3.12Å; E156-R164 IonicContact OE2-CZ 2.75Å; E156-R164 IonicContact OE2-NE 3.19Å; E156-R164 IonicContact OE2-NH2 2.75Å; E156-R164 PolarHBondContact OE2-NH2 3.45Å; D160-R164 VanDerWaalsContact O-CG 3.3Å; D160-R164 WeakPolarHBondContact O-CG 3.43Å; D160-R164 PolarHBondContact O-N 3.48Å; D160-R164 VanDerWaalsContact O-N 3.1Å; L162-R164 VanDerWaalsContact C-N 3.3Å; L162-R164 PolarHBondContact O-N 3.08Å
165L98.6Very high97.9Very high2 Ų233.7 Ų33.71%0.0119%0.191CC..Hα-helixtrans-83-41179.2-173.8155.3000112.1L87 V161 L162 Y168 W169 L195L87-L165 HydrophobicContact CD2-CD1 4.04Å; L87-L165 HydrophobicContact CD2-CG 4.2Å; V161-L165 WeakPolarHBondContact O-CB 3.27Å; V161-L165 PolarHBondContact O-N 3.01Å; L162-L165 PolarHBondContact O-N 3.02Å; L165-Y168 WeakPolarHBondContact O-CA 3.49Å; L165-Y168 VanDerWaalsContact O-CB 3.31Å; L165-Y168 WeakPolarHBondContact O-CB 3.21Å; L165-Y168 PolarHBondContact O-N 2.98Å; L165-W169 HydrophobicContact CD2-CB 4.24Å; L165-W169 PolarHBondContact O-N 2.94Å; L165-L195 HydrophobicContact CD2-CB 4.16Å; L165-L195 HydrophobicContact CD2-CD1 3.95Å
166Q97.4Very high97.8Very high69 Ų6934.8 Ų34.832%0.32219%0.194SC..Hα-helixtrans-57.8-43.7-174.4-179.1177.3-13.800113.1L162 Y168 W169 D170L162-Q166 HydrophobicContact CD1-CB 4.16Å; L162-Q166 VanDerWaalsContact O-CB 3.24Å; L162-Q166 WeakPolarHBondContact O-CB 3.37Å; L162-Q166 PolarHBondContact O-N 3.23Å; Q166-Y168 PolarHBondContact O-N 3.26Å; Q166-W169 WeakPolarHBondContact O-CB 3.42Å; Q166-W169 PolarHBondContact O-N 3.49Å; Q166-W169 VanDerWaalsContact O-N 3.09Å; Q166-D170 WeakPolarHBondContact CG-OD2 3.5Å; Q166-D170 PolarHBondContact NE2-OD2 3.37Å; Q166-D170 PolarHBondContact O-N 2.88Å
167P97.8Very high97.7Very high71 Ų7134.7 Ų34.746%0.46119%0.193SC..Hα-helixtrans-59.2-32.1174.8-26.435.8000113.7E163 G171E163-P167 WeakPolarHBondContact O-CD 3.3Å; E163-P167 WeakPolarHBondContact O-CG 3.41Å; P167-G171 WeakPolarHBondContact O-CA 3.47Å; P167-G171 PolarHBondContact O-N 3.24Å
168Y98.4Very high97.6Very high21 Ų2140.7 Ų40.78%0.08222%0.219CC..Hα-helixtrans-74.6-39.1175.4-167.3-112.7000112.1F56 V82 S84 R86 L87 L165 Q166 T172 I173F56-Y168 HydrophobicContact CD1-CE1 4.09Å; V82-Y168 WeakPolarHBondContact CG1-OH 3.5Å; S84-Y168 WeakPolarHBondContact CB-OH 3.43Å; R86-Y168 HydrophobicContact CB-CD1 4.49Å; R86-Y168 HydrophobicContact CB-CG 4.06Å; L87-Y168 HydrophobicContact CD1-CD1 4.23Å; L87-Y168 HydrophobicContact CD1-CE1 3.73Å; L87-Y168 HydrophobicContact CD2-CD1 4.29Å; L87-Y168 HydrophobicContact CG-CD1 3.96Å; L87-Y168 HydrophobicContact CG-CE1 3.92Å; L165-Y168 WeakPolarHBondContact O-CA 3.49Å; L165-Y168 VanDerWaalsContact O-CB 3.31Å; L165-Y168 WeakPolarHBondContact O-CB 3.21Å; L165-Y168 PolarHBondContact O-N 2.98Å; Q166-Y168 PolarHBondContact O-N 3.26Å; Y168-T172 HydrophobicContact CE2-CG2 3.92Å; Y168-T172 WeakPolarHBondContact O-CA 3.4Å; Y168-T172 VanDerWaalsContact O-CB 3.27Å; Y168-T172 WeakPolarHBondContact O-CB 3.3Å; Y168-T172 PolarHBondContact O-N 3.12Å; Y168-I173 HydrophobicContact CD1-CD1 3.91Å; Y168-I173 HydrophobicContact CD1-CG1 4.33Å; Y168-I173 HydrophobicContact CE1-CD1 4.02Å; Y168-I173 HydrophobicContact CE1-CG1 4.23Å; Y168-I173 PolarHBondContact O-N 3.15Å
169W97.6Very high97.4Very high3 Ų346.4 Ų46.41%0.01125%0.246CC..Iπ-helixtrans-59.1-55.1172.5170.6-100.7000110.8V6 L165 Q166 I173 V174 I177 I185 L195 H198 L199 L222 F226V6-W169 HydrophobicContact CG1-CH2 4.38Å; V6-W169 HydrophobicContact CG1-CZ3 4.4Å; V6-W169 HydrophobicContact CG2-CH2 4.43Å; L165-W169 HydrophobicContact CD2-CB 4.24Å; L165-W169 PolarHBondContact O-N 2.94Å; Q166-W169 WeakPolarHBondContact O-CB 3.42Å; Q166-W169 PolarHBondContact O-N 3.49Å; Q166-W169 VanDerWaalsContact O-N 3.09Å; W169-I173 HydrophobicContact CE3-CB 3.87Å; W169-I173 HydrophobicContact CE3-CD1 4.03Å; W169-I173 HydrophobicContact CE3-CG2 3.62Å; W169-I173 HydrophobicContact CH2-CG2 4.33Å; W169-I173 HydrophobicContact CZ3-CB 4.28Å; W169-I173 HydrophobicContact CZ3-CG2 3.5Å; W169-I173 PolarHBondContact O-N 3.02Å; W169-I173 VanDerWaalsContact O-N 3.15Å; W169-V174 HydrophobicContact CD2-CG2 4.09Å; W169-V174 VanDerWaalsContact CE2-CG2 3.49Å; W169-V174 HydrophobicContact CG-CG2 4.27Å; W169-V174 HydrophobicContact CZ2-CG2 3.85Å; W169-V174 WeakPolarHBondContact O-CB 3.47Å; W169-V174 WeakPolarHBondContact O-CG2 3.46Å; W169-V174 PolarHBondContact O-N 3.05Å; W169-I177 HydrophobicContact CH2-CD1 3.43Å; W169-I177 VanDerWaalsContact CH2-CD1 3.43Å; W169-I177 HydrophobicContact CZ2-CD1 4.05Å; W169-I177 HydrophobicContact CZ3-CD1 3.95Å; W169-I185 HydrophobicContact CE3-CD1 4.17Å; W169-I185 HydrophobicContact CZ3-CD1 3.81Å; W169-L195 HydrophobicContact CB-CD1 4.49Å; W169-L195 HydrophobicContact CD2-CD1 3.75Å; W169-L195 HydrophobicContact CE3-CD1 3.66Å; W169-L195 HydrophobicContact CE3-CD2 4.21Å; W169-L195 HydrophobicContact CG-CD1 4.09Å; W169-L195 HydrophobicContact CZ3-CD1 4.2Å; W169-L195 HydrophobicContact CZ3-CD2 4.29Å; W169-H198 AromaticContact CD1-NE2 3.93Å; W169-H198 AromaticContact NE1-NE2 3.96Å; W169-L199 HydrophobicContact CH2-CD1 4.18Å; W169-L199 HydrophobicContact CH2-CD2 4.02Å; W169-L199 HydrophobicContact CZ2-CD1 4.39Å; W169-L199 HydrophobicContact CZ2-CD2 3.4Å; W169-L199 HydrophobicContact CZ2-CG 4.46Å; W169-L222 HydrophobicContact CH2-CD1 4.49Å; W169-L222 HydrophobicContact CZ2-CD1 4.49Å; W169-F226 HydrophobicContact CZ2-CD1 4.4Å
170D96.8Very high97.1Very high75 Ų7545.1 Ų45.140%0.40126%0.256SS..Iπ-helixtrans-68.4-41.2-176.3-68.4-27.5000112.7Q166 P175Q166-D170 WeakPolarHBondContact CG-OD2 3.5Å; Q166-D170 PolarHBondContact NE2-OD2 3.37Å; Q166-D170 PolarHBondContact O-N 2.88Å; D170-P175 WeakPolarHBondContact O-CD 3.29Å
171G97.6Very high97Very high54 Ų5445.8 Ų45.856%0.55726%0.256SS*.Iπ-helixtrans-89.2-18.6-172.800000115.3P167P167-G171 WeakPolarHBondContact O-CA 3.47Å; P167-G171 PolarHBondContact O-N 3.24Å
172T97.9Very high96.9Very high53 Ų5346.8 Ų46.833%0.32526%0.263SS..Iπ-helixtrans-128.6-46.7-174.6-52.10000112.9F56 Y168F56-T172 HydrophobicContact CE1-CG2 3.87Å; F56-T172 HydrophobicContact CZ-CG2 4.44Å; Y168-T172 HydrophobicContact CE2-CG2 3.92Å; Y168-T172 WeakPolarHBondContact O-CA 3.4Å; Y168-T172 VanDerWaalsContact O-CB 3.27Å; Y168-T172 WeakPolarHBondContact O-CB 3.3Å; Y168-T172 PolarHBondContact O-N 3.12Å
173I97.9Very high96.9Very high0 Ų046.1 Ų46.10%026%0.26CS..Iπ-helixtrans-81.9-46.5-174.2-60.5170.3000111.7F56 Y168 W169 E176 I177 V183 I185F56-I173 HydrophobicContact CD1-CG1 4.03Å; F56-I173 HydrophobicContact CD2-CD1 4.49Å; F56-I173 HydrophobicContact CD2-CG1 3.99Å; F56-I173 HydrophobicContact CD2-CG2 4.42Å; F56-I173 HydrophobicContact CE1-CG1 4.03Å; F56-I173 HydrophobicContact CE2-CB 4.41Å; F56-I173 HydrophobicContact CE2-CG1 3.98Å; F56-I173 HydrophobicContact CE2-CG2 4.21Å; F56-I173 HydrophobicContact CG-CD1 4.28Å; F56-I173 HydrophobicContact CG-CG1 4Å; F56-I173 HydrophobicContact CZ-CG1 3.99Å; Y168-I173 HydrophobicContact CD1-CD1 3.91Å; Y168-I173 HydrophobicContact CD1-CG1 4.33Å; Y168-I173 HydrophobicContact CE1-CD1 4.02Å; Y168-I173 HydrophobicContact CE1-CG1 4.23Å; Y168-I173 PolarHBondContact O-N 3.15Å; W169-I173 HydrophobicContact CE3-CB 3.87Å; W169-I173 HydrophobicContact CE3-CD1 4.03Å; W169-I173 HydrophobicContact CE3-CG2 3.62Å; W169-I173 HydrophobicContact CH2-CG2 4.33Å; W169-I173 HydrophobicContact CZ3-CB 4.28Å; W169-I173 HydrophobicContact CZ3-CG2 3.5Å; W169-I173 PolarHBondContact O-N 3.02Å; W169-I173 VanDerWaalsContact O-N 3.15Å; I173-E176 WeakPolarHBondContact O-CB 3.22Å; I173-E176 PolarHBondContact O-N 3.04Å; I173-E176 VanDerWaalsContact O-N 3.12Å; I173-I177 HydrophobicContact CG2-CD1 3.79Å; I173-I177 HydrophobicContact CG2-CG1 4.33Å; I173-I177 WeakPolarHBondContact O-CG1 3.36Å; I173-I177 PolarHBondContact O-N 3.23Å; I173-I177 VanDerWaalsContact O-N 3.12Å; I173-V183 HydrophobicContact CG2-CG1 4.17Å; I173-I185 HydrophobicContact CD1-CD1 3.94Å; I173-I185 HydrophobicContact CD1-CG1 4.44Å; I173-I185 HydrophobicContact CG2-CD1 4.33Å
174V96.5Very high96.9Very high11 Ų1141 Ų417%0.06724%0.236CC..Hα-helixtrans-56.7-43.2179164.20000112.7W169 E176 I177 K178 F226W169-V174 HydrophobicContact CD2-CG2 4.09Å; W169-V174 VanDerWaalsContact CE2-CG2 3.49Å; W169-V174 HydrophobicContact CG-CG2 4.27Å; W169-V174 HydrophobicContact CZ2-CG2 3.85Å; W169-V174 WeakPolarHBondContact O-CB 3.47Å; W169-V174 WeakPolarHBondContact O-CG2 3.46Å; W169-V174 PolarHBondContact O-N 3.05Å; V174-E176 VanDerWaalsContact C-N 3.28Å; V174-E176 PolarHBondContact O-N 3.45Å; V174-I177 PolarHBondContact O-N 3.48Å; V174-K178 HydrophobicContact CG1-CD 4.18Å; V174-K178 HydrophobicContact CG1-CG 4.29Å; V174-K178 WeakPolarHBondContact O-CG 3.41Å; V174-K178 PolarHBondContact O-N 3.36Å; V174-F226 HydrophobicContact CB-CE1 4.41Å; V174-F226 HydrophobicContact CG1-CD1 4.45Å; V174-F226 HydrophobicContact CG1-CD2 4.46Å; V174-F226 HydrophobicContact CG1-CE1 3.92Å; V174-F226 HydrophobicContact CG1-CE2 3.99Å; V174-F226 HydrophobicContact CG1-CZ 3.73Å; V174-F226 HydrophobicContact CG2-CD1 4.16Å; V174-F226 HydrophobicContact CG2-CE1 4.18Å
175P97.2Very high96.9Very high49 Ų4940.3 Ų40.332%0.31823%0.233SC..Hα-helixtrans-57.1-37174.9-28.336.2000114.3D170 Q179D170-P175 WeakPolarHBondContact O-CD 3.29Å; P175-Q179 WeakPolarHBondContact O-CG 3.45Å; P175-Q179 PolarHBondContact O-N 3.35Å; P175-Q179 PolarHBondContact O-NE2 3.35Å
176E97.5Very high96.9Very high45 Ų4540.2 Ų40.221%0.2123%0.233CC..Hα-helixtrans-68.3-45.3175.9-62.6-62.6117.400110.7V54 F56 I173 V174 K178 Q179 K181 V183V54-E176 HydrophobicContact CG1-CB 4.29Å; V54-E176 HydrophobicContact CG1-CG 4.49Å; F56-E176 HydrophobicContact CE2-CG 4.5Å; F56-E176 HydrophobicContact CZ-CG 4Å; I173-E176 WeakPolarHBondContact O-CB 3.22Å; I173-E176 PolarHBondContact O-N 3.04Å; I173-E176 VanDerWaalsContact O-N 3.12Å; V174-E176 VanDerWaalsContact C-N 3.28Å; V174-E176 PolarHBondContact O-N 3.45Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 3.18Å; E176-Q179 WeakPolarHBondContact O-CB 3.36Å; E176-Q179 PolarHBondContact O-N 3.25Å; E176-Q179 VanDerWaalsContact O-N 3.09Å; E176-Q179 PolarHBondContact OE1-NE2 3.47Å; E176-K181 HydrophobicContact CB-CD 4.26Å; E176-K181 WeakPolarHBondContact O-CB 3.32Å; E176-K181 PolarHBondContact O-N 3.06Å; E176-K181 IonicContact OE1-NZ 3Å; E176-K181 WeakPolarHBondContact OE2-CD 3.19Å; E176-K181 WeakPolarHBondContact OE2-CE 3.39Å; E176-K181 IonicContact OE2-NZ 2.65Å; E176-K181 PolarHBondContact OE2-NZ 3.24Å; E176-V183 HydrophobicContact CB-CG2 4.38Å
177I95.9Very high96.9Very high0 Ų037 Ų370%022%0.218CC..Hα-helixtrans-60.7-41.1177.2-60.9165.4000110.9Y4 V6 W169 I173 V174 Q179 G180 V183 F226Y4-I177 VanDerWaalsContact CB-CG2 3.45Å; Y4-I177 HydrophobicContact CD1-CG2 3.72Å; Y4-I177 WeakPolarHBondContact CD1-O 3.41Å; Y4-I177 HydrophobicContact CD2-CG2 3.95Å; Y4-I177 HydrophobicContact CE1-CG2 4.43Å; Y4-I177 WeakPolarHBondContact CE1-O 3.26Å; Y4-I177 HydrophobicContact CG-CG2 3.44Å; Y4-I177 VanDerWaalsContact CG-CG2 3.44Å; V6-I177 HydrophobicContact CG2-CD1 3.56Å; V6-I177 HydrophobicContact CG2-CG1 4.08Å; V6-I177 HydrophobicContact CG2-CG2 4.46Å; W169-I177 HydrophobicContact CH2-CD1 3.43Å; W169-I177 VanDerWaalsContact CH2-CD1 3.43Å; W169-I177 HydrophobicContact CZ2-CD1 4.05Å; W169-I177 HydrophobicContact CZ3-CD1 3.95Å; I173-I177 HydrophobicContact CG2-CD1 3.79Å; I173-I177 HydrophobicContact CG2-CG1 4.33Å; I173-I177 WeakPolarHBondContact O-CG1 3.36Å; I173-I177 PolarHBondContact O-N 3.23Å; I173-I177 VanDerWaalsContact O-N 3.12Å; V174-I177 PolarHBondContact O-N 3.48Å; I177-Q179 PolarHBondContact O-N 3.44Å; I177-G180 WeakPolarHBondContact O-CA 3.45Å; I177-G180 PolarHBondContact O-N 3.39Å; I177-V183 HydrophobicContact CG1-CB 4.31Å; I177-V183 HydrophobicContact CG1-CG2 3.7Å; I177-F226 HydrophobicContact CB-CE1 3.9Å; I177-F226 HydrophobicContact CD1-CE1 4.34Å; I177-F226 HydrophobicContact CG2-CE1 3.62Å; I177-F226 HydrophobicContact CG2-CZ 4.3Å
178K94.8Very high96.9Very high129 Ų12933.6 Ų33.656%0.56120%0.196SC*.Hα-helixtrans-60.2-27.9177.2-75.6-175.5176.6172.90113.1V174 E176 G180 F226V174-K178 HydrophobicContact CG1-CD 4.18Å; V174-K178 HydrophobicContact CG1-CG 4.29Å; V174-K178 WeakPolarHBondContact O-CG 3.41Å; V174-K178 PolarHBondContact O-N 3.36Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 3.18Å; K178-G180 PolarHBondContact O-N 2.97Å; K178-F226 HydrophobicContact CD-CE2 4.28Å; K178-F226 HydrophobicContact CD-CZ 4.26Å; K178-F226 HydrophobicContact CG-CE2 3.88Å; K178-F226 HydrophobicContact CG-CZ 3.44Å; K178-F226 VanDerWaalsContact CG-CZ 3.44Å
179Q94.4Very high96.8Very high121 Ų12133 Ų3357%0.56520%0.196SC*.THydrogen-bonded Turntrans-75.30174.3-65.6166.346.100112.8P175 E176 I177 K181P175-Q179 WeakPolarHBondContact O-CG 3.45Å; P175-Q179 PolarHBondContact O-N 3.35Å; P175-Q179 PolarHBondContact O-NE2 3.35Å; E176-Q179 WeakPolarHBondContact O-CB 3.36Å; E176-Q179 PolarHBondContact O-N 3.25Å; E176-Q179 VanDerWaalsContact O-N 3.09Å; E176-Q179 PolarHBondContact OE1-NE2 3.47Å; I177-Q179 PolarHBondContact O-N 3.44Å; Q179-K181 VanDerWaalsContact C-N 3.35Å; Q179-K181 HydrophobicContact CB-CG 4.35Å; Q179-K181 VanDerWaalsContact OE1-CE 3.26Å
180G91.9Very high96.8Very high55 Ų5533.3 Ų33.357%0.56720%0.198SC*.THydrogen-bonded Turntrans83.69.1-177.300000114I177 K178I177-G180 WeakPolarHBondContact O-CA 3.45Å; I177-G180 PolarHBondContact O-N 3.39Å; K178-G180 PolarHBondContact O-N 2.97Å
181K95.5Very high96.8Very high65 Ų6529.9 Ų29.928%0.28318%0.18SC..  trans-69.8139179.2-68.1-178.7-1761790111.5D53 E176 Q179 V183D53-K181 HydrophobicContact CB-CB 3.77Å; D53-K181 HydrophobicContact CB-CD 4.27Å; D53-K181 HydrophobicContact CB-CG 3.89Å; D53-K181 WeakPolarHBondContact OD2-CA 3.3Å; E176-K181 HydrophobicContact CB-CD 4.26Å; E176-K181 WeakPolarHBondContact O-CB 3.32Å; E176-K181 PolarHBondContact O-N 3.06Å; E176-K181 IonicContact OE1-NZ 3Å; E176-K181 WeakPolarHBondContact OE2-CD 3.19Å; E176-K181 WeakPolarHBondContact OE2-CE 3.39Å; E176-K181 IonicContact OE2-NZ 2.65Å; E176-K181 PolarHBondContact OE2-NZ 3.24Å; Q179-K181 VanDerWaalsContact C-N 3.35Å; Q179-K181 HydrophobicContact CB-CG 4.35Å; Q179-K181 VanDerWaalsContact OE1-CE 3.26Å; K181-V183 HydrophobicContact CB-CG2 4.46Å
182S95.6Very high96.8Very high21 Ų2127.4 Ų27.415%0.14715%0.154CC..  trans-80116.1168.2-176.10000109.5H51 D53H51-S182 WeakPolarHBondContact O-CB 3.12Å; H51-S182 PolarHBondContact O-OG 2.89Å; D53-S182 PolarHBondContact N-O 3.3Å; D53-S182 PolarHBondContact OD2-N 2.81Å
183V97.9Very high96.7Very high0 Ų025.4 Ų25.40%014%0.14CC..EExtended strand (participates in β ladder)trans-112.1135.8-170.9179.30000110.9F7 V54 F56 I173 E176 I177 K181 I185F7-V183 PolarHBondContact N-O 3.38Å; V54-V183 HydrophobicContact CG1-CB 4.41Å; V54-V183 HydrophobicContact CG1-CG1 4.34Å; V54-V183 HydrophobicContact CG1-CG2 3.72Å; F56-V183 HydrophobicContact CD2-CG1 3.51Å; F56-V183 HydrophobicContact CE2-CG1 3.65Å; I173-V183 HydrophobicContact CG2-CG1 4.17Å; E176-V183 HydrophobicContact CB-CG2 4.38Å; I177-V183 HydrophobicContact CG1-CB 4.31Å; I177-V183 HydrophobicContact CG1-CG2 3.7Å; K181-V183 HydrophobicContact CB-CG2 4.46Å; V183-I185 HydrophobicContact CG1-CG1 4.32Å
184L98.6Very high96.7Very high0 Ų025.4 Ų25.40%014%0.14CC..EExtended strand (participates in β ladder)trans-114.4135.7165.9-176.4147.1000111.6F7 M9 L45 L52 V54 V55 F56 L70F7-L184 HydrophobicContact CB-CB 4.09Å; F7-L184 HydrophobicContact CB-CD1 4.07Å; F7-L184 HydrophobicContact CB-CG 4.02Å; F7-L184 CarbonylContact O-C 3.59Å; F7-L184 WeakPolarHBondContact O-CA 3.19Å; M9-L184 HydrophobicContact SD-CD1 4.42Å; M9-L184 HydrophobicContact SD-CD2 4.43Å; L45-L184 HydrophobicContact CD1-CD1 3.9Å; L52-L184 HydrophobicContact CD1-CB 3.84Å; L52-L184 HydrophobicContact CD1-CD1 3.88Å; L52-L184 HydrophobicContact CD1-CG 4.44Å; L52-L184 HydrophobicContact CD2-CB 3.83Å; L52-L184 HydrophobicContact CG-CB 4.46Å; V54-L184 PolarHBondContact O-N 3.34Å; V54-L184 VanDerWaalsContact O-N 3.14Å; V55-L184 CarbonylContact C-O 3.54Å; V55-L184 WeakPolarHBondContact CA-O 3.48Å; V55-L184 HydrophobicContact CG1-CD2 3.69Å; V55-L184 HydrophobicContact CG2-CB 4.28Å; F56-L184 PolarHBondContact N-O 3.48Å; L70-L184 HydrophobicContact CD1-CD1 3.72Å; L70-L184 HydrophobicContact CD2-CD1 4.03Å
185I98.8Very high96.7Very high2 Ų225 Ų251%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-113.6108.4173.5-55.5172.4000108.5V6 F7 V8 M9 F56 L87 W169 I173 V183 G187 L195V6-I185 HydrophobicContact CG1-CD1 4.39Å; F7-I185 PolarHBondContact O-N 3.07Å; V8-I185 HydrophobicContact CG2-CD1 4.36Å; M9-I185 PolarHBondContact N-O 2.9Å; F56-I185 HydrophobicContact CB-CG1 4.35Å; F56-I185 CarbonylContact O-C 3.52Å; F56-I185 WeakPolarHBondContact O-CA 3.32Å; L87-I185 HydrophobicContact CD1-CG2 4.19Å; L87-I185 HydrophobicContact CD2-CG2 4.15Å; W169-I185 HydrophobicContact CE3-CD1 4.17Å; W169-I185 HydrophobicContact CZ3-CD1 3.81Å; I173-I185 HydrophobicContact CD1-CD1 3.94Å; I173-I185 HydrophobicContact CD1-CG1 4.44Å; I173-I185 HydrophobicContact CG2-CD1 4.33Å; V183-I185 HydrophobicContact CG1-CG1 4.32Å; I185-G187 PolarHBondContact O-N 2.96Å; I185-L195 HydrophobicContact CD1-CD2 3.55Å
186S98.6Very high96.6Very high0 Ų022.7 Ų22.70%012%0.123CC..EExtended strand (participates in β ladder)trans-90.197.3169.3-179.90000108.5F56 T57 S63F56-S186 PolarHBondContact O-N 2.95Å; T57-S186 WeakPolarHBondContact CA-O 3.27Å; S63-S186 WeakPolarHBondContact CB-O 3.49Å; S63-S186 PolarHBondContact O-OG 3.22Å
187G97.9Very high96.4Very high1 Ų121.6 Ų21.61%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-115.7-149.9-177.900000112.8M9 H11 I185M9-G187 PolarHBondContact O-N 3.32Å; H11-G187 PolarHBondContact CD2-O 3.12Å; H11-G187 PolarHBondContact N-O 3.02Å; H11-G187 VanDerWaalsContact N-O 3.11Å; I185-G187 PolarHBondContact O-N 2.96Å
188H98Very high96.3Very high0 Ų024.6 Ų24.60%013%0.131CC..  trans-128.4177-177.5-54.8-91.3000111.2H11 S58 L87 E89 N190 S191 C192H11-H188 AromaticContact CD2-CE1 3.56Å; H11-H188 AromaticContact CD2-CG 3.78Å; H11-H188 AromaticContact CD2-ND1 2.96Å; H11-H188 PolarHBondContact CD2-ND1 2.99Å; H11-H188 AromaticContact NE2-CE1 3.78Å; H11-H188 AromaticContact NE2-CG 3.93Å; H11-H188 AromaticContact NE2-ND1 2.96Å; H11-H188 PolarHBondContact NE2-ND1 3.23Å; S58-H188 VanDerWaalsContact CB-NE2 3.33Å; S58-H188 WeakPolarHBondContact CB-NE2 3.46Å; S58-H188 PolarHBondContact OG-NE2 3.27Å; L87-H188 PolarHBondContact O-CD2 2.91Å; E89-H188 HydrophobicContact CB-CB 3.63Å; E89-H188 HydrophobicContact CG-CB 3.96Å; E89-H188 PolarHBondContact N-CD2 2.87Å; E89-H188 VanDerWaalsContact OE2-CB 3.31Å; E89-H188 WeakPolarHBondContact OE2-CB 3.26Å; H188-N190 PolarHBondContact O-N 3.32Å; H188-S191 PolarHBondContact N-OG 3.43Å; H188-C192 WeakPolarHBondContact O-CB 3.1Å; H188-C192 PolarHBondContact O-N 2.92Å; H188-C192 PolarHBondContact O-SG 3.23Å
189G95.6Very high96.2Very high8 Ų819 Ų198%0.08211%0.107CC..Hα-helixtrans-56.8-54-17500000112.1E89 R193E89-G189 PolarHBondContact OE2-N 3.34Å; G189-R193 WeakPolarHBondContact O-CB 3.26Å; G189-R193 WeakPolarHBondContact O-CG 3.22Å; G189-R193 PolarHBondContact O-N 2.9Å; G189-R193 VanDerWaalsContact O-N 3.11Å
190N96.9Very high95.9Very high11 Ų1116.1 Ų16.16%0.0599%0.094CC..Hα-helixtrans-84-31.7-175.9-64.2-39000113.4E89 R90 Y92 L158 H188 R193 A194E89-N190 WeakPolarHBondContact OE1-CA 3.46Å; E89-N190 WeakPolarHBondContact OE1-CB 3.46Å; E89-N190 PolarHBondContact OE1-N 3.29Å; E89-N190 PolarHBondContact OE2-N 3.35Å; R90-N190 HydrophobicContact CB-CB 3.68Å; Y92-N190 PolarHBondContact OH-ND2 3.01Å; Y92-N190 VanDerWaalsContact OH-ND2 3.08Å; L158-N190 HydrophobicContact CD1-CB 3.89Å; L158-N190 VanDerWaalsContact CD1-O 3.28Å; L158-N190 WeakPolarHBondContact CD1-O 3.37Å; H188-N190 PolarHBondContact O-N 3.32Å; N190-R193 PolarHBondContact O-N 3.41Å; N190-R193 PolarHBondContact OD1-NH1 3.35Å; N190-A194 WeakPolarHBondContact O-CB 3.42Å; N190-A194 PolarHBondContact O-N 2.74Å
191S97.9Very high95.8Very high2 Ų216.8 Ų16.81%0.01410%0.101CC..Hα-helixtrans-66.2-39.2173.757.10000112.4L87 N88 E89 H188 A194 L195L87-S191 PolarHBondContact O-OG 2.83Å; L87-S191 VanDerWaalsContact O-OG 3.08Å; N88-S191 VanDerWaalsContact O-CB 3.32Å; N88-S191 WeakPolarHBondContact O-CB 3.43Å; E89-S191 PolarHBondContact OE1-N 2.95Å; H188-S191 PolarHBondContact N-OG 3.43Å; S191-A194 PolarHBondContact O-N 3.36Å; S191-L195 PolarHBondContact O-N 3.08Å; S191-L195 VanDerWaalsContact O-N 3.11Å
192C97.4Very high95.6Very high2 Ų215 Ų151%0.0149%0.094CC..Hα-helixtrans-68-39.6172.3-65.10000111.7V8 M9 H188 A194 L195 L196 L212V8-C192 HydrophobicContact CG1-CB 3.8Å; V8-C192 VanDerWaalsContact CG1-SG 3.56Å; M9-C192 PolarHBondContact O-SG 3.24Å; M9-C192 VanDerWaalsContact O-SG 3.35Å; H188-C192 WeakPolarHBondContact O-CB 3.1Å; H188-C192 PolarHBondContact O-N 2.92Å; H188-C192 PolarHBondContact O-SG 3.23Å; C192-A194 PolarHBondContact O-N 2.98Å; C192-L195 PolarHBondContact O-N 3.42Å; C192-L196 WeakPolarHBondContact O-CB 3.34Å; C192-L196 VanDerWaalsContact O-CG 3.23Å; C192-L196 WeakPolarHBondContact O-CG 3.14Å; C192-L196 PolarHBondContact O-N 3.28Å; C192-L212 HydrophobicContact CB-CD1 3.42Å; C192-L212 VanDerWaalsContact CB-CD1 3.42Å
193R96.4Very high95.6Very high11 Ų1116.2 Ų16.24%0.04210%0.103CC..Hα-helixtrans-59.3-45.3173.4-76.8170.569.7-125.1-5.7112.3R116 R117 L158 G189 N190 L195 L196 K197 I207 V210 L212R116-R193 PolarHBondContact O-NH1 3.08Å; R117-R193 PolarHBondContact O-NH2 3.43Å; L158-R193 HydrophobicContact CD1-CB 4.45Å; G189-R193 WeakPolarHBondContact O-CB 3.26Å; G189-R193 WeakPolarHBondContact O-CG 3.22Å; G189-R193 PolarHBondContact O-N 2.9Å; G189-R193 VanDerWaalsContact O-N 3.11Å; N190-R193 PolarHBondContact O-N 3.41Å; N190-R193 PolarHBondContact OD1-NH1 3.35Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L195 PolarHBondContact O-N 3.47Å; R193-L196 PolarHBondContact O-N 3.01Å; R193-K197 WeakPolarHBondContact O-CB 3.34Å; R193-K197 PolarHBondContact O-N 2.95Å; R193-I207 HydrophobicContact CB-CD1 4.45Å; R193-I207 PolarHBondContact NH2-O 2.79Å; R193-V210 VanDerWaalsContact CD-O 3.31Å; R193-V210 WeakPolarHBondContact CD-O 3.43Å; R193-V210 HydrophobicContact CG-CG1 4.27Å; R193-V210 PolarHBondContact NE-O 3.47Å; R193-L212 HydrophobicContact CG-CD1 4Å; R193-L212 HydrophobicContact CG-CG 4.04Å
194A97.4Very high95.4Very high0 Ų019.9 Ų19.90%012%0.122CC..Hα-helixtrans-59.5-45.5177.600000111.4L158 V161 L162 N190 S191 C192 K197 H198L158-A194 HydrophobicContact CD1-CB 3.91Å; L158-A194 HydrophobicContact CG-CB 4.37Å; V161-A194 HydrophobicContact CB-CB 4.35Å; V161-A194 HydrophobicContact CG1-CB 3.67Å; L162-A194 HydrophobicContact CB-CB 4.19Å; N190-A194 WeakPolarHBondContact O-CB 3.42Å; N190-A194 PolarHBondContact O-N 2.74Å; S191-A194 PolarHBondContact O-N 3.36Å; C192-A194 PolarHBondContact O-N 2.98Å; A194-K197 WeakPolarHBondContact O-CB 3.47Å; A194-K197 PolarHBondContact O-N 3.48Å; A194-H198 PolarHBondContact O-N 2.82Å
195L96.3Very high95Very high3 Ų323.3 Ų23.32%0.01615%0.151CC..Hα-helixtrans-63.5-45.8176-179.959.6000112.1V8 L165 W169 I185 S191 C192 R193 K197 H198 L199V8-L195 HydrophobicContact CG2-CD2 4.1Å; L165-L195 HydrophobicContact CD2-CB 4.16Å; L165-L195 HydrophobicContact CD2-CD1 3.95Å; W169-L195 HydrophobicContact CB-CD1 4.49Å; W169-L195 HydrophobicContact CD2-CD1 3.75Å; W169-L195 HydrophobicContact CE3-CD1 3.66Å; W169-L195 HydrophobicContact CE3-CD2 4.21Å; W169-L195 HydrophobicContact CG-CD1 4.09Å; W169-L195 HydrophobicContact CZ3-CD1 4.2Å; W169-L195 HydrophobicContact CZ3-CD2 4.29Å; I185-L195 HydrophobicContact CD1-CD2 3.55Å; S191-L195 PolarHBondContact O-N 3.08Å; S191-L195 VanDerWaalsContact O-N 3.11Å; C192-L195 PolarHBondContact O-N 3.42Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L195 PolarHBondContact O-N 3.47Å; L195-K197 VanDerWaalsContact C-N 3.27Å; L195-K197 PolarHBondContact O-N 3.39Å; L195-H198 WeakPolarHBondContact O-CB 3.46Å; L195-H198 PolarHBondContact O-N 2.57Å; L195-L199 HydrophobicContact CD1-CD1 3.96Å; L195-L199 HydrophobicContact CD1-CD2 4.49Å; L195-L199 HydrophobicContact CD1-CG 4.02Å; L195-L199 HydrophobicContact CD2-CD1 4.48Å; L195-L199 HydrophobicContact CG-CD1 3.88Å; L195-L199 HydrophobicContact CG-CG 4.32Å; L195-L199 WeakPolarHBondContact O-CG 3.42Å; L195-L199 PolarHBondContact O-N 2.79Å
196L94.6Very high94.7Very high0 Ų027.7 Ų27.70%017%0.174CC..Hα-helixtrans-61.4-37.2177.1-69.1172.4000111.9C192 R193 H198 L199 Q200 L212 I218 I220 M232C192-L196 WeakPolarHBondContact O-CB 3.34Å; C192-L196 VanDerWaalsContact O-CG 3.23Å; C192-L196 WeakPolarHBondContact O-CG 3.14Å; C192-L196 PolarHBondContact O-N 3.28Å; R193-L196 PolarHBondContact O-N 3.01Å; L196-H198 VanDerWaalsContact C-N 3.33Å; L196-H198 PolarHBondContact O-N 3.32Å; L196-L199 PolarHBondContact O-N 3.18Å; L196-Q200 WeakPolarHBondContact O-CB 3.37Å; L196-Q200 PolarHBondContact O-N 3.07Å; L196-L212 HydrophobicContact CD1-CD1 3.86Å; L196-L212 HydrophobicContact CD1-CD2 3.66Å; L196-L212 HydrophobicContact CD1-CG 4.33Å; L196-I218 HydrophobicContact CD1-CD1 4.01Å; L196-I220 HydrophobicContact CD2-CD1 3.5Å; L196-I220 HydrophobicContact CD2-CG1 4.39Å; L196-M232 HydrophobicContact CD1-SD 4.15Å; L196-M232 HydrophobicContact CD2-SD 4.08Å
197K94.9Very high94.3Very high22 Ų2227.7 Ų27.710%0.09617%0.174CC..Hα-helixtrans-56.3-49.6174.2-169.2-166-174.4-60.60111.1Y119 R193 A194 L195 G201 I202 D204 I207Y119-K197 HydrophobicContact CD2-CD 3.79Å; Y119-K197 HydrophobicContact CE2-CD 3.5Å; Y119-K197 VanDerWaalsContact CE2-CD 3.5Å; Y119-K197 VanDerWaalsContact CE2-CE 3.42Å; R193-K197 WeakPolarHBondContact O-CB 3.34Å; R193-K197 PolarHBondContact O-N 2.95Å; A194-K197 WeakPolarHBondContact O-CB 3.47Å; A194-K197 PolarHBondContact O-N 3.48Å; L195-K197 VanDerWaalsContact C-N 3.27Å; L195-K197 PolarHBondContact O-N 3.39Å; K197-G201 WeakPolarHBondContact O-CA 3.38Å; K197-G201 PolarHBondContact O-N 2.75Å; K197-G201 VanDerWaalsContact O-N 3.07Å; K197-I202 WeakPolarHBondContact CE-O 3.3Å; K197-I202 HydrophobicContact CG-CB 4.13Å; K197-I202 VanDerWaalsContact CG-O 3.24Å; K197-I202 WeakPolarHBondContact CG-O 3.39Å; K197-I202 PolarHBondContact NZ-O 3Å; K197-I202 PolarHBondContact O-N 3.03Å; K197-D204 WeakPolarHBondContact CE-OD1 3.3Å; K197-D204 IonicContact NZ-OD1 3.54Å; K197-D204 PolarHBondContact NZ-OD1 3.24Å; K197-I207 HydrophobicContact CB-CD1 3.72Å; K197-I207 HydrophobicContact CB-CG1 4.06Å; K197-I207 HydrophobicContact CD-CB 4.3Å; K197-I207 HydrophobicContact CD-CG1 4.13Å; K197-I207 HydrophobicContact CD-CG2 4.38Å; K197-I207 HydrophobicContact CG-CB 4.25Å; K197-I207 HydrophobicContact CG-CD1 4.11Å; K197-I207 HydrophobicContact CG-CG1 4.05Å
198H93.8Very high93.9Very high64 Ų6429.2 Ų29.230%0.29618%0.183SC..Hα-helixtrans-63-49.6179175.378.7000111.7L162 W169 A194 L195 L196 Q200L162-H198 HydrophobicContact CD1-CB 3.81Å; L162-H198 HydrophobicContact CD2-CB 4.4Å; W169-H198 AromaticContact CD1-NE2 3.93Å; W169-H198 AromaticContact NE1-NE2 3.96Å; A194-H198 PolarHBondContact O-N 2.82Å; L195-H198 WeakPolarHBondContact O-CB 3.46Å; L195-H198 PolarHBondContact O-N 2.57Å; L196-H198 VanDerWaalsContact C-N 3.33Å; L196-H198 PolarHBondContact O-N 3.32Å; H198-Q200 PolarHBondContact O-N 3Å
199L91.4Very high93.4Very high10 Ų1034.3 Ų34.35%0.05221%0.21CC..Hα-helixtrans-67.3-37.5-175.9-65.3177.3000113.2W169 L195 L196 I220 P228W169-L199 HydrophobicContact CH2-CD1 4.18Å; W169-L199 HydrophobicContact CH2-CD2 4.02Å; W169-L199 HydrophobicContact CZ2-CD1 4.39Å; W169-L199 HydrophobicContact CZ2-CD2 3.4Å; W169-L199 HydrophobicContact CZ2-CG 4.46Å; L195-L199 HydrophobicContact CD1-CD1 3.96Å; L195-L199 HydrophobicContact CD1-CD2 4.49Å; L195-L199 HydrophobicContact CD1-CG 4.02Å; L195-L199 HydrophobicContact CD2-CD1 4.48Å; L195-L199 HydrophobicContact CG-CD1 3.88Å; L195-L199 HydrophobicContact CG-CG 4.32Å; L195-L199 WeakPolarHBondContact O-CG 3.42Å; L195-L199 PolarHBondContact O-N 2.79Å; L196-L199 PolarHBondContact O-N 3.18Å; L199-I220 HydrophobicContact CD1-CD1 3.75Å; L199-P228 WeakPolarHBondContact O-CD 3.49Å; L199-P228 WeakPolarHBondContact O-CG 3.3Å
200Q88.3Confident93.1Very high62 Ų6235 Ų3529%0.2921%0.213SC..Hα-helixtrans-970.6-175.8-68.2-178.266.700113.9L196 H198 I202 P228 M232L196-Q200 WeakPolarHBondContact O-CB 3.37Å; L196-Q200 PolarHBondContact O-N 3.07Å; H198-Q200 PolarHBondContact O-N 3Å; Q200-I202 HydrophobicContact CB-CD1 3.94Å; Q200-I202 HydrophobicContact CB-CG1 3.74Å; Q200-I202 PolarHBondContact O-N 2.74Å; Q200-P228 HydrophobicContact CG-CG 4.04Å; Q200-M232 PolarHBondContact NE2-SD 3.2Å
201G90.4Very high92.6Very high68 Ų6835.3 Ų35.370%0.70122%0.215SC*.THydrogen-bonded Turntrans60.433.9-176.100000112.8K197 S203K197-G201 WeakPolarHBondContact O-CA 3.38Å; K197-G201 PolarHBondContact O-N 2.75Å; K197-G201 VanDerWaalsContact O-N 3.07Å; G201-S203 PolarHBondContact O-N 3.43Å
202I92.1Very high92.2Very high28 Ų2835.6 Ų35.614%0.14422%0.216CC..  trans-69.4132-178.8-58165.8000108.4K197 Q200 D206 I207 V210K197-I202 WeakPolarHBondContact CE-O 3.3Å; K197-I202 HydrophobicContact CG-CB 4.13Å; K197-I202 VanDerWaalsContact CG-O 3.24Å; K197-I202 WeakPolarHBondContact CG-O 3.39Å; K197-I202 PolarHBondContact NZ-O 3Å; K197-I202 PolarHBondContact O-N 3.03Å; Q200-I202 HydrophobicContact CB-CD1 3.94Å; Q200-I202 HydrophobicContact CB-CG1 3.74Å; Q200-I202 PolarHBondContact O-N 2.74Å; I202-D206 HydrophobicContact CG2-CB 3.73Å; I202-I207 HydrophobicContact CD1-CD1 4.32Å; I202-I207 HydrophobicContact CG2-CB 4.02Å; I202-I207 HydrophobicContact CG2-CD1 4.25Å; I202-V210 HydrophobicContact CD1-CG2 4.15Å
203S94.9Very high92Very high47 Ų4735.6 Ų35.633%0.32922%0.216SC..  trans-65.4160.2179.680.70000111.8G201 A205 D206 I207G201-S203 PolarHBondContact O-N 3.43Å; S203-A205 PolarHBondContact O-N 3.18Å; S203-A205 PolarHBondContact OG-N 3.2Å; S203-D206 PolarHBondContact O-N 3.48Å; S203-D206 WeakPolarHBondContact OG-CB 3.36Å; S203-D206 PolarHBondContact OG-N 3.15Å; S203-D206 PolarHBondContact OG-OD2 3.17Å; S203-I207 PolarHBondContact O-N 3.49Å; S203-I207 VanDerWaalsContact O-N 3.07Å
204D93.6Very high91.8Very high77 Ų7735.8 Ų35.841%0.41222%0.219SC..THydrogen-bonded Turntrans-63.7-27.2177.2-59.5-9.2000111.8Y119 K197 I207Y119-D204 HydrophobicContact CD1-CB 3.73Å; Y119-D204 WeakPolarHBondContact CD1-OD1 3.45Å; Y119-D204 HydrophobicContact CE1-CB 4.46Å; Y119-D204 VanDerWaalsContact CE1-OD1 3.32Å; Y119-D204 WeakPolarHBondContact CE1-OD1 3.14Å; Y119-D204 HydrophobicContact CG-CB 4.19Å; K197-D204 WeakPolarHBondContact CE-OD1 3.3Å; K197-D204 IonicContact NZ-OD1 3.54Å; K197-D204 PolarHBondContact NZ-OD1 3.24Å; D204-I207 WeakPolarHBondContact O-CG2 3.49Å
205A90.1Very high91.7Very high72 Ų7236.4 Ų36.460%0.59523%0.225SC*.THydrogen-bonded Turntrans-76.6-41.8175.500000112.2S203S203-A205 PolarHBondContact O-N 3.18Å; S203-A205 PolarHBondContact OG-N 3.2Å
206D91.3Very high91.6Very high94 Ų9437 Ų3750%0.50323%0.229SC..G310 helixtrans-79.5-27.5-173.7-64.2-44.1000113I202 S203 V208 N209I202-D206 HydrophobicContact CG2-CB 3.73Å; S203-D206 PolarHBondContact O-N 3.48Å; S203-D206 WeakPolarHBondContact OG-CB 3.36Å; S203-D206 PolarHBondContact OG-N 3.15Å; S203-D206 PolarHBondContact OG-OD2 3.17Å; D206-V208 PolarHBondContact O-N 3.4Å; D206-V208 VanDerWaalsContact O-N 3.07Å; D206-N209 PolarHBondContact O-N 3.42Å
207I92.1Very high91.7Very high0 Ų037 Ų370%023%0.229CC..G310 helixtrans-61.2-23.6-178.5-167.257.8000112.5Y119 L158 R193 K197 I202 S203 D204 N209 V210Y119-I207 HydrophobicContact CD2-CG2 4.46Å; L158-I207 HydrophobicContact CD2-CG1 3.66Å; L158-I207 HydrophobicContact CD2-CG2 4.25Å; R193-I207 HydrophobicContact CB-CD1 4.45Å; R193-I207 PolarHBondContact NH2-O 2.79Å; K197-I207 HydrophobicContact CB-CD1 3.72Å; K197-I207 HydrophobicContact CB-CG1 4.06Å; K197-I207 HydrophobicContact CD-CB 4.3Å; K197-I207 HydrophobicContact CD-CG1 4.13Å; K197-I207 HydrophobicContact CD-CG2 4.38Å; K197-I207 HydrophobicContact CG-CB 4.25Å; K197-I207 HydrophobicContact CG-CD1 4.11Å; K197-I207 HydrophobicContact CG-CG1 4.05Å; I202-I207 HydrophobicContact CD1-CD1 4.32Å; I202-I207 HydrophobicContact CG2-CB 4.02Å; I202-I207 HydrophobicContact CG2-CD1 4.25Å; S203-I207 PolarHBondContact O-N 3.49Å; S203-I207 VanDerWaalsContact O-N 3.07Å; D204-I207 WeakPolarHBondContact O-CG2 3.49Å; I207-N209 PolarHBondContact O-N 2.96Å; I207-V210 HydrophobicContact CD1-CB 4.01Å; I207-V210 HydrophobicContact CD1-CG2 3.87Å; I207-V210 PolarHBondContact O-N 2.73Å
208V89Confident91.8Very high33 Ų3336.2 Ų36.220%0.223%0.226CC..G310 helixtrans-60.9-27.2175-175.30000111.7R117 D206R117-V208 HydrophobicContact CB-CB 4.44Å; R117-V208 HydrophobicContact CB-CG1 3.73Å; R117-V208 WeakPolarHBondContact CD-O 3.41Å; R117-V208 PolarHBondContact NH1-O 3.19Å; D206-V208 PolarHBondContact O-N 3.4Å; D206-V208 VanDerWaalsContact O-N 3.07Å
209N87.4Confident91.9Very high106 Ų10633.4 Ų33.457%0.56721%0.213SC*.G310 helixtrans-91.7-6.7-178.3-60.4-41.2000113.1D206 I207 T211D206-N209 PolarHBondContact O-N 3.42Å; I207-N209 PolarHBondContact O-N 2.96Å; N209-T211 PolarHBondContact O-N 3.48Å
210V89Confident92.1Very high24 Ų2433 Ų3315%0.14521%0.211CC..  trans-81.6112.6-180-177.90000110.4R193 I202 I207 L212R193-V210 VanDerWaalsContact CD-O 3.31Å; R193-V210 WeakPolarHBondContact CD-O 3.43Å; R193-V210 HydrophobicContact CG-CG1 4.27Å; R193-V210 PolarHBondContact NE-O 3.47Å; I202-V210 HydrophobicContact CD1-CG2 4.15Å; I207-V210 HydrophobicContact CD1-CB 4.01Å; I207-V210 HydrophobicContact CD1-CG2 3.87Å; I207-V210 PolarHBondContact O-N 2.73Å; V210-L212 HydrophobicContact CG1-CD2 4.22Å
211T87.1Confident92.4Very high16 Ų1631 Ų3110%0.09820%0.201CC..  trans-112.6132.2174.5-57.50000110.2R117 N209 I245 V248 E249R117-T211 PolarHBondContact NH1-OG1 3.34Å; R117-T211 PolarHBondContact NH2-OG1 2.84Å; N209-T211 PolarHBondContact O-N 3.48Å; T211-I245 HydrophobicContact CG2-CG2 4Å; T211-V248 HydrophobicContact CG2-CB 3.81Å; T211-V248 HydrophobicContact CG2-CG1 3.67Å; T211-E249 HydrophobicContact CG2-CG 4.16Å; T211-E249 PolarHBondContact OG1-OE1 3.35Å
212L89.6Confident92.5Very high8 Ų827.7 Ų27.74%0.04217%0.168CC..  trans-109.2124176.1-56.1-177.1000110.7R10 C192 R193 L196 V210 I218R10-L212 PolarHBondContact NH1-O 3.39Å; C192-L212 HydrophobicContact CB-CD1 3.42Å; C192-L212 VanDerWaalsContact CB-CD1 3.42Å; R193-L212 HydrophobicContact CG-CD1 4Å; R193-L212 HydrophobicContact CG-CG 4.04Å; L196-L212 HydrophobicContact CD1-CD1 3.86Å; L196-L212 HydrophobicContact CD1-CD2 3.66Å; L196-L212 HydrophobicContact CD1-CG 4.33Å; V210-L212 HydrophobicContact CG1-CD2 4.22Å; L212-I218 HydrophobicContact CD1-CD1 4.33Å; L212-I218 HydrophobicContact CD2-CD1 3.68Å
213P92.6Very high92.5Very high3 Ų328.1 Ų28.12%0.01917%0.171CC..  trans-67.1160.1171.629.9-32.3000110.8T216 L234 I241 A244 I245P213-T216 HydrophobicContact CG-CG2 4.25Å; P213-T216 WeakPolarHBondContact CG-OG1 3.31Å; P213-L234 HydrophobicContact CG-CD2 3.9Å; P213-I241 HydrophobicContact CG-CG2 4.44Å; P213-A244 HydrophobicContact CB-CB 3.72Å; P213-I245 HydrophobicContact CB-CG1 4.28Å; P213-I245 HydrophobicContact CG-CG1 4.09Å
214T92.9Very high92.3Very high14 Ų1431.7 Ų31.79%0.08618%0.182CC..SBendtrans-75.7145.917143.90000109.9R10 E37 T216R10-T214 HydrophobicContact CG-CG2 4.49Å; R10-T214 VanDerWaalsContact CZ-CG2 3.49Å; E37-T214 PolarHBondContact OE1-OG1 3.13Å; E37-T214 VanDerWaalsContact OE1-OG1 3.07Å; E37-T214 WeakPolarHBondContact OE2-CB 3.39Å; E37-T214 PolarHBondContact OE2-OG1 3.13Å; T214-T216 VanDerWaalsContact C-N 3.33Å; T214-T216 PolarHBondContact O-N 2.89Å; T214-T216 PolarHBondContact O-OG1 3.03Å
215G93.6Very high92.1Very high14 Ų1432.7 Ų32.714%0.14419%0.187CC..SBendtrans57.842.3170.400000114.1R10 C41R10-G215 PolarHBondContact O-N 3.4Å; R10-G215 VanDerWaalsContact O-N 3.12Å; C41-G215 PolarHBondContact SG-O 3.1Å
216T95Very high92Very high14 Ų1430.8 Ų30.89%0.08617%0.166CC..  trans-131.6116.4174.5-53.70000108.8P213 T214 L234 I241P213-T216 HydrophobicContact CG-CG2 4.25Å; P213-T216 WeakPolarHBondContact CG-OG1 3.31Å; T214-T216 VanDerWaalsContact C-N 3.33Å; T214-T216 PolarHBondContact O-N 2.89Å; T214-T216 PolarHBondContact O-OG1 3.03Å; T216-L234 HydrophobicContact CG2-CB 4Å; T216-L234 HydrophobicContact CG2-CD2 4.34Å; T216-L234 HydrophobicContact CG2-CG 4.37Å; T216-I241 HydrophobicContact CG2-CD1 3.9Å; T216-I241 HydrophobicContact CG2-CG1 3.89Å
217P96.1Very high91.9Very high2 Ų234.2 Ų34.21%0.01317%0.172CC..EExtended strand (participates in β ladder)trans-68.9134.7175.3-18.433.2000111.3C41 L45 L235C41-P217 HydrophobicContact CB-CG 3.93Å; L45-P217 HydrophobicContact CD1-CG 4.43Å; L45-P217 HydrophobicContact CD2-CB 4.18Å; L45-P217 HydrophobicContact CD2-CG 4.34Å; L45-P217 HydrophobicContact CG-CG 4.31Å; P217-L235 HydrophobicContact CB-CB 4.46Å; P217-L235 HydrophobicContact CB-CD1 4.33Å; P217-L235 PolarHBondContact O-N 2.78Å
218I96.9Very high91.9Very high4 Ų436.5 Ų36.52%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-108.2117.4175-51.6170.1000107.6F7 V8 L196 L212 I220 M232 Q233 L234F7-I218 CarbonylContact C-O 3.57Å; F7-I218 WeakPolarHBondContact CA-O 3.08Å; V8-I218 PolarHBondContact N-O 3.15Å; V8-I218 WeakPolarHBondContact O-CA 3.2Å; V8-I218 WeakPolarHBondContact O-CB 3.43Å; V8-I218 WeakPolarHBondContact O-CG1 3.18Å; V8-I218 PolarHBondContact O-N 3.21Å; L196-I218 HydrophobicContact CD1-CD1 4.01Å; L212-I218 HydrophobicContact CD1-CD1 4.33Å; L212-I218 HydrophobicContact CD2-CD1 3.68Å; I218-I220 HydrophobicContact CG2-CG1 4.34Å; I218-M232 HydrophobicContact CG2-CB 3.83Å; I218-M232 HydrophobicContact CG2-CG 4.24Å; I218-M232 HydrophobicContact CG2-SD 3.93Å; I218-Q233 CarbonylContact C-O 3.54Å; I218-Q233 VanDerWaalsContact CA-O 3.32Å; I218-Q233 WeakPolarHBondContact CA-O 3.48Å; I218-L234 HydrophobicContact CG1-CG 4.28Å
219L96.5Very high92.1Very high5 Ų537.4 Ų37.43%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-86.9128.5173.1173.363000110.2K5 F7 E221 M232 Q233 L235K5-L219 HydrophobicContact CB-CD1 4.04Å; K5-L219 HydrophobicContact CD-CD1 4.41Å; K5-L219 HydrophobicContact CG-CD1 4.23Å; F7-L219 HydrophobicContact CD1-CB 4.49Å; F7-L219 HydrophobicContact CD1-CD1 4.33Å; F7-L219 HydrophobicContact CE1-CB 4.34Å; F7-L219 HydrophobicContact CE1-CD1 3.86Å; F7-L219 HydrophobicContact CZ-CD1 3.95Å; L219-E221 HydrophobicContact CG-CG 4.46Å; L219-M232 WeakPolarHBondContact O-CA 3.36Å; L219-Q233 HydrophobicContact CB-CB 4.38Å; L219-Q233 PolarHBondContact N-O 3.37Å; L219-Q233 PolarHBondContact O-N 3.01Å; L219-L235 HydrophobicContact CB-CD1 4.19Å; L219-L235 HydrophobicContact CB-CD2 4.13Å; L219-L235 HydrophobicContact CB-CG 4.24Å
220I95.4Very high92.2Very high2 Ų237 Ų371%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-121.7121.5173.4-48.1174.1000108.3V6 V8 L196 L199 I218 L222 M232V6-I220 PolarHBondContact N-O 3.42Å; V6-I220 PolarHBondContact O-N 3.09Å; V8-I220 HydrophobicContact CG2-CD1 3.83Å; L196-I220 HydrophobicContact CD2-CD1 3.5Å; L196-I220 HydrophobicContact CD2-CG1 4.39Å; L199-I220 HydrophobicContact CD1-CD1 3.75Å; I218-I220 HydrophobicContact CG2-CG1 4.34Å; I220-L222 HydrophobicContact CG2-CD2 3.6Å; I220-L222 HydrophobicContact CG2-CG 4.16Å; I220-M232 HydrophobicContact CG1-CB 4.49Å
221E93.6Very high92.3Very high19 Ų1941.2 Ų41.29%0.08921%0.213CC..EExtended strand (participates in β ladder)trans-100.1116.9175.6-71.5-173.9-106.100110.3S2 Y4 K5 L219 P228 T229 K230S2-E221 WeakPolarHBondContact CB-OE2 3.46Å; S2-E221 PolarHBondContact OG-OE2 3.18Å; Y4-E221 WeakPolarHBondContact O-CA 3.29Å; K5-E221 HydrophobicContact CG-CG 4.48Å; L219-E221 HydrophobicContact CG-CG 4.46Å; E221-P228 WeakPolarHBondContact O-CA 3.38Å; E221-T229 PolarHBondContact O-N 3.07Å; E221-T229 PolarHBondContact O-OG1 2.89Å; E221-K230 VanDerWaalsContact CD-NZ 3.3Å; E221-K230 WeakPolarHBondContact OE1-CD 3.44Å; E221-K230 WeakPolarHBondContact OE1-CE 3.47Å; E221-K230 IonicContact OE1-NZ 3.93Å; E221-K230 PolarHBondContact OE1-NZ 3.07Å; E221-K230 IonicContact OE2-NZ 2.99Å; E221-K230 PolarHBondContact OE2-NZ 3.42Å; E221-K230 VanDerWaalsContact OE2-NZ 3.08Å
222L93.5Very high92.5Very high0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-109.6148.8-174.5-55.7175.8000112.1K3 Y4 V6 W169 I220 F226 R227 P228K3-L222 PolarHBondContact N-O 2.72Å; Y4-L222 HydrophobicContact CD2-CB 4.41Å; Y4-L222 PolarHBondContact N-O 3.15Å; Y4-L222 PolarHBondContact O-N 3.18Å; V6-L222 HydrophobicContact CG2-CD1 3.88Å; W169-L222 HydrophobicContact CH2-CD1 4.49Å; W169-L222 HydrophobicContact CZ2-CD1 4.49Å; I220-L222 HydrophobicContact CG2-CD2 3.6Å; I220-L222 HydrophobicContact CG2-CG 4.16Å; L222-F226 HydrophobicContact CD1-CD1 4.01Å; L222-R227 CarbonylContact C-O 3.53Å; L222-R227 WeakPolarHBondContact CA-O 3.4Å; L222-P228 HydrophobicContact CD2-CG 4.13Å
223D92.4Very high92.8Very high37 Ų3746.5 Ų46.520%0.19824%0.237CC..  trans-82.6-176.7167.772.79000112.1Y4 N225 F226 R227 T229Y4-D223 VanDerWaalsContact CD2-O 3.26Å; Y4-D223 WeakPolarHBondContact CD2-O 3.36Å; Y4-D223 WeakPolarHBondContact CE2-O 3.18Å; D223-N225 PolarHBondContact O-N 3.23Å; D223-N225 VanDerWaalsContact OD1-C 3.25Å; D223-N225 VanDerWaalsContact OD1-CA 3.29Å; D223-N225 WeakPolarHBondContact OD1-CA 3.12Å; D223-N225 WeakPolarHBondContact OD1-CB 3.46Å; D223-N225 PolarHBondContact OD1-N 3.2Å; D223-F226 PolarHBondContact O-N 3.18Å; D223-F226 VanDerWaalsContact O-N 3.08Å; D223-F226 PolarHBondContact OD1-N 3.37Å; D223-F226 VanDerWaalsContact OD1-N 3.11Å; D223-R227 PolarHBondContact N-O 3.44Å; D223-R227 PolarHBondContact OD1-N 3.34Å; D223-T229 HydrophobicContact CB-CG2 3.67Å
224E91.1Very high92.9Very high122 Ų12247.8 Ų47.857%0.5724%0.243SC*.THydrogen-bonded Turntrans-63-17.8178.364.9-169.218000115.1K3K3-E224 HydrophobicContact CD-CB 3.87Å
225N89.3Confident93Very high97 Ų9748.4 Ų48.452%0.51925%0.246SC..THydrogen-bonded Turntrans-101.914.9177.7-59.9-57.2000112D223 R227D223-N225 PolarHBondContact O-N 3.23Å; D223-N225 VanDerWaalsContact OD1-C 3.25Å; D223-N225 VanDerWaalsContact OD1-CA 3.29Å; D223-N225 WeakPolarHBondContact OD1-CA 3.12Å; D223-N225 WeakPolarHBondContact OD1-CB 3.46Å; D223-N225 PolarHBondContact OD1-N 3.2Å; N225-R227 HydrophobicContact CB-CG 4.38Å; N225-R227 PolarHBondContact O-N 2.98Å
226F87.9Confident93Very high33 Ų3349.4 Ų49.415%0.14526%0.257CS..SBendtrans61.726.6-179.6-62.8-91.2000113.8Y4 W169 V174 I177 K178 L222 D223Y4-F226 HydrophobicContact CD2-CE1 4.32Å; Y4-F226 HydrophobicContact CD2-CZ 4.35Å; Y4-F226 HydrophobicContact CE2-CE1 4.4Å; Y4-F226 HydrophobicContact CE2-CE2 4.4Å; Y4-F226 AromaticContact CE2-CZ 3.97Å; Y4-F226 HydrophobicContact CE2-CZ 3.97Å; W169-F226 HydrophobicContact CZ2-CD1 4.4Å; V174-F226 HydrophobicContact CB-CE1 4.41Å; V174-F226 HydrophobicContact CG1-CD1 4.45Å; V174-F226 HydrophobicContact CG1-CD2 4.46Å; V174-F226 HydrophobicContact CG1-CE1 3.92Å; V174-F226 HydrophobicContact CG1-CE2 3.99Å; V174-F226 HydrophobicContact CG1-CZ 3.73Å; V174-F226 HydrophobicContact CG2-CD1 4.16Å; V174-F226 HydrophobicContact CG2-CE1 4.18Å; I177-F226 HydrophobicContact CB-CE1 3.9Å; I177-F226 HydrophobicContact CD1-CE1 4.34Å; I177-F226 HydrophobicContact CG2-CE1 3.62Å; I177-F226 HydrophobicContact CG2-CZ 4.3Å; K178-F226 HydrophobicContact CD-CE2 4.28Å; K178-F226 HydrophobicContact CD-CZ 4.26Å; K178-F226 HydrophobicContact CG-CE2 3.88Å; K178-F226 HydrophobicContact CG-CZ 3.44Å; K178-F226 VanDerWaalsContact CG-CZ 3.44Å; L222-F226 HydrophobicContact CD1-CD1 4.01Å; D223-F226 PolarHBondContact O-N 3.18Å; D223-F226 VanDerWaalsContact O-N 3.08Å; D223-F226 PolarHBondContact OD1-N 3.37Å; D223-F226 VanDerWaalsContact OD1-N 3.11Å
227R89.1Confident92.8Very high166 Ų16653.7 Ų53.763%0.62628%0.279SS*.  trans-95.3136.6175.1-61.1178.8178.8165.6-0.1110.4L222 D223 N225 T229L222-R227 CarbonylContact C-O 3.53Å; L222-R227 WeakPolarHBondContact CA-O 3.4Å; D223-R227 PolarHBondContact N-O 3.44Å; D223-R227 PolarHBondContact OD1-N 3.34Å; N225-R227 HydrophobicContact CB-CG 4.38Å; N225-R227 PolarHBondContact O-N 2.98Å; R227-T229 PolarHBondContact O-N 3.12Å
228P92.1Very high92.7Very high47 Ų4758.5 Ų58.531%0.30530%0.301SS..BIsolated β-bridgetrans-57.6128.5173.4-24.534000111.2L199 Q200 E221 L222L199-P228 WeakPolarHBondContact O-CD 3.49Å; L199-P228 WeakPolarHBondContact O-CG 3.3Å; Q200-P228 HydrophobicContact CG-CG 4.04Å; E221-P228 WeakPolarHBondContact O-CA 3.38Å; L222-P228 HydrophobicContact CD2-CG 4.13Å
229T92.3Very high92.3Very high52 Ų5264.8 Ų64.832%0.31934%0.335SS..SBendtrans-93.9-15.6177.955.10000112.9S2 E221 D223 R227S2-T229 WeakPolarHBondContact CB-OG1 3.47Å; E221-T229 PolarHBondContact O-N 3.07Å; E221-T229 PolarHBondContact O-OG1 2.89Å; D223-T229 HydrophobicContact CB-CG2 3.67Å; R227-T229 PolarHBondContact O-N 3.12Å
230K90.9Very high92Very high97 Ų9767.3 Ų67.342%0.42236%0.357SS..SBendtrans-145.4160.5178.2-60.3-175.1-160.9153.40109.3E221E221-K230 VanDerWaalsContact CD-NZ 3.3Å; E221-K230 WeakPolarHBondContact OE1-CD 3.44Å; E221-K230 WeakPolarHBondContact OE1-CE 3.47Å; E221-K230 IonicContact OE1-NZ 3.93Å; E221-K230 PolarHBondContact OE1-NZ 3.07Å; E221-K230 IonicContact OE2-NZ 2.99Å; E221-K230 PolarHBondContact OE2-NZ 3.42Å; E221-K230 VanDerWaalsContact OE2-NZ 3.08Å
231P90.5Very high91.8Very high113 Ų11367.6 Ų67.673%0.73436%0.358SS*.  trans-53.5142.1166.5-24.334.7000111
232M92.1Very high91.6Very high53 Ų5371.1 Ų71.126%0.26138%0.375SS..  trans-58.5145.7173.865.7171.2175.500110.6L196 Q200 I218 L219 I220L196-M232 HydrophobicContact CD1-SD 4.15Å; L196-M232 HydrophobicContact CD2-SD 4.08Å; Q200-M232 PolarHBondContact NE2-SD 3.2Å; I218-M232 HydrophobicContact CG2-CB 3.83Å; I218-M232 HydrophobicContact CG2-CG 4.24Å; I218-M232 HydrophobicContact CG2-SD 3.93Å; L219-M232 WeakPolarHBondContact O-CA 3.36Å; I220-M232 HydrophobicContact CG1-CB 4.49Å
233Q94.1Very high91.4Very high83 Ų8373.9 Ų73.939%0.38840%0.398SS..EExtended strand (participates in β ladder)trans-117.7119.9-177.4-61.5176.65.400109.8I218 L219 L235I218-Q233 CarbonylContact C-O 3.54Å; I218-Q233 VanDerWaalsContact CA-O 3.32Å; I218-Q233 WeakPolarHBondContact CA-O 3.48Å; L219-Q233 HydrophobicContact CB-CB 4.38Å; L219-Q233 PolarHBondContact N-O 3.37Å; L219-Q233 PolarHBondContact O-N 3.01Å; Q233-L235 HydrophobicContact CB-CD2 4.23Å; Q233-L235 PolarHBondContact O-N 3.46Å
234L95Very high91.2Very high29 Ų2973.6 Ų73.615%0.15240%0.4CS..EExtended strand (participates in β ladder)trans-79.9113.1168.2-75.675.6000107.4P213 T216 I218 Q238 I241 I245P213-L234 HydrophobicContact CG-CD2 3.9Å; T216-L234 HydrophobicContact CG2-CB 4Å; T216-L234 HydrophobicContact CG2-CD2 4.34Å; T216-L234 HydrophobicContact CG2-CG 4.37Å; I218-L234 HydrophobicContact CG1-CG 4.28Å; L234-Q238 PolarHBondContact O-NE2 2.94Å; L234-I241 HydrophobicContact CB-CD1 3.97Å; L234-I241 HydrophobicContact CB-CG2 4.08Å; L234-I241 HydrophobicContact CD2-CG2 3.44Å; L234-I241 VanDerWaalsContact CD2-CG2 3.44Å; L234-I241 HydrophobicContact CG-CG2 4.4Å; L234-I245 HydrophobicContact CD2-CD1 4.2Å
235L95.5Very high91.1Very high27 Ų2769 Ų6914%0.14138%0.379CS..  trans-80.3132.3-175.7-56.5-176000110.2F7 L44 L45 Y50 P217 L219 Q233F7-L235 HydrophobicContact CD1-CD1 4.27Å; F7-L235 HydrophobicContact CE1-CD1 3.92Å; L44-L235 HydrophobicContact CD2-CB 3.81Å; L44-L235 WeakPolarHBondContact CD2-O 3.36Å; L45-L235 HydrophobicContact CD2-CD1 3.78Å; Y50-L235 HydrophobicContact CE2-CD1 3.97Å; P217-L235 HydrophobicContact CB-CB 4.46Å; P217-L235 HydrophobicContact CB-CD1 4.33Å; P217-L235 PolarHBondContact O-N 2.78Å; L219-L235 HydrophobicContact CB-CD1 4.19Å; L219-L235 HydrophobicContact CB-CD2 4.13Å; L219-L235 HydrophobicContact CB-CG 4.24Å; Q233-L235 HydrophobicContact CB-CD2 4.23Å; Q233-L235 PolarHBondContact O-N 3.46Å
236G93.4Very high91.1Very high36 Ų3672.2 Ų72.237%0.37138%0.384SS..SBendtrans129.3-167.4178.100000112.7Q238G236-Q238 PolarHBondContact O-N 2.89Å; G236-Q238 PolarHBondContact O-NE2 3.41Å
237D91.8Very high91.1Very high104 Ų10476.1 Ų76.156%0.55640%0.401SS*.  trans-66.3118.5175.4-177.8-75.6000110.7D239 A240 I241D237-D239 VanDerWaalsContact C-N 3.35Å; D237-D239 PolarHBondContact O-N 3.49Å; D237-D239 PolarHBondContact OD1-N 2.89Å; D237-A240 HydrophobicContact CB-CB 4.03Å; D237-A240 PolarHBondContact O-N 3.03Å; D237-A240 WeakPolarHBondContact OD1-CB 3.48Å; D237-A240 PolarHBondContact OD1-N 3.35Å; D237-I241 WeakPolarHBondContact O-CB 3.47Å; D237-I241 WeakPolarHBondContact O-CD1 3.48Å; D237-I241 WeakPolarHBondContact O-CG1 3.39Å; D237-I241 PolarHBondContact O-N 3.4Å
238Q92.4Very high90.8Very high102 Ų10269 Ų6948%0.47738%0.376SS..Hα-helixtrans-69-32.6-171.6-62-58-63.200112.6L234 G236 I241 Q242L234-Q238 PolarHBondContact O-NE2 2.94Å; G236-Q238 PolarHBondContact O-N 2.89Å; G236-Q238 PolarHBondContact O-NE2 3.41Å; Q238-I241 PolarHBondContact O-N 3.15Å; Q238-Q242 WeakPolarHBondContact O-CG 3.48Å; Q238-Q242 PolarHBondContact O-N 3.05Å
239D90.4Very high90.5Very high136 Ų13669.9 Ų69.973%0.72738%0.376SS*.Hα-helixtrans-70.9-42.7179.2-71.5-23.5000110.8D237 I241 Q242 A243D237-D239 VanDerWaalsContact C-N 3.35Å; D237-D239 PolarHBondContact O-N 3.49Å; D237-D239 PolarHBondContact OD1-N 2.89Å; D239-I241 VanDerWaalsContact C-N 3.34Å; D239-I241 PolarHBondContact O-N 2.8Å; D239-Q242 PolarHBondContact O-N 3.05Å; D239-A243 PolarHBondContact O-N 3.46Å
240A89.1Confident90.2Very high58 Ų5871.1 Ų71.148%0.47938%0.38SS..Hα-helixtrans-62.2-41173.900000111.8D237 A243 A244D237-A240 HydrophobicContact CB-CB 4.03Å; D237-A240 PolarHBondContact O-N 3.03Å; D237-A240 WeakPolarHBondContact OD1-CB 3.48Å; D237-A240 PolarHBondContact OD1-N 3.35Å; A240-A243 PolarHBondContact O-N 2.84Å; A240-A244 WeakPolarHBondContact O-CB 3.4Å; A240-A244 PolarHBondContact O-N 3.01Å
241I91Very high89.5Confident8 Ų867.7 Ų67.74%0.04137%0.366CS..Hα-helixtrans-61.1-47.1175.8-74162.7000110.9P213 T216 L234 D237 Q238 D239 A243 A244 I245P213-I241 HydrophobicContact CG-CG2 4.44Å; T216-I241 HydrophobicContact CG2-CD1 3.9Å; T216-I241 HydrophobicContact CG2-CG1 3.89Å; L234-I241 HydrophobicContact CB-CD1 3.97Å; L234-I241 HydrophobicContact CB-CG2 4.08Å; L234-I241 HydrophobicContact CD2-CG2 3.44Å; L234-I241 VanDerWaalsContact CD2-CG2 3.44Å; L234-I241 HydrophobicContact CG-CG2 4.4Å; D237-I241 WeakPolarHBondContact O-CB 3.47Å; D237-I241 WeakPolarHBondContact O-CD1 3.48Å; D237-I241 WeakPolarHBondContact O-CG1 3.39Å; D237-I241 PolarHBondContact O-N 3.4Å; Q238-I241 PolarHBondContact O-N 3.15Å; D239-I241 VanDerWaalsContact C-N 3.34Å; D239-I241 PolarHBondContact O-N 2.8Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.42Å; I241-A244 PolarHBondContact O-N 3.3Å; I241-I245 HydrophobicContact CG2-CD1 3.99Å; I241-I245 WeakPolarHBondContact O-CG1 3.46Å; I241-I245 PolarHBondContact O-N 2.91Å
242Q89.7Confident88.4Confident94 Ų9462.7 Ų62.744%0.43934%0.335SS..Hα-helixtrans-64.2-39.1178.3-69.4-56.8-38.100112Q238 D239 I245 R246Q238-Q242 WeakPolarHBondContact O-CG 3.48Å; Q238-Q242 PolarHBondContact O-N 3.05Å; D239-Q242 PolarHBondContact O-N 3.05Å; Q242-I245 PolarHBondContact O-N 3.01Å; Q242-R246 WeakPolarHBondContact O-CG 3.31Å; Q242-R246 PolarHBondContact O-N 2.77Å; Q242-R246 VanDerWaalsContact O-N 3.08Å
243A89.2Confident87.6Confident58 Ų5865.1 Ų65.148%0.47934%0.344SS..Hα-helixtrans-62.6-42.3173.800000111.9D239 A240 I241 R246 K247D239-A243 PolarHBondContact O-N 3.46Å; A240-A243 PolarHBondContact O-N 2.84Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.42Å; A243-R246 PolarHBondContact O-N 3.21Å; A243-K247 PolarHBondContact O-N 3.42Å
244A88.9Confident86.4Confident30 Ų3063.9 Ų63.925%0.24834%0.342CS..Hα-helixtrans-65.7-39.6177.600000112.5P213 A240 I241 K247 V248P213-A244 HydrophobicContact CB-CB 3.72Å; A240-A244 WeakPolarHBondContact O-CB 3.4Å; A240-A244 PolarHBondContact O-N 3.01Å; I241-A244 PolarHBondContact O-N 3.3Å; A244-K247 PolarHBondContact O-N 3.03Å; A244-V248 WeakPolarHBondContact O-CG2 3.45Å; A244-V248 PolarHBondContact O-N 3.08Å
245I89Confident84.9Confident25 Ų2571.3 Ų71.313%0.12837%0.373CS..Hα-helixtrans-58.2-53.4172.9-70.6167.3000109.4T211 P213 L234 I241 Q242 K247 V248 E249T211-I245 HydrophobicContact CG2-CG2 4Å; P213-I245 HydrophobicContact CB-CG1 4.28Å; P213-I245 HydrophobicContact CG-CG1 4.09Å; L234-I245 HydrophobicContact CD2-CD1 4.2Å; I241-I245 HydrophobicContact CG2-CD1 3.99Å; I241-I245 WeakPolarHBondContact O-CG1 3.46Å; I241-I245 PolarHBondContact O-N 2.91Å; Q242-I245 PolarHBondContact O-N 3.01Å; I245-K247 VanDerWaalsContact C-N 3.32Å; I245-K247 PolarHBondContact O-N 3.43Å; I245-V248 WeakPolarHBondContact O-CB 3.3Å; I245-V248 PolarHBondContact O-N 3.38Å; I245-E249 HydrophobicContact CG2-CG 4.37Å; I245-E249 WeakPolarHBondContact O-CG 3.5Å; I245-E249 PolarHBondContact O-N 3.15Å; I245-E249 VanDerWaalsContact O-N 3.12Å
246R88.9Confident82.6Confident165 Ų16579 Ų7962%0.62341%0.408SS*.Hα-helixtrans-54.8-45.3179.3-69.7176.7-167.6-146.34.6112.1Q242 A243 V248 E249 D250Q242-R246 WeakPolarHBondContact O-CG 3.31Å; Q242-R246 PolarHBondContact O-N 2.77Å; Q242-R246 VanDerWaalsContact O-N 3.08Å; A243-R246 PolarHBondContact O-N 3.21Å; R246-V248 VanDerWaalsContact C-N 3.26Å; R246-V248 PolarHBondContact O-N 2.91Å; R246-E249 PolarHBondContact O-N 3.34Å; R246-D250 PolarHBondContact O-N 2.94Å
247K87.4Confident80Confident115 Ų11583.3 Ų83.350%0.543%0.428SS..Hα-helixtrans-53.9-40.5175.5-175.1-174.1171.4-164.10112.2E13 A243 A244 I245 Q251E13-K247 IonicContact OE1-NZ 2.77Å; E13-K247 PolarHBondContact OE1-NZ 3.45Å; A243-K247 PolarHBondContact O-N 3.42Å; A244-K247 PolarHBondContact O-N 3.03Å; I245-K247 VanDerWaalsContact C-N 3.32Å; I245-K247 PolarHBondContact O-N 3.43Å; K247-Q251 PolarHBondContact O-N 3.45Å
248V84.2Confident77.6Confident16 Ų1687.7 Ų87.710%0.09746%0.462CS..Hα-helixtrans-72.2-33.4178.3175.90000112.2R116 T211 A244 I245 R246R116-V248 PolarHBondContact NH2-O 2.84Å; T211-V248 HydrophobicContact CG2-CB 3.81Å; T211-V248 HydrophobicContact CG2-CG1 3.67Å; A244-V248 WeakPolarHBondContact O-CG2 3.45Å; A244-V248 PolarHBondContact O-N 3.08Å; I245-V248 WeakPolarHBondContact O-CB 3.3Å; I245-V248 PolarHBondContact O-N 3.38Å; R246-V248 VanDerWaalsContact C-N 3.26Å; R246-V248 PolarHBondContact O-N 2.91Å
249E85.3Confident76.8Confident66 Ų6687 Ų8731%0.30846%0.461SS..Hα-helixtrans-68.2-44.3176.9-43.6-147.8114.400110.9R117 T211 I245 R246 Q251 G252R117-E249 IonicContact CZ-OE1 3.03Å; R117-E249 IonicContact NH1-OE1 3.97Å; R117-E249 PolarHBondContact NH1-OE1 3.11Å; R117-E249 VanDerWaalsContact NH1-OE1 3.13Å; R117-E249 IonicContact NH2-OE1 3.93Å; R117-E249 PolarHBondContact NH2-OE1 3.29Å; T211-E249 HydrophobicContact CG2-CG 4.16Å; T211-E249 PolarHBondContact OG1-OE1 3.35Å; I245-E249 HydrophobicContact CG2-CG 4.37Å; I245-E249 WeakPolarHBondContact O-CG 3.5Å; I245-E249 PolarHBondContact O-N 3.15Å; I245-E249 VanDerWaalsContact O-N 3.12Å; R246-E249 PolarHBondContact O-N 3.34Å; E249-Q251 PolarHBondContact O-N 3.17Å; E249-G252 PolarHBondContact O-N 3.11Å
250D85.1Confident76.1Confident78 Ų7884.4 Ų84.442%0.41745%0.447SS..Hα-helixtrans-67.6-18.7-177.2-66.4-23.2000113.6R246 G252 K253R246-D250 PolarHBondContact O-N 2.94Å; D250-G252 PolarHBondContact O-N 3.22Å; D250-K253 PolarHBondContact O-N 3Å; D250-K253 WeakPolarHBondContact OD1-CD 3.45Å; D250-K253 WeakPolarHBondContact OD1-CE 3.39Å; D250-K253 IonicContact OD1-NZ 3.69Å; D250-K253 PolarHBondContact OD1-NZ 2.89Å
251Q76.9Confident75.4Confident25 Ų2585.8 Ų85.812%0.11745%0.445CS..THydrogen-bonded Turntrans-57.1-21.5173.7-78.6176-5.600114.6N20 K247 E249N20-Q251 PolarHBondContact ND2-O 3.34Å; N20-Q251 WeakPolarHBondContact OD1-CB 3.48Å; N20-Q251 PolarHBondContact OD1-O 2.95Å; K247-Q251 PolarHBondContact O-N 3.45Å; E249-Q251 PolarHBondContact O-N 3.17Å
252G67.5Low74.5Confident8 Ų890.4 Ų90.48%0.08247%0.469CS..THydrogen-bonded Turntrans-101.92.4178.900000114.8E249 D250E249-G252 PolarHBondContact O-N 3.11Å; D250-G252 PolarHBondContact O-N 3.22Å
253K75.5Confident73.5Confident104 Ų10490.2 Ų90.245%0.45247%0.471SS..SBendtrans-95.1148.5178.4-62.9179.6-175162.20109.8E109 D250 K255E109-K253 WeakPolarHBondContact OE1-CA 3.48Å; D250-K253 PolarHBondContact O-N 3Å; D250-K253 WeakPolarHBondContact OD1-CD 3.45Å; D250-K253 WeakPolarHBondContact OD1-CE 3.39Å; D250-K253 IonicContact OD1-NZ 3.69Å; D250-K253 PolarHBondContact OD1-NZ 2.89Å; K253-K255 PolarHBondContact O-N 3.49Å
254V68.8Low72.5Confident58 Ų5892.3 Ų92.335%0.35247%0.47SS..PPolyproline II helixtrans-63.9129.6168.8-179.20000107.8A104 L105 E109 Q256A104-V254 HydrophobicContact CB-CG2 4.34Å; L105-V254 HydrophobicContact CD2-CG1 3.95Å; L105-V254 HydrophobicContact CD2-CG2 4.1Å; E109-V254 HydrophobicContact CG-CG2 4.19Å; E109-V254 WeakPolarHBondContact OE1-CG2 3.48Å; E109-V254 PolarHBondContact OE1-N 3.14Å; V254-Q256 PolarHBondContact O-N 3.09Å; V254-Q256 VanDerWaalsContact O-N 3.09Å
255K62.4Low71.3Confident184 Ų18496.8 Ų96.880%0.849%0.486SS*.PPolyproline II helixtrans-62.3116.8170.3-76.3-174.5177.4-178.80107.3K253 T257K253-K255 PolarHBondContact O-N 3.49Å; K255-T257 PolarHBondContact O-N 3.06Å
256Q48.3Very low69.9Low189 Ų189102.3 Ų102.388%0.88351%0.514SS*.  trans-62.4111.9166.6-67.6-175.34.100106.8V254V254-Q256 PolarHBondContact O-N 3.09Å; V254-Q256 VanDerWaalsContact O-N 3.09Å
257T37.4Very low68.4Low127 Ų12797.1 Ų97.178%0.77951%0.505SS*.  trans-64.2132.7168.1-360000107.1K255K255-T257 PolarHBondContact O-N 3.06Å
258P41.7Very low66.6Low195 Ų19595.5 Ų95.5100%1.26651%0.505SS*.  trans-59.90171.825.9-33.3000111.9

Retrieved 258 of 258 residues in 760.5 ms (Link to these results)

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