A0A096NIH2_PAPAN Loading...

DNA polymerase eta

AlphaFold DB , UniProt , Accession A0A096NIH2, Species PAPAN (Papio anubis, Olive baboon), Gene POLH, Length 712 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
1M72.9Confident94.4Very high222 Ų22247.8 Ų47.8100%1.09427%0.269SS*.  0158.50-72.8176.4169.600108.4
2A89.1Confident94.8Very high82 Ų8244 Ų4468%0.67825%0.247SC*.  trans-75.4139.5162.400000109.1I305A2-I305 WeakPolarHBondContact O-CD1 3.27Å
3T93.3Very high95.1Very high59 Ų5942.8 Ų42.836%0.36224%0.24SC..  trans-100.7-2.5-178.151.70000113.6Q5 H240T3-Q5 VanDerWaalsContact C-N 3.3Å; T3-Q5 VanDerWaalsContact CB-OE1 3.23Å; T3-Q5 PolarHBondContact O-N 2.92Å; T3-Q5 WeakPolarHBondContact OG1-CG 3.27Å; T3-Q5 PolarHBondContact OG1-OE1 3.22Å; T3-H240 PolarHBondContact O-CE1 3.04Å; T3-H240 PolarHBondContact O-ND1 3.38Å
4G95.2Very high95.3Very high4 Ų440.1 Ų40.14%0.04122%0.224CC..SBendtrans68.228-177.900000113.9D6 H218G4-D6 VanDerWaalsContact C-OD1 3.32Å; G4-D6 WeakPolarHBondContact CA-OD1 3.28Å; G4-H218 WeakPolarHBondContact O-CB 3.24Å
5Q97.5Very high95.6Very high40 Ų4037.7 Ų37.719%0.18721%0.211CC..  trans-100.917-178-61.1-177.9-84.700112.8T3 R7 P186 H240T3-Q5 VanDerWaalsContact C-N 3.3Å; T3-Q5 VanDerWaalsContact CB-OE1 3.23Å; T3-Q5 PolarHBondContact O-N 2.92Å; T3-Q5 WeakPolarHBondContact OG1-CG 3.27Å; T3-Q5 PolarHBondContact OG1-OE1 3.22Å; Q5-R7 PolarHBondContact O-N 3.1Å; Q5-P186 HydrophobicContact CB-CB 3.96Å; Q5-P186 HydrophobicContact CB-CG 4Å; Q5-P186 HydrophobicContact CG-CB 4.41Å; Q5-H240 HydrophobicContact CG-CB 3.92Å
6D96.9Very high95.7Very high91 Ų9136.5 Ų36.549%0.48721%0.206SC..SBendtrans-68.6-11.3-174.346.6-79.5000115.6G4G4-D6 VanDerWaalsContact C-OD1 3.32Å; G4-D6 WeakPolarHBondContact CA-OD1 3.28Å
7R98.1Very high95.9Very high28 Ų2834.6 Ų34.611%0.10620%0.195CC..  trans-142.1163.4-171.1-71.5174.9-66.8147.46.3112.2Q5 V9 T122 H218 E306 D308Q5-R7 PolarHBondContact O-N 3.1Å; R7-V9 HydrophobicContact CB-CG2 4.04Å; R7-T122 WeakPolarHBondContact CA-OG1 3.45Å; R7-H218 WeakPolarHBondContact O-CA 3.5Å; R7-H218 PolarHBondContact O-ND1 3.32Å; R7-E306 PolarHBondContact NH2-O 3.34Å; R7-E306 IonicContact NH2-OE2 2.65Å; R7-D308 PolarHBondContact NH1-O 2.65Å
8V98.8Very high96Very high0 Ų034 Ų340%019%0.19CC..  trans-117.4115162.3-177.10000108.3L121 T122 V125 Q189 L190 I216V8-L121 HydrophobicContact CB-CB 4.35Å; V8-L121 HydrophobicContact CG1-CB 4.11Å; V8-L121 PolarHBondContact O-N 3.35Å; V8-T122 PolarHBondContact N-OG1 2.91Å; V8-V125 HydrophobicContact CB-CG2 4.2Å; V8-V125 HydrophobicContact CG1-CG2 4.13Å; V8-V125 HydrophobicContact CG2-CG1 4.41Å; V8-V125 HydrophobicContact CG2-CG2 4.21Å; V8-Q189 HydrophobicContact CG2-CB 3.84Å; V8-L190 HydrophobicContact CG1-CD2 4.17Å; V8-L190 HydrophobicContact CG2-CD2 4.38Å; V8-I216 HydrophobicContact CG1-CG2 4.17Å
9V98.8Very high96.2Very high0 Ų032.2 Ų32.20%018%0.18CC..EExtended strand (participates in β ladder)trans-122.1125.9-174.4178.90000109.5R7 Y118 I119 S217 K220 A223 V310R7-V9 HydrophobicContact CB-CG2 4.04Å; V9-Y118 HydrophobicContact CG1-CD1 4.34Å; V9-I119 WeakPolarHBondContact CA-O 3.46Å; V9-S217 CarbonylContact C-O 3.42Å; V9-S217 WeakPolarHBondContact CA-O 3.25Å; V9-S217 PolarHBondContact N-O 2.85Å; V9-S217 PolarHBondContact O-N 3.11Å; V9-K220 HydrophobicContact CG1-CG 3.78Å; V9-A223 HydrophobicContact CG1-CB 4.26Å; V9-A223 WeakPolarHBondContact O-CB 3.23Å; V9-V310 HydrophobicContact CG1-CG2 4.06Å; V9-V310 HydrophobicContact CG2-CG2 4.42Å
10A98.9Very high96.3Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-104.5155.6170.700000111.5Y118 I119 L121 V197 G215A10-Y118 CarbonylContact O-C 3.45Å; A10-Y118 VanDerWaalsContact O-CA 3.29Å; A10-Y118 WeakPolarHBondContact O-CA 3.15Å; A10-I119 HydrophobicContact CB-CB 4.36Å; A10-I119 HydrophobicContact CB-CD1 4.06Å; A10-I119 PolarHBondContact N-O 3.16Å; A10-I119 PolarHBondContact O-N 3.38Å; A10-L121 HydrophobicContact CB-CD1 3.74Å; A10-L121 HydrophobicContact CB-CG 4.46Å; A10-V197 HydrophobicContact CB-CG2 3.75Å; A10-G215 CarbonylContact C-O 3.49Å; A10-G215 VanDerWaalsContact CA-O 3.28Å; A10-G215 WeakPolarHBondContact CA-O 3.43Å
11L98.9Very high96.4Very high0 Ų030.4 Ų30.40%017%0.169CC..EExtended strand (participates in β ladder)trans-128.8121.2163.5-177.2-80.2000107.4D13 E116 A117 Y118 A214 G215 A223 K224 C227L11-D13 HydrophobicContact CD1-CB 3.98Å; L11-E116 HydrophobicContact CD2-CB 4.2Å; L11-E116 HydrophobicContact CD2-CG 4.07Å; L11-A117 WeakPolarHBondContact CA-O 3.36Å; L11-A117 VanDerWaalsContact CD2-C 3.48Å; L11-A117 VanDerWaalsContact CD2-O 3.22Å; L11-A117 WeakPolarHBondContact CD2-O 3.48Å; L11-Y118 HydrophobicContact CB-CD1 3.76Å; L11-Y118 HydrophobicContact CB-CE1 3.7Å; L11-Y118 HydrophobicContact CD2-CD1 3.76Å; L11-Y118 HydrophobicContact CD2-CD2 4.04Å; L11-Y118 HydrophobicContact CD2-CE1 3.75Å; L11-Y118 HydrophobicContact CD2-CE2 4.03Å; L11-Y118 HydrophobicContact CD2-CG 3.94Å; L11-Y118 HydrophobicContact CG-CD1 4.01Å; L11-Y118 HydrophobicContact CG-CE1 3.69Å; L11-A214 CarbonylContact O-C 3.59Å; L11-A214 WeakPolarHBondContact O-CA 3.18Å; L11-A214 WeakPolarHBondContact O-CB 3.4Å; L11-G215 PolarHBondContact N-O 3.33Å; L11-G215 PolarHBondContact O-N 2.93Å; L11-A223 HydrophobicContact CB-CB 4.04Å; L11-K224 HydrophobicContact CD1-CD 3.45Å; L11-K224 VanDerWaalsContact CD1-CD 3.45Å; L11-K224 HydrophobicContact CG-CB 4.18Å; L11-K224 HydrophobicContact CG-CD 3.8Å; L11-C227 HydrophobicContact CD1-CB 3.76Å
12V98.9Very high97.7Very high2 Ų220.6 Ų20.61%0.01212%0.12CC..EExtended strand (participates in β ladder)trans-103.2136.5172.7176.60000108.7M103 E116 A117 I119 M200 I204 C212 A214V12-M103 HydrophobicContact CB-SD 3.87Å; V12-M103 HydrophobicContact CG1-SD 4.01Å; V12-M103 HydrophobicContact CG2-SD 4.31Å; V12-E116 WeakPolarHBondContact O-CA 3.48Å; V12-E116 WeakPolarHBondContact O-CB 3.43Å; V12-A117 PolarHBondContact N-O 3.22Å; V12-A117 PolarHBondContact O-N 3.46Å; V12-A117 VanDerWaalsContact O-N 3.09Å; V12-I119 HydrophobicContact CB-CD1 4.22Å; V12-I119 HydrophobicContact CG2-CD1 3.67Å; V12-M200 HydrophobicContact CG2-SD 3.99Å; V12-I204 HydrophobicContact CG1-CD1 4.2Å; V12-C212 HydrophobicContact CG1-CB 4.12Å; V12-A214 HydrophobicContact CG2-CB 4.02Å
13D98.9Very high98.1Very high29 Ų2917.7 Ų17.716%0.1559%0.093CC..EExtended strand (participates in β ladder)trans-139.2116.2-175.3-179.3-59.3000109.6L11 D115 E116 S213 K224 C227 K231L11-D13 HydrophobicContact CD1-CB 3.98Å; D13-D115 WeakPolarHBondContact CA-O 3.47Å; D13-E116 HydrophobicContact CB-CB 4.36Å; D13-S213 PolarHBondContact N-O 2.93Å; D13-S213 PolarHBondContact O-N 3.14Å; D13-S213 VanDerWaalsContact O-N 3.1Å; D13-K224 IonicContact OD2-NZ 3.67Å; D13-K224 PolarHBondContact OD2-NZ 2.64Å; D13-C227 WeakPolarHBondContact CB-SG 3.29Å; D13-K231 PolarHBondContact O-NZ 3Å; D13-K231 WeakPolarHBondContact OD1-CE 3.3Å; D13-K231 IonicContact OD1-NZ 3.39Å; D13-K231 PolarHBondContact OD1-NZ 3.1Å
14M98.8Very high98.3Very high4 Ų418.8 Ų18.82%0.029%0.09CC..EExtended strand (participates in β ladder)trans-69.5127.5-174.4-60.3-50.6-63.500112.3C16 F17 V99 D115 I204 F210 C212M14-C16 PolarHBondContact O-N 2.73Å; M14-F17 HydrophobicContact CB-CB 3.84Å; M14-F17 HydrophobicContact CB-CD2 3.57Å; M14-F17 HydrophobicContact CB-CE2 4.39Å; M14-F17 HydrophobicContact CB-CG 3.89Å; M14-F17 HydrophobicContact CG-CD2 3.95Å; M14-F17 HydrophobicContact CG-CE2 4.28Å; M14-F17 HydrophobicContact CG-CG 4.49Å; M14-F17 PolarHBondContact O-N 2.67Å; M14-V99 HydrophobicContact CE-CG1 4.39Å; M14-V99 HydrophobicContact CE-CG2 4.04Å; M14-V99 HydrophobicContact CG-CG1 4.29Å; M14-V99 HydrophobicContact SD-CB 4.5Å; M14-V99 HydrophobicContact SD-CG1 3.56Å; M14-V99 VanDerWaalsContact SD-CG1 3.56Å; M14-V99 HydrophobicContact SD-CG2 4.17Å; M14-D115 HydrophobicContact CB-CB 4.15Å; M14-D115 WeakPolarHBondContact CG-O 3.39Å; M14-D115 PolarHBondContact N-O 3.23Å; M14-I204 HydrophobicContact CE-CG2 3.72Å; M14-I204 HydrophobicContact SD-CG2 4.21Å; M14-F210 HydrophobicContact CE-CB 3.33Å; M14-F210 HydrophobicContact CE-CD2 4.39Å; M14-F210 HydrophobicContact CE-CG 4.27Å; M14-C212 HydrophobicContact CE-CB 3.82Å; M14-C212 HydrophobicContact SD-CB 3.46Å; M14-C212 WeakPolarHBondContact SD-CB 3.37Å
15D98.5Very high98.4Very high4 Ų424.8 Ų24.82%0.02112%0.117CC..THydrogen-bonded Turntrans-73124.3-170.1-89.1-50.5000113F17 Q20 Y52 Q211 S213 K231 P232 N233D15-F17 PolarHBondContact O-N 3.16Å; D15-Q20 WeakPolarHBondContact O-CG 3.46Å; D15-Q20 PolarHBondContact O-NE2 3.43Å; D15-Y52 HydrophobicContact CB-CE2 3.94Å; D15-Y52 PolarHBondContact OD1-OH 3.27Å; D15-Q211 PolarHBondContact N-O 3.35Å; D15-Q211 VanDerWaalsContact N-O 3.16Å; D15-S213 PolarHBondContact OD2-N 3.5Å; D15-S213 PolarHBondContact OD2-OG 3.46Å; D15-K231 WeakPolarHBondContact OD1-CG 3.5Å; D15-K231 IonicContact OD1-NZ 2.7Å; D15-K231 PolarHBondContact OD1-NZ 3.04Å; D15-K231 IonicContact OD2-NZ 2.73Å; D15-P232 HydrophobicContact CB-CB 4.35Å; D15-P232 WeakPolarHBondContact OD2-CA 3.4Å; D15-N233 PolarHBondContact OD2-N 2.76Å
16C97.8Very high98.4Very high19 Ų1925.9 Ų25.913%0.12812%0.124CC..THydrogen-bonded Turntrans45.728.3-174.868.50000115.1M14 F18 V19 V50 Y52M14-C16 PolarHBondContact O-N 2.73Å; C16-F18 PolarHBondContact O-N 3.02Å; C16-V19 HydrophobicContact CB-CB 4.36Å; C16-V19 WeakPolarHBondContact O-CB 3.31Å; C16-V19 PolarHBondContact O-N 3.18Å; C16-V50 WeakPolarHBondContact CB-O 3.34Å; C16-Y52 HydrophobicContact CB-CD2 4.37Å; C16-Y52 HydrophobicContact CB-CE2 4.06Å
17F98.8Very high98.4Very high4 Ų425.2 Ų25.22%0.01813%0.125CC..THydrogen-bonded Turntrans-25.4-59.8-155.2-175.6-133.5000117.8M14 D15 V19 Q20 V21 Y92 A95 I114 D115 F210M14-F17 HydrophobicContact CB-CB 3.84Å; M14-F17 HydrophobicContact CB-CD2 3.57Å; M14-F17 HydrophobicContact CB-CE2 4.39Å; M14-F17 HydrophobicContact CB-CG 3.89Å; M14-F17 HydrophobicContact CG-CD2 3.95Å; M14-F17 HydrophobicContact CG-CE2 4.28Å; M14-F17 HydrophobicContact CG-CG 4.49Å; M14-F17 PolarHBondContact O-N 2.67Å; D15-F17 PolarHBondContact O-N 3.16Å; F17-V19 PolarHBondContact O-N 3.2Å; F17-Q20 WeakPolarHBondContact O-CB 3.44Å; F17-Q20 PolarHBondContact O-N 3.24Å; F17-V21 HydrophobicContact CD2-CG2 4.09Å; F17-V21 HydrophobicContact CE1-CG2 4.48Å; F17-V21 HydrophobicContact CE2-CG2 3.72Å; F17-V21 HydrophobicContact CZ-CG2 3.94Å; F17-V21 WeakPolarHBondContact O-CG2 3.09Å; F17-V21 PolarHBondContact O-N 3.46Å; F17-Y92 WeakPolarHBondContact CE1-O 3.45Å; F17-A95 HydrophobicContact CE2-CB 4.31Å; F17-A95 HydrophobicContact CZ-CB 3.86Å; F17-I114 HydrophobicContact CE1-CG1 4.33Å; F17-D115 HydrophobicContact CB-CB 3.73Å; F17-D115 HydrophobicContact CD1-CB 3.69Å; F17-D115 HydrophobicContact CG-CB 3.83Å; F17-F210 HydrophobicContact CE2-CD2 4.32Å; F17-F210 HydrophobicContact CE2-CE2 4.26Å
18F98.8Very high98.4Very high24 Ų2430.5 Ų30.511%0.10515%0.15CC..Hα-helixtrans-62.4-30.7-175.1-71.820.5000112.3C16 V21 E22 V36 I48 A49 L89 Y92 I114C16-F18 PolarHBondContact O-N 3.02Å; F18-V21 PolarHBondContact O-N 3.18Å; F18-E22 WeakPolarHBondContact O-CG 3.09Å; F18-E22 PolarHBondContact O-N 3.48Å; F18-V36 HydrophobicContact CB-CB 4.35Å; F18-V36 HydrophobicContact CB-CG1 4.41Å; F18-V36 HydrophobicContact CB-CG2 4.03Å; F18-I48 HydrophobicContact CD2-CD1 3.48Å; F18-I48 VanDerWaalsContact CD2-CD1 3.48Å; F18-I48 HydrophobicContact CD2-CG1 4.41Å; F18-I48 HydrophobicContact CE2-CD1 3.66Å; F18-A49 HydrophobicContact CB-CB 3.98Å; F18-L89 HydrophobicContact CE2-CD2 4.01Å; F18-Y92 HydrophobicContact CB-CD1 3.85Å; F18-Y92 HydrophobicContact CB-CE1 3.86Å; F18-Y92 HydrophobicContact CB-CG 4.5Å; F18-Y92 AromaticContact CD1-CD1 3.79Å; F18-Y92 HydrophobicContact CD1-CD1 3.79Å; F18-Y92 HydrophobicContact CD1-CD2 4.47Å; F18-Y92 AromaticContact CD1-CG 3.74Å; F18-Y92 HydrophobicContact CD1-CG 3.74Å; F18-Y92 AromaticContact CD2-CD1 3.88Å; F18-Y92 HydrophobicContact CD2-CD1 3.88Å; F18-Y92 AromaticContact CD2-CD2 3.7Å; F18-Y92 HydrophobicContact CD2-CD2 3.7Å; F18-Y92 HydrophobicContact CD2-CE1 4.05Å; F18-Y92 AromaticContact CD2-CE2 3.85Å; F18-Y92 HydrophobicContact CD2-CE2 3.85Å; F18-Y92 AromaticContact CD2-CG 3.73Å; F18-Y92 HydrophobicContact CD2-CG 3.73Å; F18-Y92 VanDerWaalsContact CE1-CB 3.48Å; F18-Y92 HydrophobicContact CE1-CD1 4.34Å; F18-Y92 HydrophobicContact CE1-CD2 4.36Å; F18-Y92 AromaticContact CE1-CG 3.81Å; F18-Y92 HydrophobicContact CE1-CG 3.81Å; F18-Y92 HydrophobicContact CE2-CD1 4.43Å; F18-Y92 AromaticContact CE2-CD2 3.57Å; F18-Y92 HydrophobicContact CE2-CD2 3.57Å; F18-Y92 HydrophobicContact CE2-CE2 4.03Å; F18-Y92 AromaticContact CE2-CG 3.81Å; F18-Y92 HydrophobicContact CE2-CG 3.81Å; F18-Y92 AromaticContact CG-CD1 3.55Å; F18-Y92 HydrophobicContact CG-CD1 3.55Å; F18-Y92 HydrophobicContact CG-CD2 4.19Å; F18-Y92 AromaticContact CG-CE1 3.93Å; F18-Y92 HydrophobicContact CG-CE1 3.93Å; F18-Y92 HydrophobicContact CG-CE2 4.49Å; F18-Y92 AromaticContact CG-CG 3.72Å; F18-Y92 HydrophobicContact CG-CG 3.72Å; F18-Y92 AromaticContact CZ-CD2 3.93Å; F18-Y92 HydrophobicContact CZ-CD2 3.93Å; F18-Y92 AromaticContact CZ-CG 3.86Å; F18-Y92 HydrophobicContact CZ-CG 3.86Å; F18-I114 HydrophobicContact CE1-CD1 4.05Å; F18-I114 HydrophobicContact CE1-CG2 3.88Å; F18-I114 HydrophobicContact CZ-CD1 4.1Å; F18-I114 HydrophobicContact CZ-CG2 4.34Å
19V98.8Very high98.4Very high0 Ų031.3 Ų31.30%016%0.155CC..Hα-helixtrans-65.8-45.2173.7177.70000110.4C16 F17 V21 E22 Q23 C34 V36 A49C16-V19 HydrophobicContact CB-CB 4.36Å; C16-V19 WeakPolarHBondContact O-CB 3.31Å; C16-V19 PolarHBondContact O-N 3.18Å; F17-V19 PolarHBondContact O-N 3.2Å; V19-V21 VanDerWaalsContact C-N 3.3Å; V19-V21 PolarHBondContact O-N 2.97Å; V19-E22 PolarHBondContact O-N 3.04Å; V19-E22 VanDerWaalsContact O-N 3.12Å; V19-Q23 HydrophobicContact CG1-CG 4.02Å; V19-Q23 WeakPolarHBondContact O-CB 3.3Å; V19-Q23 VanDerWaalsContact O-CG 3.3Å; V19-Q23 WeakPolarHBondContact O-CG 3.4Å; V19-Q23 PolarHBondContact O-N 3.3Å; V19-C34 HydrophobicContact CG1-CB 3.92Å; V19-V36 HydrophobicContact CB-CG2 4.44Å; V19-V36 HydrophobicContact CG2-CG2 3.86Å; V19-A49 HydrophobicContact CG2-CB 4.03Å
20Q98.8Very high98.3Very high21 Ų2137.1 Ų37.110%0.09818%0.177CC..Hα-helixtrans-60.9-37.5175-77.5-162.591.600112.7D15 F17 E22 Q23 R24 F210 Q211D15-Q20 WeakPolarHBondContact O-CG 3.46Å; D15-Q20 PolarHBondContact O-NE2 3.43Å; F17-Q20 WeakPolarHBondContact O-CB 3.44Å; F17-Q20 PolarHBondContact O-N 3.24Å; Q20-E22 VanDerWaalsContact C-N 3.32Å; Q20-E22 PolarHBondContact O-N 2.76Å; Q20-Q23 PolarHBondContact O-N 2.85Å; Q20-R24 WeakPolarHBondContact O-CB 3.4Å; Q20-R24 PolarHBondContact O-N 3.17Å; Q20-F210 HydrophobicContact CB-CD1 3.92Å; Q20-F210 HydrophobicContact CB-CE1 4.42Å; Q20-Q211 PolarHBondContact NE2-O 2.87Å
21V98.8Very high98.2Very high5 Ų544.2 Ų44.23%0.0321%0.214CC..Hα-helixtrans-59.9-41.7174177.10000111.6F17 F18 V19 Q25 K91 Y92 A95 F210F17-V21 HydrophobicContact CD2-CG2 4.09Å; F17-V21 HydrophobicContact CE1-CG2 4.48Å; F17-V21 HydrophobicContact CE2-CG2 3.72Å; F17-V21 HydrophobicContact CZ-CG2 3.94Å; F17-V21 WeakPolarHBondContact O-CG2 3.09Å; F17-V21 PolarHBondContact O-N 3.46Å; F18-V21 PolarHBondContact O-N 3.18Å; V19-V21 VanDerWaalsContact C-N 3.3Å; V19-V21 PolarHBondContact O-N 2.97Å; V21-Q25 PolarHBondContact O-N 3.48Å; V21-K91 HydrophobicContact CG1-CD 3.59Å; V21-K91 HydrophobicContact CG1-CG 3.85Å; V21-Y92 HydrophobicContact CB-CD1 3.87Å; V21-Y92 HydrophobicContact CB-CE1 4.16Å; V21-Y92 HydrophobicContact CG1-CD1 3.75Å; V21-Y92 HydrophobicContact CG1-CE1 4.01Å; V21-Y92 HydrophobicContact CG2-CD1 4.16Å; V21-A95 HydrophobicContact CG1-CB 4.24Å; V21-A95 HydrophobicContact CG2-CB 3.68Å; V21-F210 HydrophobicContact CB-CE1 4.49Å; V21-F210 HydrophobicContact CB-CZ 4.41Å; V21-F210 HydrophobicContact CG2-CE1 4.08Å; V21-F210 HydrophobicContact CG2-CE2 4.42Å; V21-F210 HydrophobicContact CG2-CZ 3.75Å
22E98.7Very high98.2Very high16 Ų1648.7 Ų48.78%0.07523%0.234CC..Hα-helixtrans-74.5-36.2176-59.6-61.2155.200112.6F18 V19 Q20 Q25 N26 L29 V36 A78 K91 Y92F18-E22 WeakPolarHBondContact O-CG 3.09Å; F18-E22 PolarHBondContact O-N 3.48Å; V19-E22 PolarHBondContact O-N 3.04Å; V19-E22 VanDerWaalsContact O-N 3.12Å; Q20-E22 VanDerWaalsContact C-N 3.32Å; Q20-E22 PolarHBondContact O-N 2.76Å; E22-Q25 PolarHBondContact O-N 3.08Å; E22-N26 PolarHBondContact O-N 3.45Å; E22-L29 HydrophobicContact CB-CD1 4.12Å; E22-V36 HydrophobicContact CG-CG2 3.92Å; E22-A78 HydrophobicContact CB-CB 3.83Å; E22-A78 HydrophobicContact CG-CB 3.62Å; E22-K91 WeakPolarHBondContact OE1-CE 3.41Å; E22-K91 IonicContact OE1-NZ 3.26Å; E22-K91 PolarHBondContact OE1-NZ 2.8Å; E22-K91 IonicContact OE2-NZ 3.69Å; E22-K91 PolarHBondContact OE2-NZ 3.15Å; E22-Y92 HydrophobicContact CG-CE1 4.34Å; E22-Y92 VanDerWaalsContact OE1-CE1 3.28Å; E22-Y92 WeakPolarHBondContact OE1-CE1 3.32Å; E22-Y92 VanDerWaalsContact OE1-CZ 3.29Å; E22-Y92 PolarHBondContact OE1-OH 3.42Å
23Q98.4Very high98.2Very high21 Ų2149.8 Ų49.810%0.09824%0.241CC..Hα-helixtrans-67.6-33.5175.2-74.9176.9-41.500112.8V19 Q20 N26 L29 R30V19-Q23 HydrophobicContact CG1-CG 4.02Å; V19-Q23 WeakPolarHBondContact O-CB 3.3Å; V19-Q23 VanDerWaalsContact O-CG 3.3Å; V19-Q23 WeakPolarHBondContact O-CG 3.4Å; V19-Q23 PolarHBondContact O-N 3.3Å; Q20-Q23 PolarHBondContact O-N 2.85Å; Q23-N26 CarbonylContact O-C 3.48Å; Q23-L29 HydrophobicContact CG-CB 3.78Å; Q23-L29 WeakPolarHBondContact CG-O 3.47Å; Q23-L29 PolarHBondContact NE2-O 2.86Å; Q23-R30 HydrophobicContact CB-CG 3.98Å; Q23-R30 WeakPolarHBondContact O-CG 3.32Å; Q23-R30 PolarHBondContact O-NE 3.32Å
24R98.1Very high98.2Very high83 Ų8348.4 Ų48.431%0.31323%0.234SC..Hα-helixtrans-61.2-50.3171.1-175.6170.881.4172.63.8109.9Q20 R30 E98 T208 F210Q20-R24 WeakPolarHBondContact O-CB 3.4Å; Q20-R24 PolarHBondContact O-N 3.17Å; R24-R30 PolarHBondContact O-NH2 3.47Å; R24-E98 IonicContact CZ-OE1 3.29Å; R24-E98 IonicContact CZ-OE2 3.83Å; R24-E98 VanDerWaalsContact CZ-OE2 3.31Å; R24-E98 IonicContact NH1-OE1 2.69Å; R24-E98 IonicContact NH1-OE2 2.76Å; R24-E98 PolarHBondContact NH1-OE2 3.45Å; R24-E98 VanDerWaalsContact NH2-CD 3.31Å; R24-E98 IonicContact NH2-OE1 2.67Å; R24-E98 PolarHBondContact NH2-OE1 3.31Å; R24-E98 IonicContact NH2-OE2 3.02Å; R24-E98 PolarHBondContact NH2-OE2 2.93Å; R24-T208 WeakPolarHBondContact CD-O 3.39Å; R24-T208 PolarHBondContact NH1-O 3.01Å; R24-F210 HydrophobicContact CB-CE1 3.82Å; R24-F210 HydrophobicContact CG-CE1 4.32Å
25Q97.3Very high98.2Very high130 Ų13048.2 Ų48.261%0.60723%0.233SC*.Hα-helixtrans-70.6-36.6-178.6-173.9176-0.900113.8V21 E22 K91V21-Q25 PolarHBondContact O-N 3.48Å; E22-Q25 PolarHBondContact O-N 3.08Å; Q25-K91 VanDerWaalsContact OE1-CE 3.27Å
26N97.7Very high98.2Very high63 Ų6348 Ų4834%0.33723%0.232SC..  trans-123.897179.2-176.56.9000111.1E22 Q23 H28 L29E22-N26 PolarHBondContact O-N 3.45Å; Q23-N26 CarbonylContact O-C 3.48Å; N26-H28 PolarHBondContact O-N 2.85Å; N26-H28 WeakPolarHBondContact OD1-CB 3.41Å; N26-H28 PolarHBondContact OD1-N 3.03Å; N26-H28 PolarHBondContact OD1-ND1 3.46Å; N26-L29 HydrophobicContact CB-CD1 4.05Å; N26-L29 HydrophobicContact CB-CG 4.17Å; N26-L29 WeakPolarHBondContact O-CB 3.37Å; N26-L29 PolarHBondContact O-N 3.36Å; N26-L29 VanDerWaalsContact O-N 3.1Å
27P97.1Very high98.2Very high77 Ų7747.3 Ų47.350%0.523%0.227SC..G310 helixtrans-55.1-25.7-179-28.936.4000115.3L29 R30P27-L29 PolarHBondContact O-N 2.92Å; P27-L29 VanDerWaalsContact O-N 3.08Å; P27-R30 WeakPolarHBondContact O-CB 3.49Å; P27-R30 PolarHBondContact O-N 2.92Å
28H97.8Very high98.2Very high138 Ų13849.7 Ų49.764%0.63924%0.238SC*.G310 helixtrans-61.7-18178.5-58.695.2000114.3N26 K32N26-H28 PolarHBondContact O-N 2.85Å; N26-H28 WeakPolarHBondContact OD1-CB 3.41Å; N26-H28 PolarHBondContact OD1-N 3.03Å; N26-H28 PolarHBondContact OD1-ND1 3.46Å; H28-K32 WeakPolarHBondContact O-CD 3.47Å; H28-K32 PolarHBondContact O-NZ 2.86Å
29L98.1Very high98.1Very high17 Ų1751.8 Ų51.89%0.08925%0.246CC..G310 helixtrans-90.8-12.4178.7-55.5179.6000113.6E22 Q23 N26 P27 L76 A78E22-L29 HydrophobicContact CB-CD1 4.12Å; Q23-L29 HydrophobicContact CG-CB 3.78Å; Q23-L29 WeakPolarHBondContact CG-O 3.47Å; Q23-L29 PolarHBondContact NE2-O 2.86Å; N26-L29 HydrophobicContact CB-CD1 4.05Å; N26-L29 HydrophobicContact CB-CG 4.17Å; N26-L29 WeakPolarHBondContact O-CB 3.37Å; N26-L29 PolarHBondContact O-N 3.36Å; N26-L29 VanDerWaalsContact O-N 3.1Å; P27-L29 PolarHBondContact O-N 2.92Å; P27-L29 VanDerWaalsContact O-N 3.08Å; L29-L76 HydrophobicContact CD2-CB 3.83Å; L29-L76 HydrophobicContact CD2-CD1 3.86Å; L29-L76 HydrophobicContact CD2-CG 4.47Å; L29-A78 HydrophobicContact CD1-CB 4.3Å
30R97Very high97.9Very high122 Ų12258.4 Ų58.446%0.4627%0.274SS..THydrogen-bonded Turntrans-67.5144.2-177.7-65.3175.8-171.3-166.25.1110.4Q23 R24 P27 K32Q23-R30 HydrophobicContact CB-CG 3.98Å; Q23-R30 WeakPolarHBondContact O-CG 3.32Å; Q23-R30 PolarHBondContact O-NE 3.32Å; R24-R30 PolarHBondContact O-NH2 3.47Å; P27-R30 WeakPolarHBondContact O-CB 3.49Å; P27-R30 PolarHBondContact O-N 2.92Å; R30-K32 VanDerWaalsContact C-N 3.31Å; R30-K32 PolarHBondContact O-N 3.49Å
31N97.1Very high97.7Very high149 Ų14963.4 Ų63.480%0.79731%0.312SS*.THydrogen-bonded Turntrans54.142.6175.6-52.9-4.8000113.3E53N31-E53 VanDerWaalsContact C-OE1 3.28Å; N31-E53 VanDerWaalsContact CA-OE1 3.23Å; N31-E53 WeakPolarHBondContact CA-OE1 3.5Å
32K98.2Very high97.6Very high94 Ų9471.4 Ų71.441%0.40934%0.342SS..SBendtrans-147.6154-174.4-75.1-175.2-167.3168.50111.1H28 R30 C34 S51 E53 L76H28-K32 WeakPolarHBondContact O-CD 3.47Å; H28-K32 PolarHBondContact O-NZ 2.86Å; R30-K32 VanDerWaalsContact C-N 3.31Å; R30-K32 PolarHBondContact O-N 3.49Å; K32-C34 PolarHBondContact O-N 2.96Å; K32-S51 PolarHBondContact O-OG 3.08Å; K32-E53 PolarHBondContact N-OE1 3.05Å; K32-L76 HydrophobicContact CB-CD1 4.17Å; K32-L76 HydrophobicContact CD-CD1 3.64Å
33P98.5Very high97.4Very high26 Ų2674.3 Ų74.317%0.16935%0.354CS..  trans-59.9107.917226.1-34.5000110.1E53 A54 F57 L75 L76P33-E53 HydrophobicContact CB-CB 4.47Å; P33-A54 HydrophobicContact CB-CB 3.88Å; P33-F57 HydrophobicContact CB-CE2 4.46Å; P33-L75 HydrophobicContact CB-CD1 4.43Å; P33-L76 PolarHBondContact O-N 3.44Å
34C98.5Very high97.3Very high0 Ų074 Ų740%036%0.357CS..EExtended strand (participates in β ladder)trans-135.3142.6-174.8-170.70000111.6V19 K32 S51 L76V19-C34 HydrophobicContact CG1-CB 3.92Å; K32-C34 PolarHBondContact O-N 2.96Å; C34-S51 PolarHBondContact N-OG 3.01Å; C34-S51 VanDerWaalsContact O-CB 3.31Å; C34-S51 WeakPolarHBondContact O-CB 3.17Å; C34-S51 PolarHBondContact O-N 3.2Å; C34-L76 CarbonylContact C-O 3.58Å; C34-L76 WeakPolarHBondContact CA-O 3.42Å; C34-L76 HydrophobicContact CB-CB 4.45Å
35A98.8Very high97.2Very high0 Ų070.1 Ų70.10%034%0.343CS..EExtended strand (participates in β ladder)trans-136.2152174.800000112.1I47 A49 V50 L75 L76 L77 A78A35-I47 HydrophobicContact CB-CD1 4.26Å; A35-I47 HydrophobicContact CB-CG1 4.37Å; A35-I47 HydrophobicContact CB-CG2 4.13Å; A35-A49 CarbonylContact C-O 3.58Å; A35-A49 VanDerWaalsContact CA-O 3.31Å; A35-A49 WeakPolarHBondContact CA-O 3.41Å; A35-V50 HydrophobicContact CB-CG2 4.48Å; A35-L75 HydrophobicContact CB-CD1 4.06Å; A35-L75 HydrophobicContact CB-CD2 4.48Å; A35-L76 PolarHBondContact N-O 3.45Å; A35-L77 HydrophobicContact CB-CD2 4.1Å; A35-L77 WeakPolarHBondContact O-CA 3.38Å; A35-A78 PolarHBondContact O-N 2.76Å
36V98.8Very high97.3Very high0 Ų064.9 Ų64.90%032%0.323CS..EExtended strand (participates in β ladder)trans-102.4130.6172.7-179.70000109.8F18 V19 E22 I48 A49 A78 V80F18-V36 HydrophobicContact CB-CB 4.35Å; F18-V36 HydrophobicContact CB-CG1 4.41Å; F18-V36 HydrophobicContact CB-CG2 4.03Å; V19-V36 HydrophobicContact CB-CG2 4.44Å; V19-V36 HydrophobicContact CG2-CG2 3.86Å; E22-V36 HydrophobicContact CG-CG2 3.92Å; V36-I48 HydrophobicContact CB-CG1 4.15Å; V36-I48 HydrophobicContact CG1-CD1 3.92Å; V36-I48 HydrophobicContact CG1-CG1 3.91Å; V36-I48 VanDerWaalsContact O-CG1 3.29Å; V36-I48 WeakPolarHBondContact O-CG1 3.39Å; V36-I48 PolarHBondContact O-N 3.41Å; V36-A49 HydrophobicContact CB-CB 4.4Å; V36-A49 PolarHBondContact N-O 3.16Å; V36-A78 VanDerWaalsContact CA-O 3.3Å; V36-A78 WeakPolarHBondContact CA-O 3.46Å; V36-A78 HydrophobicContact CG2-CB 4.41Å; V36-V80 HydrophobicContact CG1-CG2 3.65Å
37V98.6Very high97.3Very high4 Ų462 Ų622%0.02431%0.308CS..EExtended strand (participates in β ladder)trans-119.6146.4-176.7-66.90000112.7G46 I47 A65 L77 A78 Q79 V80V37-G46 WeakPolarHBondContact CA-O 3.4Å; V37-I47 HydrophobicContact CG1-CG1 3.68Å; V37-A65 HydrophobicContact CG1-CB 4.02Å; V37-L77 HydrophobicContact CG1-CD2 4.04Å; V37-A78 PolarHBondContact N-O 3.28Å; V37-Q79 HydrophobicContact CG2-CB 4.18Å; V37-Q79 HydrophobicContact CG2-CG 4.46Å; V37-V80 WeakPolarHBondContact O-CG2 3.4Å; V37-V80 PolarHBondContact O-N 2.89Å
38Q97.8Very high97.4Very high53 Ų5360.4 Ų60.425%0.24830%0.295CS..EExtended strand (participates in β ladder)trans-103.3133166.3-70.5-172.716.600111.1G45 G46 I48 V80 A87Q38-G45 WeakPolarHBondContact O-CA 3.36Å; Q38-G46 PolarHBondContact N-O 3.46Å; Q38-G46 PolarHBondContact O-N 2.69Å; Q38-G46 VanDerWaalsContact O-N 3.08Å; Q38-I48 HydrophobicContact CG-CD1 3.99Å; Q38-I48 HydrophobicContact CG-CG2 4.06Å; Q38-V80 HydrophobicContact CG-CB 4.06Å; Q38-V80 HydrophobicContact CG-CG1 4.46Å; Q38-V80 HydrophobicContact CG-CG2 3.76Å; Q38-A87 HydrophobicContact CG-CB 4.15Å
39Y97.2Very high97.4Very high68 Ų6854.6 Ų54.627%0.26727%0.27SS..  trans59.1180-172.8-48.3-75.6000112.4G45 E82 A87Y39-G45 VanDerWaalsContact O-CA 3.27Å; Y39-G45 WeakPolarHBondContact O-CA 3.11Å; Y39-E82 WeakPolarHBondContact CA-OE1 3.49Å; Y39-E82 VanDerWaalsContact CD1-OE2 3.25Å; Y39-E82 WeakPolarHBondContact CD1-OE2 3.09Å; Y39-E82 WeakPolarHBondContact CE1-OE2 3.42Å; Y39-A87 HydrophobicContact CE2-CB 4.39Å; Y39-A87 PolarHBondContact OH-N 2.85Å
40K95.1Very high97.4Very high139 Ų13954 Ų5460%0.60427%0.267SS*.SBendtrans-144.1-32-179.1-172.5172.2-179.9177.70114.8W42 G44K40-W42 PolarHBondContact O-N 3.13Å; K40-G44 CarbonylContact O-C 3.35Å; K40-G44 VanDerWaalsContact O-CA 3.31Å; K40-G44 WeakPolarHBondContact O-CA 3.45Å; K40-G44 PolarHBondContact O-N 3Å
41S94.4Very high97.5Very high126 Ų12648.2 Ų48.288%0.88125%0.245SC*.THydrogen-bonded Turntrans-69.4-11.5-171.851.30000115.9
42W95.5Very high97.6Very high174 Ų17443.8 Ų43.866%0.65922%0.218SC*.THydrogen-bonded Turntrans-120.4114.2175.5-177.6-90.3000110.2K40 G44 G45 W64K40-W42 PolarHBondContact O-N 3.13Å; W42-G44 PolarHBondContact O-N 3.41Å; W42-G45 PolarHBondContact O-N 3Å; W42-W64 AromaticContact CD1-CH2 3.68Å; W42-W64 AromaticContact CD1-CZ3 3.58Å; W42-W64 AromaticContact NE1-CH2 3.84Å; W42-W64 AromaticContact NE1-CZ2 3.95Å
43K96.1Very high97.6Very high76 Ų7642.4 Ų42.433%0.3321%0.213SC..THydrogen-bonded Turntrans47.539.6-178.9-60.5-179.3115.5-68.70114G45 W64 A65 D66 D67K43-G45 PolarHBondContact O-N 3.11Å; K43-W64 HydrophobicContact CB-CB 3.7Å; K43-W64 HydrophobicContact CB-CD2 3.91Å; K43-W64 HydrophobicContact CB-CE3 4.06Å; K43-W64 HydrophobicContact CB-CG 3.76Å; K43-W64 HydrophobicContact CD-CB 4.47Å; K43-W64 HydrophobicContact CD-CD2 4.04Å; K43-W64 HydrophobicContact CD-CG 3.84Å; K43-W64 HydrophobicContact CG-CG 4.43Å; K43-A65 PolarHBondContact O-N 2.87Å; K43-D66 WeakPolarHBondContact CA-OD2 3.5Å; K43-D66 PolarHBondContact O-N 3.03Å; K43-D67 VanDerWaalsContact NZ-CG 3.35Å; K43-D67 IonicContact NZ-OD1 3.96Å; K43-D67 PolarHBondContact NZ-OD1 2.84Å; K43-D67 IonicContact NZ-OD2 2.77Å; K43-D67 PolarHBondContact NZ-OD2 2.77Å
44G95.2Very high97.6Very high15 Ų1541.2 Ų41.216%0.15521%0.205CC..THydrogen-bonded Turntrans72.7-1.8-178.500000115.9K40 W42 A65 D66K40-G44 CarbonylContact O-C 3.35Å; K40-G44 VanDerWaalsContact O-CA 3.31Å; K40-G44 WeakPolarHBondContact O-CA 3.45Å; K40-G44 PolarHBondContact O-N 3Å; W42-G44 PolarHBondContact O-N 3.41Å; G44-A65 WeakPolarHBondContact O-CB 3.4Å; G44-D66 VanDerWaalsContact CA-OD1 3.24Å; G44-D66 WeakPolarHBondContact CA-OD1 3.26Å; G44-D66 PolarHBondContact N-OD1 2.62Å; G44-D66 PolarHBondContact N-OD2 3.49Å
45G97.2Very high97.6Very high2 Ų245.9 Ų45.92%0.02122%0.223CC..  trans106.4156.5-17400000113.3Q38 Y39 W42 K43 A65Q38-G45 WeakPolarHBondContact O-CA 3.36Å; Y39-G45 VanDerWaalsContact O-CA 3.27Å; Y39-G45 WeakPolarHBondContact O-CA 3.11Å; W42-G45 PolarHBondContact O-N 3Å; K43-G45 PolarHBondContact O-N 3.11Å; G45-A65 PolarHBondContact O-N 3.35Å
46G98.2Very high97.6Very high19 Ų1950 Ų5020%0.19626%0.257CS..EExtended strand (participates in β ladder)trans-91.6125.1177.900000111.6V37 Q38V37-G46 WeakPolarHBondContact CA-O 3.4Å; Q38-G46 PolarHBondContact N-O 3.46Å; Q38-G46 PolarHBondContact O-N 2.69Å; Q38-G46 VanDerWaalsContact O-N 3.08Å
47I98.7Very high97.5Very high2 Ų255.1 Ų55.11%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-72.6127.5-179.9-68175000110.7A35 V37 V50 V59 S62 M63 A68 L75A35-I47 HydrophobicContact CB-CD1 4.26Å; A35-I47 HydrophobicContact CB-CG1 4.37Å; A35-I47 HydrophobicContact CB-CG2 4.13Å; V37-I47 HydrophobicContact CG1-CG1 3.68Å; I47-V50 HydrophobicContact CG2-CG2 3.39Å; I47-V59 HydrophobicContact CD1-CG1 3.86Å; I47-S62 PolarHBondContact O-N 3.3Å; I47-M63 VanDerWaalsContact CB-O 3.31Å; I47-M63 WeakPolarHBondContact CB-O 3.34Å; I47-M63 HydrophobicContact CD1-CB 4.43Å; I47-M63 PolarHBondContact N-O 3.35Å; I47-A68 HydrophobicContact CD1-CB 3.43Å; I47-A68 VanDerWaalsContact CD1-CB 3.43Å; I47-L75 HydrophobicContact CD1-CD2 4.46Å
48I98.4Very high97.5Very high45 Ų4556.8 Ų56.823%0.23130%0.298CS..EExtended strand (participates in β ladder)trans-112.2-23.6-179.958.8162.3000114.1F18 V36 Q38 R61 V80F18-I48 HydrophobicContact CD2-CD1 3.48Å; F18-I48 VanDerWaalsContact CD2-CD1 3.48Å; F18-I48 HydrophobicContact CD2-CG1 4.41Å; F18-I48 HydrophobicContact CE2-CD1 3.66Å; V36-I48 HydrophobicContact CB-CG1 4.15Å; V36-I48 HydrophobicContact CG1-CD1 3.92Å; V36-I48 HydrophobicContact CG1-CG1 3.91Å; V36-I48 VanDerWaalsContact O-CG1 3.29Å; V36-I48 WeakPolarHBondContact O-CG1 3.39Å; V36-I48 PolarHBondContact O-N 3.41Å; Q38-I48 HydrophobicContact CG-CD1 3.99Å; Q38-I48 HydrophobicContact CG-CG2 4.06Å; I48-R61 VanDerWaalsContact O-CD 3.25Å; I48-R61 WeakPolarHBondContact O-CD 2.99Å; I48-R61 WeakPolarHBondContact O-CG 3.44Å; I48-V80 HydrophobicContact CD1-CG2 3.69Å
49A98.5Very high97.5Very high15 Ų1554.3 Ų54.312%0.12429%0.286CS..EExtended strand (participates in β ladder)trans-149.6149.5174.900000110.4F18 V19 A35 V36F18-A49 HydrophobicContact CB-CB 3.98Å; V19-A49 HydrophobicContact CG2-CB 4.03Å; A35-A49 CarbonylContact C-O 3.58Å; A35-A49 VanDerWaalsContact CA-O 3.31Å; A35-A49 WeakPolarHBondContact CA-O 3.41Å; V36-A49 HydrophobicContact CB-CB 4.4Å; V36-A49 PolarHBondContact N-O 3.16Å
50V98.8Very high97.6Very high5 Ų554.6 Ų54.63%0.0330%0.295CS..EExtended strand (participates in β ladder)trans-141.1132.5-172.3-169.20000109.8C16 A35 I47 A54 R55 V59C16-V50 WeakPolarHBondContact CB-O 3.34Å; A35-V50 HydrophobicContact CB-CG2 4.48Å; I47-V50 HydrophobicContact CG2-CG2 3.39Å; V50-A54 HydrophobicContact CG1-CB 3.46Å; V50-A54 VanDerWaalsContact CG1-CB 3.46Å; V50-R55 HydrophobicContact CB-CG 4.29Å; V50-R55 HydrophobicContact CG1-CG 3.99Å; V50-R55 PolarHBondContact O-NE 3.19Å; V50-R55 VanDerWaalsContact O-NE 3.09Å; V50-R55 PolarHBondContact O-NH2 3.48Å; V50-V59 HydrophobicContact CG1-CB 4.06Å; V50-V59 HydrophobicContact CG1-CG1 3.87Å; V50-V59 HydrophobicContact CG2-CG1 4.18Å
51S98.7Very high97.6Very high0 Ų057 Ų570%030%0.3CS..  trans-63.4165.417491.60000111.4K32 C34 E53 A54 R55K32-S51 PolarHBondContact O-OG 3.08Å; C34-S51 PolarHBondContact N-OG 3.01Å; C34-S51 VanDerWaalsContact O-CB 3.31Å; C34-S51 WeakPolarHBondContact O-CB 3.17Å; C34-S51 PolarHBondContact O-N 3.2Å; S51-E53 WeakPolarHBondContact CB-OE2 3.26Å; S51-E53 PolarHBondContact OG-OE2 3.09Å; S51-A54 PolarHBondContact OG-N 3.41Å; S51-A54 VanDerWaalsContact OG-N 3.14Å; S51-R55 VanDerWaalsContact O-CG 3.31Å; S51-R55 WeakPolarHBondContact O-CG 3.17Å; S51-R55 PolarHBondContact O-N 3.34Å; S51-R55 VanDerWaalsContact O-N 3.16Å
52Y98.3Very high97.7Very high57 Ų5755.9 Ų55.922%0.22429%0.293CS..Hα-helixtrans-75.5-32.4-178.8-75-95.1000111.7D15 C16 R55 A56 K231 P232D15-Y52 HydrophobicContact CB-CE2 3.94Å; D15-Y52 PolarHBondContact OD1-OH 3.27Å; C16-Y52 HydrophobicContact CB-CD2 4.37Å; C16-Y52 HydrophobicContact CB-CE2 4.06Å; Y52-R55 PolarHBondContact O-N 3.44Å; Y52-R55 PolarHBondContact OH-NH1 3.08Å; Y52-A56 PolarHBondContact O-N 3.46Å; Y52-K231 HydrophobicContact CE1-CB 4.4Å; Y52-P232 HydrophobicContact CD1-CB 4.13Å; Y52-P232 HydrophobicContact CD1-CG 3.87Å; Y52-P232 HydrophobicContact CD2-CB 3.85Å; Y52-P232 HydrophobicContact CD2-CG 4.12Å; Y52-P232 HydrophobicContact CE1-CB 3.93Å; Y52-P232 HydrophobicContact CE1-CG 4.1Å; Y52-P232 HydrophobicContact CE2-CB 3.65Å; Y52-P232 HydrophobicContact CE2-CG 4.35Å; Y52-P232 HydrophobicContact CG-CB 4.09Å; Y52-P232 HydrophobicContact CG-CG 3.87Å
53E98.5Very high97.8Very high65 Ų6549.6 Ų49.630%0.30427%0.271SS..Hα-helixtrans-60.3-44.7171.2-46.292.1137.600111.2N31 K32 P33 S51 A56 F57N31-E53 VanDerWaalsContact C-OE1 3.28Å; N31-E53 VanDerWaalsContact CA-OE1 3.23Å; N31-E53 WeakPolarHBondContact CA-OE1 3.5Å; K32-E53 PolarHBondContact N-OE1 3.05Å; P33-E53 HydrophobicContact CB-CB 4.47Å; S51-E53 WeakPolarHBondContact CB-OE2 3.26Å; S51-E53 PolarHBondContact OG-OE2 3.09Å; E53-A56 WeakPolarHBondContact O-CB 3.44Å; E53-A56 PolarHBondContact O-N 3.34Å; E53-F57 VanDerWaalsContact O-CD2 3.31Å; E53-F57 WeakPolarHBondContact O-CD2 3.41Å
54A98.4Very high97.9Very high0 Ų050.9 Ų50.90%027%0.274CS..Hα-helixtrans-70.4-30.6176.900000113P33 V50 S51 A56 F57 V59 L75P33-A54 HydrophobicContact CB-CB 3.88Å; V50-A54 HydrophobicContact CG1-CB 3.46Å; V50-A54 VanDerWaalsContact CG1-CB 3.46Å; S51-A54 PolarHBondContact OG-N 3.41Å; S51-A54 VanDerWaalsContact OG-N 3.14Å; A54-A56 VanDerWaalsContact C-N 3.27Å; A54-A56 PolarHBondContact O-N 3.34Å; A54-F57 PolarHBondContact O-N 3.13Å; A54-V59 HydrophobicContact CB-CB 4.38Å; A54-V59 WeakPolarHBondContact O-CB 3.17Å; A54-V59 PolarHBondContact O-N 2.99Å; A54-L75 HydrophobicContact CB-CD1 3.73Å
55R98.4Very high98.1Very high98 Ų9850.2 Ų50.237%0.3727%0.267SS..Hα-helixtrans-65.7-27.6173.7-71.7172.8-147.4-175.78.4113V50 S51 Y52 F57 G58V50-R55 HydrophobicContact CB-CG 4.29Å; V50-R55 HydrophobicContact CG1-CG 3.99Å; V50-R55 PolarHBondContact O-NE 3.19Å; V50-R55 VanDerWaalsContact O-NE 3.09Å; V50-R55 PolarHBondContact O-NH2 3.48Å; S51-R55 VanDerWaalsContact O-CG 3.31Å; S51-R55 WeakPolarHBondContact O-CG 3.17Å; S51-R55 PolarHBondContact O-N 3.34Å; S51-R55 VanDerWaalsContact O-N 3.16Å; Y52-R55 PolarHBondContact O-N 3.44Å; Y52-R55 PolarHBondContact OH-NH1 3.08Å; R55-F57 PolarHBondContact O-N 3.25Å; R55-G58 PolarHBondContact O-N 2.92Å
56A98Very high98.1Very high87 Ų8754 Ų5472%0.71929%0.287SS*.Hα-helixtrans-61.9-28.4175.100000112.4Y52 E53 A54 G58Y52-A56 PolarHBondContact O-N 3.46Å; E53-A56 WeakPolarHBondContact O-CB 3.44Å; E53-A56 PolarHBondContact O-N 3.34Å; A54-A56 VanDerWaalsContact C-N 3.27Å; A54-A56 PolarHBondContact O-N 3.34Å; A56-G58 VanDerWaalsContact C-N 3.27Å; A56-G58 PolarHBondContact O-N 3.15Å
57F98.2Very high98.2Very high107 Ų10755.1 Ų55.147%0.46929%0.288SS..THydrogen-bonded Turntrans-85.812.8171.5-60.9-91.7000113.3P33 E53 A54 R55 V59 L71 C72P33-F57 HydrophobicContact CB-CE2 4.46Å; E53-F57 VanDerWaalsContact O-CD2 3.31Å; E53-F57 WeakPolarHBondContact O-CD2 3.41Å; A54-F57 PolarHBondContact O-N 3.13Å; R55-F57 PolarHBondContact O-N 3.25Å; F57-V59 VanDerWaalsContact C-N 3.26Å; F57-V59 HydrophobicContact CB-CG2 4.41Å; F57-V59 PolarHBondContact O-N 2.92Å; F57-L71 WeakPolarHBondContact O-CB 3.23Å; F57-C72 HydrophobicContact CB-CB 3.78Å; F57-C72 HydrophobicContact CD1-CB 4.25Å; F57-C72 HydrophobicContact CD2-CB 4.28Å; F57-C72 HydrophobicContact CG-CB 3.86Å
58G98Very high98.1Very high40 Ų4055 Ų5541%0.41229%0.288SS..THydrogen-bonded Turntrans72.89.1-177.700000115.4R55 A56 T60R55-G58 PolarHBondContact O-N 2.92Å; A56-G58 VanDerWaalsContact C-N 3.27Å; A56-G58 PolarHBondContact O-N 3.15Å; G58-T60 PolarHBondContact O-N 3.14Å
59V98.4Very high98.1Very high0 Ų056.5 Ų56.50%029%0.293CS..  trans-68.5128.8176.1-178.20000109.8I47 V50 A54 F57 M63 A68 L71 C72 L75I47-V59 HydrophobicContact CD1-CG1 3.86Å; V50-V59 HydrophobicContact CG1-CB 4.06Å; V50-V59 HydrophobicContact CG1-CG1 3.87Å; V50-V59 HydrophobicContact CG2-CG1 4.18Å; A54-V59 HydrophobicContact CB-CB 4.38Å; A54-V59 WeakPolarHBondContact O-CB 3.17Å; A54-V59 PolarHBondContact O-N 2.99Å; F57-V59 VanDerWaalsContact C-N 3.26Å; F57-V59 HydrophobicContact CB-CG2 4.41Å; F57-V59 PolarHBondContact O-N 2.92Å; V59-M63 HydrophobicContact CG1-SD 4.41Å; V59-A68 HydrophobicContact CG1-CB 3.78Å; V59-A68 HydrophobicContact CG2-CB 4.2Å; V59-L71 HydrophobicContact CG2-CB 4.48Å; V59-C72 HydrophobicContact CG2-CB 4.01Å; V59-L75 HydrophobicContact CG1-CD2 4.2Å; V59-L75 HydrophobicContact CG2-CD2 4.37Å
60T97.9Very high98.1Very high75 Ų7563 Ų6346%0.4632%0.318SS..  trans-128.8161-174.553.20000113.5G58 M63G58-T60 PolarHBondContact O-N 3.14Å; T60-M63 VanDerWaalsContact O-CB 3.22Å; T60-M63 WeakPolarHBondContact O-CB 3.37Å; T60-M63 PolarHBondContact O-N 3.03Å
61R96.9Very high98.1Very high188 Ų18866.9 Ų66.971%0.70934%0.338SS*.THydrogen-bonded Turntrans-62144.3169.8-174.1179.673.1-172.80.4110I48 M63I48-R61 VanDerWaalsContact O-CD 3.25Å; I48-R61 WeakPolarHBondContact O-CD 2.99Å; I48-R61 WeakPolarHBondContact O-CG 3.44Å; R61-M63 PolarHBondContact O-N 3.17Å
62S95.4Very high98.1Very high103 Ų10367 Ų6772%0.7234%0.339SS*.THydrogen-bonded Turntrans71.8-2.4-174.472.60000116.7I47I47-S62 PolarHBondContact O-N 3.3Å
63M98.1Very high98.1Very high42 Ų4268.4 Ų68.421%0.20736%0.355CS..  trans-65.9151.6163.3-167.2175.4-81.900110.6I47 V59 T60 R61 D67 A68 L71I47-M63 VanDerWaalsContact CB-O 3.31Å; I47-M63 WeakPolarHBondContact CB-O 3.34Å; I47-M63 HydrophobicContact CD1-CB 4.43Å; I47-M63 PolarHBondContact N-O 3.35Å; V59-M63 HydrophobicContact CG1-SD 4.41Å; T60-M63 VanDerWaalsContact O-CB 3.22Å; T60-M63 WeakPolarHBondContact O-CB 3.37Å; T60-M63 PolarHBondContact O-N 3.03Å; R61-M63 PolarHBondContact O-N 3.17Å; M63-D67 HydrophobicContact CG-CB 4.43Å; M63-A68 HydrophobicContact CG-CB 4.11Å; M63-A68 VanDerWaalsContact SD-CA 3.54Å; M63-A68 HydrophobicContact SD-CB 3.61Å; M63-L71 HydrophobicContact CE-CD1 3.64Å; M63-L71 HydrophobicContact SD-CD1 3.91Å
64W98.6Very high98.1Very high103 Ų10371.4 Ų71.439%0.3937%0.373SS..BIsolated β-bridgetrans-82146.5171-57.1106.5000110.6W42 K43 D66 D67 A68W42-W64 AromaticContact CD1-CH2 3.68Å; W42-W64 AromaticContact CD1-CZ3 3.58Å; W42-W64 AromaticContact NE1-CH2 3.84Å; W42-W64 AromaticContact NE1-CZ2 3.95Å; K43-W64 HydrophobicContact CB-CB 3.7Å; K43-W64 HydrophobicContact CB-CD2 3.91Å; K43-W64 HydrophobicContact CB-CE3 4.06Å; K43-W64 HydrophobicContact CB-CG 3.76Å; K43-W64 HydrophobicContact CD-CB 4.47Å; K43-W64 HydrophobicContact CD-CD2 4.04Å; K43-W64 HydrophobicContact CD-CG 3.84Å; K43-W64 HydrophobicContact CG-CG 4.43Å; W64-D66 VanDerWaalsContact C-N 3.31Å; W64-D66 PolarHBondContact O-N 2.96Å; W64-D67 HydrophobicContact CB-CB 4.37Å; W64-D67 WeakPolarHBondContact CB-OD2 3.42Å; W64-D67 VanDerWaalsContact CD1-OD2 3.31Å; W64-D67 PolarHBondContact O-N 3.02Å; W64-D67 VanDerWaalsContact O-N 3.1Å; W64-A68 WeakPolarHBondContact O-CB 3.38Å; W64-A68 PolarHBondContact O-N 2.86Å
65A98.4Very high98.1Very high1 Ų171.5 Ų71.51%0.00837%0.374CS..Hα-helixtrans-61.4-38.2-177.400000112.8V37 K43 G44 G45 D67 A68 K69 L77V37-A65 HydrophobicContact CG1-CB 4.02Å; K43-A65 PolarHBondContact O-N 2.87Å; G44-A65 WeakPolarHBondContact O-CB 3.4Å; G45-A65 PolarHBondContact O-N 3.35Å; A65-D67 VanDerWaalsContact C-N 3.29Å; A65-D67 PolarHBondContact O-N 2.9Å; A65-A68 PolarHBondContact O-N 2.87Å; A65-K69 WeakPolarHBondContact O-CB 3.4Å; A65-K69 WeakPolarHBondContact O-CG 3.37Å; A65-K69 PolarHBondContact O-N 3.3Å; A65-L77 HydrophobicContact CB-CD1 3.91Å; A65-L77 HydrophobicContact CB-CD2 4.46Å
66D98.4Very high98.1Very high83 Ų8369.5 Ų69.544%0.44437%0.37SS..Hα-helixtrans-66.5-30.4176.6-65.1-7.7000112.7K43 G44 W64K43-D66 WeakPolarHBondContact CA-OD2 3.5Å; K43-D66 PolarHBondContact O-N 3.03Å; G44-D66 VanDerWaalsContact CA-OD1 3.24Å; G44-D66 WeakPolarHBondContact CA-OD1 3.26Å; G44-D66 PolarHBondContact N-OD1 2.62Å; G44-D66 PolarHBondContact N-OD2 3.49Å; W64-D66 VanDerWaalsContact C-N 3.31Å; W64-D66 PolarHBondContact O-N 2.96Å
67D98.4Very high98.1Very high42 Ų4268.7 Ų68.723%0.22535%0.353CS..Hα-helixtrans-83-36178.3-62.1-46.7000110.6K43 M63 W64 A65 K69 K70K43-D67 VanDerWaalsContact NZ-CG 3.35Å; K43-D67 IonicContact NZ-OD1 3.96Å; K43-D67 PolarHBondContact NZ-OD1 2.84Å; K43-D67 IonicContact NZ-OD2 2.77Å; K43-D67 PolarHBondContact NZ-OD2 2.77Å; M63-D67 HydrophobicContact CG-CB 4.43Å; W64-D67 HydrophobicContact CB-CB 4.37Å; W64-D67 WeakPolarHBondContact CB-OD2 3.42Å; W64-D67 VanDerWaalsContact CD1-OD2 3.31Å; W64-D67 PolarHBondContact O-N 3.02Å; W64-D67 VanDerWaalsContact O-N 3.1Å; A65-D67 VanDerWaalsContact C-N 3.29Å; A65-D67 PolarHBondContact O-N 2.9Å; D67-K69 VanDerWaalsContact C-N 3.34Å; D67-K69 PolarHBondContact O-N 3.28Å; D67-K70 WeakPolarHBondContact O-CB 3.24Å; D67-K70 PolarHBondContact O-N 2.85Å; D67-K70 IonicContact OD1-NZ 2.63Å; D67-K70 PolarHBondContact OD1-NZ 3.39Å
68A98.4Very high98.1Very high0 Ų064.1 Ų64.10%034%0.335CS..Hα-helixtrans-63.9-35.517100000113.1I47 V59 M63 W64 A65 K70 L71 C72 L75I47-A68 HydrophobicContact CD1-CB 3.43Å; I47-A68 VanDerWaalsContact CD1-CB 3.43Å; V59-A68 HydrophobicContact CG1-CB 3.78Å; V59-A68 HydrophobicContact CG2-CB 4.2Å; M63-A68 HydrophobicContact CG-CB 4.11Å; M63-A68 VanDerWaalsContact SD-CA 3.54Å; M63-A68 HydrophobicContact SD-CB 3.61Å; W64-A68 WeakPolarHBondContact O-CB 3.38Å; W64-A68 PolarHBondContact O-N 2.86Å; A65-A68 PolarHBondContact O-N 2.87Å; A68-K70 PolarHBondContact O-N 3.26Å; A68-L71 PolarHBondContact O-N 2.77Å; A68-L71 VanDerWaalsContact O-N 3.11Å; A68-C72 PolarHBondContact O-N 2.77Å; A68-L75 HydrophobicContact CB-CD2 3.64Å
69K98.3Very high98.1Very high76 Ų7666.2 Ų66.233%0.3333%0.334SS..Hα-helixtrans-63.5-19.7174.8-89.3-67.4-164.6-172.50114A65 D67 C72 P73 L75A65-K69 WeakPolarHBondContact O-CB 3.4Å; A65-K69 WeakPolarHBondContact O-CG 3.37Å; A65-K69 PolarHBondContact O-N 3.3Å; D67-K69 VanDerWaalsContact C-N 3.34Å; D67-K69 PolarHBondContact O-N 3.28Å; K69-C72 CarbonylContact O-C 3.59Å; K69-P73 VanDerWaalsContact CD-O 3.32Å; K69-P73 WeakPolarHBondContact CD-O 3.38Å; K69-P73 PolarHBondContact NZ-O 3.12Å; K69-P73 WeakPolarHBondContact O-CA 3.23Å; K69-L75 HydrophobicContact CD-CB 4.22Å; K69-L75 WeakPolarHBondContact CE-O 3.47Å; K69-L75 PolarHBondContact NZ-O 2.99Å
70K98.4Very high98.1Very high152 Ų15266.2 Ų66.266%0.66133%0.334SS*.Hα-helixtrans-75.3-34.8172.8-60165.6-172.6169.40111.8D67 A68D67-K70 WeakPolarHBondContact O-CB 3.24Å; D67-K70 PolarHBondContact O-N 2.85Å; D67-K70 IonicContact OD1-NZ 2.63Å; D67-K70 PolarHBondContact OD1-NZ 3.39Å; A68-K70 PolarHBondContact O-N 3.26Å
71L98.3Very high98.1Very high85 Ų8570.7 Ų70.745%0.44534%0.343SS..Hα-helixtrans-81.2-34.3178.1-56.3179.3000112.1F57 V59 M63 A68F57-L71 WeakPolarHBondContact O-CB 3.23Å; V59-L71 HydrophobicContact CG2-CB 4.48Å; M63-L71 HydrophobicContact CE-CD1 3.64Å; M63-L71 HydrophobicContact SD-CD1 3.91Å; A68-L71 PolarHBondContact O-N 2.77Å; A68-L71 VanDerWaalsContact O-N 3.11Å
72C98.3Very high98.2Very high2 Ų265.5 Ų65.51%0.01433%0.327CS..  trans-136.689.6179.4-172.40000109.9F57 V59 A68 K69 D74 L75F57-C72 HydrophobicContact CB-CB 3.78Å; F57-C72 HydrophobicContact CD1-CB 4.25Å; F57-C72 HydrophobicContact CD2-CB 4.28Å; F57-C72 HydrophobicContact CG-CB 3.86Å; V59-C72 HydrophobicContact CG2-CB 4.01Å; A68-C72 PolarHBondContact O-N 2.77Å; K69-C72 CarbonylContact O-C 3.59Å; C72-D74 PolarHBondContact O-N 3.04Å; C72-L75 HydrophobicContact CB-CB 4.02Å; C72-L75 WeakPolarHBondContact O-CB 3.34Å; C72-L75 PolarHBondContact O-N 3.35Å
73P98.2Very high98.3Very high88 Ų8861.7 Ų61.757%0.57130%0.3SS*.THydrogen-bonded Turntrans-55.7-33.9-178.9-29.437.3000113.9K69 L75K69-P73 VanDerWaalsContact CD-O 3.32Å; K69-P73 WeakPolarHBondContact CD-O 3.38Å; K69-P73 PolarHBondContact NZ-O 3.12Å; K69-P73 WeakPolarHBondContact O-CA 3.23Å; P73-L75 PolarHBondContact O-N 2.91Å
74D98Very high98.2Very high128 Ų12863.3 Ų63.368%0.68430%0.304SS*.THydrogen-bonded Turntrans-85.70.1-179.7-62.4-55.7000114.6C72 L76C72-D74 PolarHBondContact O-N 3.04Å; D74-L76 PolarHBondContact O-N 3.45Å; D74-L76 VanDerWaalsContact O-N 3.13Å
75L98.6Very high98.1Very high1 Ų160.2 Ų60.21%0.00530%0.303CS..  trans-50.5118.4-176.417865.1000112.5P33 A35 I47 A54 V59 A68 K69 C72 P73 L77P33-L75 HydrophobicContact CB-CD1 4.43Å; A35-L75 HydrophobicContact CB-CD1 4.06Å; A35-L75 HydrophobicContact CB-CD2 4.48Å; I47-L75 HydrophobicContact CD1-CD2 4.46Å; A54-L75 HydrophobicContact CB-CD1 3.73Å; V59-L75 HydrophobicContact CG1-CD2 4.2Å; V59-L75 HydrophobicContact CG2-CD2 4.37Å; A68-L75 HydrophobicContact CB-CD2 3.64Å; K69-L75 HydrophobicContact CD-CB 4.22Å; K69-L75 WeakPolarHBondContact CE-O 3.47Å; K69-L75 PolarHBondContact NZ-O 2.99Å; C72-L75 HydrophobicContact CB-CB 4.02Å; C72-L75 WeakPolarHBondContact O-CB 3.34Å; C72-L75 PolarHBondContact O-N 3.35Å; P73-L75 PolarHBondContact O-N 2.91Å; L75-L77 HydrophobicContact CD2-CD2 3.91Å; L75-L77 HydrophobicContact CG-CD2 3.95Å
76L98.6Very high98.1Very high57 Ų5760.6 Ų60.630%0.29831%0.305SS..EExtended strand (participates in β ladder)trans-82.3140.4176-56.8-177.1000110.2L29 K32 P33 C34 A35 D74L29-L76 HydrophobicContact CD2-CB 3.83Å; L29-L76 HydrophobicContact CD2-CD1 3.86Å; L29-L76 HydrophobicContact CD2-CG 4.47Å; K32-L76 HydrophobicContact CB-CD1 4.17Å; K32-L76 HydrophobicContact CD-CD1 3.64Å; P33-L76 PolarHBondContact O-N 3.44Å; C34-L76 CarbonylContact C-O 3.58Å; C34-L76 WeakPolarHBondContact CA-O 3.42Å; C34-L76 HydrophobicContact CB-CB 4.45Å; A35-L76 PolarHBondContact N-O 3.45Å; D74-L76 PolarHBondContact O-N 3.45Å; D74-L76 VanDerWaalsContact O-N 3.13Å
77L98.6Very high98.1Very high69 Ų6957 Ų5736%0.36129%0.287SS..EExtended strand (participates in β ladder)trans-124.8123.2-173.4-61.7176.7000110.8A35 V37 A65 L75A35-L77 HydrophobicContact CB-CD2 4.1Å; A35-L77 WeakPolarHBondContact O-CA 3.38Å; V37-L77 HydrophobicContact CG1-CD2 4.04Å; A65-L77 HydrophobicContact CB-CD1 3.91Å; A65-L77 HydrophobicContact CB-CD2 4.46Å; L75-L77 HydrophobicContact CD2-CD2 3.91Å; L75-L77 HydrophobicContact CG-CD2 3.95Å
78A98.5Very high98.1Very high11 Ų1155.4 Ų55.49%0.09128%0.278CS..EExtended strand (participates in β ladder)trans-105123.1168.500000109.8E22 L29 A35 V36 V37E22-A78 HydrophobicContact CB-CB 3.83Å; E22-A78 HydrophobicContact CG-CB 3.62Å; L29-A78 HydrophobicContact CD1-CB 4.3Å; A35-A78 PolarHBondContact O-N 2.76Å; V36-A78 VanDerWaalsContact CA-O 3.3Å; V36-A78 WeakPolarHBondContact CA-O 3.46Å; V36-A78 HydrophobicContact CG2-CB 4.41Å; V37-A78 PolarHBondContact N-O 3.28Å
79Q98.4Very high98.1Very high84 Ų8457.3 Ų57.339%0.39329%0.288SS..EExtended strand (participates in β ladder)trans-89.1129.5-180-173.2174.8-18.500110.4V37 R81 E82V37-Q79 HydrophobicContact CG2-CB 4.18Å; V37-Q79 HydrophobicContact CG2-CG 4.46Å; Q79-R81 PolarHBondContact O-N 3.48Å; Q79-E82 PolarHBondContact NE2-OE1 2.81Å
80V98.3Very high98.1Very high1 Ų154.9 Ų54.91%0.00628%0.28CS..PPolyproline II helixtrans-54.9130.8171.5170.30000109.8V36 V37 Q38 I48 E82 A87 N88 L89 Y92V36-V80 HydrophobicContact CG1-CG2 3.65Å; V37-V80 WeakPolarHBondContact O-CG2 3.4Å; V37-V80 PolarHBondContact O-N 2.89Å; Q38-V80 HydrophobicContact CG-CB 4.06Å; Q38-V80 HydrophobicContact CG-CG1 4.46Å; Q38-V80 HydrophobicContact CG-CG2 3.76Å; I48-V80 HydrophobicContact CD1-CG2 3.69Å; V80-E82 PolarHBondContact O-N 3.15Å; V80-A87 HydrophobicContact CG1-CB 3.93Å; V80-N88 WeakPolarHBondContact CG1-O 3.32Å; V80-L89 HydrophobicContact CG1-CD2 3.72Å; V80-L89 HydrophobicContact CG2-CD2 4.34Å; V80-Y92 HydrophobicContact CG1-CE2 4.26Å; V80-Y92 HydrophobicContact CG2-CE2 3.99Å
81R98.1Very high98.1Very high169 Ų16950.4 Ų50.464%0.63826%0.261SS*.PPolyproline II helixtrans-48.7126.9176.8-179.6-179.5-177.9-178.61.8110.4Q79 N88Q79-R81 PolarHBondContact O-N 3.48Å; R81-N88 WeakPolarHBondContact O-CA 3.28Å; R81-N88 WeakPolarHBondContact O-CB 3.31Å; R81-N88 PolarHBondContact O-N 3.03Å
82E97.8Very high98.1Very high79 Ų7946.4 Ų46.437%0.36924%0.24SC..EExtended strand (participates in β ladder)trans-95.2145170.5-65.1-168.6-131.200110.9Y39 Q79 V80 K86Y39-E82 WeakPolarHBondContact CA-OE1 3.49Å; Y39-E82 VanDerWaalsContact CD1-OE2 3.25Å; Y39-E82 WeakPolarHBondContact CD1-OE2 3.09Å; Y39-E82 WeakPolarHBondContact CE1-OE2 3.42Å; Q79-E82 PolarHBondContact NE2-OE1 2.81Å; V80-E82 PolarHBondContact O-N 3.15Å; E82-K86 CarbonylContact C-O 3.6Å; E82-K86 WeakPolarHBondContact CA-O 3.38Å
83S97.6Very high98.1Very high23 Ų2349 Ų4916%0.16125%0.249CC..EExtended strand (participates in β ladder)trans-153.6139.6178.7-540000107.7G85 K86 N88S83-G85 PolarHBondContact O-N 2.85Å; S83-G85 VanDerWaalsContact O-N 3.12Å; S83-K86 PolarHBondContact N-O 3.48Å; S83-K86 VanDerWaalsContact O-CG 3.25Å; S83-K86 WeakPolarHBondContact O-CG 3.46Å; S83-K86 PolarHBondContact O-N 2.98Å; S83-N88 PolarHBondContact OG-ND2 3.48Å
84R96.9Very high98.1Very high76 Ų7649.3 Ų49.329%0.28724%0.243SC..THydrogen-bonded Turntrans51.837.6179.4-54.6-176.7-173.994.9-3.5113.2K86 W340 Q343 Q346 E350R84-K86 VanDerWaalsContact C-N 3.31Å; R84-K86 PolarHBondContact O-N 3.08Å; R84-W340 WeakPolarHBondContact O-CZ3 3.39Å; R84-Q343 HydrophobicContact CB-CB 4.09Å; R84-Q343 HydrophobicContact CB-CG 4.44Å; R84-Q343 WeakPolarHBondContact CD-O 3.3Å; R84-Q346 VanDerWaalsContact NE-CB 3.33Å; R84-E350 IonicContact CZ-OE2 2.65Å; R84-E350 IonicContact NH1-OE2 3.53Å; R84-E350 PolarHBondContact NH1-OE2 2.92Å; R84-E350 IonicContact NH2-OE2 2.64Å; R84-E350 PolarHBondContact NH2-OE2 3.41Å
85G96.4Very high98.2Very high37 Ų3743.3 Ų43.338%0.38121%0.211SC..THydrogen-bonded Turntrans69.615-178.300000116.1S83 K323 W340S83-G85 PolarHBondContact O-N 2.85Å; S83-G85 VanDerWaalsContact O-N 3.12Å; G85-K323 PolarHBondContact O-NZ 2.71Å; G85-W340 VanDerWaalsContact O-CH2 3.27Å; G85-W340 WeakPolarHBondContact O-CH2 3.33Å
86K97.9Very high98.2Very high10 Ų1043.4 Ų43.44%0.04321%0.211CC..EExtended strand (participates in β ladder)trans-139.1157.6-179.261.7177.6-60.5-58.40113.2E82 S83 R84 N88 S322 K323 L344 E347E82-K86 CarbonylContact C-O 3.6Å; E82-K86 WeakPolarHBondContact CA-O 3.38Å; S83-K86 PolarHBondContact N-O 3.48Å; S83-K86 VanDerWaalsContact O-CG 3.25Å; S83-K86 WeakPolarHBondContact O-CG 3.46Å; S83-K86 PolarHBondContact O-N 2.98Å; R84-K86 VanDerWaalsContact C-N 3.31Å; R84-K86 PolarHBondContact O-N 3.08Å; K86-N88 PolarHBondContact O-N 3.01Å; K86-S322 WeakPolarHBondContact CE-O 3.47Å; K86-K323 HydrophobicContact CB-CD 4.21Å; K86-L344 HydrophobicContact CD-CD2 3.69Å; K86-E347 WeakPolarHBondContact CD-OE2 3.41Å; K86-E347 WeakPolarHBondContact CE-OE2 3.27Å; K86-E347 IonicContact NZ-OE2 3.97Å; K86-E347 PolarHBondContact NZ-OE2 3.41Å
87A98.1Very high98.2Very high8 Ų844 Ų447%0.06622%0.217CC..EExtended strand (participates in β ladder)trans-57.1129.2168.300000111.1Q38 Y39 V80Q38-A87 HydrophobicContact CG-CB 4.15Å; Y39-A87 HydrophobicContact CE2-CB 4.39Å; Y39-A87 PolarHBondContact OH-N 2.85Å; V80-A87 HydrophobicContact CG1-CB 3.93Å
88N98.3Very high98.2Very high7 Ų743.5 Ų43.54%0.03721%0.213CC..  trans-115.4119.5179.6-176.9-6.6000109.1V80 R81 S83 K86 T90V80-N88 WeakPolarHBondContact CG1-O 3.32Å; R81-N88 WeakPolarHBondContact O-CA 3.28Å; R81-N88 WeakPolarHBondContact O-CB 3.31Å; R81-N88 PolarHBondContact O-N 3.03Å; S83-N88 PolarHBondContact OG-ND2 3.48Å; K86-N88 PolarHBondContact O-N 3.01Å; N88-T90 WeakPolarHBondContact OD1-CB 3.36Å; N88-T90 PolarHBondContact OD1-N 3.16Å; N88-T90 VanDerWaalsContact OD1-N 3.16Å; N88-T90 PolarHBondContact OD1-OG1 3.01Å; N88-T90 VanDerWaalsContact OD1-OG1 3.11Å
89L98.3Very high98.2Very high40 Ų4043.1 Ų43.121%0.20921%0.21CC..  trans-99.710.5-172.8-58.9179000113.9F18 V80 K91 Y92 R93F18-L89 HydrophobicContact CE2-CD2 4.01Å; V80-L89 HydrophobicContact CG1-CD2 3.72Å; V80-L89 HydrophobicContact CG2-CD2 4.34Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 2.68Å; L89-Y92 HydrophobicContact CB-CD2 4.16Å; L89-Y92 HydrophobicContact CD2-CD2 3.82Å; L89-Y92 HydrophobicContact CD2-CE2 3.88Å; L89-Y92 PolarHBondContact O-N 2.64Å; L89-Y92 VanDerWaalsContact O-N 3.12Å; L89-R93 WeakPolarHBondContact O-CG 3.35Å; L89-R93 PolarHBondContact O-N 2.93Å
90T98.4Very high98.2Very high25 Ų2539.4 Ų39.415%0.15319%0.192CC..Hα-helixtrans-55.7-42.7-173.6-70.80000113.3N88 Y92 R93 E94N88-T90 WeakPolarHBondContact OD1-CB 3.36Å; N88-T90 PolarHBondContact OD1-N 3.16Å; N88-T90 VanDerWaalsContact OD1-N 3.16Å; N88-T90 PolarHBondContact OD1-OG1 3.01Å; N88-T90 VanDerWaalsContact OD1-OG1 3.11Å; T90-Y92 VanDerWaalsContact C-N 3.3Å; T90-Y92 PolarHBondContact O-N 3.44Å; T90-R93 CarbonylContact O-C 3.54Å; T90-R93 WeakPolarHBondContact O-CA 3.28Å; T90-R93 WeakPolarHBondContact O-CB 3.35Å; T90-R93 PolarHBondContact O-N 2.94Å; T90-R93 PolarHBondContact OG1-NH1 2.77Å; T90-E94 HydrophobicContact CG2-CG 4.19Å; T90-E94 WeakPolarHBondContact CG2-OE1 3.29Å; T90-E94 WeakPolarHBondContact CG2-OE2 3.5Å; T90-E94 WeakPolarHBondContact O-CG 3.45Å; T90-E94 PolarHBondContact O-N 2.83Å
91K98.4Very high98.1Very high59 Ų5944.4 Ų44.426%0.25722%0.216SC..Hα-helixtrans-48.6-47.3173.9-168-161.8-60.8-169.30113.3V21 E22 Q25 L89 R93 E94 A95V21-K91 HydrophobicContact CG1-CD 3.59Å; V21-K91 HydrophobicContact CG1-CG 3.85Å; E22-K91 WeakPolarHBondContact OE1-CE 3.41Å; E22-K91 IonicContact OE1-NZ 3.26Å; E22-K91 PolarHBondContact OE1-NZ 2.8Å; E22-K91 IonicContact OE2-NZ 3.69Å; E22-K91 PolarHBondContact OE2-NZ 3.15Å; Q25-K91 VanDerWaalsContact OE1-CE 3.27Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 2.68Å; K91-R93 VanDerWaalsContact C-N 3.34Å; K91-E94 WeakPolarHBondContact CA-OE2 3.38Å; K91-E94 PolarHBondContact N-OE2 3.2Å; K91-A95 WeakPolarHBondContact O-CB 3.45Å; K91-A95 PolarHBondContact O-N 3.42Å; K91-A95 VanDerWaalsContact O-N 3.07Å
92Y98.7Very high98.2Very high1 Ų136.9 Ų36.90%0.00419%0.188CC..Hα-helixtrans-78.8-17.5-179.1-39.9-71.1000112.9F17 F18 V21 E22 V80 L89 T90 S96F17-Y92 WeakPolarHBondContact CE1-O 3.45Å; F18-Y92 HydrophobicContact CB-CD1 3.85Å; F18-Y92 HydrophobicContact CB-CE1 3.86Å; F18-Y92 HydrophobicContact CB-CG 4.5Å; F18-Y92 AromaticContact CD1-CD1 3.79Å; F18-Y92 HydrophobicContact CD1-CD1 3.79Å; F18-Y92 HydrophobicContact CD1-CD2 4.47Å; F18-Y92 AromaticContact CD1-CG 3.74Å; F18-Y92 HydrophobicContact CD1-CG 3.74Å; F18-Y92 AromaticContact CD2-CD1 3.88Å; F18-Y92 HydrophobicContact CD2-CD1 3.88Å; F18-Y92 AromaticContact CD2-CD2 3.7Å; F18-Y92 HydrophobicContact CD2-CD2 3.7Å; F18-Y92 HydrophobicContact CD2-CE1 4.05Å; F18-Y92 AromaticContact CD2-CE2 3.85Å; F18-Y92 HydrophobicContact CD2-CE2 3.85Å; F18-Y92 AromaticContact CD2-CG 3.73Å; F18-Y92 HydrophobicContact CD2-CG 3.73Å; F18-Y92 VanDerWaalsContact CE1-CB 3.48Å; F18-Y92 HydrophobicContact CE1-CD1 4.34Å; F18-Y92 HydrophobicContact CE1-CD2 4.36Å; F18-Y92 AromaticContact CE1-CG 3.81Å; F18-Y92 HydrophobicContact CE1-CG 3.81Å; F18-Y92 HydrophobicContact CE2-CD1 4.43Å; F18-Y92 AromaticContact CE2-CD2 3.57Å; F18-Y92 HydrophobicContact CE2-CD2 3.57Å; F18-Y92 HydrophobicContact CE2-CE2 4.03Å; F18-Y92 AromaticContact CE2-CG 3.81Å; F18-Y92 HydrophobicContact CE2-CG 3.81Å; F18-Y92 AromaticContact CG-CD1 3.55Å; F18-Y92 HydrophobicContact CG-CD1 3.55Å; F18-Y92 HydrophobicContact CG-CD2 4.19Å; F18-Y92 AromaticContact CG-CE1 3.93Å; F18-Y92 HydrophobicContact CG-CE1 3.93Å; F18-Y92 HydrophobicContact CG-CE2 4.49Å; F18-Y92 AromaticContact CG-CG 3.72Å; F18-Y92 HydrophobicContact CG-CG 3.72Å; F18-Y92 AromaticContact CZ-CD2 3.93Å; F18-Y92 HydrophobicContact CZ-CD2 3.93Å; F18-Y92 AromaticContact CZ-CG 3.86Å; F18-Y92 HydrophobicContact CZ-CG 3.86Å; V21-Y92 HydrophobicContact CB-CD1 3.87Å; V21-Y92 HydrophobicContact CB-CE1 4.16Å; V21-Y92 HydrophobicContact CG1-CD1 3.75Å; V21-Y92 HydrophobicContact CG1-CE1 4.01Å; V21-Y92 HydrophobicContact CG2-CD1 4.16Å; E22-Y92 HydrophobicContact CG-CE1 4.34Å; E22-Y92 VanDerWaalsContact OE1-CE1 3.28Å; E22-Y92 WeakPolarHBondContact OE1-CE1 3.32Å; E22-Y92 VanDerWaalsContact OE1-CZ 3.29Å; E22-Y92 PolarHBondContact OE1-OH 3.42Å; V80-Y92 HydrophobicContact CG1-CE2 4.26Å; V80-Y92 HydrophobicContact CG2-CE2 3.99Å; L89-Y92 HydrophobicContact CB-CD2 4.16Å; L89-Y92 HydrophobicContact CD2-CD2 3.82Å; L89-Y92 HydrophobicContact CD2-CE2 3.88Å; L89-Y92 PolarHBondContact O-N 2.64Å; L89-Y92 VanDerWaalsContact O-N 3.12Å; T90-Y92 VanDerWaalsContact C-N 3.3Å; T90-Y92 PolarHBondContact O-N 3.44Å; Y92-S96 VanDerWaalsContact O-CB 3.24Å; Y92-S96 WeakPolarHBondContact O-CB 3.41Å; Y92-S96 PolarHBondContact O-N 2.78Å
93R98.6Very high98.2Very high57 Ų5733.2 Ų33.222%0.21517%0.171CC..Hα-helixtrans-79.9-37171.9-61.6171.1-167.1134.3-7.1110.9L89 T90 K91 S96 V97 I114 E347 R351L89-R93 WeakPolarHBondContact O-CG 3.35Å; L89-R93 PolarHBondContact O-N 2.93Å; T90-R93 CarbonylContact O-C 3.54Å; T90-R93 WeakPolarHBondContact O-CA 3.28Å; T90-R93 WeakPolarHBondContact O-CB 3.35Å; T90-R93 PolarHBondContact O-N 2.94Å; T90-R93 PolarHBondContact OG1-NH1 2.77Å; K91-R93 VanDerWaalsContact C-N 3.34Å; R93-S96 WeakPolarHBondContact O-CB 3.3Å; R93-S96 PolarHBondContact O-N 2.85Å; R93-V97 WeakPolarHBondContact O-CG2 3.41Å; R93-V97 PolarHBondContact O-N 3.3Å; R93-V97 VanDerWaalsContact O-N 3.07Å; R93-I114 HydrophobicContact CG-CD1 4.03Å; R93-E347 IonicContact NH1-OE1 3.28Å; R93-E347 IonicContact NH2-OE1 2.71Å; R93-E347 PolarHBondContact NH2-OE1 3.26Å; R93-R351 VanDerWaalsContact CZ-CZ 3.5Å; R93-R351 VanDerWaalsContact NH2-CZ 3.33Å
94E98.3Very high98.2Very high94 Ų9434.3 Ų34.344%0.43918%0.179SC..Hα-helixtrans-66.6-51.7175.3-69.2156.7155.100109.7T90 K91 S96 V97 E98T90-E94 HydrophobicContact CG2-CG 4.19Å; T90-E94 WeakPolarHBondContact CG2-OE1 3.29Å; T90-E94 WeakPolarHBondContact CG2-OE2 3.5Å; T90-E94 WeakPolarHBondContact O-CG 3.45Å; T90-E94 PolarHBondContact O-N 2.83Å; K91-E94 WeakPolarHBondContact CA-OE2 3.38Å; K91-E94 PolarHBondContact N-OE2 3.2Å; E94-S96 PolarHBondContact O-N 2.59Å; E94-S96 VanDerWaalsContact O-N 3.09Å; E94-V97 WeakPolarHBondContact O-CB 3.23Å; E94-V97 PolarHBondContact O-N 3.26Å; E94-E98 PolarHBondContact O-N 2.96Å
95A98.7Very high98.3Very high2 Ų237.3 Ų37.32%0.01719%0.19CC..Hα-helixtrans-57.4-25.9171.200000114.1F17 V21 K91 E98 V99 F210F17-A95 HydrophobicContact CE2-CB 4.31Å; F17-A95 HydrophobicContact CZ-CB 3.86Å; V21-A95 HydrophobicContact CG1-CB 4.24Å; V21-A95 HydrophobicContact CG2-CB 3.68Å; K91-A95 WeakPolarHBondContact O-CB 3.45Å; K91-A95 PolarHBondContact O-N 3.42Å; K91-A95 VanDerWaalsContact O-N 3.07Å; A95-E98 WeakPolarHBondContact CA-OE1 3.5Å; A95-V99 WeakPolarHBondContact O-CG2 3.33Å; A95-F210 HydrophobicContact CB-CE2 3.88Å; A95-F210 HydrophobicContact CB-CZ 3.99Å
96S98.7Very high98.3Very high2 Ų238.3 Ų38.31%0.01418%0.184CC..Hα-helixtrans-75.4-35.4174.2179.90000112Y92 R93 E94 M100 R111 I114Y92-S96 VanDerWaalsContact O-CB 3.24Å; Y92-S96 WeakPolarHBondContact O-CB 3.41Å; Y92-S96 PolarHBondContact O-N 2.78Å; R93-S96 WeakPolarHBondContact O-CB 3.3Å; R93-S96 PolarHBondContact O-N 2.85Å; E94-S96 PolarHBondContact O-N 2.59Å; E94-S96 VanDerWaalsContact O-N 3.09Å; S96-M100 WeakPolarHBondContact O-CB 3.49Å; S96-M100 WeakPolarHBondContact O-CG 3.46Å; S96-M100 PolarHBondContact O-N 3.19Å; S96-M100 VanDerWaalsContact O-N 3.12Å; S96-R111 PolarHBondContact OG-NE 3.08Å; S96-R111 PolarHBondContact OG-NH2 3.37Å; S96-I114 WeakPolarHBondContact CB-O 3.17Å; S96-I114 PolarHBondContact OG-O 3.45Å
97V98.3Very high98.3Very high70 Ų7038.9 Ų38.942%0.42419%0.191SC..Hα-helixtrans-65.8-46.3176.4169.20000110.3R93 E94 V99 M100 E101R93-V97 WeakPolarHBondContact O-CG2 3.41Å; R93-V97 PolarHBondContact O-N 3.3Å; R93-V97 VanDerWaalsContact O-N 3.07Å; E94-V97 WeakPolarHBondContact O-CB 3.23Å; E94-V97 PolarHBondContact O-N 3.26Å; V97-V99 VanDerWaalsContact C-N 3.32Å; V97-V99 PolarHBondContact O-N 3.36Å; V97-M100 PolarHBondContact O-N 2.68Å; V97-E101 HydrophobicContact CG1-CG 4.11Å; V97-E101 WeakPolarHBondContact CG1-OE1 3.48Å; V97-E101 WeakPolarHBondContact O-CG 3.49Å; V97-E101 PolarHBondContact O-N 3.24Å
98E98.6Very high98.2Very high59 Ų5942.3 Ų42.328%0.27621%0.211SC..Hα-helixtrans-47.6-51.3176.1-62.9170.9-134.500112.4R24 E94 A95 I102 T208R24-E98 IonicContact CZ-OE1 3.29Å; R24-E98 IonicContact CZ-OE2 3.83Å; R24-E98 VanDerWaalsContact CZ-OE2 3.31Å; R24-E98 IonicContact NH1-OE1 2.69Å; R24-E98 IonicContact NH1-OE2 2.76Å; R24-E98 PolarHBondContact NH1-OE2 3.45Å; R24-E98 VanDerWaalsContact NH2-CD 3.31Å; R24-E98 IonicContact NH2-OE1 2.67Å; R24-E98 PolarHBondContact NH2-OE1 3.31Å; R24-E98 IonicContact NH2-OE2 3.02Å; R24-E98 PolarHBondContact NH2-OE2 2.93Å; E94-E98 PolarHBondContact O-N 2.96Å; A95-E98 WeakPolarHBondContact CA-OE1 3.5Å; E98-I102 WeakPolarHBondContact O-CD1 3.5Å; E98-I102 WeakPolarHBondContact O-CG1 3.46Å; E98-I102 PolarHBondContact O-N 2.86Å; E98-T208 HydrophobicContact CB-CG2 4.1Å
99V98.6Very high98.2Very high3 Ų342.3 Ų42.32%0.01821%0.211CC..Hα-helixtrans-68.8-40.5-179.7179.70000111.7M14 A95 V97 I102 M103 I204 T208 F210M14-V99 HydrophobicContact CE-CG1 4.39Å; M14-V99 HydrophobicContact CE-CG2 4.04Å; M14-V99 HydrophobicContact CG-CG1 4.29Å; M14-V99 HydrophobicContact SD-CB 4.5Å; M14-V99 HydrophobicContact SD-CG1 3.56Å; M14-V99 VanDerWaalsContact SD-CG1 3.56Å; M14-V99 HydrophobicContact SD-CG2 4.17Å; A95-V99 WeakPolarHBondContact O-CG2 3.33Å; V97-V99 VanDerWaalsContact C-N 3.32Å; V97-V99 PolarHBondContact O-N 3.36Å; V99-I102 PolarHBondContact O-N 2.93Å; V99-M103 HydrophobicContact CG1-CE 4.01Å; V99-M103 HydrophobicContact CG1-SD 4.36Å; V99-M103 WeakPolarHBondContact O-CG 3.17Å; V99-M103 PolarHBondContact O-N 2.84Å; V99-I204 HydrophobicContact CG1-CD1 4.11Å; V99-I204 HydrophobicContact CG1-CG1 4.28Å; V99-I204 HydrophobicContact CG1-CG2 4.09Å; V99-I204 HydrophobicContact CG2-CG2 4.21Å; V99-T208 HydrophobicContact CG2-CG2 4.25Å; V99-F210 HydrophobicContact CG2-CD2 4Å
100M98.3Very high98.2Very high5 Ų541.4 Ų41.43%0.02521%0.205CC..Hα-helixtrans-68.6-36.2-177.9-65.2-82.415700111.9S96 V97 M103 S104 I109 R111 A117 Q314S96-M100 WeakPolarHBondContact O-CB 3.49Å; S96-M100 WeakPolarHBondContact O-CG 3.46Å; S96-M100 PolarHBondContact O-N 3.19Å; S96-M100 VanDerWaalsContact O-N 3.12Å; V97-M100 PolarHBondContact O-N 2.68Å; M100-M103 HydrophobicContact CE-CE 3.74Å; M100-M103 HydrophobicContact CG-CE 4.19Å; M100-M103 HydrophobicContact SD-CE 3.52Å; M100-M103 VanDerWaalsContact SD-CE 3.52Å; M100-S104 WeakPolarHBondContact O-CB 3.38Å; M100-S104 PolarHBondContact O-N 2.83Å; M100-S104 PolarHBondContact O-OG 3.5Å; M100-I109 HydrophobicContact CB-CD1 4.28Å; M100-I109 WeakPolarHBondContact O-CD1 3.37Å; M100-I109 HydrophobicContact SD-CD1 4.15Å; M100-R111 HydrophobicContact CE-CB 4.45Å; M100-R111 HydrophobicContact CE-CG 3.75Å; M100-R111 HydrophobicContact SD-CB 3.74Å; M100-R111 VanDerWaalsContact SD-CD 3.54Å; M100-R111 HydrophobicContact SD-CG 3.54Å; M100-R111 VanDerWaalsContact SD-CG 3.54Å; M100-A117 HydrophobicContact CE-CB 3.95Å; M100-A117 HydrophobicContact SD-CB 3.82Å; M100-Q314 HydrophobicContact CB-CG 4.24Å; M100-Q314 PolarHBondContact O-NE2 3.18Å
101E98.2Very high98.2Very high106 Ų10641.9 Ų41.950%0.49520%0.204SC..Hα-helixtrans-62.2-50.1171.2-72.9172.3177.800110.8V97 M103 S104 R105V97-E101 HydrophobicContact CG1-CG 4.11Å; V97-E101 WeakPolarHBondContact CG1-OE1 3.48Å; V97-E101 WeakPolarHBondContact O-CG 3.49Å; V97-E101 PolarHBondContact O-N 3.24Å; E101-M103 PolarHBondContact O-N 2.86Å; E101-S104 PolarHBondContact O-N 2.68Å; E101-S104 VanDerWaalsContact O-N 3.12Å; E101-S104 PolarHBondContact O-OG 3.22Å; E101-R105 PolarHBondContact O-N 2.9Å
102I98.6Very high98.1Very high11 Ų1140.8 Ų40.86%0.05621%0.207CC..Hα-helixtrans-55.4-47.7177-72.6162.9000112.1E98 V99 S104 R105 F106 A203 I204 E207 T208E98-I102 WeakPolarHBondContact O-CD1 3.5Å; E98-I102 WeakPolarHBondContact O-CG1 3.46Å; E98-I102 PolarHBondContact O-N 2.86Å; V99-I102 PolarHBondContact O-N 2.93Å; I102-S104 VanDerWaalsContact C-N 3.34Å; I102-S104 PolarHBondContact O-N 3.05Å; I102-R105 WeakPolarHBondContact O-CB 3.46Å; I102-R105 PolarHBondContact O-N 3.09Å; I102-R105 PolarHBondContact O-NE 3.35Å; I102-F106 WeakPolarHBondContact O-CD2 3.43Å; I102-A203 HydrophobicContact CG2-CB 4.18Å; I102-I204 HydrophobicContact CB-CG1 4.36Å; I102-I204 HydrophobicContact CG2-CB 4.47Å; I102-I204 HydrophobicContact CG2-CG1 3.57Å; I102-E207 HydrophobicContact CD1-CB 3.74Å; I102-T208 HydrophobicContact CD1-CG2 3.46Å; I102-T208 VanDerWaalsContact CD1-CG2 3.46Å
103M98.4Very high98.1Very high2 Ų242.3 Ų42.31%0.0122%0.217CC..Hα-helixtrans-63.7-37.5178-68.1-174.5-61.400112.5V12 V99 M100 E101 R105 F106 I109 A117 M200 I204V12-M103 HydrophobicContact CB-SD 3.87Å; V12-M103 HydrophobicContact CG1-SD 4.01Å; V12-M103 HydrophobicContact CG2-SD 4.31Å; V99-M103 HydrophobicContact CG1-CE 4.01Å; V99-M103 HydrophobicContact CG1-SD 4.36Å; V99-M103 WeakPolarHBondContact O-CG 3.17Å; V99-M103 PolarHBondContact O-N 2.84Å; M100-M103 HydrophobicContact CE-CE 3.74Å; M100-M103 HydrophobicContact CG-CE 4.19Å; M100-M103 HydrophobicContact SD-CE 3.52Å; M100-M103 VanDerWaalsContact SD-CE 3.52Å; E101-M103 PolarHBondContact O-N 2.86Å; M103-R105 PolarHBondContact O-N 3.49Å; M103-R105 VanDerWaalsContact O-N 3.14Å; M103-F106 PolarHBondContact O-N 2.72Å; M103-F106 VanDerWaalsContact O-N 3.08Å; M103-I109 HydrophobicContact CB-CD1 4.33Å; M103-I109 HydrophobicContact CB-CG2 4.14Å; M103-I109 HydrophobicContact CE-CD1 4.47Å; M103-A117 HydrophobicContact CE-CB 3.51Å; M103-A117 HydrophobicContact SD-CB 4.2Å; M103-M200 HydrophobicContact CB-SD 4.21Å; M103-M200 HydrophobicContact CG-CG 4.26Å; M103-M200 HydrophobicContact CG-SD 3.81Å; M103-M200 HydrophobicContact SD-SD 4.43Å; M103-I204 HydrophobicContact CG-CD1 3.82Å; M103-I204 HydrophobicContact SD-CD1 4.31Å
104S97.5Very high98Very high47 Ų4741.5 Ų41.533%0.32922%0.217SC..Hα-helixtrans-65.1-14.9-179.571.90000114.4M100 E101 I102 F106M100-S104 WeakPolarHBondContact O-CB 3.38Å; M100-S104 PolarHBondContact O-N 2.83Å; M100-S104 PolarHBondContact O-OG 3.5Å; E101-S104 PolarHBondContact O-N 2.68Å; E101-S104 VanDerWaalsContact O-N 3.12Å; E101-S104 PolarHBondContact O-OG 3.22Å; I102-S104 VanDerWaalsContact C-N 3.34Å; I102-S104 PolarHBondContact O-N 3.05Å; S104-F106 VanDerWaalsContact C-N 3.32Å
105R98.3Very high98Very high139 Ų13939.4 Ų39.453%0.52521%0.209SC..THydrogen-bonded Turntrans-73.8-21.1173.2-55.2-176-55.9-158.78.1113.7E101 I102 M103 E207E101-R105 PolarHBondContact O-N 2.9Å; I102-R105 WeakPolarHBondContact O-CB 3.46Å; I102-R105 PolarHBondContact O-N 3.09Å; I102-R105 PolarHBondContact O-NE 3.35Å; M103-R105 PolarHBondContact O-N 3.49Å; M103-R105 VanDerWaalsContact O-N 3.14Å; R105-E207 IonicContact CZ-OE1 3.32Å; R105-E207 IonicContact CZ-OE2 3.62Å; R105-E207 IonicContact NH1-OE1 3.1Å; R105-E207 IonicContact NH1-OE2 3.41Å; R105-E207 PolarHBondContact NH1-OE2 2.7Å; R105-E207 VanDerWaalsContact NH2-CD 3.31Å; R105-E207 IonicContact NH2-OE1 2.81Å; R105-E207 PolarHBondContact NH2-OE1 3.26Å; R105-E207 IonicContact NH2-OE2 2.82Å; R105-E207 PolarHBondContact NH2-OE2 3.36Å; R105-E207 VanDerWaalsContact NH2-OE2 3.13Å
106F97.9Very high98Very high57 Ų5740.9 Ų40.925%0.2522%0.215CC..THydrogen-bonded Turntrans-92.6-44.8-176.7-70.4-95.7000112.2I102 M103 S104 I196 E199 M200 A203I102-F106 WeakPolarHBondContact O-CD2 3.43Å; M103-F106 PolarHBondContact O-N 2.72Å; M103-F106 VanDerWaalsContact O-N 3.08Å; S104-F106 VanDerWaalsContact C-N 3.32Å; F106-I196 HydrophobicContact CD1-CG2 4.21Å; F106-E199 HydrophobicContact CE1-CB 4.1Å; F106-M200 HydrophobicContact CB-CE 3.9Å; F106-M200 HydrophobicContact CD1-CB 4.3Å; F106-M200 HydrophobicContact CD2-CB 4.17Å; F106-M200 HydrophobicContact CD2-CG 3.77Å; F106-M200 HydrophobicContact CE1-CB 4.21Å; F106-M200 HydrophobicContact CE2-CB 4.08Å; F106-M200 HydrophobicContact CE2-CG 3.94Å; F106-M200 HydrophobicContact CG-CB 4.28Å; F106-M200 HydrophobicContact CG-CE 4.18Å; F106-M200 HydrophobicContact CG-CG 4.18Å; F106-M200 HydrophobicContact CZ-CB 4.11Å; F106-M200 HydrophobicContact CZ-CG 4.47Å; F106-A203 HydrophobicContact CE2-CB 4.14Å; F106-A203 HydrophobicContact CZ-CB 4Å
107A97.3Very high98Very high23 Ų2340.8 Ų40.819%0.1921%0.214CC..SBendtrans-166.2-177.5177.100000112.2I109 I119 D120 L121A107-I109 PolarHBondContact O-N 2.87Å; A107-I119 HydrophobicContact CB-CG2 3.7Å; A107-D120 VanDerWaalsContact CB-O 3.27Å; A107-D120 WeakPolarHBondContact CB-O 3.49Å; A107-L121 HydrophobicContact CB-CD2 4.17Å
108V96.1Very high98Very high80 Ų8037.5 Ų37.549%0.48519%0.194SC..  trans-66.2128.5176.6175.10000111.2D120 P312V108-D120 PolarHBondContact O-N 3.05Å; V108-P312 HydrophobicContact CG1-CB 3.65Å
109I98.1Very high98.1Very high7 Ų734.7 Ų34.74%0.03618%0.181CC..EExtended strand (participates in β ladder)trans-115.7145.2-178.969.3174.5000114.6M100 M103 A107 Y118 I119 R313 Q314M100-I109 HydrophobicContact CB-CD1 4.28Å; M100-I109 WeakPolarHBondContact O-CD1 3.37Å; M100-I109 HydrophobicContact SD-CD1 4.15Å; M103-I109 HydrophobicContact CB-CD1 4.33Å; M103-I109 HydrophobicContact CB-CG2 4.14Å; M103-I109 HydrophobicContact CE-CD1 4.47Å; A107-I109 PolarHBondContact O-N 2.87Å; I109-Y118 CarbonylContact C-O 3.57Å; I109-Y118 WeakPolarHBondContact CA-O 3.45Å; I109-I119 HydrophobicContact CG2-CB 4.36Å; I109-I119 HydrophobicContact CG2-CG1 3.73Å; I109-I119 HydrophobicContact CG2-CG2 4.19Å; I109-R313 CarbonylContact O-C 3.57Å; I109-R313 PolarHBondContact O-N 3.12Å; I109-Q314 HydrophobicContact CD1-CB 4.34Å; I109-Q314 HydrophobicContact CD1-CG 4.13Å; I109-Q314 HydrophobicContact CG1-CB 4.28Å
110E98.5Very high98.1Very high21 Ų2136.4 Ų36.410%0.09819%0.19CC..EExtended strand (participates in β ladder)trans-109.4103.1163-173.5174.4-166.800110.2A112 A117 Y118 K220 V310 K311 R313E110-A112 PolarHBondContact O-N 3.01Å; E110-A112 VanDerWaalsContact O-N 3.14Å; E110-A117 WeakPolarHBondContact O-CA 3.37Å; E110-Y118 PolarHBondContact N-O 3.29Å; E110-Y118 PolarHBondContact O-N 2.86Å; E110-K220 IonicContact OE2-NZ 3.6Å; E110-K220 PolarHBondContact OE2-NZ 3.05Å; E110-V310 HydrophobicContact CB-CG1 3.74Å; E110-K311 WeakPolarHBondContact CA-O 3.18Å; E110-K311 WeakPolarHBondContact CB-O 3.15Å; E110-K311 HydrophobicContact CG-CB 4.3Å; E110-K311 PolarHBondContact OE2-N 3.14Å; E110-R313 IonicContact OE1-CZ 3.86Å; E110-R313 IonicContact OE1-NE 2.77Å; E110-R313 IonicContact OE1-NH2 3.21Å; E110-R313 PolarHBondContact OE1-NH2 3.42Å
111R98Very high98.1Very high34 Ų3436.1 Ų36.113%0.12819%0.189CC..EExtended strand (participates in β ladder)trans-65.7111.1173.3-178.6169.3-172.8-108.512.4110.2S96 M100 S113 R313 Q314S96-R111 PolarHBondContact OG-NE 3.08Å; S96-R111 PolarHBondContact OG-NH2 3.37Å; M100-R111 HydrophobicContact CE-CB 4.45Å; M100-R111 HydrophobicContact CE-CG 3.75Å; M100-R111 HydrophobicContact SD-CB 3.74Å; M100-R111 VanDerWaalsContact SD-CD 3.54Å; M100-R111 HydrophobicContact SD-CG 3.54Å; M100-R111 VanDerWaalsContact SD-CG 3.54Å; R111-S113 WeakPolarHBondContact CG-O 3.37Å; R111-S113 PolarHBondContact NE-O 2.66Å; R111-R313 PolarHBondContact N-O 3.34Å; R111-R313 PolarHBondContact O-NH1 3.01Å; R111-R313 PolarHBondContact O-NH2 3.42Å; R111-Q314 VanDerWaalsContact CB-O 3.3Å; R111-Q314 WeakPolarHBondContact CB-O 3.45Å; R111-Q314 WeakPolarHBondContact CD-O 3.32Å
112A96.9Very high98.1Very high37 Ų3732.5 Ų32.531%0.30617%0.174SC..  trans-95.6-31.1-174.700000113E110 E116 Y118E110-A112 PolarHBondContact O-N 3.01Å; E110-A112 VanDerWaalsContact O-N 3.14Å; A112-E116 HydrophobicContact CB-CG 3.7Å; A112-E116 PolarHBondContact N-O 3.02Å; A112-Y118 HydrophobicContact CB-CD2 3.99Å; A112-Y118 HydrophobicContact CB-CE2 3.93Å
113S97.6Very high98.1Very high33 Ų3336.3 Ų36.323%0.23120%0.202CC..SBendtrans-132.2-147.7176.174.20000111.8R111 D115 E116R111-S113 WeakPolarHBondContact CG-O 3.37Å; R111-S113 PolarHBondContact NE-O 2.66Å; S113-D115 WeakPolarHBondContact CB-OD1 3.45Å; S113-D115 PolarHBondContact OG-N 3.43Å; S113-D115 PolarHBondContact OG-OD1 3.47Å; S113-E116 WeakPolarHBondContact CB-OE1 3.29Å; S113-E116 PolarHBondContact N-O 3.49Å; S113-E116 WeakPolarHBondContact OG-CB 3.28Å; S113-E116 WeakPolarHBondContact OG-CG 3.44Å; S113-E116 PolarHBondContact OG-N 3.48Å
114I97.9Very high98Very high39 Ų3937.2 Ų37.220%0.221%0.21CC..SBendtrans-92.5-21.8165.9-166165.9000111.9F17 F18 R93 S96F17-I114 HydrophobicContact CE1-CG1 4.33Å; F18-I114 HydrophobicContact CE1-CD1 4.05Å; F18-I114 HydrophobicContact CE1-CG2 3.88Å; F18-I114 HydrophobicContact CZ-CD1 4.1Å; F18-I114 HydrophobicContact CZ-CG2 4.34Å; R93-I114 HydrophobicContact CG-CD1 4.03Å; S96-I114 WeakPolarHBondContact CB-O 3.17Å; S96-I114 PolarHBondContact OG-O 3.45Å
115D98.4Very high98.1Very high50 Ų5035 Ų3527%0.26719%0.194SC..SBendtrans-122.7-1.6-170.8406.9000113.7D13 M14 F17 S113D13-D115 WeakPolarHBondContact CA-O 3.47Å; M14-D115 HydrophobicContact CB-CB 4.15Å; M14-D115 WeakPolarHBondContact CG-O 3.39Å; M14-D115 PolarHBondContact N-O 3.23Å; F17-D115 HydrophobicContact CB-CB 3.73Å; F17-D115 HydrophobicContact CD1-CB 3.69Å; F17-D115 HydrophobicContact CG-CB 3.83Å; S113-D115 WeakPolarHBondContact CB-OD1 3.45Å; S113-D115 PolarHBondContact OG-N 3.43Å; S113-D115 PolarHBondContact OG-OD1 3.47Å
116E98.4Very high98Very high33 Ų3331.6 Ų31.615%0.15418%0.184CC..EExtended strand (participates in β ladder)trans-136.2142.8-177.496.9-168.2116.500113.5L11 V12 D13 A112 S113 K224L11-E116 HydrophobicContact CD2-CB 4.2Å; L11-E116 HydrophobicContact CD2-CG 4.07Å; V12-E116 WeakPolarHBondContact O-CA 3.48Å; V12-E116 WeakPolarHBondContact O-CB 3.43Å; D13-E116 HydrophobicContact CB-CB 4.36Å; A112-E116 HydrophobicContact CB-CG 3.7Å; A112-E116 PolarHBondContact N-O 3.02Å; S113-E116 WeakPolarHBondContact CB-OE1 3.29Å; S113-E116 PolarHBondContact N-O 3.49Å; S113-E116 WeakPolarHBondContact OG-CB 3.28Å; S113-E116 WeakPolarHBondContact OG-CG 3.44Å; S113-E116 PolarHBondContact OG-N 3.48Å; E116-K224 WeakPolarHBondContact OE2-CD 3.34Å; E116-K224 WeakPolarHBondContact OE2-CE 3.32Å; E116-K224 IonicContact OE2-NZ 3.31Å; E116-K224 PolarHBondContact OE2-NZ 2.77Å
117A98.7Very high98Very high0 Ų033.6 Ų33.60%019%0.194CC..EExtended strand (participates in β ladder)trans-141.3142.5171.100000111.9L11 V12 M100 M103 E110 I119L11-A117 WeakPolarHBondContact CA-O 3.36Å; L11-A117 VanDerWaalsContact CD2-C 3.48Å; L11-A117 VanDerWaalsContact CD2-O 3.22Å; L11-A117 WeakPolarHBondContact CD2-O 3.48Å; V12-A117 PolarHBondContact N-O 3.22Å; V12-A117 PolarHBondContact O-N 3.46Å; V12-A117 VanDerWaalsContact O-N 3.09Å; M100-A117 HydrophobicContact CE-CB 3.95Å; M100-A117 HydrophobicContact SD-CB 3.82Å; M103-A117 HydrophobicContact CE-CB 3.51Å; M103-A117 HydrophobicContact SD-CB 4.2Å; E110-A117 WeakPolarHBondContact O-CA 3.37Å; A117-I119 WeakPolarHBondContact O-CD1 2.95Å
118Y98.8Very high97.9Very high1 Ų135.8 Ų35.80%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-84.7146.7165.6-68.3-79.6000110.3V9 A10 L11 I109 E110 A112 K220 K224 R256V9-Y118 HydrophobicContact CG1-CD1 4.34Å; A10-Y118 CarbonylContact O-C 3.45Å; A10-Y118 VanDerWaalsContact O-CA 3.29Å; A10-Y118 WeakPolarHBondContact O-CA 3.15Å; L11-Y118 HydrophobicContact CB-CD1 3.76Å; L11-Y118 HydrophobicContact CB-CE1 3.7Å; L11-Y118 HydrophobicContact CD2-CD1 3.76Å; L11-Y118 HydrophobicContact CD2-CD2 4.04Å; L11-Y118 HydrophobicContact CD2-CE1 3.75Å; L11-Y118 HydrophobicContact CD2-CE2 4.03Å; L11-Y118 HydrophobicContact CD2-CG 3.94Å; L11-Y118 HydrophobicContact CG-CD1 4.01Å; L11-Y118 HydrophobicContact CG-CE1 3.69Å; I109-Y118 CarbonylContact C-O 3.57Å; I109-Y118 WeakPolarHBondContact CA-O 3.45Å; E110-Y118 PolarHBondContact N-O 3.29Å; E110-Y118 PolarHBondContact O-N 2.86Å; A112-Y118 HydrophobicContact CB-CD2 3.99Å; A112-Y118 HydrophobicContact CB-CE2 3.93Å; Y118-K220 HydrophobicContact CD1-CB 3.8Å; Y118-K220 HydrophobicContact CD1-CD 3.92Å; Y118-K220 HydrophobicContact CD1-CG 3.6Å; Y118-K220 HydrophobicContact CD2-CD 3.98Å; Y118-K220 HydrophobicContact CE1-CB 3.48Å; Y118-K220 VanDerWaalsContact CE1-CB 3.48Å; Y118-K220 HydrophobicContact CE1-CD 4.34Å; Y118-K220 HydrophobicContact CE1-CG 3.86Å; Y118-K220 WeakPolarHBondContact CE1-O 3.37Å; Y118-K220 HydrophobicContact CE2-CB 4.48Å; Y118-K220 HydrophobicContact CE2-CD 4.4Å; Y118-K220 HydrophobicContact CG-CB 4.39Å; Y118-K220 HydrophobicContact CG-CD 3.69Å; Y118-K220 HydrophobicContact CG-CG 3.92Å; Y118-K220 VanDerWaalsContact CZ-O 3.29Å; Y118-K220 PolarHBondContact OH-O 3.47Å; Y118-K224 HydrophobicContact CE1-CB 4.27Å; Y118-K224 WeakPolarHBondContact OH-CB 3.28Å; Y118-R256 PolarHBondContact OH-NH1 3.03Å
119I98.7Very high97.9Very high0 Ų032.3 Ų32.30%018%0.176CC..EExtended strand (participates in β ladder)trans-129.7132.5177.7-48.394.1000108.2V9 A10 V12 A107 I109 A117 L121 M200V9-I119 WeakPolarHBondContact CA-O 3.46Å; A10-I119 HydrophobicContact CB-CB 4.36Å; A10-I119 HydrophobicContact CB-CD1 4.06Å; A10-I119 PolarHBondContact N-O 3.16Å; A10-I119 PolarHBondContact O-N 3.38Å; V12-I119 HydrophobicContact CB-CD1 4.22Å; V12-I119 HydrophobicContact CG2-CD1 3.67Å; A107-I119 HydrophobicContact CB-CG2 3.7Å; I109-I119 HydrophobicContact CG2-CB 4.36Å; I109-I119 HydrophobicContact CG2-CG1 3.73Å; I109-I119 HydrophobicContact CG2-CG2 4.19Å; A117-I119 WeakPolarHBondContact O-CD1 2.95Å; I119-L121 HydrophobicContact CB-CD2 4.49Å; I119-L121 HydrophobicContact CB-CG 4.49Å; I119-L121 HydrophobicContact CG2-CD2 3.65Å; I119-L121 HydrophobicContact CG2-CG 4.06Å; I119-M200 HydrophobicContact CD1-CE 4.45Å; I119-M200 HydrophobicContact CD1-SD 4.16Å; I119-M200 HydrophobicContact CG1-CE 4.21Å; I119-M200 HydrophobicContact CG1-SD 4.26Å; I119-M200 HydrophobicContact CG2-CE 4.24Å
120D98.6Very high97.7Very high39 Ų3938.4 Ų38.421%0.20921%0.205CC..EExtended strand (participates in β ladder)trans-93.3109.8168.6-151.8-56.1000108.6A107 V108 T122 V310A107-D120 VanDerWaalsContact CB-O 3.27Å; A107-D120 WeakPolarHBondContact CB-O 3.49Å; V108-D120 PolarHBondContact O-N 3.05Å; D120-T122 VanDerWaalsContact OD1-CB 3.28Å; D120-T122 WeakPolarHBondContact OD1-CB 3.39Å; D120-T122 PolarHBondContact OD1-N 3.49Å; D120-T122 PolarHBondContact OD1-OG1 2.84Å; D120-V310 HydrophobicContact CB-CB 3.95Å; D120-V310 HydrophobicContact CB-CG1 4.43Å; D120-V310 HydrophobicContact CB-CG2 3.86Å
121L98.7Very high97.4Very high0 Ų044 Ų440%023%0.229CC..  trans-97-0.4-175.9-65.1173.4000112.3V8 A10 A107 I119 S123 A124 V125 I196 V197 M200V8-L121 HydrophobicContact CB-CB 4.35Å; V8-L121 HydrophobicContact CG1-CB 4.11Å; V8-L121 PolarHBondContact O-N 3.35Å; A10-L121 HydrophobicContact CB-CD1 3.74Å; A10-L121 HydrophobicContact CB-CG 4.46Å; A107-L121 HydrophobicContact CB-CD2 4.17Å; I119-L121 HydrophobicContact CB-CD2 4.49Å; I119-L121 HydrophobicContact CB-CG 4.49Å; I119-L121 HydrophobicContact CG2-CD2 3.65Å; I119-L121 HydrophobicContact CG2-CG 4.06Å; L121-S123 VanDerWaalsContact C-N 3.31Å; L121-S123 PolarHBondContact O-N 3.33Å; L121-A124 PolarHBondContact O-N 3.3Å; L121-V125 HydrophobicContact CB-CG2 4.23Å; L121-V125 WeakPolarHBondContact O-CG2 3.22Å; L121-V125 PolarHBondContact O-N 3.19Å; L121-I196 HydrophobicContact CD2-CG2 3.99Å; L121-V197 HydrophobicContact CD1-CG2 3.52Å; L121-M200 HydrophobicContact CD2-CE 4.17Å
122T98.4Very high97.1Very high29 Ų2944 Ų4418%0.17823%0.231CC..Hα-helixtrans-53.2-45-169.9-48.70000112.3R7 V8 D120 Q126R7-T122 WeakPolarHBondContact CA-OG1 3.45Å; V8-T122 PolarHBondContact N-OG1 2.91Å; D120-T122 VanDerWaalsContact OD1-CB 3.28Å; D120-T122 WeakPolarHBondContact OD1-CB 3.39Å; D120-T122 PolarHBondContact OD1-N 3.49Å; D120-T122 PolarHBondContact OD1-OG1 2.84Å; T122-Q126 WeakPolarHBondContact O-CG 3.47Å; T122-Q126 PolarHBondContact O-N 3.48Å
123S98.1Very high96.6Very high92 Ų9250.6 Ų50.664%0.64326%0.255SS*.Hα-helixtrans-69-44.9175.8-54.60000113.3L121 V125 Q126 E127L121-S123 VanDerWaalsContact C-N 3.31Å; L121-S123 PolarHBondContact O-N 3.33Å; S123-V125 VanDerWaalsContact C-N 3.27Å; S123-V125 PolarHBondContact O-N 2.6Å; S123-Q126 PolarHBondContact O-N 3.18Å; S123-Q126 VanDerWaalsContact O-N 3.17Å; S123-E127 PolarHBondContact O-N 3.38Å
124A98.3Very high95.9Very high21 Ų2150.9 Ų50.917%0.17426%0.264CS..Hα-helixtrans-64.2-32.9-178.800000112.4L121 R128 I196L121-A124 PolarHBondContact O-N 3.3Å; A124-R128 WeakPolarHBondContact O-CB 3.46Å; A124-R128 PolarHBondContact O-N 3.46Å; A124-I196 HydrophobicContact CB-CD1 4.15Å
125V98.2Very high95.4Very high0 Ų055.2 Ų55.20%028%0.283CS..Hα-helixtrans-65.1-46.5172.6165.60000111.5V8 L121 S123 E127 R128 L129 Q189 V192 I196V8-V125 HydrophobicContact CB-CG2 4.2Å; V8-V125 HydrophobicContact CG1-CG2 4.13Å; V8-V125 HydrophobicContact CG2-CG1 4.41Å; V8-V125 HydrophobicContact CG2-CG2 4.21Å; L121-V125 HydrophobicContact CB-CG2 4.23Å; L121-V125 WeakPolarHBondContact O-CG2 3.22Å; L121-V125 PolarHBondContact O-N 3.19Å; S123-V125 VanDerWaalsContact C-N 3.27Å; S123-V125 PolarHBondContact O-N 2.6Å; V125-E127 PolarHBondContact O-N 3.18Å; V125-R128 PolarHBondContact O-N 2.62Å; V125-L129 HydrophobicContact CG1-CD1 3.87Å; V125-L129 HydrophobicContact CG1-CG 4.44Å; V125-L129 WeakPolarHBondContact O-CB 3.46Å; V125-L129 WeakPolarHBondContact O-CG 3.29Å; V125-L129 PolarHBondContact O-N 2.63Å; V125-Q189 HydrophobicContact CG1-CB 3.79Å; V125-Q189 HydrophobicContact CG1-CG 3.89Å; V125-V192 HydrophobicContact CB-CG1 4.38Å; V125-V192 HydrophobicContact CG1-CB 4.18Å; V125-V192 HydrophobicContact CG1-CG1 4.13Å; V125-V192 HydrophobicContact CG2-CG1 4.27Å; V125-I196 HydrophobicContact CG2-CD1 4.04Å
126Q96.9Very high95.1Very high67 Ų6757.5 Ų57.531%0.31330%0.301SS..Hα-helixtrans-62.8-42.7177.6-64.5-60.3-31.300111.7T122 S123 R128 L129 Q130 Q189T122-Q126 WeakPolarHBondContact O-CG 3.47Å; T122-Q126 PolarHBondContact O-N 3.48Å; S123-Q126 PolarHBondContact O-N 3.18Å; S123-Q126 VanDerWaalsContact O-N 3.17Å; Q126-R128 VanDerWaalsContact C-N 3.34Å; Q126-R128 PolarHBondContact O-N 3.17Å; Q126-L129 PolarHBondContact O-N 3.08Å; Q126-Q130 VanDerWaalsContact O-CG 3.31Å; Q126-Q130 WeakPolarHBondContact O-CG 3.5Å; Q126-Q130 PolarHBondContact O-N 3.07Å; Q126-Q130 VanDerWaalsContact O-N 3.08Å; Q126-Q189 VanDerWaalsContact NE2-NE2 3.13Å
127E96.9Very high95Very high100 Ų10056.6 Ų56.647%0.46730%0.297SS..Hα-helixtrans-60-41.4172.4-79.5-169.8-132.300113.1S123 V125 K131S123-E127 PolarHBondContact O-N 3.38Å; V125-E127 PolarHBondContact O-N 3.18Å; E127-K131 VanDerWaalsContact O-CD 3.28Å; E127-K131 WeakPolarHBondContact O-CD 3.11Å; E127-K131 VanDerWaalsContact O-CG 3.23Å; E127-K131 WeakPolarHBondContact O-CG 3.35Å; E127-K131 PolarHBondContact O-N 2.8Å; E127-K131 VanDerWaalsContact O-N 3.16Å; E127-K131 IonicContact OE2-NZ 3.73Å; E127-K131 PolarHBondContact OE2-NZ 3.27Å
128R96.8Very high94.9Very high68 Ų6859 Ų5926%0.25731%0.314SS..Hα-helixtrans-70.6-38.2-179.7-17863.469.792.25.4111.6A124 V125 Q126 K131 L132 V192 I196 E199A124-R128 WeakPolarHBondContact O-CB 3.46Å; A124-R128 PolarHBondContact O-N 3.46Å; V125-R128 PolarHBondContact O-N 2.62Å; Q126-R128 VanDerWaalsContact C-N 3.34Å; Q126-R128 PolarHBondContact O-N 3.17Å; R128-K131 PolarHBondContact O-N 3.24Å; R128-L132 HydrophobicContact CG-CD1 4.07Å; R128-L132 WeakPolarHBondContact O-CG 3.31Å; R128-L132 PolarHBondContact O-N 2.96Å; R128-V192 HydrophobicContact CB-CG1 3.61Å; R128-V192 HydrophobicContact CG-CG1 3.49Å; R128-V192 VanDerWaalsContact CG-CG1 3.49Å; R128-I196 HydrophobicContact CB-CD1 4.2Å; R128-E199 IonicContact CZ-OE1 2.63Å; R128-E199 VanDerWaalsContact CZ-OE1 3.29Å; R128-E199 IonicContact CZ-OE2 2.78Å; R128-E199 IonicContact NH1-OE1 2.72Å; R128-E199 PolarHBondContact NH1-OE1 2.68Å; R128-E199 IonicContact NH1-OE2 2.68Å; R128-E199 VanDerWaalsContact NH2-CD 3.29Å; R128-E199 IonicContact NH2-OE1 3.45Å; R128-E199 PolarHBondContact NH2-OE1 2.81Å; R128-E199 IonicContact NH2-OE2 2.82Å; R128-E199 PolarHBondContact NH2-OE2 2.89Å
129L95.1Very high94.8Very high7 Ų759.9 Ų59.94%0.03732%0.322CS..Hα-helixtrans-60.5-43.7173.4-77.9168.2000112.1V125 Q126 K131 L132 Q133 L183 L188 Q189 V192V125-L129 HydrophobicContact CG1-CD1 3.87Å; V125-L129 HydrophobicContact CG1-CG 4.44Å; V125-L129 WeakPolarHBondContact O-CB 3.46Å; V125-L129 WeakPolarHBondContact O-CG 3.29Å; V125-L129 PolarHBondContact O-N 2.63Å; Q126-L129 PolarHBondContact O-N 3.08Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 3.02Å; L129-L132 PolarHBondContact O-N 3.32Å; L129-Q133 PolarHBondContact O-N 3.31Å; L129-L183 HydrophobicContact CB-CD2 3.86Å; L129-L183 HydrophobicContact CD2-CD2 4.28Å; L129-L188 HydrophobicContact CD2-CD2 3.86Å; L129-L188 HydrophobicContact CD2-CG 3.94Å; L129-Q189 HydrophobicContact CD1-CG 3.8Å; L129-V192 HydrophobicContact CD2-CG2 3.74Å; L129-V192 HydrophobicContact CG-CG2 4.13Å
130Q93.3Very high94.8Very high136 Ų13666.3 Ų66.364%0.63636%0.356SS*.Hα-helixtrans-62.3-34174.2-69.8169.214.600112.8Q126 Q133Q126-Q130 VanDerWaalsContact O-CG 3.31Å; Q126-Q130 WeakPolarHBondContact O-CG 3.5Å; Q126-Q130 PolarHBondContact O-N 3.07Å; Q126-Q130 VanDerWaalsContact O-N 3.08Å; Q130-Q133 VanDerWaalsContact O-CG 3.29Å; Q130-Q133 WeakPolarHBondContact O-CG 3.22Å
131K93.9Very high94.8Very high138 Ų13868.3 Ų68.360%0.637%0.366SS*.Hα-helixtrans-76.8-27.7176.5-67.4160-164.8166.80112.7E127 R128 L129E127-K131 VanDerWaalsContact O-CD 3.28Å; E127-K131 WeakPolarHBondContact O-CD 3.11Å; E127-K131 VanDerWaalsContact O-CG 3.23Å; E127-K131 WeakPolarHBondContact O-CG 3.35Å; E127-K131 PolarHBondContact O-N 2.8Å; E127-K131 VanDerWaalsContact O-N 3.16Å; E127-K131 IonicContact OE2-NZ 3.73Å; E127-K131 PolarHBondContact OE2-NZ 3.27Å; R128-K131 PolarHBondContact O-N 3.24Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 3.02Å
132L91Very high94.8Very high34 Ų3468.4 Ų68.418%0.17837%0.366CS..Hα-helixtrans-76.3-28.3177-80.4162.4000113.5R128 L129 G134 Q135 V192R128-L132 HydrophobicContact CG-CD1 4.07Å; R128-L132 WeakPolarHBondContact O-CG 3.31Å; R128-L132 PolarHBondContact O-N 2.96Å; L129-L132 PolarHBondContact O-N 3.32Å; L132-G134 PolarHBondContact O-N 3.44Å; L132-G134 VanDerWaalsContact O-N 3.1Å; L132-Q135 HydrophobicContact CD2-CB 4.42Å; L132-Q135 VanDerWaalsContact O-CB 3.27Å; L132-Q135 WeakPolarHBondContact O-CB 3.3Å; L132-Q135 VanDerWaalsContact O-CG 3.27Å; L132-Q135 WeakPolarHBondContact O-CG 3.22Å; L132-Q135 PolarHBondContact O-N 2.86Å; L132-V192 HydrophobicContact CD1-CG2 3.96Å
133Q86.8Confident94.8Very high175 Ų17570.5 Ų70.582%0.81838%0.381SS*.THydrogen-bonded Turntrans50.735.6177.4-58.1-170.3-11.600114.8L129 Q130L129-Q133 PolarHBondContact O-N 3.31Å; Q130-Q133 VanDerWaalsContact O-CG 3.29Å; Q130-Q133 WeakPolarHBondContact O-CG 3.22Å
134G81.4Confident94.8Very high40 Ų4066.7 Ų66.741%0.41235%0.354SS..THydrogen-bonded Turntrans84.53.6-178.800000115.4L132L132-G134 PolarHBondContact O-N 3.44Å; L132-G134 VanDerWaalsContact O-N 3.1Å
135Q88.9Confident94.8Very high129 Ų12965.7 Ų65.760%0.60335%0.346SS*.  trans-61.1140.6173.3-71.8-180-1.100111.9L132L132-Q135 HydrophobicContact CD2-CB 4.42Å; L132-Q135 VanDerWaalsContact O-CB 3.27Å; L132-Q135 WeakPolarHBondContact O-CB 3.3Å; L132-Q135 VanDerWaalsContact O-CG 3.27Å; L132-Q135 WeakPolarHBondContact O-CG 3.22Å; L132-Q135 PolarHBondContact O-N 2.86Å
136P91.7Very high94.8Very high99 Ų9967 Ų6764%0.64335%0.351SS*.  trans-67.1144.4177.728.6-35.3000111.9S138 L180P136-S138 PolarHBondContact O-N 3.08Å; P136-L180 HydrophobicContact CB-CD1 3.74Å
137I95.6Very high94.9Very high13 Ų1364.1 Ų64.17%0.06734%0.338CS..  trans-85.2109.7177.3-58.3173.2000108.3L141 L142 L175 L188 T191 V192 V195I137-L141 HydrophobicContact CG2-CB 4.47Å; I137-L141 HydrophobicContact CG2-CD1 4.24Å; I137-L142 HydrophobicContact CG2-CD1 4.15Å; I137-L175 HydrophobicContact CB-CD2 4.3Å; I137-L175 HydrophobicContact CG2-CD2 4.37Å; I137-L188 HydrophobicContact CD1-CD1 3.9Å; I137-T191 HydrophobicContact CD1-CG2 3.81Å; I137-T191 HydrophobicContact CG2-CG2 4.35Å; I137-V192 HydrophobicContact CD1-CG2 3.65Å; I137-V195 HydrophobicContact CG2-CG2 3.91Å
138S96.5Very high95Very high52 Ų5261.8 Ų61.836%0.36433%0.327SS..  trans-65.6145.9174-174.60000111.5P136 D140 L141P136-S138 PolarHBondContact O-N 3.08Å; S138-D140 PolarHBondContact O-N 3.07Å; S138-D140 VanDerWaalsContact O-N 3.16Å; S138-D140 PolarHBondContact OG-N 3.35Å; S138-D140 PolarHBondContact OG-OD2 2.94Å; S138-L141 WeakPolarHBondContact O-CB 3.14Å; S138-L141 PolarHBondContact O-N 3.15Å
139A97.6Very high95Very high19 Ų1960.1 Ų60.116%0.15733%0.331CS..G310 helixtrans-57.2-23.6168.800000113L141 L142 L171 F172 L175A139-L141 PolarHBondContact O-N 3.1Å; A139-L142 CarbonylContact O-C 3.38Å; A139-L142 PolarHBondContact O-N 3.04Å; A139-L171 HydrophobicContact CB-CD2 3.96Å; A139-L171 HydrophobicContact CB-CG 4.41Å; A139-F172 HydrophobicContact CB-CD1 4.36Å; A139-F172 HydrophobicContact CB-CE1 3.75Å; A139-F172 HydrophobicContact CB-CZ 4.26Å; A139-L175 HydrophobicContact CB-CD1 3.85Å
140D97.7Very high95Very high135 Ų13561.6 Ų61.672%0.72234%0.339SS*.G310 helixtrans-64.1-24.5175.2-52-55.7000113S138 L142 P143S138-D140 PolarHBondContact O-N 3.07Å; S138-D140 VanDerWaalsContact O-N 3.16Å; S138-D140 PolarHBondContact OG-N 3.35Å; S138-D140 PolarHBondContact OG-OD2 2.94Å; D140-L142 PolarHBondContact O-N 3.06Å; D140-P143 WeakPolarHBondContact O-CD 3.45Å
141L98.3Very high95.1Very high81 Ų8156.2 Ų56.242%0.42432%0.316SS..G310 helixtrans-80.7-5.8174.8-57.8177.2000112.6I137 S138 A139 V195I137-L141 HydrophobicContact CG2-CB 4.47Å; I137-L141 HydrophobicContact CG2-CD1 4.24Å; S138-L141 WeakPolarHBondContact O-CB 3.14Å; S138-L141 PolarHBondContact O-N 3.15Å; A139-L141 PolarHBondContact O-N 3.1Å; L141-V195 HydrophobicContact CB-CG1 4.17Å; L141-V195 HydrophobicContact CB-CG2 4.01Å
142L98.6Very high94.8Very high1 Ų155.1 Ų55.11%0.00531%0.313CS..  trans-12949.2-177.7-66.5170.5000111.2I137 A139 D140 S144 T145 R167 L171 L175 T191 A194 V195 E198I137-L142 HydrophobicContact CG2-CD1 4.15Å; A139-L142 CarbonylContact O-C 3.38Å; A139-L142 PolarHBondContact O-N 3.04Å; D140-L142 PolarHBondContact O-N 3.06Å; L142-S144 PolarHBondContact O-N 3.28Å; L142-S144 VanDerWaalsContact O-N 3.17Å; L142-T145 HydrophobicContact CD2-CG2 4.38Å; L142-T145 PolarHBondContact O-N 3.12Å; L142-R167 PolarHBondContact O-NH1 2.81Å; L142-L171 HydrophobicContact CB-CD1 4.08Å; L142-L171 HydrophobicContact CB-CD2 3.88Å; L142-L171 HydrophobicContact CD1-CD1 3.79Å; L142-L171 WeakPolarHBondContact O-CD2 3.38Å; L142-L175 HydrophobicContact CD1-CD2 4.21Å; L142-T191 HydrophobicContact CD1-CG2 3.75Å; L142-A194 HydrophobicContact CD2-CB 3.65Å; L142-V195 HydrophobicContact CD1-CG2 4.48Å; L142-V195 HydrophobicContact CD2-CB 4.48Å; L142-V195 HydrophobicContact CD2-CG2 3.71Å; L142-V195 HydrophobicContact CG-CG2 3.98Å; L142-E198 VanDerWaalsContact C-OE1 3.32Å; L142-E198 HydrophobicContact CD2-CG 4.38Å
143P98.4Very high94.5Very high73 Ų7356.2 Ų56.247%0.47433%0.332SS..THydrogen-bonded Turntrans-70.4-14.9-166.831.7-38.9000114.3D140 R167D140-P143 WeakPolarHBondContact O-CD 3.45Å; P143-R167 VanDerWaalsContact O-CZ 3.27Å; P143-R167 PolarHBondContact O-NH2 2.95Å
144S98.5Very high93.6Very high13 Ų1354.6 Ų54.69%0.09134%0.337CS..THydrogen-bonded Turntrans-13111-178.5880000113.3L142 E198 R201 R234 Q235L142-S144 PolarHBondContact O-N 3.28Å; L142-S144 VanDerWaalsContact O-N 3.17Å; S144-E198 WeakPolarHBondContact CA-OE1 3.4Å; S144-E198 PolarHBondContact N-OE1 3.34Å; S144-E198 PolarHBondContact OG-OE1 3Å; S144-E198 PolarHBondContact OG-OE2 3.42Å; S144-R201 PolarHBondContact OG-NH1 2.94Å; S144-R201 PolarHBondContact OG-NH2 3.18Å; S144-R234 VanDerWaalsContact O-CD 3.23Å; S144-R234 WeakPolarHBondContact O-CD 3.38Å; S144-Q235 PolarHBondContact O-N 3.04Å; S144-Q235 VanDerWaalsContact O-N 3.08Å
145T98.9Very high92.5Very high0 Ų056.3 Ų56.30%034%0.339CS..EExtended strand (participates in β ladder)trans-85.6133.2-179.2-62.80000112.1L142 I147 R167 A194 E198 Q235L142-T145 HydrophobicContact CD2-CG2 4.38Å; L142-T145 PolarHBondContact O-N 3.12Å; T145-I147 HydrophobicContact CG2-CD1 4.03Å; T145-R167 VanDerWaalsContact O-CD 3.26Å; T145-R167 WeakPolarHBondContact O-CD 3.46Å; T145-R167 WeakPolarHBondContact O-CG 3.44Å; T145-R167 PolarHBondContact O-NH1 2.8Å; T145-A194 HydrophobicContact CG2-CB 4.36Å; T145-E198 PolarHBondContact N-OE1 2.82Å; T145-E198 PolarHBondContact OG1-OE1 3.37Å; T145-Q235 CarbonylContact C-O 3.19Å; T145-Q235 WeakPolarHBondContact CA-O 3.35Å; T145-Q235 HydrophobicContact CG2-CG 4.39Å; T145-Q235 VanDerWaalsContact OG1-CG 3.23Å; T145-Q235 WeakPolarHBondContact OG1-CG 3.44Å; T145-Q235 PolarHBondContact OG1-NE2 3.27Å
146Y98.8Very high91Very high26 Ų2655 Ų5510%0.10234%0.34CS..EExtended strand (participates in β ladder)trans-102.4147.9164.1-76.3-104.6000109.5K163 R167 N230 R234 Q235 T236 L237Y146-K163 HydrophobicContact CE1-CG 4.48Å; Y146-K163 WeakPolarHBondContact OH-CD 3.33Å; Y146-K163 WeakPolarHBondContact OH-CE 3.31Å; Y146-K163 WeakPolarHBondContact OH-CG 3.26Å; Y146-R167 HydrophobicContact CD1-CB 4.08Å; Y146-R167 HydrophobicContact CD1-CG 3.82Å; Y146-R167 HydrophobicContact CD2-CG 3.72Å; Y146-R167 HydrophobicContact CE1-CB 3.65Å; Y146-R167 HydrophobicContact CE1-CG 3.8Å; Y146-R167 HydrophobicContact CE2-CB 4.19Å; Y146-R167 VanDerWaalsContact CE2-CD 3.41Å; Y146-R167 HydrophobicContact CE2-CG 3.67Å; Y146-R167 HydrophobicContact CG-CG 3.78Å; Y146-N230 HydrophobicContact CD2-CB 3.88Å; Y146-N230 HydrophobicContact CE2-CB 4.16Å; Y146-N230 HydrophobicContact CG-CB 4.19Å; Y146-R234 HydrophobicContact CD2-CB 4.21Å; Y146-R234 HydrophobicContact CD2-CG 4.37Å; Y146-R234 HydrophobicContact CE2-CB 4.1Å; Y146-R234 HydrophobicContact CE2-CG 3.77Å; Y146-Q235 PolarHBondContact N-O 3.27Å; Y146-T236 CarbonylContact O-C 3.56Å; Y146-T236 WeakPolarHBondContact O-CA 3.41Å; Y146-L237 PolarHBondContact O-N 3.39Å
147I98.6Very high89.2Confident7 Ų754.1 Ų54.14%0.03634%0.341CS..EExtended strand (participates in β ladder)trans-108.8122.7169.8-48.6-61.6000107.5T145 L150 L171 W174 L237T145-I147 HydrophobicContact CG2-CD1 4.03Å; I147-L150 HydrophobicContact CB-CB 4.38Å; I147-L150 HydrophobicContact CB-CD1 4.39Å; I147-L150 HydrophobicContact CG2-CB 4.49Å; I147-L150 HydrophobicContact CG2-CD1 3.86Å; I147-L150 HydrophobicContact CG2-CG 4.35Å; I147-L150 PolarHBondContact O-N 2.8Å; I147-L171 HydrophobicContact CD1-CD1 4.31Å; I147-L171 HydrophobicContact CG1-CD1 4.33Å; I147-W174 HydrophobicContact CB-CB 4.38Å; I147-W174 HydrophobicContact CB-CG 4.47Å; I147-W174 HydrophobicContact CD1-CB 4.38Å; I147-W174 HydrophobicContact CD1-CD2 4.29Å; I147-W174 HydrophobicContact CD1-CG 3.88Å; I147-W174 HydrophobicContact CG1-CB 3.76Å; I147-W174 HydrophobicContact CG1-CD2 4.36Å; I147-W174 HydrophobicContact CG1-CG 3.78Å; I147-W174 HydrophobicContact CG2-CB 4.2Å; I147-W174 HydrophobicContact CG2-CD2 3.75Å; I147-W174 HydrophobicContact CG2-CE3 3.69Å; I147-W174 HydrophobicContact CG2-CG 4.01Å; I147-W174 HydrophobicContact CG2-CZ3 4.3Å; I147-L237 HydrophobicContact CD1-CB 3.86Å; I147-L237 HydrophobicContact CD1-CD1 4.11Å; I147-L237 HydrophobicContact CD1-CD2 4.48Å; I147-L237 HydrophobicContact CD1-CG 4.38Å; I147-L237 HydrophobicContact CG2-CD2 4.48Å
148E98.4Very high87.3Confident51 Ų5162.3 Ų62.324%0.23838%0.379CS..THydrogen-bonded Turntrans-70.3133.8-175.4-173.757-153.700111.8L229 T236 L237 V238 L246E148-L229 HydrophobicContact CG-CD1 4.1Å; E148-L229 VanDerWaalsContact OE2-CD1 3.3Å; E148-L229 WeakPolarHBondContact OE2-CD1 3.31Å; E148-T236 HydrophobicContact CB-CG2 4.21Å; E148-L237 WeakPolarHBondContact CB-O 3.44Å; E148-L237 PolarHBondContact N-O 2.81Å; E148-V238 HydrophobicContact CB-CG2 3.71Å; E148-V238 HydrophobicContact CG-CG2 4.07Å; E148-L246 HydrophobicContact CG-CD1 4.13Å; E148-L246 HydrophobicContact CG-CD2 4.27Å
149G96.3Very high85.3Confident34 Ų3465.9 Ų65.935%0.35139%0.39SS..THydrogen-bonded Turntrans82.71.9-175.500000115.5
150L96.7Very high83.3Confident38 Ų3866.4 Ų66.420%0.19939%0.391CS..  trans-122.4150.4177.2-65-178.5000112.1I147 Q152 W174I147-L150 HydrophobicContact CB-CB 4.38Å; I147-L150 HydrophobicContact CB-CD1 4.39Å; I147-L150 HydrophobicContact CG2-CB 4.49Å; I147-L150 HydrophobicContact CG2-CD1 3.86Å; I147-L150 HydrophobicContact CG2-CG 4.35Å; I147-L150 PolarHBondContact O-N 2.8Å; L150-Q152 HydrophobicContact CD2-CB 4.2Å; L150-Q152 HydrophobicContact CD2-CG 3.63Å; L150-W174 HydrophobicContact CD1-CB 3.87Å; L150-W174 HydrophobicContact CD1-CE3 4.04Å
151P94.4Very high81.9Confident22 Ų2266 Ų6614%0.14339%0.393CS..SBendcis-75.3155.21.931.5-35.3000113.4M166 Q169P151-M166 WeakPolarHBondContact CD-O 3.44Å; P151-M166 HydrophobicContact CG-CE 3.73Å; P151-M166 HydrophobicContact CG-SD 4.08Å; P151-Q169 HydrophobicContact CB-CB 4.25Å; P151-Q169 HydrophobicContact CG-CB 4.18Å
152Q88.8Confident81.3Confident116 Ų11669 Ų6954%0.54241%0.405SS..  trans-127.9162.4173.868.1-176.2-26.700111.4L150 Q173L150-Q152 HydrophobicContact CD2-CB 4.2Å; L150-Q152 HydrophobicContact CD2-CG 3.63Å; Q152-Q173 PolarHBondContact O-NE2 2.91Å; Q152-Q173 PolarHBondContact O-OE1 3.3Å
153G83.4Confident81Confident56 Ų5674.8 Ų74.858%0.57743%0.43SS*.SBendtrans90.6-167.6-178.700000114.1T155G153-T155 PolarHBondContact O-N 3.31Å
154P67.6Low80.8Confident142 Ų14274.1 Ų74.192%0.92242%0.421SS*.SBendtrans-73.1112-176.729.3-33.6000111.3
155T58Low80.6Confident76 Ų7674.3 Ų74.347%0.46643%0.425SS..  trans-86.6141.517941.90000112.7G153 T160G153-T155 PolarHBondContact O-N 3.31Å; T155-T160 HydrophobicContact CG2-CG2 3.93Å
156T57.3Low80.3Confident102 Ų10277.5 Ų77.563%0.62644%0.441SS*.  trans-72.4130.2162.8400000109.5E158 T160T156-E158 VanDerWaalsContact C-N 3.35Å; T156-E158 PolarHBondContact O-N 3.02Å; T156-T160 PolarHBondContact O-OG1 2.74Å; T156-T160 VanDerWaalsContact O-OG1 3.12Å
157A53.8Low80.2Confident79 Ų7976.8 Ų76.865%0.65344%0.438SS*.THydrogen-bonded Turntrans-75.8-15.5-161.600000115.5T160A157-T160 PolarHBondContact O-OG1 3.38Å
158E56.9Low80.1Confident185 Ų18581.4 Ų81.486%0.86446%0.458SS*.THydrogen-bonded Turntrans-90.4-33.6-166.6-60.9-173147.500114.1T156T156-E158 VanDerWaalsContact C-N 3.35Å; T156-E158 PolarHBondContact O-N 3.02Å
159E53.7Low79.9Confident127 Ų12780.4 Ų80.459%0.59345%0.453SS*.THydrogen-bonded Turntrans-85.4-23.3177.8-68.8-166.8146.400113.7V161 Q169E159-V161 VanDerWaalsContact C-N 3.27Å; E159-V161 PolarHBondContact O-N 3.42Å; E159-Q169 PolarHBondContact OE2-NE2 3.43Å
160T57.2Low80Confident30 Ų3078.9 Ų78.918%0.18444%0.437CS..THydrogen-bonded Turntrans-76.5-10-167.242.20000114.5T155 T156 A157 Q162 M166T155-T160 HydrophobicContact CG2-CG2 3.93Å; T156-T160 PolarHBondContact O-OG1 2.74Å; T156-T160 VanDerWaalsContact O-OG1 3.12Å; A157-T160 PolarHBondContact O-OG1 3.38Å; T160-Q162 PolarHBondContact O-N 2.78Å; T160-M166 HydrophobicContact CG2-SD 3.57Å; T160-M166 VanDerWaalsContact CG2-SD 3.57Å; T160-M166 VanDerWaalsContact O-CG 3.29Å; T160-M166 WeakPolarHBondContact O-CG 3.46Å
161V67.3Low80Confident127 Ų12777.1 Ų77.177%0.7743%0.428SS*.THydrogen-bonded Turntrans-68.6-19.6179.6-148.80000112.8E159E159-V161 VanDerWaalsContact C-N 3.27Å; E159-V161 PolarHBondContact O-N 3.42Å
162Q86.6Confident80.1Confident144 Ų14481 Ų8167%0.67344%0.443SS*.SBendtrans-105133.2-179.5-60.2-168.717.800112.1T160 E164 G165 M166T160-Q162 PolarHBondContact O-N 2.78Å; Q162-E164 PolarHBondContact O-N 2.87Å; Q162-E164 VanDerWaalsContact O-N 3.15Å; Q162-G165 WeakPolarHBondContact O-CA 3.49Å; Q162-G165 PolarHBondContact O-N 3.26Å; Q162-M166 PolarHBondContact O-N 3.27Å
163K91.6Very high80.5Confident123 Ų12378.9 Ų78.954%0.53543%0.433SS..Hα-helixtrans-58.4-32.6-177.1-158.7-170174.4-173.30113.5Y146 R167 N230Y146-K163 HydrophobicContact CE1-CG 4.48Å; Y146-K163 WeakPolarHBondContact OH-CD 3.33Å; Y146-K163 WeakPolarHBondContact OH-CE 3.31Å; Y146-K163 WeakPolarHBondContact OH-CG 3.26Å; K163-R167 PolarHBondContact O-N 3.31Å; K163-N230 WeakPolarHBondContact CE-OD1 3.41Å; K163-N230 PolarHBondContact NZ-OD1 3.49Å
164E94.6Very high81.2Confident58 Ų5877 Ų7727%0.27141%0.409SS..Hα-helixtrans-74.7-31.3175.9-174.159.7-143.600112.5Q162 R167 K168 R234Q162-E164 PolarHBondContact O-N 2.87Å; Q162-E164 VanDerWaalsContact O-N 3.15Å; E164-R167 PolarHBondContact O-N 3.18Å; E164-R167 IonicContact OE1-CZ 2.69Å; E164-R167 IonicContact OE1-NE 3.18Å; E164-R167 PolarHBondContact OE1-NE 3.13Å; E164-R167 IonicContact OE1-NH2 2.66Å; E164-R167 PolarHBondContact OE1-NH2 3.36Å; E164-R167 IonicContact OE2-NE 2.76Å; E164-R167 PolarHBondContact OE2-NE 3.16Å; E164-K168 WeakPolarHBondContact O-CG 3Å; E164-K168 PolarHBondContact O-N 3.36Å; E164-R234 IonicContact OE2-NE 3.58Å; E164-R234 IonicContact OE2-NH2 2.73Å; E164-R234 PolarHBondContact OE2-NH2 2.93Å
165G92.8Very high82.6Confident18 Ų1871.6 Ų71.619%0.18637%0.372CS..Hα-helixtrans-64.2-50.117100000111.1Q162 R167 K168 Q169Q162-G165 WeakPolarHBondContact O-CA 3.49Å; Q162-G165 PolarHBondContact O-N 3.26Å; G165-R167 VanDerWaalsContact C-N 3.32Å; G165-R167 PolarHBondContact O-N 2.92Å; G165-K168 PolarHBondContact O-N 2.85Å; G165-K168 VanDerWaalsContact O-N 3.12Å; G165-Q169 PolarHBondContact O-N 3.41Å
166M93.1Very high84.4Confident67 Ų6774.6 Ų74.633%0.3339%0.385SS..Hα-helixtrans-54.5-44.9172.5-72.7-66.4-72.100112.3P151 T160 Q162 K168 Q169 G170P151-M166 WeakPolarHBondContact CD-O 3.44Å; P151-M166 HydrophobicContact CG-CE 3.73Å; P151-M166 HydrophobicContact CG-SD 4.08Å; T160-M166 HydrophobicContact CG2-SD 3.57Å; T160-M166 VanDerWaalsContact CG2-SD 3.57Å; T160-M166 VanDerWaalsContact O-CG 3.29Å; T160-M166 WeakPolarHBondContact O-CG 3.46Å; Q162-M166 PolarHBondContact O-N 3.27Å; M166-K168 PolarHBondContact O-N 3.45Å; M166-Q169 PolarHBondContact O-N 3.09Å; M166-G170 PolarHBondContact O-N 3.1Å
167R97.1Very high86.2Confident11 Ų1173.6 Ų73.64%0.04238%0.382CS..Hα-helixtrans-57.1-48.6175.6-170.4-165.273.379.60111.9L142 P143 T145 Y146 K163 E164 G165 G170 L171L142-R167 PolarHBondContact O-NH1 2.81Å; P143-R167 VanDerWaalsContact O-CZ 3.27Å; P143-R167 PolarHBondContact O-NH2 2.95Å; T145-R167 VanDerWaalsContact O-CD 3.26Å; T145-R167 WeakPolarHBondContact O-CD 3.46Å; T145-R167 WeakPolarHBondContact O-CG 3.44Å; T145-R167 PolarHBondContact O-NH1 2.8Å; Y146-R167 HydrophobicContact CD1-CB 4.08Å; Y146-R167 HydrophobicContact CD1-CG 3.82Å; Y146-R167 HydrophobicContact CD2-CG 3.72Å; Y146-R167 HydrophobicContact CE1-CB 3.65Å; Y146-R167 HydrophobicContact CE1-CG 3.8Å; Y146-R167 HydrophobicContact CE2-CB 4.19Å; Y146-R167 VanDerWaalsContact CE2-CD 3.41Å; Y146-R167 HydrophobicContact CE2-CG 3.67Å; Y146-R167 HydrophobicContact CG-CG 3.78Å; K163-R167 PolarHBondContact O-N 3.31Å; E164-R167 PolarHBondContact O-N 3.18Å; E164-R167 IonicContact OE1-CZ 2.69Å; E164-R167 IonicContact OE1-NE 3.18Å; E164-R167 PolarHBondContact OE1-NE 3.13Å; E164-R167 IonicContact OE1-NH2 2.66Å; E164-R167 PolarHBondContact OE1-NH2 3.36Å; E164-R167 IonicContact OE2-NE 2.76Å; E164-R167 PolarHBondContact OE2-NE 3.16Å; G165-R167 VanDerWaalsContact C-N 3.32Å; G165-R167 PolarHBondContact O-N 2.92Å; R167-G170 PolarHBondContact O-N 2.61Å; R167-L171 WeakPolarHBondContact O-CB 3.44Å; R167-L171 PolarHBondContact O-N 3.03Å
168K96.3Very high88.1Confident104 Ų10470.8 Ų70.845%0.45236%0.356SS..Hα-helixtrans-64.5-46-179.4-75.3-177176.7-170.90111.9E164 G165 M166 G170 L171 F172E164-K168 WeakPolarHBondContact O-CG 3Å; E164-K168 PolarHBondContact O-N 3.36Å; G165-K168 PolarHBondContact O-N 2.85Å; G165-K168 VanDerWaalsContact O-N 3.12Å; M166-K168 PolarHBondContact O-N 3.45Å; K168-G170 VanDerWaalsContact C-N 3.35Å; K168-G170 PolarHBondContact O-N 3.23Å; K168-L171 PolarHBondContact O-N 3.28Å; K168-L171 VanDerWaalsContact O-N 3.16Å; K168-F172 HydrophobicContact CB-CD2 4.39Å; K168-F172 HydrophobicContact CB-CE2 4.12Å; K168-F172 WeakPolarHBondContact O-CD2 3.45Å; K168-F172 PolarHBondContact O-N 2.91Å
169Q95.1Very high89.6Confident30 Ų3068 Ų6814%0.1434%0.343CS..Hα-helixtrans-61.5-41.9177.9-69.9-174.6-2.800112P151 E159 G165 M166 L171 F172 Q173P151-Q169 HydrophobicContact CB-CB 4.25Å; P151-Q169 HydrophobicContact CG-CB 4.18Å; E159-Q169 PolarHBondContact OE2-NE2 3.43Å; G165-Q169 PolarHBondContact O-N 3.41Å; M166-Q169 PolarHBondContact O-N 3.09Å; Q169-L171 VanDerWaalsContact C-N 3.34Å; Q169-L171 PolarHBondContact O-N 3.07Å; Q169-F172 PolarHBondContact O-N 2.9Å; Q169-Q173 WeakPolarHBondContact O-CG 3.31Å; Q169-Q173 PolarHBondContact O-N 2.93Å
170G96.8Very high91.1Very high1 Ų164.2 Ų64.21%0.0133%0.327CS..Hα-helixtrans-65.7-33.8174.300000113.7M166 R167 K168 W174M166-G170 PolarHBondContact O-N 3.1Å; R167-G170 PolarHBondContact O-N 2.61Å; K168-G170 VanDerWaalsContact C-N 3.35Å; K168-G170 PolarHBondContact O-N 3.23Å; G170-W174 WeakPolarHBondContact O-CB 3.4Å; G170-W174 PolarHBondContact O-N 3.25Å
171L97.9Very high92.3Very high2 Ų269.8 Ų69.81%0.0136%0.355CS..Hα-helixtrans-71-41.3174.2177.861.3000112.5A139 L142 I147 R167 K168 Q169 W174 L175A139-L171 HydrophobicContact CB-CD2 3.96Å; A139-L171 HydrophobicContact CB-CG 4.41Å; L142-L171 HydrophobicContact CB-CD1 4.08Å; L142-L171 HydrophobicContact CB-CD2 3.88Å; L142-L171 HydrophobicContact CD1-CD1 3.79Å; L142-L171 WeakPolarHBondContact O-CD2 3.38Å; I147-L171 HydrophobicContact CD1-CD1 4.31Å; I147-L171 HydrophobicContact CG1-CD1 4.33Å; R167-L171 WeakPolarHBondContact O-CB 3.44Å; R167-L171 PolarHBondContact O-N 3.03Å; K168-L171 PolarHBondContact O-N 3.28Å; K168-L171 VanDerWaalsContact O-N 3.16Å; Q169-L171 VanDerWaalsContact C-N 3.34Å; Q169-L171 PolarHBondContact O-N 3.07Å; L171-W174 WeakPolarHBondContact O-CB 3.43Å; L171-W174 PolarHBondContact O-N 2.63Å; L171-L175 HydrophobicContact CD1-CD1 3.99Å; L171-L175 HydrophobicContact CD1-CG 4.07Å; L171-L175 HydrophobicContact CG-CD1 4Å; L171-L175 HydrophobicContact CG-CG 4.46Å; L171-L175 VanDerWaalsContact O-CG 3.32Å; L171-L175 WeakPolarHBondContact O-CG 3.44Å; L171-L175 PolarHBondContact O-N 3.07Å
172F97.1Very high93.3Very high102 Ų10266.4 Ų66.445%0.44733%0.333SS..Hα-helixtrans-64-51.1175.3-71-57.9000111.1A139 K168 Q169 W174 L175 D176A139-F172 HydrophobicContact CB-CD1 4.36Å; A139-F172 HydrophobicContact CB-CE1 3.75Å; A139-F172 HydrophobicContact CB-CZ 4.26Å; K168-F172 HydrophobicContact CB-CD2 4.39Å; K168-F172 HydrophobicContact CB-CE2 4.12Å; K168-F172 WeakPolarHBondContact O-CD2 3.45Å; K168-F172 PolarHBondContact O-N 2.91Å; Q169-F172 PolarHBondContact O-N 2.9Å; F172-W174 PolarHBondContact O-N 3.03Å; F172-W174 VanDerWaalsContact O-N 3.08Å; F172-L175 PolarHBondContact O-N 3.12Å; F172-D176 WeakPolarHBondContact O-CB 3.28Å; F172-D176 PolarHBondContact O-N 2.93Å
173Q96.7Very high93.3Very high73 Ų7363.6 Ų63.634%0.34132%0.322SS..Hα-helixtrans-53.5-34.5175.2-74.7-170.5-5.600113.2Q152 Q169 S177Q152-Q173 PolarHBondContact O-NE2 2.91Å; Q152-Q173 PolarHBondContact O-OE1 3.3Å; Q169-Q173 WeakPolarHBondContact O-CG 3.31Å; Q169-Q173 PolarHBondContact O-N 2.93Å; Q173-S177 PolarHBondContact O-OG 2.92Å
174W97.8Very high93.3Very high17 Ų1762.8 Ų62.86%0.06433%0.327CS..Hα-helixtrans-69.7-54.1174.1177.5-103.1000112.2I147 L150 G170 L171 F172 D176 S177 L178 D187 T191 L237I147-W174 HydrophobicContact CB-CB 4.38Å; I147-W174 HydrophobicContact CB-CG 4.47Å; I147-W174 HydrophobicContact CD1-CB 4.38Å; I147-W174 HydrophobicContact CD1-CD2 4.29Å; I147-W174 HydrophobicContact CD1-CG 3.88Å; I147-W174 HydrophobicContact CG1-CB 3.76Å; I147-W174 HydrophobicContact CG1-CD2 4.36Å; I147-W174 HydrophobicContact CG1-CG 3.78Å; I147-W174 HydrophobicContact CG2-CB 4.2Å; I147-W174 HydrophobicContact CG2-CD2 3.75Å; I147-W174 HydrophobicContact CG2-CE3 3.69Å; I147-W174 HydrophobicContact CG2-CG 4.01Å; I147-W174 HydrophobicContact CG2-CZ3 4.3Å; L150-W174 HydrophobicContact CD1-CB 3.87Å; L150-W174 HydrophobicContact CD1-CE3 4.04Å; G170-W174 WeakPolarHBondContact O-CB 3.4Å; G170-W174 PolarHBondContact O-N 3.25Å; L171-W174 WeakPolarHBondContact O-CB 3.43Å; L171-W174 PolarHBondContact O-N 2.63Å; F172-W174 PolarHBondContact O-N 3.03Å; F172-W174 VanDerWaalsContact O-N 3.08Å; W174-D176 VanDerWaalsContact C-N 3.33Å; W174-D176 PolarHBondContact O-N 2.93Å; W174-S177 WeakPolarHBondContact O-CA 3.41Å; W174-S177 WeakPolarHBondContact O-CB 3.19Å; W174-S177 PolarHBondContact O-N 2.79Å; W174-S177 PolarHBondContact O-OG 2.77Å; W174-L178 HydrophobicContact CZ2-CD2 4.15Å; W174-L178 PolarHBondContact O-N 2.83Å; W174-D187 HydrophobicContact CH2-CB 3.57Å; W174-D187 HydrophobicContact CZ2-CB 3.77Å; W174-T191 PolarHBondContact NE1-OG1 2.96Å; W174-L237 HydrophobicContact CH2-CD2 4.01Å; W174-L237 HydrophobicContact CZ2-CD1 4.22Å; W174-L237 HydrophobicContact CZ2-CD2 3.73Å
175L97Very high93.3Very high28 Ų2860.7 Ų60.715%0.14732%0.319CS..Hα-helixtrans-61.6-39.9-177.8-68.1173.3000112.2I137 A139 L142 L171 F172 S177 L178 T191I137-L175 HydrophobicContact CB-CD2 4.3Å; I137-L175 HydrophobicContact CG2-CD2 4.37Å; A139-L175 HydrophobicContact CB-CD1 3.85Å; L142-L175 HydrophobicContact CD1-CD2 4.21Å; L171-L175 HydrophobicContact CD1-CD1 3.99Å; L171-L175 HydrophobicContact CD1-CG 4.07Å; L171-L175 HydrophobicContact CG-CD1 4Å; L171-L175 HydrophobicContact CG-CG 4.46Å; L171-L175 VanDerWaalsContact O-CG 3.32Å; L171-L175 WeakPolarHBondContact O-CG 3.44Å; L171-L175 PolarHBondContact O-N 3.07Å; F172-L175 PolarHBondContact O-N 3.12Å; L175-S177 PolarHBondContact O-N 3.04Å; L175-L178 HydrophobicContact CD2-CD1 3.84Å; L175-L178 PolarHBondContact O-N 2.9Å; L175-L178 VanDerWaalsContact O-N 3.13Å; L175-T191 HydrophobicContact CD2-CG2 4.12Å
176D95.6Very high93.6Very high139 Ų13961.4 Ų61.474%0.74332%0.32SS*.THydrogen-bonded Turntrans-62.7-20.9175.2-63.8-25.7000112.7F172 W174F172-D176 WeakPolarHBondContact O-CB 3.28Å; F172-D176 PolarHBondContact O-N 2.93Å; W174-D176 VanDerWaalsContact C-N 3.33Å; W174-D176 PolarHBondContact O-N 2.93Å
177S95.3Very high93.8Very high81 Ų8160.4 Ų60.457%0.56632%0.317SS*.THydrogen-bonded Turntrans-95-7177.677.80000114.5Q173 W174 L175 Q179Q173-S177 PolarHBondContact O-OG 2.92Å; W174-S177 WeakPolarHBondContact O-CA 3.41Å; W174-S177 WeakPolarHBondContact O-CB 3.19Å; W174-S177 PolarHBondContact O-N 2.79Å; W174-S177 PolarHBondContact O-OG 2.77Å; L175-S177 PolarHBondContact O-N 3.04Å; S177-Q179 PolarHBondContact O-N 2.68Å
178L94.1Very high93.8Very high20 Ų2060.1 Ų60.111%0.10532%0.316CS..  trans-77.6122.3-174.6-73.9-179.5000112.9W174 L175 L180 D187 L188 T191W174-L178 HydrophobicContact CZ2-CD2 4.15Å; W174-L178 PolarHBondContact O-N 2.83Å; L175-L178 HydrophobicContact CD2-CD1 3.84Å; L175-L178 PolarHBondContact O-N 2.9Å; L175-L178 VanDerWaalsContact O-N 3.13Å; L178-L180 PolarHBondContact O-N 3.25Å; L178-D187 HydrophobicContact CD2-CB 4.17Å; L178-L188 HydrophobicContact CD1-CD1 4.4Å; L178-T191 HydrophobicContact CD1-CG2 3.8Å
179Q88Confident93.9Very high126 Ų12656.1 Ų56.159%0.58930%0.298SS*.  trans-8080.1174.3-164.2173.343.500111.3S177 D181 N182S177-Q179 PolarHBondContact O-N 2.68Å; Q179-D181 VanDerWaalsContact C-N 3.28Å; Q179-D181 PolarHBondContact O-N 2.89Å; Q179-N182 HydrophobicContact CG-CB 4.42Å; Q179-N182 PolarHBondContact O-N 3.04Å; Q179-N182 VanDerWaalsContact O-N 3.14Å
180L84.4Confident94.1Very high48 Ų4854.7 Ų54.725%0.25129%0.292SS..THydrogen-bonded Turntrans-55.4-34.8-174.1-66167.8000114.3P136 L178 N182 L188P136-L180 HydrophobicContact CB-CD1 3.74Å; L178-L180 PolarHBondContact O-N 3.25Å; L180-N182 PolarHBondContact O-N 3.41Å; L180-L188 HydrophobicContact CD2-CD1 3.9Å
181D83.7Confident94.1Very high147 Ų14754.6 Ų54.679%0.78629%0.291SS*.THydrogen-bonded Turntrans-64.2-22.1-179.2-54.9-55.1000113.2Q179 L183Q179-D181 VanDerWaalsContact C-N 3.28Å; Q179-D181 PolarHBondContact O-N 2.89Å; D181-L183 PolarHBondContact O-N 2.92Å
182N88.5Confident94.2Very high55 Ų5554.6 Ų54.629%0.29429%0.291SS..  trans-96.789.1-177-175.93.6000111.7Q179 L180 T184 S185Q179-N182 HydrophobicContact CG-CB 4.42Å; Q179-N182 PolarHBondContact O-N 3.04Å; Q179-N182 VanDerWaalsContact O-N 3.14Å; L180-N182 PolarHBondContact O-N 3.41Å; N182-T184 PolarHBondContact O-N 3.21Å; N182-T184 WeakPolarHBondContact OD1-CA 3.17Å; N182-T184 WeakPolarHBondContact OD1-CB 3.48Å; N182-T184 PolarHBondContact OD1-N 2.96Å; N182-T184 PolarHBondContact OD1-OG1 2.82Å; N182-S185 WeakPolarHBondContact O-CB 3.3Å; N182-S185 PolarHBondContact O-N 2.88Å; N182-S185 PolarHBondContact OD1-N 3.25Å
183L86.4Confident94.3Very high85 Ų8549.7 Ų49.745%0.44527%0.27SS..THydrogen-bonded Turntrans-53.3-23.7172.4-64.7160000113.9L129 D181 Q189L129-L183 HydrophobicContact CB-CD2 3.86Å; L129-L183 HydrophobicContact CD2-CD2 4.28Å; D181-L183 PolarHBondContact O-N 2.92Å; L183-Q189 PolarHBondContact O-NE2 2.92Å
184T91Very high94.4Very high107 Ų10746.2 Ų46.266%0.65625%0.254SS*.THydrogen-bonded Turntrans-88.3-3.9176.5710000114.3N182 P186N182-T184 PolarHBondContact O-N 3.21Å; N182-T184 WeakPolarHBondContact OD1-CA 3.17Å; N182-T184 WeakPolarHBondContact OD1-CB 3.48Å; N182-T184 PolarHBondContact OD1-N 2.96Å; N182-T184 PolarHBondContact OD1-OG1 2.82Å; T184-P186 WeakPolarHBondContact O-CD 3.38Å
185S95.6Very high94.4Very high14 Ų1445.8 Ų45.810%0.09825%0.253CS..  trans-62.8119.7178.5175.70000111N182 D187 L188 Q189N182-S185 WeakPolarHBondContact O-CB 3.3Å; N182-S185 PolarHBondContact O-N 2.88Å; N182-S185 PolarHBondContact OD1-N 3.25Å; S185-D187 VanDerWaalsContact C-N 3.28Å; S185-D187 PolarHBondContact O-N 2.76Å; S185-L188 PolarHBondContact O-N 3.08Å; S185-Q189 WeakPolarHBondContact O-CG 3.41Å; S185-Q189 PolarHBondContact O-N 3.02Å
186P97.3Very high94.5Very high32 Ų3244.7 Ų44.721%0.20825%0.247CC..Hα-helixtrans-63.4-33.5-178.8-23.834.7000113.3Q5 T184 Q189 L190Q5-P186 HydrophobicContact CB-CB 3.96Å; Q5-P186 HydrophobicContact CB-CG 4Å; Q5-P186 HydrophobicContact CG-CB 4.41Å; T184-P186 WeakPolarHBondContact O-CD 3.38Å; P186-Q189 WeakPolarHBondContact O-CB 3.5Å; P186-Q189 PolarHBondContact O-N 3.08Å; P186-L190 WeakPolarHBondContact O-CG 3.48Å; P186-L190 PolarHBondContact O-N 3.04Å
187D97.9Very high94.6Very high47 Ų4738.1 Ų38.125%0.25121%0.212SC..Hα-helixtrans-74.4-35.1-178.2-65.3-47.3000111.7W174 L178 S185 L190 T191 S239W174-D187 HydrophobicContact CH2-CB 3.57Å; W174-D187 HydrophobicContact CZ2-CB 3.77Å; L178-D187 HydrophobicContact CD2-CB 4.17Å; S185-D187 VanDerWaalsContact C-N 3.28Å; S185-D187 PolarHBondContact O-N 2.76Å; D187-L190 PolarHBondContact O-N 2.8Å; D187-T191 WeakPolarHBondContact O-CB 3.46Å; D187-T191 PolarHBondContact O-N 2.79Å; D187-T191 PolarHBondContact O-OG1 3.24Å; D187-S239 WeakPolarHBondContact OD1-CB 3.4Å
188L97.3Very high94.8Very high4 Ų435 Ų352%0.02119%0.188CC..Hα-helixtrans-63.5-42.7167.8-177.661.9000111L129 I137 L178 L180 S185 T191 V192L129-L188 HydrophobicContact CD2-CD2 3.86Å; L129-L188 HydrophobicContact CD2-CG 3.94Å; I137-L188 HydrophobicContact CD1-CD1 3.9Å; L178-L188 HydrophobicContact CD1-CD1 4.4Å; L180-L188 HydrophobicContact CD2-CD1 3.9Å; S185-L188 PolarHBondContact O-N 3.08Å; L188-T191 WeakPolarHBondContact O-CB 3.24Å; L188-T191 PolarHBondContact O-N 3.2Å; L188-T191 VanDerWaalsContact O-N 3.15Å; L188-V192 PolarHBondContact O-N 3Å
189Q98.1Very high95Very high20 Ų2037.4 Ų37.49%0.09320%0.199CC..Hα-helixtrans-64.2-41177.5-72.317317.100112.6V8 V125 Q126 L129 L183 S185 P186 T191 G193V8-Q189 HydrophobicContact CG2-CB 3.84Å; V125-Q189 HydrophobicContact CG1-CB 3.79Å; V125-Q189 HydrophobicContact CG1-CG 3.89Å; Q126-Q189 VanDerWaalsContact NE2-NE2 3.13Å; L129-Q189 HydrophobicContact CD1-CG 3.8Å; L183-Q189 PolarHBondContact O-NE2 2.92Å; S185-Q189 WeakPolarHBondContact O-CG 3.41Å; S185-Q189 PolarHBondContact O-N 3.02Å; P186-Q189 WeakPolarHBondContact O-CB 3.5Å; P186-Q189 PolarHBondContact O-N 3.08Å; Q189-T191 VanDerWaalsContact C-N 3.31Å; Q189-T191 PolarHBondContact O-N 3.09Å; Q189-G193 PolarHBondContact O-N 2.87Å
190L98.7Very high95.6Very high0 Ų031.4 Ų31.40%017%0.171CC..Hα-helixtrans-62-38.6170.9-69.8-175.6000111.9V8 P186 D187 G193 A194 I216 S217 L237V8-L190 HydrophobicContact CG1-CD2 4.17Å; V8-L190 HydrophobicContact CG2-CD2 4.38Å; P186-L190 WeakPolarHBondContact O-CG 3.48Å; P186-L190 PolarHBondContact O-N 3.04Å; D187-L190 PolarHBondContact O-N 2.8Å; L190-G193 CarbonylContact O-C 3.54Å; L190-G193 WeakPolarHBondContact O-CA 3.45Å; L190-G193 PolarHBondContact O-N 2.61Å; L190-A194 PolarHBondContact O-N 2.84Å; L190-I216 HydrophobicContact CD2-CG2 4.28Å; L190-S217 VanDerWaalsContact CD2-C 3.5Å; L190-L237 HydrophobicContact CB-CD1 3.82Å; L190-L237 HydrophobicContact CB-CD2 4.27Å; L190-L237 HydrophobicContact CB-CG 4.07Å; L190-L237 HydrophobicContact CD1-CD2 4.06Å; L190-L237 HydrophobicContact CD1-CG 4.47Å
191T98.7Very high96.2Very high0 Ų029.7 Ų29.70%016%0.161CC..Hα-helixtrans-67.5-45.6-179.5-53.50000111.8I137 L142 W174 L175 L178 D187 L188 Q189 G193 A194 V195I137-T191 HydrophobicContact CD1-CG2 3.81Å; I137-T191 HydrophobicContact CG2-CG2 4.35Å; L142-T191 HydrophobicContact CD1-CG2 3.75Å; W174-T191 PolarHBondContact NE1-OG1 2.96Å; L175-T191 HydrophobicContact CD2-CG2 4.12Å; L178-T191 HydrophobicContact CD1-CG2 3.8Å; D187-T191 WeakPolarHBondContact O-CB 3.46Å; D187-T191 PolarHBondContact O-N 2.79Å; D187-T191 PolarHBondContact O-OG1 3.24Å; L188-T191 WeakPolarHBondContact O-CB 3.24Å; L188-T191 PolarHBondContact O-N 3.2Å; L188-T191 VanDerWaalsContact O-N 3.15Å; Q189-T191 VanDerWaalsContact C-N 3.31Å; Q189-T191 PolarHBondContact O-N 3.09Å; T191-G193 VanDerWaalsContact C-N 3.26Å; T191-G193 PolarHBondContact O-N 3.28Å; T191-A194 WeakPolarHBondContact O-CB 3.44Å; T191-A194 PolarHBondContact O-N 3.49Å; T191-A194 VanDerWaalsContact O-N 3.09Å; T191-V195 PolarHBondContact O-N 2.78Å; T191-V195 VanDerWaalsContact O-N 3.08Å
192V98.5Very high97Very high1 Ų125.5 Ų25.51%0.00615%0.147CC..Hα-helixtrans-62.7-36.1171.9173.60000111.2V125 R128 L129 L132 I137 L188 A194 V195 I196V125-V192 HydrophobicContact CB-CG1 4.38Å; V125-V192 HydrophobicContact CG1-CB 4.18Å; V125-V192 HydrophobicContact CG1-CG1 4.13Å; V125-V192 HydrophobicContact CG2-CG1 4.27Å; R128-V192 HydrophobicContact CB-CG1 3.61Å; R128-V192 HydrophobicContact CG-CG1 3.49Å; R128-V192 VanDerWaalsContact CG-CG1 3.49Å; L129-V192 HydrophobicContact CD2-CG2 3.74Å; L129-V192 HydrophobicContact CG-CG2 4.13Å; L132-V192 HydrophobicContact CD1-CG2 3.96Å; I137-V192 HydrophobicContact CD1-CG2 3.65Å; L188-V192 PolarHBondContact O-N 3Å; V192-A194 VanDerWaalsContact C-N 3.34Å; V192-A194 PolarHBondContact O-N 2.7Å; V192-V195 PolarHBondContact O-N 2.6Å; V192-I196 HydrophobicContact CG1-CD1 4.2Å; V192-I196 WeakPolarHBondContact O-CG1 3.33Å; V192-I196 PolarHBondContact O-N 3.03Å; V192-I196 VanDerWaalsContact O-N 3.16Å
193G98.8Very high97.5Very high0 Ų023.4 Ų23.40%014%0.137CC..Hα-helixtrans-58.3-43.717000000112.7Q189 L190 T191 I196 V197Q189-G193 PolarHBondContact O-N 2.87Å; L190-G193 CarbonylContact O-C 3.54Å; L190-G193 WeakPolarHBondContact O-CA 3.45Å; L190-G193 PolarHBondContact O-N 2.61Å; T191-G193 VanDerWaalsContact C-N 3.26Å; T191-G193 PolarHBondContact O-N 3.28Å; G193-I196 PolarHBondContact O-N 2.84Å; G193-V197 VanDerWaalsContact O-CG2 3.31Å; G193-V197 WeakPolarHBondContact O-CG2 3.18Å; G193-V197 PolarHBondContact O-N 2.91Å
194A98.9Very high98.1Very high0 Ų019.3 Ų19.30%012%0.116CC..Hα-helixtrans-63.4-40.5176.900000112.5L142 T145 L190 T191 V192 I196 V197 E198 I216 Q235 L237L142-A194 HydrophobicContact CD2-CB 3.65Å; T145-A194 HydrophobicContact CG2-CB 4.36Å; L190-A194 PolarHBondContact O-N 2.84Å; T191-A194 WeakPolarHBondContact O-CB 3.44Å; T191-A194 PolarHBondContact O-N 3.49Å; T191-A194 VanDerWaalsContact O-N 3.09Å; V192-A194 VanDerWaalsContact C-N 3.34Å; V192-A194 PolarHBondContact O-N 2.7Å; A194-I196 PolarHBondContact O-N 3.21Å; A194-V197 PolarHBondContact O-N 3.3Å; A194-V197 VanDerWaalsContact O-N 3.09Å; A194-E198 PolarHBondContact O-N 2.94Å; A194-I216 HydrophobicContact CB-CD1 4.27Å; A194-I216 HydrophobicContact CB-CG1 4.43Å; A194-Q235 PolarHBondContact O-NE2 3.28Å; A194-L237 HydrophobicContact CB-CD1 4.27Å
195V98.8Very high98.4Very high8 Ų817.8 Ų17.85%0.04810%0.101CC..Hα-helixtrans-58.4-46.6173.7177.10000111.1I137 L141 L142 T191 V192 V197 E198 E199I137-V195 HydrophobicContact CG2-CG2 3.91Å; L141-V195 HydrophobicContact CB-CG1 4.17Å; L141-V195 HydrophobicContact CB-CG2 4.01Å; L142-V195 HydrophobicContact CD1-CG2 4.48Å; L142-V195 HydrophobicContact CD2-CB 4.48Å; L142-V195 HydrophobicContact CD2-CG2 3.71Å; L142-V195 HydrophobicContact CG-CG2 3.98Å; T191-V195 PolarHBondContact O-N 2.78Å; T191-V195 VanDerWaalsContact O-N 3.08Å; V192-V195 PolarHBondContact O-N 2.6Å; V195-V197 PolarHBondContact O-N 3.18Å; V195-E198 PolarHBondContact O-N 3.12Å; V195-E199 PolarHBondContact O-N 2.89Å; V195-E199 VanDerWaalsContact O-N 3.11Å
196I98.8Very high98.6Very high5 Ų526.2 Ų26.23%0.02613%0.131CC..Hα-helixtrans-63.2-29.7177.6-62.5163.4000111.4F106 L121 A124 V125 R128 V192 G193 A194 M200F106-I196 HydrophobicContact CD1-CG2 4.21Å; L121-I196 HydrophobicContact CD2-CG2 3.99Å; A124-I196 HydrophobicContact CB-CD1 4.15Å; V125-I196 HydrophobicContact CG2-CD1 4.04Å; R128-I196 HydrophobicContact CB-CD1 4.2Å; V192-I196 HydrophobicContact CG1-CD1 4.2Å; V192-I196 WeakPolarHBondContact O-CG1 3.33Å; V192-I196 PolarHBondContact O-N 3.03Å; V192-I196 VanDerWaalsContact O-N 3.16Å; G193-I196 PolarHBondContact O-N 2.84Å; A194-I196 PolarHBondContact O-N 3.21Å; I196-M200 WeakPolarHBondContact O-CB 3.21Å; I196-M200 PolarHBondContact O-N 3.21Å
197V98.9Very high98.6Very high0 Ų028.1 Ų28.10%014%0.137CC..Hα-helixtrans-79.4-31.1176.3-179.50000112.6A10 L121 G193 A194 V195 M200 R201 A214 I216A10-V197 HydrophobicContact CB-CG2 3.75Å; L121-V197 HydrophobicContact CD1-CG2 3.52Å; G193-V197 VanDerWaalsContact O-CG2 3.31Å; G193-V197 WeakPolarHBondContact O-CG2 3.18Å; G193-V197 PolarHBondContact O-N 2.91Å; A194-V197 PolarHBondContact O-N 3.3Å; A194-V197 VanDerWaalsContact O-N 3.09Å; V195-V197 PolarHBondContact O-N 3.18Å; V197-M200 PolarHBondContact O-N 2.91Å; V197-R201 HydrophobicContact CG1-CG 4.25Å; V197-R201 WeakPolarHBondContact O-CB 3.45Å; V197-R201 VanDerWaalsContact O-CG 3.24Å; V197-R201 WeakPolarHBondContact O-CG 3.49Å; V197-R201 PolarHBondContact O-N 3.14Å; V197-A214 HydrophobicContact CG1-CB 3.4Å; V197-I216 HydrophobicContact CB-CD1 4.31Å; V197-I216 HydrophobicContact CB-CG1 4.27Å; V197-I216 HydrophobicContact CG1-CD1 4.25Å; V197-I216 HydrophobicContact CG1-CG1 4.49Å; V197-I216 HydrophobicContact CG2-CG1 3.96Å
198E98.9Very high98.7Very high17 Ų1726.2 Ų26.28%0.07913%0.127CC..Hα-helixtrans-62.2-45.9169-62.6-79.1-160.500109.8L142 S144 T145 A194 V195 M200 R201 A202L142-E198 VanDerWaalsContact C-OE1 3.32Å; L142-E198 HydrophobicContact CD2-CG 4.38Å; S144-E198 WeakPolarHBondContact CA-OE1 3.4Å; S144-E198 PolarHBondContact N-OE1 3.34Å; S144-E198 PolarHBondContact OG-OE1 3Å; S144-E198 PolarHBondContact OG-OE2 3.42Å; T145-E198 PolarHBondContact N-OE1 2.82Å; T145-E198 PolarHBondContact OG1-OE1 3.37Å; A194-E198 PolarHBondContact O-N 2.94Å; V195-E198 PolarHBondContact O-N 3.12Å; E198-M200 PolarHBondContact O-N 2.6Å; E198-R201 PolarHBondContact O-N 3.26Å; E198-R201 IonicContact OE2-CZ 3.35Å; E198-R201 IonicContact OE2-NH1 3.13Å; E198-R201 PolarHBondContact OE2-NH1 2.88Å; E198-A202 VanDerWaalsContact O-CB 3.3Å; E198-A202 WeakPolarHBondContact O-CB 3.46Å; E198-A202 PolarHBondContact O-N 3.19Å
199E98.9Very high98.7Very high69 Ų6928.4 Ų28.432%0.32215%0.15SC..Hα-helixtrans-58.7-45.3174.8-68.7169.4-165.300112.3F106 R128 V195 A202 A203F106-E199 HydrophobicContact CE1-CB 4.1Å; R128-E199 IonicContact CZ-OE1 2.63Å; R128-E199 VanDerWaalsContact CZ-OE1 3.29Å; R128-E199 IonicContact CZ-OE2 2.78Å; R128-E199 IonicContact NH1-OE1 2.72Å; R128-E199 PolarHBondContact NH1-OE1 2.68Å; R128-E199 IonicContact NH1-OE2 2.68Å; R128-E199 VanDerWaalsContact NH2-CD 3.29Å; R128-E199 IonicContact NH2-OE1 3.45Å; R128-E199 PolarHBondContact NH2-OE1 2.81Å; R128-E199 IonicContact NH2-OE2 2.82Å; R128-E199 PolarHBondContact NH2-OE2 2.89Å; V195-E199 PolarHBondContact O-N 2.89Å; V195-E199 VanDerWaalsContact O-N 3.11Å; E199-A202 PolarHBondContact O-N 3.12Å; E199-A203 WeakPolarHBondContact O-CB 3.46Å; E199-A203 PolarHBondContact O-N 2.59Å
200M98.8Very high98.8Very high0 Ų027.4 Ų27.40%015%0.146CC..Hα-helixtrans-62.8-44.1177.7-171.1-169.1-51.500111.9V12 M103 F106 I119 L121 I196 V197 E198 A203 I204V12-M200 HydrophobicContact CG2-SD 3.99Å; M103-M200 HydrophobicContact CB-SD 4.21Å; M103-M200 HydrophobicContact CG-CG 4.26Å; M103-M200 HydrophobicContact CG-SD 3.81Å; M103-M200 HydrophobicContact SD-SD 4.43Å; F106-M200 HydrophobicContact CB-CE 3.9Å; F106-M200 HydrophobicContact CD1-CB 4.3Å; F106-M200 HydrophobicContact CD2-CB 4.17Å; F106-M200 HydrophobicContact CD2-CG 3.77Å; F106-M200 HydrophobicContact CE1-CB 4.21Å; F106-M200 HydrophobicContact CE2-CB 4.08Å; F106-M200 HydrophobicContact CE2-CG 3.94Å; F106-M200 HydrophobicContact CG-CB 4.28Å; F106-M200 HydrophobicContact CG-CE 4.18Å; F106-M200 HydrophobicContact CG-CG 4.18Å; F106-M200 HydrophobicContact CZ-CB 4.11Å; F106-M200 HydrophobicContact CZ-CG 4.47Å; I119-M200 HydrophobicContact CD1-CE 4.45Å; I119-M200 HydrophobicContact CD1-SD 4.16Å; I119-M200 HydrophobicContact CG1-CE 4.21Å; I119-M200 HydrophobicContact CG1-SD 4.26Å; I119-M200 HydrophobicContact CG2-CE 4.24Å; L121-M200 HydrophobicContact CD2-CE 4.17Å; I196-M200 WeakPolarHBondContact O-CB 3.21Å; I196-M200 PolarHBondContact O-N 3.21Å; V197-M200 PolarHBondContact O-N 2.91Å; E198-M200 PolarHBondContact O-N 2.6Å; M200-A203 PolarHBondContact O-N 2.84Å; M200-I204 HydrophobicContact CG-CD1 4.3Å; M200-I204 VanDerWaalsContact O-CG1 3.28Å; M200-I204 WeakPolarHBondContact O-CG1 3.5Å; M200-I204 PolarHBondContact O-N 2.63Å
201R98.9Very high98.8Very high12 Ų1230.9 Ų30.95%0.04516%0.162CC..Hα-helixtrans-68.2-41.7178.9-73.1179.443.1-100.8-7.7111.8S144 V197 E198 A203 I204 E205 C212 N233S144-R201 PolarHBondContact OG-NH1 2.94Å; S144-R201 PolarHBondContact OG-NH2 3.18Å; V197-R201 HydrophobicContact CG1-CG 4.25Å; V197-R201 WeakPolarHBondContact O-CB 3.45Å; V197-R201 VanDerWaalsContact O-CG 3.24Å; V197-R201 WeakPolarHBondContact O-CG 3.49Å; V197-R201 PolarHBondContact O-N 3.14Å; E198-R201 PolarHBondContact O-N 3.26Å; E198-R201 IonicContact OE2-CZ 3.35Å; E198-R201 IonicContact OE2-NH1 3.13Å; E198-R201 PolarHBondContact OE2-NH1 2.88Å; R201-A203 VanDerWaalsContact C-N 3.32Å; R201-A203 PolarHBondContact O-N 2.98Å; R201-I204 PolarHBondContact O-N 3.31Å; R201-E205 PolarHBondContact O-N 3.09Å; R201-C212 PolarHBondContact NE-O 3.11Å; R201-C212 PolarHBondContact NH2-O 3.16Å; R201-N233 PolarHBondContact NH2-OD1 3.08Å
202A98.9Very high98.8Very high59 Ų5931 Ų3149%0.48816%0.162SC..Hα-helixtrans-61.5-39.6173.200000111.9E198 E199 R206E198-A202 VanDerWaalsContact O-CB 3.3Å; E198-A202 WeakPolarHBondContact O-CB 3.46Å; E198-A202 PolarHBondContact O-N 3.19Å; E199-A202 PolarHBondContact O-N 3.12Å; A202-R206 WeakPolarHBondContact O-CB 3.38Å; A202-R206 PolarHBondContact O-N 3.26Å
203A98.9Very high98.8Very high11 Ų1130.9 Ų30.99%0.09116%0.162CC..Hα-helixtrans-64.1-43.517400000112.3I102 F106 E199 M200 R201 E207I102-A203 HydrophobicContact CG2-CB 4.18Å; F106-A203 HydrophobicContact CE2-CB 4.14Å; F106-A203 HydrophobicContact CZ-CB 4Å; E199-A203 WeakPolarHBondContact O-CB 3.46Å; E199-A203 PolarHBondContact O-N 2.59Å; M200-A203 PolarHBondContact O-N 2.84Å; R201-A203 VanDerWaalsContact C-N 3.32Å; R201-A203 PolarHBondContact O-N 2.98Å; A203-E207 VanDerWaalsContact O-CB 3.32Å; A203-E207 WeakPolarHBondContact O-CB 3.39Å; A203-E207 WeakPolarHBondContact O-CG 3.3Å; A203-E207 PolarHBondContact O-N 2.85Å
204I98.8Very high98.8Very high0 Ų030.9 Ų30.90%016%0.162CC..Hα-helixtrans-60.1-50.8175.4-65.8161.7000110.7V12 M14 V99 I102 M103 M200 R201 E207 T208V12-I204 HydrophobicContact CG1-CD1 4.2Å; M14-I204 HydrophobicContact CE-CG2 3.72Å; M14-I204 HydrophobicContact SD-CG2 4.21Å; V99-I204 HydrophobicContact CG1-CD1 4.11Å; V99-I204 HydrophobicContact CG1-CG1 4.28Å; V99-I204 HydrophobicContact CG1-CG2 4.09Å; V99-I204 HydrophobicContact CG2-CG2 4.21Å; I102-I204 HydrophobicContact CB-CG1 4.36Å; I102-I204 HydrophobicContact CG2-CB 4.47Å; I102-I204 HydrophobicContact CG2-CG1 3.57Å; M103-I204 HydrophobicContact CG-CD1 3.82Å; M103-I204 HydrophobicContact SD-CD1 4.31Å; M200-I204 HydrophobicContact CG-CD1 4.3Å; M200-I204 VanDerWaalsContact O-CG1 3.28Å; M200-I204 WeakPolarHBondContact O-CG1 3.5Å; M200-I204 PolarHBondContact O-N 2.63Å; R201-I204 PolarHBondContact O-N 3.31Å; I204-E207 PolarHBondContact O-N 3.15Å; I204-T208 WeakPolarHBondContact O-CB 3.4Å; I204-T208 PolarHBondContact O-N 3.18Å; I204-T208 PolarHBondContact O-OG1 3.41Å
205E98.8Very high98.8Very high74 Ų7430.9 Ų30.935%0.34616%0.162SC..Hα-helixtrans-64.1-44-178.7-176.7167.5-167.200111.6R201 E207 G209 F210 Q211R201-E205 PolarHBondContact O-N 3.09Å; E205-E207 PolarHBondContact O-N 3.35Å; E205-G209 WeakPolarHBondContact O-CA 3.22Å; E205-G209 PolarHBondContact O-N 3.17Å; E205-F210 WeakPolarHBondContact CA-O 3.04Å; E205-Q211 VanDerWaalsContact CD-CG 3.42Å; E205-Q211 HydrophobicContact CG-CG 4.18Å; E205-Q211 WeakPolarHBondContact OE1-CG 3.24Å; E205-Q211 PolarHBondContact OE1-NE2 2.98Å
206R98.8Very high98.8Very high192 Ų19230.5 Ų30.573%0.72516%0.16SC*.Hα-helixtrans-62.8-39.2179.2-175.4-171.272.699.60.1113.6A202A202-R206 WeakPolarHBondContact O-CB 3.38Å; A202-R206 PolarHBondContact O-N 3.26Å
207E98.7Very high98.8Very high72 Ų7230.3 Ų30.334%0.33616%0.159SC..Hα-helixtrans-95.7-26.8-171.9-67.1169.4-127.600113.3I102 R105 A203 I204 E205I102-E207 HydrophobicContact CD1-CB 3.74Å; R105-E207 IonicContact CZ-OE1 3.32Å; R105-E207 IonicContact CZ-OE2 3.62Å; R105-E207 IonicContact NH1-OE1 3.1Å; R105-E207 IonicContact NH1-OE2 3.41Å; R105-E207 PolarHBondContact NH1-OE2 2.7Å; R105-E207 VanDerWaalsContact NH2-CD 3.31Å; R105-E207 IonicContact NH2-OE1 2.81Å; R105-E207 PolarHBondContact NH2-OE1 3.26Å; R105-E207 IonicContact NH2-OE2 2.82Å; R105-E207 PolarHBondContact NH2-OE2 3.36Å; R105-E207 VanDerWaalsContact NH2-OE2 3.13Å; A203-E207 VanDerWaalsContact O-CB 3.32Å; A203-E207 WeakPolarHBondContact O-CB 3.39Å; A203-E207 WeakPolarHBondContact O-CG 3.3Å; A203-E207 PolarHBondContact O-N 2.85Å; I204-E207 PolarHBondContact O-N 3.15Å; E205-E207 PolarHBondContact O-N 3.35Å
208T98.4Very high98.8Very high7 Ų730.3 Ų30.34%0.04316%0.159CC..Hα-helixtrans-110.4-19-18070.60000114R24 E98 V99 I102 I204 F210R24-T208 WeakPolarHBondContact CD-O 3.39Å; R24-T208 PolarHBondContact NH1-O 3.01Å; E98-T208 HydrophobicContact CB-CG2 4.1Å; V99-T208 HydrophobicContact CG2-CG2 4.25Å; I102-T208 HydrophobicContact CD1-CG2 3.46Å; I102-T208 VanDerWaalsContact CD1-CG2 3.46Å; I204-T208 WeakPolarHBondContact O-CB 3.4Å; I204-T208 PolarHBondContact O-N 3.18Å; I204-T208 PolarHBondContact O-OG1 3.41Å; T208-F210 VanDerWaalsContact C-N 3.26Å; T208-F210 HydrophobicContact CG2-CD2 4.36Å; T208-F210 WeakPolarHBondContact OG1-CB 3.34Å; T208-F210 VanDerWaalsContact OG1-CD2 3.26Å; T208-F210 WeakPolarHBondContact OG1-CD2 3.37Å; T208-F210 WeakPolarHBondContact OG1-CG 3Å; T208-F210 PolarHBondContact OG1-N 2.78Å; T208-F210 VanDerWaalsContact OG1-N 3.15Å
209G98.4Very high98.8Very high49 Ų4929.5 Ų29.551%0.50516%0.155SC..SBendtrans71.117.5-168.700000114.1E205E205-G209 WeakPolarHBondContact O-CA 3.22Å; E205-G209 PolarHBondContact O-N 3.17Å
210F98.8Very high98.8Very high0 Ų026.3 Ų26.30%014%0.14CC..  trans-109.8127.7178.1-55-42.1000112.3M14 F17 Q20 V21 R24 A95 V99 E205 T208M14-F210 HydrophobicContact CE-CB 3.33Å; M14-F210 HydrophobicContact CE-CD2 4.39Å; M14-F210 HydrophobicContact CE-CG 4.27Å; F17-F210 HydrophobicContact CE2-CD2 4.32Å; F17-F210 HydrophobicContact CE2-CE2 4.26Å; Q20-F210 HydrophobicContact CB-CD1 3.92Å; Q20-F210 HydrophobicContact CB-CE1 4.42Å; V21-F210 HydrophobicContact CB-CE1 4.49Å; V21-F210 HydrophobicContact CB-CZ 4.41Å; V21-F210 HydrophobicContact CG2-CE1 4.08Å; V21-F210 HydrophobicContact CG2-CE2 4.42Å; V21-F210 HydrophobicContact CG2-CZ 3.75Å; R24-F210 HydrophobicContact CB-CE1 3.82Å; R24-F210 HydrophobicContact CG-CE1 4.32Å; A95-F210 HydrophobicContact CB-CE2 3.88Å; A95-F210 HydrophobicContact CB-CZ 3.99Å; V99-F210 HydrophobicContact CG2-CD2 4Å; E205-F210 WeakPolarHBondContact CA-O 3.04Å; T208-F210 VanDerWaalsContact C-N 3.26Å; T208-F210 HydrophobicContact CG2-CD2 4.36Å; T208-F210 WeakPolarHBondContact OG1-CB 3.34Å; T208-F210 VanDerWaalsContact OG1-CD2 3.26Å; T208-F210 WeakPolarHBondContact OG1-CD2 3.37Å; T208-F210 WeakPolarHBondContact OG1-CG 3Å; T208-F210 PolarHBondContact OG1-N 2.78Å; T208-F210 VanDerWaalsContact OG1-N 3.15Å
211Q98.8Very high98.7Very high72 Ų7226.5 Ų26.534%0.33614%0.141SC..  trans-80.7151.3171.1-71.5179.9100112.2D15 Q20 E205 N233D15-Q211 PolarHBondContact N-O 3.35Å; D15-Q211 VanDerWaalsContact N-O 3.16Å; Q20-Q211 PolarHBondContact NE2-O 2.87Å; E205-Q211 VanDerWaalsContact CD-CG 3.42Å; E205-Q211 HydrophobicContact CG-CG 4.18Å; E205-Q211 WeakPolarHBondContact OE1-CG 3.24Å; E205-Q211 PolarHBondContact OE1-NE2 2.98Å; Q211-N233 HydrophobicContact CB-CB 4.15Å; Q211-N233 HydrophobicContact CG-CB 4.46Å; Q211-N233 WeakPolarHBondContact CG-ND2 3.4Å; Q211-N233 PolarHBondContact NE2-ND2 3.28Å; Q211-N233 PolarHBondContact OE1-ND2 2.93Å; Q211-N233 VanDerWaalsContact OE1-ND2 3.15Å
212C98.8Very high98.7Very high2 Ų226 Ų261%0.01414%0.139CC..EExtended strand (participates in β ladder)trans-150.4161.3176.756.10000112.3V12 M14 R201 N233V12-C212 HydrophobicContact CG1-CB 4.12Å; M14-C212 HydrophobicContact CE-CB 3.82Å; M14-C212 HydrophobicContact SD-CB 3.46Å; M14-C212 WeakPolarHBondContact SD-CB 3.37Å; R201-C212 PolarHBondContact NE-O 3.11Å; R201-C212 PolarHBondContact NH2-O 3.16Å; C212-N233 PolarHBondContact O-OD1 2.74Å
213S98.9Very high98.7Very high0 Ų023.2 Ų23.20%012%0.116CC..EExtended strand (participates in β ladder)trans-112.7155.3173.9-98.30000109.9D13 D15 C227 K231 N233 R234D13-S213 PolarHBondContact N-O 2.93Å; D13-S213 PolarHBondContact O-N 3.14Å; D13-S213 VanDerWaalsContact O-N 3.1Å; D15-S213 PolarHBondContact OD2-N 3.5Å; D15-S213 PolarHBondContact OD2-OG 3.46Å; S213-C227 PolarHBondContact O-SG 3.47Å; S213-C227 VanDerWaalsContact O-SG 3.41Å; S213-K231 WeakPolarHBondContact OG-CG 3.27Å; S213-N233 PolarHBondContact OG-N 3.19Å; S213-R234 WeakPolarHBondContact CA-O 3.48Å; S213-R234 WeakPolarHBondContact CB-O 3.48Å; S213-R234 PolarHBondContact OG-N 3.21Å; S213-R234 VanDerWaalsContact OG-N 3.13Å; S213-R234 PolarHBondContact OG-O 2.81Å
214A98.9Very high98.7Very high0 Ų025.3 Ų25.30%012%0.123CC..EExtended strand (participates in β ladder)trans-138.6160.717900000113.1L11 V12 V197 R234 Q235 T236L11-A214 CarbonylContact O-C 3.59Å; L11-A214 WeakPolarHBondContact O-CA 3.18Å; L11-A214 WeakPolarHBondContact O-CB 3.4Å; V12-A214 HydrophobicContact CG2-CB 4.02Å; V197-A214 HydrophobicContact CG1-CB 3.4Å; A214-R234 PolarHBondContact N-O 2.89Å; A214-Q235 HydrophobicContact CB-CB 3.99Å; A214-Q235 CarbonylContact O-C 3.53Å; A214-Q235 WeakPolarHBondContact O-CA 3.45Å; A214-Q235 WeakPolarHBondContact O-CB 3.46Å; A214-T236 PolarHBondContact O-N 3.33Å
215G98.9Very high98.7Very high0 Ų026.4 Ų26.40%013%0.129CC..EExtended strand (participates in β ladder)trans-130.9134.7171.100000110.3A10 L11 A223 T236A10-G215 CarbonylContact C-O 3.49Å; A10-G215 VanDerWaalsContact CA-O 3.28Å; A10-G215 WeakPolarHBondContact CA-O 3.43Å; L11-G215 PolarHBondContact N-O 3.33Å; L11-G215 PolarHBondContact O-N 2.93Å; G215-A223 WeakPolarHBondContact CA-O 3.4Å; G215-T236 WeakPolarHBondContact CA-O 3.21Å
216I98.9Very high98.7Very high0 Ų022.9 Ų22.90%011%0.113CC..EExtended strand (participates in β ladder)trans-120.4124.8-176.1-54.491.6000108.4V8 L190 A194 V197 Q235 T236 L237 V238V8-I216 HydrophobicContact CG1-CG2 4.17Å; L190-I216 HydrophobicContact CD2-CG2 4.28Å; A194-I216 HydrophobicContact CB-CD1 4.27Å; A194-I216 HydrophobicContact CB-CG1 4.43Å; V197-I216 HydrophobicContact CB-CD1 4.31Å; V197-I216 HydrophobicContact CB-CG1 4.27Å; V197-I216 HydrophobicContact CG1-CD1 4.25Å; V197-I216 HydrophobicContact CG1-CG1 4.49Å; V197-I216 HydrophobicContact CG2-CG1 3.96Å; I216-Q235 HydrophobicContact CD1-CB 3.99Å; I216-Q235 HydrophobicContact CD1-CG 4.21Å; I216-T236 PolarHBondContact N-O 3.13Å; I216-L237 WeakPolarHBondContact O-CA 3.27Å; I216-V238 PolarHBondContact O-N 3.34Å
217S98.8Very high98.7Very high0 Ų013.9 Ų13.90%08%0.079CC..EExtended strand (participates in β ladder)trans-163.1-171.2176.8-165.50000110V9 L190 L222 V238V9-S217 CarbonylContact C-O 3.42Å; V9-S217 WeakPolarHBondContact CA-O 3.25Å; V9-S217 PolarHBondContact N-O 2.85Å; V9-S217 PolarHBondContact O-N 3.11Å; L190-S217 VanDerWaalsContact CD2-C 3.5Å; S217-L222 VanDerWaalsContact OG-CB 3.24Å; S217-L222 WeakPolarHBondContact OG-CB 3.45Å; S217-L222 WeakPolarHBondContact OG-CD1 3.4Å; S217-V238 VanDerWaalsContact CB-O 3.31Å; S217-V238 WeakPolarHBondContact CB-O 3.22Å; S217-V238 PolarHBondContact OG-O 3.37Å
218H98.7Very high98.6Very high1 Ų112.9 Ų12.91%0.0059%0.088CC..SBendtrans-82.7-10.9-177.4-58.9-65.1000114.9G4 R7G4-H218 WeakPolarHBondContact O-CB 3.24Å; R7-H218 WeakPolarHBondContact O-CA 3.5Å; R7-H218 PolarHBondContact O-ND1 3.32Å
219N98.6Very high98.6Very high0 Ų015.2 Ų15.20%010%0.1CC..SBendtrans-152.1169.2-178.164.372.4000114V221 L222 A223 G304 E306N219-V221 VanDerWaalsContact C-N 3.31Å; N219-V221 PolarHBondContact O-N 2.86Å; N219-V221 PolarHBondContact OD1-N 2.91Å; N219-V221 VanDerWaalsContact OD1-N 3.15Å; N219-L222 PolarHBondContact OD1-N 3.43Å; N219-A223 VanDerWaalsContact O-CB 3.22Å; N219-A223 WeakPolarHBondContact O-CB 3.5Å; N219-A223 PolarHBondContact O-N 3.43Å; N219-G304 PolarHBondContact ND2-O 3.39Å; N219-E306 HydrophobicContact CB-CB 3.93Å; N219-E306 WeakPolarHBondContact CB-O 3.15Å
220K98.6Very high98.6Very high1 Ų113.8 Ų13.80%0.0048%0.081CC..Hα-helixtrans-72-17.9-171.4-66.3-166.5-52-166.90114.6V9 E110 Y118 K224 D308 P309 V310V9-K220 HydrophobicContact CG1-CG 3.78Å; E110-K220 IonicContact OE2-NZ 3.6Å; E110-K220 PolarHBondContact OE2-NZ 3.05Å; Y118-K220 HydrophobicContact CD1-CB 3.8Å; Y118-K220 HydrophobicContact CD1-CD 3.92Å; Y118-K220 HydrophobicContact CD1-CG 3.6Å; Y118-K220 HydrophobicContact CD2-CD 3.98Å; Y118-K220 HydrophobicContact CE1-CB 3.48Å; Y118-K220 VanDerWaalsContact CE1-CB 3.48Å; Y118-K220 HydrophobicContact CE1-CD 4.34Å; Y118-K220 HydrophobicContact CE1-CG 3.86Å; Y118-K220 WeakPolarHBondContact CE1-O 3.37Å; Y118-K220 HydrophobicContact CE2-CB 4.48Å; Y118-K220 HydrophobicContact CE2-CD 4.4Å; Y118-K220 HydrophobicContact CG-CB 4.39Å; Y118-K220 HydrophobicContact CG-CD 3.69Å; Y118-K220 HydrophobicContact CG-CG 3.92Å; Y118-K220 VanDerWaalsContact CZ-O 3.29Å; Y118-K220 PolarHBondContact OH-O 3.47Å; K220-K224 WeakPolarHBondContact O-CB 3.3Å; K220-K224 PolarHBondContact O-N 2.82Å; K220-D308 VanDerWaalsContact CE-O 3.25Å; K220-D308 WeakPolarHBondContact CE-O 3.37Å; K220-D308 VanDerWaalsContact CE-OD2 3.27Å; K220-D308 WeakPolarHBondContact CE-OD2 3.28Å; K220-D308 IonicContact NZ-OD2 2.77Å; K220-D308 PolarHBondContact NZ-OD2 2.98Å; K220-P309 PolarHBondContact NZ-O 3.09Å; K220-V310 HydrophobicContact CD-CG2 3.95Å; K220-V310 HydrophobicContact CG-CG2 4.21Å
221V98.4Very high98.6Very high5 Ų516 Ų163%0.039%0.09CC..Hα-helixtrans-83.7-49.3176.1-177.90000109.9N219 K224 L225 I255 R256 W297 M301 E306N219-V221 VanDerWaalsContact C-N 3.31Å; N219-V221 PolarHBondContact O-N 2.86Å; N219-V221 PolarHBondContact OD1-N 2.91Å; N219-V221 VanDerWaalsContact OD1-N 3.15Å; V221-K224 PolarHBondContact O-N 2.82Å; V221-L225 PolarHBondContact O-N 2.95Å; V221-I255 HydrophobicContact CG1-CG2 3.77Å; V221-R256 HydrophobicContact CG1-CB 4.39Å; V221-W297 HydrophobicContact CG2-CZ2 4.35Å; V221-M301 HydrophobicContact CB-CE 3.87Å; V221-M301 HydrophobicContact CB-SD 3.47Å; V221-M301 WeakPolarHBondContact CB-SD 3.35Å; V221-M301 HydrophobicContact CG1-CE 3.89Å; V221-M301 HydrophobicContact CG1-CG 4.49Å; V221-M301 HydrophobicContact CG1-SD 3.53Å; V221-M301 VanDerWaalsContact CG1-SD 3.53Å; V221-M301 HydrophobicContact CG2-SD 3.65Å; V221-E306 HydrophobicContact CG2-CG 4.08Å
222L98.6Very high98.5Very high1 Ų115.2 Ų15.21%0.0059%0.091CC..Hα-helixtrans-63.1-43.4175.8-65.8-176.7000112S217 N219 K224 L225 A226 V238 V243 F247 M301 G304S217-L222 VanDerWaalsContact OG-CB 3.24Å; S217-L222 WeakPolarHBondContact OG-CB 3.45Å; S217-L222 WeakPolarHBondContact OG-CD1 3.4Å; N219-L222 PolarHBondContact OD1-N 3.43Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 2.72Å; L222-L225 PolarHBondContact O-N 3.41Å; L222-L225 VanDerWaalsContact O-N 3.15Å; L222-A226 VanDerWaalsContact O-CB 3.3Å; L222-A226 WeakPolarHBondContact O-CB 3.2Å; L222-A226 PolarHBondContact O-N 3.33Å; L222-V238 HydrophobicContact CB-CG1 4.46Å; L222-V238 HydrophobicContact CD1-CG1 4.48Å; L222-V238 HydrophobicContact CD2-CG1 4.44Å; L222-V243 HydrophobicContact CD1-CG2 3.82Å; L222-V243 HydrophobicContact CD2-CG2 4.28Å; L222-F247 HydrophobicContact CD2-CE1 4.06Å; L222-F247 HydrophobicContact CD2-CE2 4.4Å; L222-F247 HydrophobicContact CD2-CZ 3.54Å; L222-M301 HydrophobicContact CD2-CE 4.2Å; L222-M301 HydrophobicContact CG-CE 4.22Å; L222-G304 WeakPolarHBondContact CD1-O 3.36Å
223A98.8Very high98.5Very high0 Ų016.4 Ų16.40%010%0.098CC..Hα-helixtrans-59.6-39.6176.800000112.7V9 L11 G215 N219 C227V9-A223 HydrophobicContact CG1-CB 4.26Å; V9-A223 WeakPolarHBondContact O-CB 3.23Å; L11-A223 HydrophobicContact CB-CB 4.04Å; G215-A223 WeakPolarHBondContact CA-O 3.4Å; N219-A223 VanDerWaalsContact O-CB 3.22Å; N219-A223 WeakPolarHBondContact O-CB 3.5Å; N219-A223 PolarHBondContact O-N 3.43Å; A223-C227 WeakPolarHBondContact O-CB 3.31Å; A223-C227 PolarHBondContact O-N 2.81Å; A223-C227 VanDerWaalsContact O-N 3.17Å
224K98.6Very high98.5Very high55 Ų5520.1 Ų20.124%0.23911%0.112CC..Hα-helixtrans-71.1-35.5175.8179.759.5-173.9-169.10112.7L11 D13 E116 Y118 K220 V221 L222L11-K224 HydrophobicContact CD1-CD 3.45Å; L11-K224 VanDerWaalsContact CD1-CD 3.45Å; L11-K224 HydrophobicContact CG-CB 4.18Å; L11-K224 HydrophobicContact CG-CD 3.8Å; D13-K224 IonicContact OD2-NZ 3.67Å; D13-K224 PolarHBondContact OD2-NZ 2.64Å; E116-K224 WeakPolarHBondContact OE2-CD 3.34Å; E116-K224 WeakPolarHBondContact OE2-CE 3.32Å; E116-K224 IonicContact OE2-NZ 3.31Å; E116-K224 PolarHBondContact OE2-NZ 2.77Å; Y118-K224 HydrophobicContact CE1-CB 4.27Å; Y118-K224 WeakPolarHBondContact OH-CB 3.28Å; K220-K224 WeakPolarHBondContact O-CB 3.3Å; K220-K224 PolarHBondContact O-N 2.82Å; V221-K224 PolarHBondContact O-N 2.82Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 2.72Å
225L98.3Very high98.5Very high24 Ų2420.1 Ų20.113%0.12611%0.112CC..Hα-helixtrans-64.8-52.6175.2179.561.4000110.7V221 L222 C227 G228 L229 L246 F247 M250 I255V221-L225 PolarHBondContact O-N 2.95Å; L222-L225 PolarHBondContact O-N 3.41Å; L222-L225 VanDerWaalsContact O-N 3.15Å; L225-C227 VanDerWaalsContact C-N 3.27Å; L225-C227 PolarHBondContact O-N 2.76Å; L225-G228 WeakPolarHBondContact O-CA 3.4Å; L225-G228 PolarHBondContact O-N 3.15Å; L225-L229 HydrophobicContact CD1-CD2 4.45Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L246 HydrophobicContact CD2-CD2 3.97Å; L225-L246 HydrophobicContact CD2-CG 4.49Å; L225-F247 HydrophobicContact CD2-CE1 3.67Å; L225-M250 HydrophobicContact CD1-CE 4.02Å; L225-M250 HydrophobicContact CD1-SD 3.89Å; L225-M250 HydrophobicContact CD2-CE 4.21Å; L225-M250 HydrophobicContact CD2-CG 4.41Å; L225-M250 HydrophobicContact CD2-SD 4.43Å; L225-I255 HydrophobicContact CD2-CD1 4.16Å
226A98.7Very high98.5Very high0 Ų020.1 Ų20.10%011%0.112CC..Hα-helixtrans-52.1-43.1178.400000112.9L222 G228 L229 T236 V238L222-A226 VanDerWaalsContact O-CB 3.3Å; L222-A226 WeakPolarHBondContact O-CB 3.2Å; L222-A226 PolarHBondContact O-N 3.33Å; A226-G228 PolarHBondContact O-N 3.5Å; A226-L229 PolarHBondContact O-N 3.29Å; A226-L229 VanDerWaalsContact O-N 3.14Å; A226-T236 VanDerWaalsContact O-CB 3.29Å; A226-T236 WeakPolarHBondContact O-CB 3.32Å; A226-T236 PolarHBondContact O-OG1 3.16Å; A226-V238 HydrophobicContact CB-CB 4.12Å; A226-V238 HydrophobicContact CB-CG2 3.46Å; A226-V238 VanDerWaalsContact CB-CG2 3.46Å
227C98.7Very high98.5Very high2 Ų220.2 Ų20.21%0.01411%0.112CC..Hα-helixtrans-60.7-25.1176.6-174.70000113.6L11 D13 S213 A223 L225 K231L11-C227 HydrophobicContact CD1-CB 3.76Å; D13-C227 WeakPolarHBondContact CB-SG 3.29Å; S213-C227 PolarHBondContact O-SG 3.47Å; S213-C227 VanDerWaalsContact O-SG 3.41Å; A223-C227 WeakPolarHBondContact O-CB 3.31Å; A223-C227 PolarHBondContact O-N 2.81Å; A223-C227 VanDerWaalsContact O-N 3.17Å; L225-C227 VanDerWaalsContact C-N 3.27Å; L225-C227 PolarHBondContact O-N 2.76Å; C227-K231 WeakPolarHBondContact O-CG 3.31Å
228G97.8Very high98.5Very high51 Ų5120.2 Ų20.253%0.52611%0.112SC..Hα-helixtrans-84.2-16.3177.700000115L225 A226L225-G228 WeakPolarHBondContact O-CA 3.4Å; L225-G228 PolarHBondContact O-N 3.15Å; A226-G228 PolarHBondContact O-N 3.5Å
229L97.9Very high98.5Very high57 Ų5720.6 Ų20.630%0.29812%0.115SC..Hα-helixtrans-75.5-40.1-167.7-57.4179.7000113.2E148 L225 A226 T236 V238 L246E148-L229 HydrophobicContact CG-CD1 4.1Å; E148-L229 VanDerWaalsContact OE2-CD1 3.3Å; E148-L229 WeakPolarHBondContact OE2-CD1 3.31Å; L225-L229 HydrophobicContact CD1-CD2 4.45Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; A226-L229 PolarHBondContact O-N 3.29Å; A226-L229 VanDerWaalsContact O-N 3.14Å; L229-T236 HydrophobicContact CD1-CG2 4.33Å; L229-V238 HydrophobicContact CD1-CG2 4.33Å; L229-L246 HydrophobicContact CD1-CD1 4.39Å
230N98.1Very high98.5Very high19 Ų1922.9 Ų22.910%0.10213%0.126CC..SBendtrans-119.617.1-172.3-77.1-67.2000115.9Y146 K163 R234 T236Y146-N230 HydrophobicContact CD2-CB 3.88Å; Y146-N230 HydrophobicContact CE2-CB 4.16Å; Y146-N230 HydrophobicContact CG-CB 4.19Å; K163-N230 WeakPolarHBondContact CE-OD1 3.41Å; K163-N230 PolarHBondContact NZ-OD1 3.49Å; N230-R234 HydrophobicContact CB-CB 4.11Å; N230-R234 WeakPolarHBondContact O-CB 3.37Å; N230-T236 PolarHBondContact ND2-OG1 3.47Å
231K98.1Very high98.4Very high46 Ų4625.7 Ų25.720%0.216%0.155CC..  trans-55.8143.6174.6-92.6174.1175.5-80.10112.8D13 D15 Y52 S213 C227D13-K231 PolarHBondContact O-NZ 3Å; D13-K231 WeakPolarHBondContact OD1-CE 3.3Å; D13-K231 IonicContact OD1-NZ 3.39Å; D13-K231 PolarHBondContact OD1-NZ 3.1Å; D15-K231 WeakPolarHBondContact OD1-CG 3.5Å; D15-K231 IonicContact OD1-NZ 2.7Å; D15-K231 PolarHBondContact OD1-NZ 3.04Å; D15-K231 IonicContact OD2-NZ 2.73Å; Y52-K231 HydrophobicContact CE1-CB 4.4Å; S213-K231 WeakPolarHBondContact OG-CG 3.27Å; C227-K231 WeakPolarHBondContact O-CG 3.31Å
232P98.4Very high98.4Very high55 Ų5525.9 Ų25.936%0.35716%0.157SC..SBendcis-91.3167.22.735-34.3000115D15 Y52 R234D15-P232 HydrophobicContact CB-CB 4.35Å; D15-P232 WeakPolarHBondContact OD2-CA 3.4Å; Y52-P232 HydrophobicContact CD1-CB 4.13Å; Y52-P232 HydrophobicContact CD1-CG 3.87Å; Y52-P232 HydrophobicContact CD2-CB 3.85Å; Y52-P232 HydrophobicContact CD2-CG 4.12Å; Y52-P232 HydrophobicContact CE1-CB 3.93Å; Y52-P232 HydrophobicContact CE1-CG 4.1Å; Y52-P232 HydrophobicContact CE2-CB 3.65Å; Y52-P232 HydrophobicContact CE2-CG 4.35Å; Y52-P232 HydrophobicContact CG-CB 4.09Å; Y52-P232 HydrophobicContact CG-CG 3.87Å; P232-R234 VanDerWaalsContact C-N 3.3Å; P232-R234 PolarHBondContact O-N 2.69Å
233N98.5Very high98.4Very high28 Ų2826 Ų2615%0.1516%0.158CC..SBendtrans44.448.8168.4-16215.4000115D15 R201 Q211 C212 S213D15-N233 PolarHBondContact OD2-N 2.76Å; R201-N233 PolarHBondContact NH2-OD1 3.08Å; Q211-N233 HydrophobicContact CB-CB 4.15Å; Q211-N233 HydrophobicContact CG-CB 4.46Å; Q211-N233 WeakPolarHBondContact CG-ND2 3.4Å; Q211-N233 PolarHBondContact NE2-ND2 3.28Å; Q211-N233 PolarHBondContact OE1-ND2 2.93Å; Q211-N233 VanDerWaalsContact OE1-ND2 3.15Å; C212-N233 PolarHBondContact O-OD1 2.74Å; S213-N233 PolarHBondContact OG-N 3.19Å
234R98.8Very high98.3Very high77 Ų7730.5 Ų30.529%0.29119%0.187SC..  trans-146161.6173.7-67.8-63.3-173.2-85.79.9109.6S144 Y146 E164 S213 A214 N230 P232S144-R234 VanDerWaalsContact O-CD 3.23Å; S144-R234 WeakPolarHBondContact O-CD 3.38Å; Y146-R234 HydrophobicContact CD2-CB 4.21Å; Y146-R234 HydrophobicContact CD2-CG 4.37Å; Y146-R234 HydrophobicContact CE2-CB 4.1Å; Y146-R234 HydrophobicContact CE2-CG 3.77Å; E164-R234 IonicContact OE2-NE 3.58Å; E164-R234 IonicContact OE2-NH2 2.73Å; E164-R234 PolarHBondContact OE2-NH2 2.93Å; S213-R234 WeakPolarHBondContact CA-O 3.48Å; S213-R234 WeakPolarHBondContact CB-O 3.48Å; S213-R234 PolarHBondContact OG-N 3.21Å; S213-R234 VanDerWaalsContact OG-N 3.13Å; S213-R234 PolarHBondContact OG-O 2.81Å; A214-R234 PolarHBondContact N-O 2.89Å; N230-R234 HydrophobicContact CB-CB 4.11Å; N230-R234 WeakPolarHBondContact O-CB 3.37Å; P232-R234 VanDerWaalsContact C-N 3.3Å; P232-R234 PolarHBondContact O-N 2.69Å
235Q98.8Very high98.3Very high0 Ų033.6 Ų33.60%020%0.202CC..EExtended strand (participates in β ladder)trans-121.4153.2170.763.2-175.250.200111.8S144 T145 Y146 A194 A214 I216S144-Q235 PolarHBondContact O-N 3.04Å; S144-Q235 VanDerWaalsContact O-N 3.08Å; T145-Q235 CarbonylContact C-O 3.19Å; T145-Q235 WeakPolarHBondContact CA-O 3.35Å; T145-Q235 HydrophobicContact CG2-CG 4.39Å; T145-Q235 VanDerWaalsContact OG1-CG 3.23Å; T145-Q235 WeakPolarHBondContact OG1-CG 3.44Å; T145-Q235 PolarHBondContact OG1-NE2 3.27Å; Y146-Q235 PolarHBondContact N-O 3.27Å; A194-Q235 PolarHBondContact O-NE2 3.28Å; A214-Q235 HydrophobicContact CB-CB 3.99Å; A214-Q235 CarbonylContact O-C 3.53Å; A214-Q235 WeakPolarHBondContact O-CA 3.45Å; A214-Q235 WeakPolarHBondContact O-CB 3.46Å; I216-Q235 HydrophobicContact CD1-CB 3.99Å; I216-Q235 HydrophobicContact CD1-CG 4.21Å
236T98.9Very high98.3Very high1 Ų133.3 Ų33.31%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-125.5131.4178.1-35.10000110.6Y146 E148 A214 G215 I216 A226 L229 N230Y146-T236 CarbonylContact O-C 3.56Å; Y146-T236 WeakPolarHBondContact O-CA 3.41Å; E148-T236 HydrophobicContact CB-CG2 4.21Å; A214-T236 PolarHBondContact O-N 3.33Å; G215-T236 WeakPolarHBondContact CA-O 3.21Å; I216-T236 PolarHBondContact N-O 3.13Å; A226-T236 VanDerWaalsContact O-CB 3.29Å; A226-T236 WeakPolarHBondContact O-CB 3.32Å; A226-T236 PolarHBondContact O-OG1 3.16Å; L229-T236 HydrophobicContact CD1-CG2 4.33Å; N230-T236 PolarHBondContact ND2-OG1 3.47Å
237L98.9Very high98.2Very high1 Ų133.3 Ų33.31%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-92.9127169-173.5158.3000108.9Y146 I147 E148 W174 L190 A194 I216Y146-L237 PolarHBondContact O-N 3.39Å; I147-L237 HydrophobicContact CD1-CB 3.86Å; I147-L237 HydrophobicContact CD1-CD1 4.11Å; I147-L237 HydrophobicContact CD1-CD2 4.48Å; I147-L237 HydrophobicContact CD1-CG 4.38Å; I147-L237 HydrophobicContact CG2-CD2 4.48Å; E148-L237 WeakPolarHBondContact CB-O 3.44Å; E148-L237 PolarHBondContact N-O 2.81Å; W174-L237 HydrophobicContact CH2-CD2 4.01Å; W174-L237 HydrophobicContact CZ2-CD1 4.22Å; W174-L237 HydrophobicContact CZ2-CD2 3.73Å; L190-L237 HydrophobicContact CB-CD1 3.82Å; L190-L237 HydrophobicContact CB-CD2 4.27Å; L190-L237 HydrophobicContact CB-CG 4.07Å; L190-L237 HydrophobicContact CD1-CD2 4.06Å; L190-L237 HydrophobicContact CD1-CG 4.47Å; A194-L237 HydrophobicContact CB-CD1 4.27Å; I216-L237 WeakPolarHBondContact O-CA 3.27Å
238V98.9Very high98.2Very high0 Ų036.3 Ų36.30%022%0.222CC..  trans-116.5102.8173.8169.20000108.1E148 I216 S217 L222 A226 L229 S242 V243 L246E148-V238 HydrophobicContact CB-CG2 3.71Å; E148-V238 HydrophobicContact CG-CG2 4.07Å; I216-V238 PolarHBondContact O-N 3.34Å; S217-V238 VanDerWaalsContact CB-O 3.31Å; S217-V238 WeakPolarHBondContact CB-O 3.22Å; S217-V238 PolarHBondContact OG-O 3.37Å; L222-V238 HydrophobicContact CB-CG1 4.46Å; L222-V238 HydrophobicContact CD1-CG1 4.48Å; L222-V238 HydrophobicContact CD2-CG1 4.44Å; A226-V238 HydrophobicContact CB-CB 4.12Å; A226-V238 HydrophobicContact CB-CG2 3.46Å; A226-V238 VanDerWaalsContact CB-CG2 3.46Å; L229-V238 HydrophobicContact CD1-CG2 4.33Å; V238-S242 WeakPolarHBondContact CG1-OG 3.34Å; V238-V243 HydrophobicContact CG1-CG2 4.45Å; V238-L246 HydrophobicContact CG1-CD2 3.97Å; V238-L246 HydrophobicContact CG2-CD2 4.31Å
239S98.6Very high98.1Very high10 Ų1041.3 Ų41.37%0.0723%0.231CC..  trans-75.9160.4176.965.40000111.5D187 G241 S242D187-S239 WeakPolarHBondContact OD1-CB 3.4Å; S239-G241 PolarHBondContact O-N 3.16Å; S239-S242 PolarHBondContact N-OG 3.46Å; S239-S242 PolarHBondContact O-N 3.25Å; S239-S242 PolarHBondContact O-OG 3.02Å; S239-S242 PolarHBondContact OG-N 2.76Å
240H98.1Very high98.1Very high47 Ų4739.6 Ų39.622%0.21822%0.222CC..G310 helixtrans-58.9-38.8174.5-174.269.3000111.8T3 Q5 S242 V243 R303T3-H240 PolarHBondContact O-CE1 3.04Å; T3-H240 PolarHBondContact O-ND1 3.38Å; Q5-H240 HydrophobicContact CG-CB 3.92Å; H240-S242 VanDerWaalsContact C-N 3.31Å; H240-S242 PolarHBondContact O-N 3.45Å; H240-V243 WeakPolarHBondContact O-CB 3.28Å; H240-V243 PolarHBondContact O-N 3.06Å; H240-R303 PolarHBondContact CE1-O 3.46Å
241G97.3Very high98.1Very high61 Ų6139.9 Ų39.963%0.62923%0.225SC*.G310 helixtrans-64.2-27.6177.400000114.8S239 V243 P244S239-G241 PolarHBondContact O-N 3.16Å; G241-V243 VanDerWaalsContact C-N 3.34Å; G241-P244 WeakPolarHBondContact O-CD 3.38Å
242S97.7Very high98.1Very high9 Ų937.7 Ų37.76%0.06322%0.215CC..G310 helixtrans-73.7-22.517770.30000113.8V238 S239 H240 Q245 L246V238-S242 WeakPolarHBondContact CG1-OG 3.34Å; S239-S242 PolarHBondContact N-OG 3.46Å; S239-S242 PolarHBondContact O-N 3.25Å; S239-S242 PolarHBondContact O-OG 3.02Å; S239-S242 PolarHBondContact OG-N 2.76Å; H240-S242 VanDerWaalsContact C-N 3.31Å; H240-S242 PolarHBondContact O-N 3.45Å; S242-Q245 PolarHBondContact O-N 3.13Å; S242-L246 WeakPolarHBondContact O-CB 3.36Å; S242-L246 PolarHBondContact O-N 3.33Å
243V98.3Very high98Very high4 Ų442.5 Ų42.52%0.02423%0.226CC..Hα-helixtrans-58.8-44.6-169.9178.60000114L222 V238 H240 G241 Q245 L246 F247L222-V243 HydrophobicContact CD1-CG2 3.82Å; L222-V243 HydrophobicContact CD2-CG2 4.28Å; V238-V243 HydrophobicContact CG1-CG2 4.45Å; H240-V243 WeakPolarHBondContact O-CB 3.28Å; H240-V243 PolarHBondContact O-N 3.06Å; G241-V243 VanDerWaalsContact C-N 3.34Å; V243-Q245 PolarHBondContact O-N 2.89Å; V243-L246 PolarHBondContact O-N 3.25Å; V243-F247 HydrophobicContact CG1-CD1 4.42Å; V243-F247 HydrophobicContact CG1-CD2 3.49Å; V243-F247 VanDerWaalsContact CG1-CD2 3.49Å; V243-F247 HydrophobicContact CG1-CE2 3.61Å; V243-F247 HydrophobicContact CG1-CG 3.93Å; V243-F247 HydrophobicContact CG1-CZ 4.17Å; V243-F247 VanDerWaalsContact O-CB 3.28Å; V243-F247 WeakPolarHBondContact O-CB 3.32Å; V243-F247 PolarHBondContact O-N 3.41Å
244P98.1Very high97.9Very high94 Ų9448 Ų4861%0.6125%0.249SC*.Hα-helixtrans-61.8-40.8-177.9-24.435.8000113.3G241 S248G241-P244 WeakPolarHBondContact O-CD 3.38Å; P244-S248 PolarHBondContact O-N 3.5Å; P244-S248 VanDerWaalsContact O-N 3.13Å
245Q97.4Very high97.8Very high119 Ų11944.5 Ų44.556%0.55624%0.236SC*.Hα-helixtrans-69-51.3175.6-67.3-174.34.400110.6S242 V243 F247 S248S242-Q245 PolarHBondContact O-N 3.13Å; V243-Q245 PolarHBondContact O-N 2.89Å; Q245-F247 VanDerWaalsContact C-N 3.25Å; Q245-F247 PolarHBondContact O-N 2.87Å; Q245-S248 WeakPolarHBondContact O-CB 3.27Å; Q245-S248 PolarHBondContact O-N 3.17Å; Q245-S248 VanDerWaalsContact O-N 3.17Å; Q245-S248 PolarHBondContact O-OG 3.14Å
246L97.7Very high97.6Very high18 Ų1849.3 Ų49.39%0.09425%0.254CS..Hα-helixtrans-53.9-41.8178.5178.162.4000112E148 L225 L229 V238 S242 V243 M250E148-L246 HydrophobicContact CG-CD1 4.13Å; E148-L246 HydrophobicContact CG-CD2 4.27Å; L225-L246 HydrophobicContact CD2-CD2 3.97Å; L225-L246 HydrophobicContact CD2-CG 4.49Å; L229-L246 HydrophobicContact CD1-CD1 4.39Å; V238-L246 HydrophobicContact CG1-CD2 3.97Å; V238-L246 HydrophobicContact CG2-CD2 4.31Å; S242-L246 WeakPolarHBondContact O-CB 3.36Å; S242-L246 PolarHBondContact O-N 3.33Å; V243-L246 PolarHBondContact O-N 3.25Å; L246-M250 HydrophobicContact CD1-CE 3.78Å; L246-M250 HydrophobicContact CG-CE 4.38Å; L246-M250 WeakPolarHBondContact O-CB 3.33Å; L246-M250 PolarHBondContact O-N 2.86Å
247F98.4Very high97.4Very high1 Ų154.5 Ų54.50%0.00428%0.282CS..Hα-helixtrans-84.4-16.3-176.9-76.64.1000114.9L222 L225 V243 Q245 Q249 M250 I255 M275 G276 M301L222-F247 HydrophobicContact CD2-CE1 4.06Å; L222-F247 HydrophobicContact CD2-CE2 4.4Å; L222-F247 HydrophobicContact CD2-CZ 3.54Å; L225-F247 HydrophobicContact CD2-CE1 3.67Å; V243-F247 HydrophobicContact CG1-CD1 4.42Å; V243-F247 HydrophobicContact CG1-CD2 3.49Å; V243-F247 VanDerWaalsContact CG1-CD2 3.49Å; V243-F247 HydrophobicContact CG1-CE2 3.61Å; V243-F247 HydrophobicContact CG1-CG 3.93Å; V243-F247 HydrophobicContact CG1-CZ 4.17Å; V243-F247 VanDerWaalsContact O-CB 3.28Å; V243-F247 WeakPolarHBondContact O-CB 3.32Å; V243-F247 PolarHBondContact O-N 3.41Å; Q245-F247 VanDerWaalsContact C-N 3.25Å; Q245-F247 PolarHBondContact O-N 2.87Å; F247-Q249 PolarHBondContact O-N 2.98Å; F247-M250 HydrophobicContact CD1-CB 3.96Å; F247-M250 HydrophobicContact CD1-CG 4.25Å; F247-M250 HydrophobicContact CE1-CG 4.48Å; F247-M250 PolarHBondContact O-N 3.16Å; F247-I255 HydrophobicContact CE1-CD1 3.99Å; F247-I255 HydrophobicContact CZ-CD1 4.1Å; F247-M275 HydrophobicContact CB-CB 4.08Å; F247-M275 HydrophobicContact CD1-CB 4.37Å; F247-M275 HydrophobicContact CD2-CB 4.05Å; F247-M275 HydrophobicContact CD2-CG 3.61Å; F247-M275 HydrophobicContact CE2-CG 3.79Å; F247-M275 HydrophobicContact CG-CB 3.93Å; F247-M275 HydrophobicContact CG-CG 4Å; F247-M275 HydrophobicContact CZ-CG 4.31Å; F247-G276 PolarHBondContact O-N 2.85Å; F247-M301 WeakPolarHBondContact CE2-O 3.42Å; F247-M301 HydrophobicContact CZ-CE 4.41Å
248S97.7Very high97.3Very high65 Ų6554.5 Ų54.546%0.45528%0.282SS..Hα-helixtrans-57.6-30.4174.171.40000112.9P244 Q245 Y274P244-S248 PolarHBondContact O-N 3.5Å; P244-S248 VanDerWaalsContact O-N 3.13Å; Q245-S248 WeakPolarHBondContact O-CB 3.27Å; Q245-S248 PolarHBondContact O-N 3.17Å; Q245-S248 VanDerWaalsContact O-N 3.17Å; Q245-S248 PolarHBondContact O-OG 3.14Å; S248-Y274 WeakPolarHBondContact O-CB 3.48Å
249Q95.8Very high97.1Very high156 Ų15657.5 Ų57.573%0.72931%0.313SS*.SBendtrans-124.612179.2-61.2-178.119.800113.3F247 P251 Y274F247-Q249 PolarHBondContact O-N 2.98Å; Q249-P251 WeakPolarHBondContact O-CD 3.39Å; Q249-Y274 WeakPolarHBondContact O-CD1 3.47Å
250M97.8Very high96.9Very high21 Ų2159 Ų5910%0.10333%0.329CS..  trans-84109.6177.4-173.15652.500110.9L225 L246 F247 I252 K254 I255 Y274 M275L225-M250 HydrophobicContact CD1-CE 4.02Å; L225-M250 HydrophobicContact CD1-SD 3.89Å; L225-M250 HydrophobicContact CD2-CE 4.21Å; L225-M250 HydrophobicContact CD2-CG 4.41Å; L225-M250 HydrophobicContact CD2-SD 4.43Å; L246-M250 HydrophobicContact CD1-CE 3.78Å; L246-M250 HydrophobicContact CG-CE 4.38Å; L246-M250 WeakPolarHBondContact O-CB 3.33Å; L246-M250 PolarHBondContact O-N 2.86Å; F247-M250 HydrophobicContact CD1-CB 3.96Å; F247-M250 HydrophobicContact CD1-CG 4.25Å; F247-M250 HydrophobicContact CE1-CG 4.48Å; F247-M250 PolarHBondContact O-N 3.16Å; M250-I252 PolarHBondContact O-N 3.27Å; M250-K254 HydrophobicContact CG-CB 4.4Å; M250-K254 HydrophobicContact SD-CB 3.61Å; M250-K254 HydrophobicContact SD-CG 3.92Å; M250-I255 HydrophobicContact CG-CD1 3.84Å; M250-Y274 CarbonylContact O-C 3.6Å; M250-Y274 WeakPolarHBondContact O-CA 3.27Å; M250-M275 HydrophobicContact CB-CB 4.42Å; M250-M275 PolarHBondContact O-N 2.81Å
251P98.3Very high96.8Very high24 Ų2465.8 Ų65.816%0.15636%0.358CS..BIsolated β-bridgetrans-67.7134.1-176.7-17.832.3000110.5Q249 R253 K254 E273 Y274Q249-P251 WeakPolarHBondContact O-CD 3.39Å; P251-R253 HydrophobicContact CB-CG 4.21Å; P251-R253 PolarHBondContact O-N 3.25Å; P251-K254 WeakPolarHBondContact O-CB 3.48Å; P251-K254 PolarHBondContact O-N 2.9Å; P251-E273 WeakPolarHBondContact CA-O 3.5Å; P251-Y274 HydrophobicContact CG-CD1 4.38Å; P251-Y274 HydrophobicContact CG-CE1 4.18Å
252I97.7Very high96.8Very high0 Ų065.1 Ų65.10%034%0.34CS..G310 helixtrans-48.4-39.2-172.5-74.9163.7000112.9M250 K254 I255 L258 V266 I267 V272 E273 M275 L278M250-I252 PolarHBondContact O-N 3.27Å; I252-K254 PolarHBondContact O-N 3.36Å; I252-K254 VanDerWaalsContact O-N 3.09Å; I252-I255 PolarHBondContact O-N 2.94Å; I252-I255 VanDerWaalsContact O-N 3.09Å; I252-L258 HydrophobicContact CG2-CB 4.05Å; I252-L258 HydrophobicContact CG2-CD1 3.94Å; I252-L258 WeakPolarHBondContact O-CB 3.13Å; I252-V266 HydrophobicContact CD1-CG1 4.09Å; I252-I267 HydrophobicContact CB-CD1 4.25Å; I252-I267 HydrophobicContact CB-CG1 4.19Å; I252-I267 HydrophobicContact CD1-CG1 4.02Å; I252-I267 HydrophobicContact CG2-CD1 4.43Å; I252-I267 HydrophobicContact CG2-CG1 4.33Å; I252-V272 HydrophobicContact CD1-CG2 3.75Å; I252-E273 PolarHBondContact N-O 3Å; I252-M275 HydrophobicContact CG1-SD 4.47Å; I252-L278 HydrophobicContact CD1-CD1 4.42Å; I252-L278 HydrophobicContact CD1-CD2 4.46Å; I252-L278 HydrophobicContact CD1-CG 4.41Å
253R96.9Very high96.8Very high157 Ų15764.8 Ų64.859%0.59234%0.338SS*.G310 helixtrans-59.4-15.6176.864.9-176.7178.6-84.52.4116.1P251 G259P251-R253 HydrophobicContact CB-CG 4.21Å; P251-R253 PolarHBondContact O-N 3.25Å; R253-G259 VanDerWaalsContact O-CA 3.25Å; R253-G259 WeakPolarHBondContact O-CA 3.21Å
254K96.2Very high96.8Very high143 Ų14367.1 Ų67.162%0.62236%0.357SS*.G310 helixtrans-81.4-25.4175.8-68.4-74.2-169.4162.20112.7M250 P251 I252M250-K254 HydrophobicContact CG-CB 4.4Å; M250-K254 HydrophobicContact SD-CB 3.61Å; M250-K254 HydrophobicContact SD-CG 3.92Å; P251-K254 WeakPolarHBondContact O-CB 3.48Å; P251-K254 PolarHBondContact O-N 2.9Å; I252-K254 PolarHBondContact O-N 3.36Å; I252-K254 VanDerWaalsContact O-N 3.09Å
255I96.8Very high96.8Very high4 Ų464.6 Ų64.62%0.02134%0.342CS..SBendtrans-72.2139.6-178-56.8-57.7000110V221 L225 F247 M250 I252 N257 L258 M275 W297 M301V221-I255 HydrophobicContact CG1-CG2 3.77Å; L225-I255 HydrophobicContact CD2-CD1 4.16Å; F247-I255 HydrophobicContact CE1-CD1 3.99Å; F247-I255 HydrophobicContact CZ-CD1 4.1Å; M250-I255 HydrophobicContact CG-CD1 3.84Å; I252-I255 PolarHBondContact O-N 2.94Å; I252-I255 VanDerWaalsContact O-N 3.09Å; I255-N257 PolarHBondContact O-N 3.09Å; I255-L258 HydrophobicContact CB-CB 4.35Å; I255-L258 HydrophobicContact CB-CD1 4.16Å; I255-L258 HydrophobicContact CG2-CD1 4.16Å; I255-L258 PolarHBondContact O-N 2.91Å; I255-M275 HydrophobicContact CD1-CG 4.38Å; I255-M275 HydrophobicContact CG1-CB 4.4Å; I255-M275 HydrophobicContact CG1-CG 4.07Å; I255-M275 HydrophobicContact CG1-SD 3.78Å; I255-W297 HydrophobicContact CG2-CH2 4.23Å; I255-M301 HydrophobicContact CG2-CG 4.37Å
256R94.9Very high96.8Very high101 Ų10158.9 Ų58.938%0.38132%0.315SS..THydrogen-bonded Turntrans-56.5137.4179.3-171.6176.5177.5-160.6-4.1109.9Y118 V221 L258 W297Y118-R256 PolarHBondContact OH-NH1 3.03Å; V221-R256 HydrophobicContact CG1-CB 4.39Å; R256-L258 PolarHBondContact O-N 2.88Å; R256-W297 WeakPolarHBondContact O-CH2 3.46Å
257N94.6Very high96.8Very high110 Ų11060.7 Ų60.759%0.58832%0.324SS*.THydrogen-bonded Turntrans72.6-12.1-172.8-43.8-44.1000116.2I255I255-N257 PolarHBondContact O-N 3.09Å
258L96.6Very high96.8Very high1 Ų167.9 Ų67.91%0.00536%0.358CS..THydrogen-bonded Turntrans-100.9-8179.8-63.2-178.7000114.6I252 I255 R256 G260 L262 G263 M275 W297 L298I252-L258 HydrophobicContact CG2-CB 4.05Å; I252-L258 HydrophobicContact CG2-CD1 3.94Å; I252-L258 WeakPolarHBondContact O-CB 3.13Å; I255-L258 HydrophobicContact CB-CB 4.35Å; I255-L258 HydrophobicContact CB-CD1 4.16Å; I255-L258 HydrophobicContact CG2-CD1 4.16Å; I255-L258 PolarHBondContact O-N 2.91Å; R256-L258 PolarHBondContact O-N 2.88Å; L258-G260 PolarHBondContact O-N 2.78Å; L258-L262 HydrophobicContact CD2-CB 4.3Å; L258-L262 HydrophobicContact CD2-CD2 3.84Å; L258-L262 HydrophobicContact CD2-CG 3.76Å; L258-G263 VanDerWaalsContact O-CA 3.31Å; L258-G263 WeakPolarHBondContact O-CA 3.18Å; L258-M275 HydrophobicContact CD1-CE 4.47Å; L258-M275 HydrophobicContact CD1-SD 4.25Å; L258-W297 HydrophobicContact CD1-CH2 4.09Å; L258-W297 HydrophobicContact CD1-CZ3 3.93Å; L258-W297 HydrophobicContact CD2-CZ3 3.95Å; L258-W297 HydrophobicContact CG-CH2 4.01Å; L258-W297 HydrophobicContact CG-CZ3 3.89Å; L258-L298 HydrophobicContact CD1-CD2 3.75Å; L258-L298 HydrophobicContact CD2-CD2 4.2Å
259G94.5Very high96.8Very high63 Ų6368.7 Ų68.765%0.64936%0.356SS*.SBendtrans-69.938.5170.200000115.5R253R253-G259 VanDerWaalsContact O-CA 3.25Å; R253-G259 WeakPolarHBondContact O-CA 3.21Å
260G95Very high96.9Very high40 Ų4062.4 Ų62.441%0.41233%0.328SS..SBendtrans-165.8-160.9-176.100000112.1L258 L262 G263 A264L258-G260 PolarHBondContact O-N 2.78Å; G260-L262 VanDerWaalsContact C-N 3.29Å; G260-L262 PolarHBondContact O-N 2.66Å; G260-L262 VanDerWaalsContact O-N 3.1Å; G260-G263 PolarHBondContact O-N 2.66Å; G260-G263 VanDerWaalsContact O-N 3.08Å; G260-A264 PolarHBondContact O-N 3.17Å
261K95.9Very high96.9Very high190 Ų19064.6 Ų64.683%0.82636%0.355SS*.Hα-helixtrans-48.4-43.6-172.1-71.9-164.7172.6-161.20114.6A264 S265K261-A264 PolarHBondContact O-N 3.23Å; K261-S265 PolarHBondContact O-N 3.19Å; K261-S265 PolarHBondContact O-OG 2.57Å
262L96.9Very high96.9Very high48 Ų4863.8 Ų63.825%0.25135%0.35SS..Hα-helixtrans-61.1-50.3-179.7178.659.8000111.7L258 G260 A264 S265 V266 F290L258-L262 HydrophobicContact CD2-CB 4.3Å; L258-L262 HydrophobicContact CD2-CD2 3.84Å; L258-L262 HydrophobicContact CD2-CG 3.76Å; G260-L262 VanDerWaalsContact C-N 3.29Å; G260-L262 PolarHBondContact O-N 2.66Å; G260-L262 VanDerWaalsContact O-N 3.1Å; L262-A264 VanDerWaalsContact C-N 3.34Å; L262-A264 PolarHBondContact O-N 3.37Å; L262-S265 PolarHBondContact O-N 3.03Å; L262-V266 HydrophobicContact CD1-CG2 4.43Å; L262-V266 VanDerWaalsContact O-CG2 3.31Å; L262-V266 WeakPolarHBondContact O-CG2 3.27Å; L262-V266 PolarHBondContact O-N 3.35Å; L262-F290 HydrophobicContact CD1-CB 4.39Å; L262-F290 HydrophobicContact CD1-CD1 4.08Å; L262-F290 HydrophobicContact CD1-CG 4.48Å
263G97.5Very high96.9Very high1 Ų169 Ų691%0.0137%0.374CS..Hα-helixtrans-68.4-31.717900000113.4L258 G260 V266 I267L258-G263 VanDerWaalsContact O-CA 3.31Å; L258-G263 WeakPolarHBondContact O-CA 3.18Å; G260-G263 PolarHBondContact O-N 2.66Å; G260-G263 VanDerWaalsContact O-N 3.08Å; G263-V266 PolarHBondContact O-N 3.13Å; G263-I267 WeakPolarHBondContact O-CD1 3.46Å; G263-I267 VanDerWaalsContact O-CG1 3.29Å; G263-I267 WeakPolarHBondContact O-CG1 3.47Å; G263-I267 PolarHBondContact O-N 2.84Å
264A97.8Very high97Very high53 Ų5365.2 Ų65.244%0.43836%0.361SS..Hα-helixtrans-61.4-46.7170.400000111.4G260 K261 L262 V266 I267 E268G260-A264 PolarHBondContact O-N 3.17Å; K261-A264 PolarHBondContact O-N 3.23Å; L262-A264 VanDerWaalsContact C-N 3.34Å; L262-A264 PolarHBondContact O-N 3.37Å; A264-V266 VanDerWaalsContact C-N 3.34Å; A264-V266 PolarHBondContact O-N 2.73Å; A264-I267 PolarHBondContact O-N 3.12Å; A264-E268 VanDerWaalsContact O-CB 3.29Å; A264-E268 WeakPolarHBondContact O-CB 3.5Å; A264-E268 PolarHBondContact O-N 3.02Å
265S97.8Very high97Very high41 Ų4158.4 Ų58.429%0.28733%0.331SS..Hα-helixtrans-68.6-27.8175.2-61.60000113.5K261 L262 I269K261-S265 PolarHBondContact O-N 3.19Å; K261-S265 PolarHBondContact O-OG 2.57Å; L262-S265 PolarHBondContact O-N 3.03Å; S265-I269 WeakPolarHBondContact O-CB 3.49Å; S265-I269 WeakPolarHBondContact O-CG1 3.4Å; S265-I269 PolarHBondContact O-N 3.4Å
266V98.1Very high97.1Very high0 Ų059 Ų590%034%0.338CS..Hα-helixtrans-65.9-46.2171.5171.90000110.7I252 L262 G263 A264 L270 L278 F290 L298I252-V266 HydrophobicContact CD1-CG1 4.09Å; L262-V266 HydrophobicContact CD1-CG2 4.43Å; L262-V266 VanDerWaalsContact O-CG2 3.31Å; L262-V266 WeakPolarHBondContact O-CG2 3.27Å; L262-V266 PolarHBondContact O-N 3.35Å; G263-V266 PolarHBondContact O-N 3.13Å; A264-V266 VanDerWaalsContact C-N 3.34Å; A264-V266 PolarHBondContact O-N 2.73Å; V266-L270 HydrophobicContact CG1-CD1 4.02Å; V266-L270 WeakPolarHBondContact O-CB 3.44Å; V266-L270 PolarHBondContact O-N 2.7Å; V266-L278 HydrophobicContact CG1-CD1 4.28Å; V266-L278 HydrophobicContact CG1-CD2 3.71Å; V266-F290 HydrophobicContact CB-CE1 4.3Å; V266-F290 HydrophobicContact CB-CZ 4.16Å; V266-F290 HydrophobicContact CG2-CD1 3.96Å; V266-F290 HydrophobicContact CG2-CD2 4.35Å; V266-F290 HydrophobicContact CG2-CE1 3.63Å; V266-F290 HydrophobicContact CG2-CE2 4.07Å; V266-F290 HydrophobicContact CG2-CG 4.33Å; V266-F290 HydrophobicContact CG2-CZ 3.72Å; V266-L298 HydrophobicContact CG2-CD1 3.8Å; V266-L298 HydrophobicContact CG2-CD2 4.41Å
267I98.1Very high97.2Very high55 Ų5557.2 Ų57.228%0.28233%0.334SS..Hα-helixtrans-60.2-50.2175.2-68.5161.6000110.5I252 G263 A264 G271 V272I252-I267 HydrophobicContact CB-CD1 4.25Å; I252-I267 HydrophobicContact CB-CG1 4.19Å; I252-I267 HydrophobicContact CD1-CG1 4.02Å; I252-I267 HydrophobicContact CG2-CD1 4.43Å; I252-I267 HydrophobicContact CG2-CG1 4.33Å; G263-I267 WeakPolarHBondContact O-CD1 3.46Å; G263-I267 VanDerWaalsContact O-CG1 3.29Å; G263-I267 WeakPolarHBondContact O-CG1 3.47Å; G263-I267 PolarHBondContact O-N 2.84Å; A264-I267 PolarHBondContact O-N 3.12Å; I267-G271 WeakPolarHBondContact O-CA 3.44Å; I267-G271 PolarHBondContact O-N 3.48Å; I267-V272 WeakPolarHBondContact CA-O 3.37Å; I267-V272 WeakPolarHBondContact CG1-O 3.35Å; I267-V272 WeakPolarHBondContact CG2-O 3.41Å; I267-V272 PolarHBondContact O-N 3.15Å
268E98Very high97.4Very high153 Ų15352 Ų5272%0.71531%0.306SS*.Hα-helixtrans-66.2-43.1-176-177.4-179.9-160.100113.7A264A264-E268 VanDerWaalsContact O-CB 3.29Å; A264-E268 WeakPolarHBondContact O-CB 3.5Å; A264-E268 PolarHBondContact O-N 3.02Å
269I97.9Very high97.4Very high81 Ų8154.8 Ų54.842%0.41532%0.323SS..Hα-helixtrans-82.5-31.3-173.9-65.6172000112.2S265 H289 F290S265-I269 WeakPolarHBondContact O-CB 3.49Å; S265-I269 WeakPolarHBondContact O-CG1 3.4Å; S265-I269 PolarHBondContact O-N 3.4Å; I269-H289 HydrophobicContact CG2-CB 4.18Å; I269-H289 WeakPolarHBondContact CG2-ND1 3.47Å; I269-F290 HydrophobicContact CB-CE1 4.49Å; I269-F290 HydrophobicContact CB-CZ 4.33Å; I269-F290 HydrophobicContact CD1-CE1 4.12Å; I269-F290 HydrophobicContact CG2-CZ 4.44Å
270L97.9Very high97.6Very high25 Ų2558 Ų5813%0.13132%0.321CS..Hα-helixtrans-99.6-16-178.2-56.9-179.2000113.9V266 V272 L278 F281 L286 F290V266-L270 HydrophobicContact CG1-CD1 4.02Å; V266-L270 WeakPolarHBondContact O-CB 3.44Å; V266-L270 PolarHBondContact O-N 2.7Å; L270-V272 HydrophobicContact CB-CG1 4.43Å; L270-V272 HydrophobicContact CB-CG2 3.97Å; L270-L278 HydrophobicContact CD1-CD2 3.47Å; L270-L278 VanDerWaalsContact CD1-CD2 3.47Å; L270-F281 HydrophobicContact CB-CE1 4.47Å; L270-F281 HydrophobicContact CB-CE2 4.12Å; L270-F281 HydrophobicContact CB-CZ 3.82Å; L270-F281 HydrophobicContact CD1-CD2 4.04Å; L270-F281 HydrophobicContact CD1-CE2 3.87Å; L270-F281 HydrophobicContact CD1-CZ 4.24Å; L270-F281 HydrophobicContact CD2-CD1 4.28Å; L270-F281 HydrophobicContact CD2-CE1 4Å; L270-F281 HydrophobicContact CD2-CZ 4.15Å; L270-F281 HydrophobicContact CG-CE2 4.41Å; L270-F281 HydrophobicContact CG-CZ 4.29Å; L270-L286 HydrophobicContact CD1-CD2 3.69Å; L270-F290 HydrophobicContact CD1-CE2 3.97Å; L270-F290 HydrophobicContact CD1-CZ 4.19Å; L270-F290 HydrophobicContact CD2-CE2 4.31Å; L270-F290 HydrophobicContact CD2-CZ 4.36Å; L270-F290 HydrophobicContact CG-CE2 4.18Å; L270-F290 HydrophobicContact CG-CZ 4.02Å
271G97.9Very high97.8Very high66 Ų6657.7 Ų57.768%0.6831%0.309SS*.THydrogen-bonded Turntrans7236.6-179.400000114.3I267I267-G271 WeakPolarHBondContact O-CA 3.44Å; I267-G271 PolarHBondContact O-N 3.48Å
272V97.9Very high97.9Very high7 Ų752.2 Ų52.24%0.04229%0.291CS..  trans-128.3153.3-174.3-61.30000112I252 I267 L270 E277 L278 F281I252-V272 HydrophobicContact CD1-CG2 3.75Å; I267-V272 WeakPolarHBondContact CA-O 3.37Å; I267-V272 WeakPolarHBondContact CG1-O 3.35Å; I267-V272 WeakPolarHBondContact CG2-O 3.41Å; I267-V272 PolarHBondContact O-N 3.15Å; L270-V272 HydrophobicContact CB-CG1 4.43Å; L270-V272 HydrophobicContact CB-CG2 3.97Å; V272-E277 HydrophobicContact CB-CB 3.87Å; V272-E277 HydrophobicContact CB-CG 4.45Å; V272-E277 HydrophobicContact CG1-CB 3.78Å; V272-L278 HydrophobicContact CG2-CD2 3.94Å; V272-F281 HydrophobicContact CG1-CE2 4.12Å; V272-F281 HydrophobicContact CG1-CZ 4.3Å
273E97.4Very high98Very high109 Ų10953.3 Ų53.351%0.50930%0.295SS..  trans-108.6-35.9-179.4-64.8-168.4165.700113.2P251 I252 E277P251-E273 WeakPolarHBondContact CA-O 3.5Å; I252-E273 PolarHBondContact N-O 3Å; E273-E277 PolarHBondContact N-OE2 2.82Å
274Y98.4Very high98Very high78 Ų7857.1 Ų57.131%0.30632%0.322SS..BIsolated β-bridgetrans-111.8150.3-166.1-54.7-74.9000112.9S248 Q249 M250 P251 G276 E277S248-Y274 WeakPolarHBondContact O-CB 3.48Å; Q249-Y274 WeakPolarHBondContact O-CD1 3.47Å; M250-Y274 CarbonylContact O-C 3.6Å; M250-Y274 WeakPolarHBondContact O-CA 3.27Å; P251-Y274 HydrophobicContact CG-CD1 4.38Å; P251-Y274 HydrophobicContact CG-CE1 4.18Å; Y274-G276 VanDerWaalsContact C-N 3.28Å; Y274-G276 PolarHBondContact O-N 3.03Å; Y274-E277 WeakPolarHBondContact CD2-OE2 3.44Å; Y274-E277 PolarHBondContact N-OE2 2.72Å; Y274-E277 PolarHBondContact O-N 3.15Å
275M98.1Very high98Very high0 Ų058.7 Ų58.70%032%0.32CS..G310 helixtrans-64.6-30.9-174.5-16668-170.800113F247 M250 I252 I255 L258 E277 L278 M301 C302F247-M275 HydrophobicContact CB-CB 4.08Å; F247-M275 HydrophobicContact CD1-CB 4.37Å; F247-M275 HydrophobicContact CD2-CB 4.05Å; F247-M275 HydrophobicContact CD2-CG 3.61Å; F247-M275 HydrophobicContact CE2-CG 3.79Å; F247-M275 HydrophobicContact CG-CB 3.93Å; F247-M275 HydrophobicContact CG-CG 4Å; F247-M275 HydrophobicContact CZ-CG 4.31Å; M250-M275 HydrophobicContact CB-CB 4.42Å; M250-M275 PolarHBondContact O-N 2.81Å; I252-M275 HydrophobicContact CG1-SD 4.47Å; I255-M275 HydrophobicContact CD1-CG 4.38Å; I255-M275 HydrophobicContact CG1-CB 4.4Å; I255-M275 HydrophobicContact CG1-CG 4.07Å; I255-M275 HydrophobicContact CG1-SD 3.78Å; L258-M275 HydrophobicContact CD1-CE 4.47Å; L258-M275 HydrophobicContact CD1-SD 4.25Å; M275-E277 VanDerWaalsContact C-N 3.34Å; M275-E277 PolarHBondContact O-N 3.41Å; M275-L278 HydrophobicContact CE-CD1 3.98Å; M275-L278 WeakPolarHBondContact O-CB 3.37Å; M275-L278 PolarHBondContact O-N 2.77Å; M275-L278 HydrophobicContact SD-CD1 3.72Å; M275-M301 HydrophobicContact CE-CB 3.86Å; M275-M301 HydrophobicContact CE-CG 3.66Å; M275-C302 HydrophobicContact CE-CB 3.99Å; M275-C302 WeakPolarHBondContact O-CB 3.49Å
276G97.2Very high98.1Very high16 Ų1656.7 Ų56.717%0.16531%0.306CS..G310 helixtrans-67.6-31.3179.100000113.5F247 Y274 L278 T279F247-G276 PolarHBondContact O-N 2.85Å; Y274-G276 VanDerWaalsContact C-N 3.28Å; Y274-G276 PolarHBondContact O-N 3.03Å; G276-L278 PolarHBondContact O-N 3.19Å; G276-T279 WeakPolarHBondContact O-CB 3.32Å; G276-T279 WeakPolarHBondContact O-CG2 3.36Å; G276-T279 PolarHBondContact O-N 3.04Å; G276-T279 VanDerWaalsContact O-N 3.07Å; G276-T279 PolarHBondContact O-OG1 3.27Å
277E98.4Very high98.1Very high64 Ų6459.3 Ų59.330%0.29932%0.318SS..G310 helixtrans-63.5-24.5178.9-61.3179.879.400112.4V272 E273 Y274 M275 T279 Q280V272-E277 HydrophobicContact CB-CB 3.87Å; V272-E277 HydrophobicContact CB-CG 4.45Å; V272-E277 HydrophobicContact CG1-CB 3.78Å; E273-E277 PolarHBondContact N-OE2 2.82Å; Y274-E277 WeakPolarHBondContact CD2-OE2 3.44Å; Y274-E277 PolarHBondContact N-OE2 2.72Å; Y274-E277 PolarHBondContact O-N 3.15Å; M275-E277 VanDerWaalsContact C-N 3.34Å; M275-E277 PolarHBondContact O-N 3.41Å; E277-T279 PolarHBondContact O-N 2.85Å; E277-T279 VanDerWaalsContact O-N 3.14Å; E277-Q280 VanDerWaalsContact O-CG 3.28Å; E277-Q280 WeakPolarHBondContact O-CG 3.43Å; E277-Q280 PolarHBondContact O-N 3.15Å; E277-Q280 PolarHBondContact O-NE2 2.72Å
278L98Very high98.1Very high0 Ų061 Ų610%034%0.335CS..G310 helixtrans-66.6-11.6176.4-62.7179.6000113.4I252 V266 L270 V272 M275 G276 Q280 F281 L298 C302I252-L278 HydrophobicContact CD1-CD1 4.42Å; I252-L278 HydrophobicContact CD1-CD2 4.46Å; I252-L278 HydrophobicContact CD1-CG 4.41Å; V266-L278 HydrophobicContact CG1-CD1 4.28Å; V266-L278 HydrophobicContact CG1-CD2 3.71Å; L270-L278 HydrophobicContact CD1-CD2 3.47Å; L270-L278 VanDerWaalsContact CD1-CD2 3.47Å; V272-L278 HydrophobicContact CG2-CD2 3.94Å; M275-L278 HydrophobicContact CE-CD1 3.98Å; M275-L278 WeakPolarHBondContact O-CB 3.37Å; M275-L278 PolarHBondContact O-N 2.77Å; M275-L278 HydrophobicContact SD-CD1 3.72Å; G276-L278 PolarHBondContact O-N 3.19Å; L278-Q280 VanDerWaalsContact C-N 3.29Å; L278-Q280 PolarHBondContact O-N 3.08Å; L278-F281 HydrophobicContact CD2-CD2 4.47Å; L278-L298 HydrophobicContact CD1-CD2 4.1Å; L278-C302 HydrophobicContact CB-CB 3.6Å; L278-C302 HydrophobicContact CD1-CB 4.45Å
279T97.8Very high98Very high60 Ų6058.5 Ų58.537%0.36832%0.323SS..G310 helixtrans-70.8-23.4177.260.10000113.2G276 E277 F281 C302 R303G276-T279 WeakPolarHBondContact O-CB 3.32Å; G276-T279 WeakPolarHBondContact O-CG2 3.36Å; G276-T279 PolarHBondContact O-N 3.04Å; G276-T279 VanDerWaalsContact O-N 3.07Å; G276-T279 PolarHBondContact O-OG1 3.27Å; E277-T279 PolarHBondContact O-N 2.85Å; E277-T279 VanDerWaalsContact O-N 3.14Å; T279-F281 VanDerWaalsContact C-N 3.28Å; T279-F281 PolarHBondContact O-N 2.97Å; T279-C302 HydrophobicContact CG2-CB 4.19Å; T279-R303 HydrophobicContact CG2-CG 4.19Å; T279-R303 PolarHBondContact O-NH2 3.39Å
280Q97.9Very high98Very high131 Ų13155.5 Ų55.561%0.61231%0.307SS*.G310 helixtrans-72.1-18.9-179.981.4-165-6600113.8E277 L278E277-Q280 VanDerWaalsContact O-CG 3.28Å; E277-Q280 WeakPolarHBondContact O-CG 3.43Å; E277-Q280 PolarHBondContact O-N 3.15Å; E277-Q280 PolarHBondContact O-NE2 2.72Å; L278-Q280 VanDerWaalsContact C-N 3.29Å; L278-Q280 PolarHBondContact O-N 3.08Å
281F98.4Very high98Very high34 Ų3456.1 Ų56.115%0.14932%0.319CS..SBendtrans-90.1141.9179.4-55-81.9000111.4L270 V272 L278 T279 L286 Y299L270-F281 HydrophobicContact CB-CE1 4.47Å; L270-F281 HydrophobicContact CB-CE2 4.12Å; L270-F281 HydrophobicContact CB-CZ 3.82Å; L270-F281 HydrophobicContact CD1-CD2 4.04Å; L270-F281 HydrophobicContact CD1-CE2 3.87Å; L270-F281 HydrophobicContact CD1-CZ 4.24Å; L270-F281 HydrophobicContact CD2-CD1 4.28Å; L270-F281 HydrophobicContact CD2-CE1 4Å; L270-F281 HydrophobicContact CD2-CZ 4.15Å; L270-F281 HydrophobicContact CG-CE2 4.41Å; L270-F281 HydrophobicContact CG-CZ 4.29Å; V272-F281 HydrophobicContact CG1-CE2 4.12Å; V272-F281 HydrophobicContact CG1-CZ 4.3Å; L278-F281 HydrophobicContact CD2-CD2 4.47Å; T279-F281 VanDerWaalsContact C-N 3.28Å; T279-F281 PolarHBondContact O-N 2.97Å; F281-L286 HydrophobicContact CB-CD1 4.29Å; F281-L286 HydrophobicContact CB-CD2 3.93Å; F281-L286 HydrophobicContact CB-CG 3.93Å; F281-L286 HydrophobicContact CD2-CD2 4.4Å; F281-L286 HydrophobicContact CG-CD2 4.27Å; F281-Y299 WeakPolarHBondContact O-CE2 3.17Å
282T98.4Very high98Very high75 Ų7560.3 Ų60.346%0.4632%0.321SS..  trans-70.4156.8169.863.80000111.1S284 Q285 L286T282-S284 VanDerWaalsContact C-N 3.28Å; T282-S284 PolarHBondContact O-N 3.36Å; T282-Q285 PolarHBondContact O-N 3.01Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.47Å; T282-Q285 PolarHBondContact OG1-N 3.28Å; T282-Q285 PolarHBondContact OG1-OE1 3.26Å; T282-L286 PolarHBondContact O-N 3.42Å
283E98.3Very high97.9Very high71 Ų7168.3 Ų68.333%0.33236%0.355SS..Hα-helixtrans-56.3-44.5177.2-168.5175.4175.300111.4Q285 L286 Q287 S296 Y299E283-Q285 VanDerWaalsContact C-N 3.32Å; E283-Q285 PolarHBondContact O-N 2.95Å; E283-L286 CarbonylContact O-C 3.58Å; E283-L286 PolarHBondContact O-N 3.33Å; E283-L286 VanDerWaalsContact O-N 3.08Å; E283-Q287 HydrophobicContact CG-CG 4.25Å; E283-Q287 WeakPolarHBondContact O-CB 3.49Å; E283-Q287 VanDerWaalsContact O-CG 3.25Å; E283-Q287 WeakPolarHBondContact O-CG 3.39Å; E283-Q287 PolarHBondContact O-N 2.71Å; E283-Q287 PolarHBondContact OE1-NE2 2.63Å; E283-S296 WeakPolarHBondContact OE1-CA 3.33Å; E283-S296 WeakPolarHBondContact OE1-CB 3.41Å; E283-S296 PolarHBondContact OE1-OG 3Å; E283-Y299 HydrophobicContact CB-CD1 3.94Å; E283-Y299 HydrophobicContact CB-CD2 3.84Å; E283-Y299 HydrophobicContact CB-CE1 4.34Å; E283-Y299 HydrophobicContact CB-CE2 4.23Å; E283-Y299 HydrophobicContact CB-CG 3.69Å; E283-Y299 HydrophobicContact CG-CD1 4.13Å; E283-Y299 HydrophobicContact CG-CG 3.96Å; E283-Y299 VanDerWaalsContact N-CD2 3.34Å
284S98.3Very high97.9Very high81 Ų8166 Ų6657%0.56635%0.347SS*.Hα-helixtrans-63.6-31.1-180-520000114T282 S288T282-S284 VanDerWaalsContact C-N 3.28Å; T282-S284 PolarHBondContact O-N 3.36Å; S284-S288 WeakPolarHBondContact O-CB 3.34Å; S284-S288 PolarHBondContact O-N 3.49Å; S284-S288 PolarHBondContact O-OG 3.11Å
285Q98.3Very high97.9Very high85 Ų8562.3 Ų62.340%0.39733%0.332SS..Hα-helixtrans-69-41.6171.8-74.3164.4-62.400111.4T282 E283 Q287 S288 H289T282-Q285 PolarHBondContact O-N 3.01Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.47Å; T282-Q285 PolarHBondContact OG1-N 3.28Å; T282-Q285 PolarHBondContact OG1-OE1 3.26Å; E283-Q285 VanDerWaalsContact C-N 3.32Å; E283-Q285 PolarHBondContact O-N 2.95Å; Q285-Q287 VanDerWaalsContact C-N 3.32Å; Q285-S288 PolarHBondContact O-N 2.76Å; Q285-S288 PolarHBondContact O-OG 3.16Å; Q285-H289 PolarHBondContact O-CD2 3.4Å; Q285-H289 PolarHBondContact O-N 3.27Å
286L98.3Very high97.9Very high0 Ų064 Ų640%034%0.344CS..Hα-helixtrans-69.4-33.4176.5-61.4174.9000111.3L270 F281 T282 E283 F290 G295 L298 Y299L270-L286 HydrophobicContact CD1-CD2 3.69Å; F281-L286 HydrophobicContact CB-CD1 4.29Å; F281-L286 HydrophobicContact CB-CD2 3.93Å; F281-L286 HydrophobicContact CB-CG 3.93Å; F281-L286 HydrophobicContact CD2-CD2 4.4Å; F281-L286 HydrophobicContact CG-CD2 4.27Å; T282-L286 PolarHBondContact O-N 3.42Å; E283-L286 CarbonylContact O-C 3.58Å; E283-L286 PolarHBondContact O-N 3.33Å; E283-L286 VanDerWaalsContact O-N 3.08Å; L286-F290 HydrophobicContact CD2-CD2 4.39Å; L286-F290 HydrophobicContact CD2-CE2 4.05Å; L286-F290 WeakPolarHBondContact O-CB 3.27Å; L286-F290 VanDerWaalsContact O-CD2 3.23Å; L286-F290 WeakPolarHBondContact O-CD2 3.36Å; L286-F290 PolarHBondContact O-N 3.36Å; L286-G295 WeakPolarHBondContact O-CA 3.31Å; L286-L298 HydrophobicContact CD1-CB 4.13Å; L286-Y299 HydrophobicContact CD1-CD2 4.28Å
287Q98.4Very high97.9Very high54 Ų5465.7 Ų65.725%0.25235%0.346SS..Hα-helixtrans-68-39.6174.5-70174-24.700112.5E283 Q285 G291 S296E283-Q287 HydrophobicContact CG-CG 4.25Å; E283-Q287 WeakPolarHBondContact O-CB 3.49Å; E283-Q287 VanDerWaalsContact O-CG 3.25Å; E283-Q287 WeakPolarHBondContact O-CG 3.39Å; E283-Q287 PolarHBondContact O-N 2.71Å; E283-Q287 PolarHBondContact OE1-NE2 2.63Å; Q285-Q287 VanDerWaalsContact C-N 3.32Å; Q287-G291 CarbonylContact O-C 3.55Å; Q287-G291 WeakPolarHBondContact O-CA 3.47Å; Q287-G291 PolarHBondContact O-N 3.4Å; Q287-S296 PolarHBondContact NE2-OG 2.69Å
288S98.3Very high97.9Very high92 Ų9262.7 Ų62.764%0.64333%0.331SS*.Hα-helixtrans-69.4-34.9-179.567.10000113S284 Q285S284-S288 WeakPolarHBondContact O-CB 3.34Å; S284-S288 PolarHBondContact O-N 3.49Å; S284-S288 PolarHBondContact O-OG 3.11Å; Q285-S288 PolarHBondContact O-N 2.76Å; Q285-S288 PolarHBondContact O-OG 3.16Å
289H97Very high97.9Very high100 Ų10065.5 Ų65.546%0.46334%0.343SS..Hα-helixtrans-82.4-38.7178.2-70.1-62.7000113.9I269 Q285I269-H289 HydrophobicContact CG2-CB 4.18Å; I269-H289 WeakPolarHBondContact CG2-ND1 3.47Å; Q285-H289 PolarHBondContact O-CD2 3.4Å; Q285-H289 PolarHBondContact O-N 3.27Å
290F97.4Very high97.9Very high18 Ų1863.8 Ų63.88%0.07934%0.335CS..Hα-helixtrans-112.9-2-170.5-50.7-64.5000114.4L262 V266 I269 L270 L286 N294 L298L262-F290 HydrophobicContact CD1-CB 4.39Å; L262-F290 HydrophobicContact CD1-CD1 4.08Å; L262-F290 HydrophobicContact CD1-CG 4.48Å; V266-F290 HydrophobicContact CB-CE1 4.3Å; V266-F290 HydrophobicContact CB-CZ 4.16Å; V266-F290 HydrophobicContact CG2-CD1 3.96Å; V266-F290 HydrophobicContact CG2-CD2 4.35Å; V266-F290 HydrophobicContact CG2-CE1 3.63Å; V266-F290 HydrophobicContact CG2-CE2 4.07Å; V266-F290 HydrophobicContact CG2-CG 4.33Å; V266-F290 HydrophobicContact CG2-CZ 3.72Å; I269-F290 HydrophobicContact CB-CE1 4.49Å; I269-F290 HydrophobicContact CB-CZ 4.33Å; I269-F290 HydrophobicContact CD1-CE1 4.12Å; I269-F290 HydrophobicContact CG2-CZ 4.44Å; L270-F290 HydrophobicContact CD1-CE2 3.97Å; L270-F290 HydrophobicContact CD1-CZ 4.19Å; L270-F290 HydrophobicContact CD2-CE2 4.31Å; L270-F290 HydrophobicContact CD2-CZ 4.36Å; L270-F290 HydrophobicContact CG-CE2 4.18Å; L270-F290 HydrophobicContact CG-CZ 4.02Å; L286-F290 HydrophobicContact CD2-CD2 4.39Å; L286-F290 HydrophobicContact CD2-CE2 4.05Å; L286-F290 WeakPolarHBondContact O-CB 3.27Å; L286-F290 VanDerWaalsContact O-CD2 3.23Å; L286-F290 WeakPolarHBondContact O-CD2 3.36Å; L286-F290 PolarHBondContact O-N 3.36Å; F290-N294 HydrophobicContact CB-CB 3.85Å; F290-N294 WeakPolarHBondContact O-CB 3.29Å; F290-N294 PolarHBondContact O-ND2 3.43Å; F290-L298 HydrophobicContact CB-CD1 4.29Å; F290-L298 HydrophobicContact CD2-CD1 3.56Å; F290-L298 HydrophobicContact CE2-CD1 4.19Å; F290-L298 HydrophobicContact CG-CD1 3.95Å
291G97.6Very high97.9Very high37 Ų3757.6 Ų57.638%0.38131%0.305SS..  trans82.8143.1-172.900000112.1Q287 K293 N294 G295Q287-G291 CarbonylContact O-C 3.55Å; Q287-G291 WeakPolarHBondContact O-CA 3.47Å; Q287-G291 PolarHBondContact O-N 3.4Å; G291-K293 PolarHBondContact O-N 3.42Å; G291-K293 VanDerWaalsContact O-N 3.11Å; G291-N294 PolarHBondContact O-N 3.46Å; G291-G295 PolarHBondContact O-N 3.43Å
292E97.3Very high97.9Very high154 Ų15456.1 Ų56.172%0.7230%0.3SS*.Hα-helixtrans-28.2-66-176.1-175.1-171.8-179.200113.9N294 G295 S296E292-N294 PolarHBondContact O-N 3.37Å; E292-G295 PolarHBondContact O-N 3.28Å; E292-S296 PolarHBondContact O-N 3.12Å; E292-S296 PolarHBondContact O-OG 2.73Å
293K96.7Very high97.9Very high175 Ų17556 Ų5676%0.76129%0.291SS*.Hα-helixtrans-57.4-41.7-177-179.7179.7176.9-179.20114.1G291 W297G291-K293 PolarHBondContact O-N 3.42Å; G291-K293 VanDerWaalsContact O-N 3.11Å; K293-W297 VanDerWaalsContact O-CB 3.31Å; K293-W297 WeakPolarHBondContact O-CB 3.25Å; K293-W297 PolarHBondContact O-N 3.2Å
294N97.3Very high97.8Very high62 Ų6252.7 Ų52.733%0.33228%0.276SS..Hα-helixtrans-78-35.1-178.5-59.6-41.7000110.6F290 G291 E292 W297 L298F290-N294 HydrophobicContact CB-CB 3.85Å; F290-N294 WeakPolarHBondContact O-CB 3.29Å; F290-N294 PolarHBondContact O-ND2 3.43Å; G291-N294 PolarHBondContact O-N 3.46Å; E292-N294 PolarHBondContact O-N 3.37Å; N294-W297 PolarHBondContact O-N 2.94Å; N294-L298 WeakPolarHBondContact O-CB 3.25Å; N294-L298 VanDerWaalsContact O-CG 3.24Å; N294-L298 WeakPolarHBondContact O-CG 3.37Å; N294-L298 PolarHBondContact O-N 3.39Å
295G97.9Very high97.8Very high0 Ų049.9 Ų49.90%025%0.254CS..Hα-helixtrans-61.7-53.1176.300000112.6L286 G291 E292 W297 L298 Y299L286-G295 WeakPolarHBondContact O-CA 3.31Å; G291-G295 PolarHBondContact O-N 3.43Å; E292-G295 PolarHBondContact O-N 3.28Å; G295-W297 VanDerWaalsContact C-N 3.32Å; G295-W297 PolarHBondContact O-N 3.29Å; G295-L298 PolarHBondContact O-N 3.33Å; G295-Y299 WeakPolarHBondContact O-CB 3.4Å; G295-Y299 PolarHBondContact O-N 2.91Å
296S97.9Very high97.8Very high36 Ų3646.5 Ų46.525%0.25224%0.238SC..Hα-helixtrans-58.9-41.6174.4-62.70000112.3E283 Q287 E292 Y299 A300E283-S296 WeakPolarHBondContact OE1-CA 3.33Å; E283-S296 WeakPolarHBondContact OE1-CB 3.41Å; E283-S296 PolarHBondContact OE1-OG 3Å; Q287-S296 PolarHBondContact NE2-OG 2.69Å; E292-S296 PolarHBondContact O-N 3.12Å; E292-S296 PolarHBondContact O-OG 2.73Å; S296-Y299 PolarHBondContact O-N 3.38Å; S296-A300 WeakPolarHBondContact O-CB 3.22Å; S296-A300 PolarHBondContact O-N 3.3Å
297W98Very high97.7Very high51 Ų5152 Ų5219%0.19326%0.263CS..Hα-helixtrans-65.4-43.2176.5179.575.3000112.4V221 I255 R256 L258 K293 N294 G295 M301V221-W297 HydrophobicContact CG2-CZ2 4.35Å; I255-W297 HydrophobicContact CG2-CH2 4.23Å; R256-W297 WeakPolarHBondContact O-CH2 3.46Å; L258-W297 HydrophobicContact CD1-CH2 4.09Å; L258-W297 HydrophobicContact CD1-CZ3 3.93Å; L258-W297 HydrophobicContact CD2-CZ3 3.95Å; L258-W297 HydrophobicContact CG-CH2 4.01Å; L258-W297 HydrophobicContact CG-CZ3 3.89Å; K293-W297 VanDerWaalsContact O-CB 3.31Å; K293-W297 WeakPolarHBondContact O-CB 3.25Å; K293-W297 PolarHBondContact O-N 3.2Å; N294-W297 PolarHBondContact O-N 2.94Å; G295-W297 VanDerWaalsContact C-N 3.32Å; G295-W297 PolarHBondContact O-N 3.29Å; W297-M301 HydrophobicContact CD2-CB 4.42Å; W297-M301 HydrophobicContact CH2-CG 4.19Å; W297-M301 HydrophobicContact CZ2-CB 4.24Å; W297-M301 HydrophobicContact CZ2-CG 3.79Å; W297-M301 HydrophobicContact CZ2-SD 4.07Å; W297-M301 WeakPolarHBondContact O-CB 3.49Å; W297-M301 PolarHBondContact O-N 2.86Å
298L98.2Very high97.6Very high0 Ų052.4 Ų52.40%027%0.267CS..Hα-helixtrans-62.9-43.6175.8-74.9166.8000111.7L258 V266 L278 L286 F290 N294 G295 A300 M301 C302L258-L298 HydrophobicContact CD1-CD2 3.75Å; L258-L298 HydrophobicContact CD2-CD2 4.2Å; V266-L298 HydrophobicContact CG2-CD1 3.8Å; V266-L298 HydrophobicContact CG2-CD2 4.41Å; L278-L298 HydrophobicContact CD1-CD2 4.1Å; L286-L298 HydrophobicContact CD1-CB 4.13Å; F290-L298 HydrophobicContact CB-CD1 4.29Å; F290-L298 HydrophobicContact CD2-CD1 3.56Å; F290-L298 HydrophobicContact CE2-CD1 4.19Å; F290-L298 HydrophobicContact CG-CD1 3.95Å; N294-L298 WeakPolarHBondContact O-CB 3.25Å; N294-L298 VanDerWaalsContact O-CG 3.24Å; N294-L298 WeakPolarHBondContact O-CG 3.37Å; N294-L298 PolarHBondContact O-N 3.39Å; G295-L298 PolarHBondContact O-N 3.33Å; L298-A300 PolarHBondContact O-N 3.23Å; L298-M301 PolarHBondContact O-N 2.84Å; L298-C302 PolarHBondContact O-N 2.89Å; L298-C302 PolarHBondContact O-SG 3.46Å
299Y98.3Very high97.6Very high60 Ų6051.4 Ų51.424%0.23526%0.259CS..Hα-helixtrans-62.1-40.9-179.6-176.2-97.4000113F281 E283 L286 G295 S296 C302 R303F281-Y299 WeakPolarHBondContact O-CE2 3.17Å; E283-Y299 HydrophobicContact CB-CD1 3.94Å; E283-Y299 HydrophobicContact CB-CD2 3.84Å; E283-Y299 HydrophobicContact CB-CE1 4.34Å; E283-Y299 HydrophobicContact CB-CE2 4.23Å; E283-Y299 HydrophobicContact CB-CG 3.69Å; E283-Y299 HydrophobicContact CG-CD1 4.13Å; E283-Y299 HydrophobicContact CG-CG 3.96Å; E283-Y299 VanDerWaalsContact N-CD2 3.34Å; L286-Y299 HydrophobicContact CD1-CD2 4.28Å; G295-Y299 WeakPolarHBondContact O-CB 3.4Å; G295-Y299 PolarHBondContact O-N 2.91Å; S296-Y299 PolarHBondContact O-N 3.38Å; Y299-C302 PolarHBondContact O-SG 3.38Å; Y299-R303 VanDerWaalsContact CD2-NH1 3.25Å; Y299-R303 VanDerWaalsContact CE2-CZ 3.48Å; Y299-R303 PolarHBondContact O-NH1 3.22Å
300A98.1Very high97.6Very high24 Ų2447.2 Ų47.220%0.19824%0.24CC..Hα-helixtrans-72.8-46.817300000111.3S296 L298 C302 R303 G304 I305S296-A300 WeakPolarHBondContact O-CB 3.22Å; S296-A300 PolarHBondContact O-N 3.3Å; L298-A300 PolarHBondContact O-N 3.23Å; A300-C302 PolarHBondContact O-N 3.42Å; A300-R303 CarbonylContact O-C 3.5Å; A300-R303 WeakPolarHBondContact O-CA 3.48Å; A300-R303 WeakPolarHBondContact O-CB 3.48Å; A300-R303 PolarHBondContact O-N 2.88Å; A300-G304 PolarHBondContact O-N 2.94Å; A300-I305 CarbonylContact C-O 3.41Å; A300-I305 HydrophobicContact CB-CB 4.07Å; A300-I305 HydrophobicContact CB-CG2 4.22Å; A300-I305 WeakPolarHBondContact CB-O 3.17Å; A300-I305 WeakPolarHBondContact O-CB 3.25Å; A300-I305 PolarHBondContact O-N 3.21Å
301M97.8Very high97.6Very high0 Ų050 Ų500%025%0.252CS..Hα-helixtrans-65.7-36.1-172.5-170.170.5-101.500112.4V221 L222 F247 I255 M275 W297 L298 R303 G304 I305 E306V221-M301 HydrophobicContact CB-CE 3.87Å; V221-M301 HydrophobicContact CB-SD 3.47Å; V221-M301 WeakPolarHBondContact CB-SD 3.35Å; V221-M301 HydrophobicContact CG1-CE 3.89Å; V221-M301 HydrophobicContact CG1-CG 4.49Å; V221-M301 HydrophobicContact CG1-SD 3.53Å; V221-M301 VanDerWaalsContact CG1-SD 3.53Å; V221-M301 HydrophobicContact CG2-SD 3.65Å; L222-M301 HydrophobicContact CD2-CE 4.2Å; L222-M301 HydrophobicContact CG-CE 4.22Å; F247-M301 WeakPolarHBondContact CE2-O 3.42Å; F247-M301 HydrophobicContact CZ-CE 4.41Å; I255-M301 HydrophobicContact CG2-CG 4.37Å; M275-M301 HydrophobicContact CE-CB 3.86Å; M275-M301 HydrophobicContact CE-CG 3.66Å; W297-M301 HydrophobicContact CD2-CB 4.42Å; W297-M301 HydrophobicContact CH2-CG 4.19Å; W297-M301 HydrophobicContact CZ2-CB 4.24Å; W297-M301 HydrophobicContact CZ2-CG 3.79Å; W297-M301 HydrophobicContact CZ2-SD 4.07Å; W297-M301 WeakPolarHBondContact O-CB 3.49Å; W297-M301 PolarHBondContact O-N 2.86Å; L298-M301 PolarHBondContact O-N 2.84Å; M301-R303 PolarHBondContact O-N 3.39Å; M301-G304 PolarHBondContact O-N 3.39Å; M301-I305 WeakPolarHBondContact CA-O 3.4Å; M301-I305 PolarHBondContact N-O 3.12Å; M301-E306 HydrophobicContact SD-CB 3.98Å; M301-E306 HydrophobicContact SD-CG 4.5Å
302C97.8Very high97.6Very high4 Ų453.6 Ų53.63%0.02727%0.269CS..THydrogen-bonded Turntrans-67.1-15175.866.90000113.8M275 L278 T279 L298 Y299 A300M275-C302 HydrophobicContact CE-CB 3.99Å; M275-C302 WeakPolarHBondContact O-CB 3.49Å; L278-C302 HydrophobicContact CB-CB 3.6Å; L278-C302 HydrophobicContact CD1-CB 4.45Å; T279-C302 HydrophobicContact CG2-CB 4.19Å; L298-C302 PolarHBondContact O-N 2.89Å; L298-C302 PolarHBondContact O-SG 3.46Å; Y299-C302 PolarHBondContact O-SG 3.38Å; A300-C302 PolarHBondContact O-N 3.42Å
303R98.2Very high97.5Very high73 Ų7348.9 Ų48.928%0.27524%0.244SC..THydrogen-bonded Turntrans-98.810.7172.5-63.5167.7172.9766.4112.2H240 T279 Y299 A300 M301 I305H240-R303 PolarHBondContact CE1-O 3.46Å; T279-R303 HydrophobicContact CG2-CG 4.19Å; T279-R303 PolarHBondContact O-NH2 3.39Å; Y299-R303 VanDerWaalsContact CD2-NH1 3.25Å; Y299-R303 VanDerWaalsContact CE2-CZ 3.48Å; Y299-R303 PolarHBondContact O-NH1 3.22Å; A300-R303 CarbonylContact O-C 3.5Å; A300-R303 WeakPolarHBondContact O-CA 3.48Å; A300-R303 WeakPolarHBondContact O-CB 3.48Å; A300-R303 PolarHBondContact O-N 2.88Å; M301-R303 PolarHBondContact O-N 3.39Å; R303-I305 VanDerWaalsContact C-N 3.33Å; R303-I305 HydrophobicContact CB-CD1 4.44Å; R303-I305 HydrophobicContact CB-CG1 4.46Å
304G97.8Very high97.3Very high1 Ų143.9 Ų43.91%0.0122%0.224CC..THydrogen-bonded Turntrans80.25.5-178.700000115N219 L222 A300 M301N219-G304 PolarHBondContact ND2-O 3.39Å; L222-G304 WeakPolarHBondContact CD1-O 3.36Å; A300-G304 PolarHBondContact O-N 2.94Å; M301-G304 PolarHBondContact O-N 3.39Å
305I98.3Very high97.2Very high22 Ų2243.9 Ų43.911%0.11322%0.223CC..  trans-97.7126.4-170.8-56.9178000110.6A2 A300 M301 R303 H307A2-I305 WeakPolarHBondContact O-CD1 3.27Å; A300-I305 CarbonylContact C-O 3.41Å; A300-I305 HydrophobicContact CB-CB 4.07Å; A300-I305 HydrophobicContact CB-CG2 4.22Å; A300-I305 WeakPolarHBondContact CB-O 3.17Å; A300-I305 WeakPolarHBondContact O-CB 3.25Å; A300-I305 PolarHBondContact O-N 3.21Å; M301-I305 WeakPolarHBondContact CA-O 3.4Å; M301-I305 PolarHBondContact N-O 3.12Å; R303-I305 VanDerWaalsContact C-N 3.33Å; R303-I305 HydrophobicContact CB-CD1 4.44Å; R303-I305 HydrophobicContact CB-CG1 4.46Å; I305-H307 VanDerWaalsContact CG2-NE2 3.35Å; I305-H307 WeakPolarHBondContact CG2-NE2 3.34Å
306E97.3Very high97.1Very high13 Ų1345.9 Ų45.96%0.06124%0.236CC..  trans-148145.6171.7-176-104.6-133.300110.1R7 N219 V221 M301 D308R7-E306 PolarHBondContact NH2-O 3.34Å; R7-E306 IonicContact NH2-OE2 2.65Å; N219-E306 HydrophobicContact CB-CB 3.93Å; N219-E306 WeakPolarHBondContact CB-O 3.15Å; V221-E306 HydrophobicContact CG2-CG 4.08Å; M301-E306 HydrophobicContact SD-CB 3.98Å; M301-E306 HydrophobicContact SD-CG 4.5Å; E306-D308 WeakPolarHBondContact OE1-CB 3.33Å; E306-D308 PolarHBondContact OE2-N 2.97Å
307H96.2Very high97.1Very high116 Ų11651.5 Ų51.554%0.53726%0.256SS..  trans-12624-172.4-55.2-63.7000113.7I305 P309I305-H307 VanDerWaalsContact CG2-NE2 3.35Å; I305-H307 WeakPolarHBondContact CG2-NE2 3.34Å; H307-P309 WeakPolarHBondContact O-CD 3.37Å
308D96.4Very high97.1Very high62 Ų6252.5 Ų52.533%0.33227%0.268SS..  trans-78.2117.8174.6-165.453.3000108.9R7 K220 E306 K311R7-D308 PolarHBondContact NH1-O 2.65Å; K220-D308 VanDerWaalsContact CE-O 3.25Å; K220-D308 WeakPolarHBondContact CE-O 3.37Å; K220-D308 VanDerWaalsContact CE-OD2 3.27Å; K220-D308 WeakPolarHBondContact CE-OD2 3.28Å; K220-D308 IonicContact NZ-OD2 2.77Å; K220-D308 PolarHBondContact NZ-OD2 2.98Å; E306-D308 WeakPolarHBondContact OE1-CB 3.33Å; E306-D308 PolarHBondContact OE2-N 2.97Å; D308-K311 IonicContact OD1-NZ 3.9Å; D308-K311 PolarHBondContact OD1-NZ 3.29Å; D308-K311 IonicContact OD2-NZ 2.68Å; D308-K311 PolarHBondContact OD2-NZ 2.92Å
309P97.4Very high97.1Very high72 Ų7253 Ų5347%0.46827%0.27SS..  trans-68.8146.8-17627.2-34.8000110.9K220 H307 K311K220-P309 PolarHBondContact NZ-O 3.09Å; H307-P309 WeakPolarHBondContact O-CD 3.37Å; P309-K311 PolarHBondContact O-N 2.9Å; P309-K311 VanDerWaalsContact O-N 3.08Å
310V98.3Very high97.1Very high11 Ų1151.1 Ų51.17%0.06727%0.269CS..  trans-63.2109.1165.5-178.10000106.8V9 E110 D120 K220V9-V310 HydrophobicContact CG1-CG2 4.06Å; V9-V310 HydrophobicContact CG2-CG2 4.42Å; E110-V310 HydrophobicContact CB-CG1 3.74Å; D120-V310 HydrophobicContact CB-CB 3.95Å; D120-V310 HydrophobicContact CB-CG1 4.43Å; D120-V310 HydrophobicContact CB-CG2 3.86Å; K220-V310 HydrophobicContact CD-CG2 3.95Å; K220-V310 HydrophobicContact CG-CG2 4.21Å
311K97.4Very high97.1Very high78 Ų7850 Ų5034%0.33926%0.26SS..  trans-80.5124.4-175-71.3128.4-171.9171.40110E110 D308 P309 R313E110-K311 WeakPolarHBondContact CA-O 3.18Å; E110-K311 WeakPolarHBondContact CB-O 3.15Å; E110-K311 HydrophobicContact CG-CB 4.3Å; E110-K311 PolarHBondContact OE2-N 3.14Å; D308-K311 IonicContact OD1-NZ 3.9Å; D308-K311 PolarHBondContact OD1-NZ 3.29Å; D308-K311 IonicContact OD2-NZ 2.68Å; D308-K311 PolarHBondContact OD2-NZ 2.92Å; P309-K311 PolarHBondContact O-N 2.9Å; P309-K311 VanDerWaalsContact O-N 3.08Å; K311-R313 VanDerWaalsContact O-CB 3.28Å; K311-R313 WeakPolarHBondContact O-CB 3.46Å; K311-R313 PolarHBondContact O-N 3.18Å
312P96.7Very high97.1Very high111 Ų11152.6 Ų52.672%0.72128%0.279SS*.SBendtrans-60.296.5-179.723.7-33.9000110.3V108V108-P312 HydrophobicContact CG1-CB 3.65Å
313R94.9Very high97.2Very high56 Ų5653.8 Ų53.821%0.21128%0.283CS..BIsolated β-bridgetrans-166.577-164.2-166.7-176.25564.5-0.6112I109 E110 R111 K311 L315I109-R313 CarbonylContact O-C 3.57Å; I109-R313 PolarHBondContact O-N 3.12Å; E110-R313 IonicContact OE1-CZ 3.86Å; E110-R313 IonicContact OE1-NE 2.77Å; E110-R313 IonicContact OE1-NH2 3.21Å; E110-R313 PolarHBondContact OE1-NH2 3.42Å; R111-R313 PolarHBondContact N-O 3.34Å; R111-R313 PolarHBondContact O-NH1 3.01Å; R111-R313 PolarHBondContact O-NH2 3.42Å; K311-R313 VanDerWaalsContact O-CB 3.28Å; K311-R313 WeakPolarHBondContact O-CB 3.46Å; K311-R313 PolarHBondContact O-N 3.18Å; R313-L315 VanDerWaalsContact C-N 3.34Å; R313-L315 WeakPolarHBondContact CG-O 3.38Å; R313-L315 PolarHBondContact NH1-O 3.3Å
314Q93.6Very high97.2Very high70 Ų7054.6 Ų54.633%0.32729%0.293SS..  trans-64.5-36.8166.8-173.8167.67.100112M100 I109 R111M100-Q314 HydrophobicContact CB-CG 4.24Å; M100-Q314 PolarHBondContact O-NE2 3.18Å; I109-Q314 HydrophobicContact CD1-CB 4.34Å; I109-Q314 HydrophobicContact CD1-CG 4.13Å; I109-Q314 HydrophobicContact CG1-CB 4.28Å; R111-Q314 VanDerWaalsContact CB-O 3.3Å; R111-Q314 WeakPolarHBondContact CB-O 3.45Å; R111-Q314 WeakPolarHBondContact CD-O 3.32Å
315L95.1Very high97.2Very high61 Ų6154.8 Ų54.832%0.31929%0.294SS..SBendtrans-87.6151.3-172.9-56.9-176.7000114.5R313 N359R313-L315 VanDerWaalsContact C-N 3.34Å; R313-L315 WeakPolarHBondContact CG-O 3.38Å; R313-L315 PolarHBondContact NH1-O 3.3Å; L315-N359 HydrophobicContact CD1-CB 3.76Å; L315-N359 WeakPolarHBondContact CD1-OD1 3.18Å; L315-N359 WeakPolarHBondContact CD2-OD1 3.34Å
316P96.6Very high97Very high43 Ų4358.1 Ų58.128%0.27932%0.317SS..  trans-68.5146.6168.530.2-34.4000111.2R361P316-R361 PolarHBondContact O-NH1 2.98Å; P316-R361 PolarHBondContact O-NH2 2.94Å
317K96.4Very high96.9Very high154 Ų15460.1 Ų60.167%0.6734%0.341SS*.SBendtrans-82.2-12.3176.6-63.6-164.6177.7-169.60114.3F429K317-F429 WeakPolarHBondContact O-CD2 3.41Å
318T98Very high96.8Very high71 Ų7165.1 Ų65.144%0.43636%0.361SS..  trans-147.8149.3-175.456.70000110.6A426 T427T318-A426 WeakPolarHBondContact CA-O 3.38Å; T318-T427 HydrophobicContact CG2-CG2 3.73Å
319I98.6Very high96.9Very high10 Ų1066.1 Ų66.15%0.05137%0.369CS..EExtended strand (participates in β ladder)trans-124.3115.1175.2-66.3-174000107.9L348 R351 L352 D355 C425 A426 F429I319-L348 HydrophobicContact CB-CD1 4.4Å; I319-L348 HydrophobicContact CG2-CD1 3.74Å; I319-L348 VanDerWaalsContact O-CD1 3.27Å; I319-L348 WeakPolarHBondContact O-CD1 3.27Å; I319-R351 HydrophobicContact CG2-CB 4.08Å; I319-L352 HydrophobicContact CB-CD2 4.32Å; I319-L352 HydrophobicContact CD1-CD2 4.31Å; I319-D355 HydrophobicContact CD1-CB 3.47Å; I319-D355 VanDerWaalsContact CD1-CB 3.47Å; I319-D355 WeakPolarHBondContact CD1-OD1 3.48Å; I319-C425 CarbonylContact O-C 3.56Å; I319-C425 WeakPolarHBondContact O-CA 3.2Å; I319-A426 PolarHBondContact N-O 2.99Å; I319-A426 PolarHBondContact O-N 3.39Å; I319-F429 HydrophobicContact CB-CZ 4.42Å; I319-F429 HydrophobicContact CD1-CZ 3.96Å; I319-F429 HydrophobicContact CG1-CE2 4.47Å; I319-F429 HydrophobicContact CG1-CZ 3.94Å
320G98.3Very high96.9Very high21 Ų2163.3 Ų63.322%0.21635%0.353CS..EExtended strand (participates in β ladder)trans-131.5154.7-17700000115.2R351 L424G320-R351 PolarHBondContact O-NH1 2.89Å; G320-R351 PolarHBondContact O-NH2 3.18Å; G320-L424 CarbonylContact C-O 3.59Å; G320-L424 WeakPolarHBondContact CA-O 3.29Å
321C98.4Very high96.9Very high1 Ų163 Ų631%0.00735%0.35CS..EExtended strand (participates in β ladder)trans-127.3120.8178.6-66.40000108.6L344 R351 F423 L424C321-L344 HydrophobicContact CB-CB 4.25Å; C321-L344 HydrophobicContact CB-CD2 3.93Å; C321-R351 PolarHBondContact SG-NH1 3.1Å; C321-F423 WeakPolarHBondContact O-CA 3.37Å; C321-F423 WeakPolarHBondContact O-CD2 3.41Å; C321-L424 PolarHBondContact N-O 3.44Å; C321-L424 PolarHBondContact O-N 3.49Å
322S98.4Very high96.9Very high55 Ų5561.4 Ų61.439%0.38535%0.352SS..EExtended strand (participates in β ladder)trans-126.3150.7-178.9-170.40000111.7K86 L422K86-S322 WeakPolarHBondContact CE-O 3.47Å; S322-L422 WeakPolarHBondContact CA-O 3.34Å
323K98.4Very high97Very high28 Ų2858.3 Ų58.312%0.12233%0.331CS..EExtended strand (participates in β ladder)trans-143.3136.1161.9-173.7176.4172.690.60110.5G85 K86 F325 W340 L344 M421 L422G85-K323 PolarHBondContact O-NZ 2.71Å; K86-K323 HydrophobicContact CB-CD 4.21Å; K323-F325 HydrophobicContact CB-CE2 4.22Å; K323-F325 HydrophobicContact CB-CZ 3.91Å; K323-F325 HydrophobicContact CD-CD1 4.38Å; K323-F325 HydrophobicContact CD-CE1 3.47Å; K323-F325 VanDerWaalsContact CD-CE1 3.47Å; K323-F325 HydrophobicContact CD-CZ 3.61Å; K323-F325 VanDerWaalsContact CE-CE1 3.45Å; K323-F325 HydrophobicContact CG-CE1 3.87Å; K323-F325 HydrophobicContact CG-CE2 4.32Å; K323-F325 HydrophobicContact CG-CZ 3.76Å; K323-F325 WeakPolarHBondContact O-CE2 3.23Å; K323-W340 HydrophobicContact CD-CD2 4.32Å; K323-W340 HydrophobicContact CD-CE3 3.75Å; K323-W340 HydrophobicContact CD-CH2 3.58Å; K323-W340 HydrophobicContact CD-CZ2 4.13Å; K323-W340 HydrophobicContact CD-CZ3 3.36Å; K323-L344 HydrophobicContact CB-CD2 4.39Å; K323-M421 WeakPolarHBondContact O-CA 3.46Å; K323-L422 PolarHBondContact N-O 3.32Å; K323-L422 PolarHBondContact O-N 3.1Å
324N97.9Very high97.1Very high91 Ų9158.6 Ų58.649%0.48733%0.332SS..EExtended strand (participates in β ladder)trans-90.5149.3168.1-77.4-32.1000110.5R371 T420 M421N324-R371 PolarHBondContact OD1-NH1 2.68Å; N324-R371 PolarHBondContact OD1-NH2 2.89Å; N324-T420 WeakPolarHBondContact CA-O 3.49Å; N324-M421 WeakPolarHBondContact OD1-CB 3.35Å; N324-M421 WeakPolarHBondContact OD1-CG 3.27Å
325F97.9Very high97.3Very high4 Ų459.2 Ų59.22%0.01834%0.335CS..  trans-127.878.6179.7-58.9-73.4000108.9K323 T329 L331 W340 T420 L422K323-F325 HydrophobicContact CB-CE2 4.22Å; K323-F325 HydrophobicContact CB-CZ 3.91Å; K323-F325 HydrophobicContact CD-CD1 4.38Å; K323-F325 HydrophobicContact CD-CE1 3.47Å; K323-F325 VanDerWaalsContact CD-CE1 3.47Å; K323-F325 HydrophobicContact CD-CZ 3.61Å; K323-F325 VanDerWaalsContact CE-CE1 3.45Å; K323-F325 HydrophobicContact CG-CE1 3.87Å; K323-F325 HydrophobicContact CG-CE2 4.32Å; K323-F325 HydrophobicContact CG-CZ 3.76Å; K323-F325 WeakPolarHBondContact O-CE2 3.23Å; F325-T329 VanDerWaalsContact C-OG1 3.27Å; F325-L331 HydrophobicContact CD1-CD2 3.67Å; F325-L331 HydrophobicContact CD1-CG 4.23Å; F325-L331 HydrophobicContact CD2-CD1 4.02Å; F325-L331 HydrophobicContact CD2-CD2 4.29Å; F325-L331 HydrophobicContact CD2-CG 3.93Å; F325-L331 HydrophobicContact CE1-CD1 4.45Å; F325-L331 HydrophobicContact CE1-CD2 3.85Å; F325-L331 HydrophobicContact CE1-CG 4.44Å; F325-L331 HydrophobicContact CE2-CD1 3.77Å; F325-L331 HydrophobicContact CE2-CD2 4.45Å; F325-L331 HydrophobicContact CE2-CG 4.17Å; F325-L331 HydrophobicContact CG-CD1 4.47Å; F325-L331 HydrophobicContact CG-CD2 3.9Å; F325-L331 HydrophobicContact CG-CG 3.97Å; F325-L331 HydrophobicContact CZ-CD1 4Å; F325-L331 HydrophobicContact CZ-CD2 4.24Å; F325-L331 HydrophobicContact CZ-CG 4.41Å; F325-W340 AromaticContact CE1-CD1 3.8Å; F325-W340 AromaticContact CE1-CD2 3.63Å; F325-W340 HydrophobicContact CE1-CD2 3.63Å; F325-W340 AromaticContact CE1-CE2 3.41Å; F325-W340 VanDerWaalsContact CE1-CE2 3.41Å; F325-W340 HydrophobicContact CE1-CE3 4.27Å; F325-W340 AromaticContact CE1-CG 3.87Å; F325-W340 HydrophobicContact CE1-CG 3.87Å; F325-W340 AromaticContact CE1-CZ2 3.88Å; F325-W340 HydrophobicContact CE1-CZ2 3.88Å; F325-W340 AromaticContact CE1-NE1 3.52Å; F325-W340 HydrophobicContact CZ-CB 4.03Å; F325-W340 AromaticContact CZ-CD1 3.85Å; F325-W340 AromaticContact CZ-CD2 3.59Å; F325-W340 HydrophobicContact CZ-CD2 3.59Å; F325-W340 AromaticContact CZ-CE2 3.91Å; F325-W340 HydrophobicContact CZ-CE3 4.11Å; F325-W340 AromaticContact CZ-CG 3.56Å; F325-W340 HydrophobicContact CZ-CG 3.56Å; F325-T420 PolarHBondContact N-O 2.91Å; F325-T420 WeakPolarHBondContact O-CA 3.42Å; F325-L422 HydrophobicContact CE2-CB 4.12Å; F325-L422 HydrophobicContact CE2-CD1 4.16Å; F325-L422 HydrophobicContact CE2-CG 3.95Å
326P95.1Very high97.5Very high92 Ų9260.2 Ų60.260%0.59734%0.338SS*.  trans-74.5146.4-173.430.3-35.8000113K328 T329P326-K328 PolarHBondContact O-N 2.95Å; P326-T329 VanDerWaalsContact CD-OG1 3.3Å; P326-T329 WeakPolarHBondContact CD-OG1 3.45Å; P326-T329 VanDerWaalsContact N-OG1 3.16Å; P326-T329 PolarHBondContact O-N 2.85Å; P326-T329 VanDerWaalsContact O-N 3.08Å; P326-T329 PolarHBondContact O-OG1 2.78Å
327G94.7Very high97.6Very high55 Ų5558.2 Ų58.257%0.56733%0.325SS*.G310 helixtrans52.7-127.5171.700000113.2T329 A330G327-T329 PolarHBondContact O-N 2.81Å; G327-A330 PolarHBondContact O-N 2.89Å
328K95.1Very high97.7Very high221 Ų22154 Ų5496%0.96131%0.307SS*.G310 helixtrans-65.2-4.6-178.8-59.8-173.7-179.4-176.80114.8P326P326-K328 PolarHBondContact O-N 2.95Å
329T97Very high97.7Very high83 Ų8356.7 Ų56.751%0.50931%0.31SS..G310 helixtrans-94.4-0.1177.368.60000113.9F325 P326 G327F325-T329 VanDerWaalsContact C-OG1 3.27Å; P326-T329 VanDerWaalsContact CD-OG1 3.3Å; P326-T329 WeakPolarHBondContact CD-OG1 3.45Å; P326-T329 VanDerWaalsContact N-OG1 3.16Å; P326-T329 PolarHBondContact O-N 2.85Å; P326-T329 VanDerWaalsContact O-N 3.08Å; P326-T329 PolarHBondContact O-OG1 2.78Å; G327-T329 PolarHBondContact O-N 2.81Å
330A98.1Very high97.7Very high14 Ų1458 Ų5812%0.11631%0.314CS..SBendtrans-56.2140.617700000111.9G327 A332 P418 L419 T420G327-A330 PolarHBondContact O-N 2.89Å; A330-A332 PolarHBondContact O-N 3.2Å; A330-P418 HydrophobicContact CB-CB 3.8Å; A330-L419 CarbonylContact C-O 3.56Å; A330-L419 WeakPolarHBondContact CA-O 3.36Å; A330-T420 HydrophobicContact CB-CG2 4.12Å
331L98.3Very high97.8Very high4 Ų457 Ų572%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-78.4118.5-173.6-46.9-175.3000109.9F325 Q336 V337 W340 P418 L419 L422F325-L331 HydrophobicContact CD1-CD2 3.67Å; F325-L331 HydrophobicContact CD1-CG 4.23Å; F325-L331 HydrophobicContact CD2-CD1 4.02Å; F325-L331 HydrophobicContact CD2-CD2 4.29Å; F325-L331 HydrophobicContact CD2-CG 3.93Å; F325-L331 HydrophobicContact CE1-CD1 4.45Å; F325-L331 HydrophobicContact CE1-CD2 3.85Å; F325-L331 HydrophobicContact CE1-CG 4.44Å; F325-L331 HydrophobicContact CE2-CD1 3.77Å; F325-L331 HydrophobicContact CE2-CD2 4.45Å; F325-L331 HydrophobicContact CE2-CG 4.17Å; F325-L331 HydrophobicContact CG-CD1 4.47Å; F325-L331 HydrophobicContact CG-CD2 3.9Å; F325-L331 HydrophobicContact CG-CG 3.97Å; F325-L331 HydrophobicContact CZ-CD1 4Å; F325-L331 HydrophobicContact CZ-CD2 4.24Å; F325-L331 HydrophobicContact CZ-CG 4.41Å; L331-Q336 HydrophobicContact CB-CB 4.3Å; L331-Q336 HydrophobicContact CD2-CB 4.32Å; L331-V337 HydrophobicContact CB-CG2 3.82Å; L331-V337 HydrophobicContact CD1-CG2 4.13Å; L331-W340 HydrophobicContact CD1-CB 4.13Å; L331-W340 HydrophobicContact CD1-CG 4.17Å; L331-W340 VanDerWaalsContact CD2-CD1 3.45Å; L331-W340 HydrophobicContact CD2-CG 4.49Å; L331-P418 CarbonylContact O-C 3.59Å; L331-P418 VanDerWaalsContact O-CA 3.23Å; L331-P418 WeakPolarHBondContact O-CA 3.44Å; L331-L419 HydrophobicContact CB-CB 4.27Å; L331-L419 PolarHBondContact N-O 2.97Å; L331-L419 PolarHBondContact O-N 2.9Å; L331-L422 HydrophobicContact CD1-CD1 3.63Å; L331-L422 HydrophobicContact CD1-CG 4.14Å
332A97.8Very high97.8Very high44 Ų4458.5 Ų58.536%0.36431%0.312SS..EExtended strand (participates in β ladder)trans-121.66.8-17100000113.7A330 W415 P418A330-A332 PolarHBondContact O-N 3.2Å; A332-W415 WeakPolarHBondContact CA-O 3.5Å; A332-W415 PolarHBondContact O-N 3.46Å; A332-P418 HydrophobicContact CB-CB 4.37Å; A332-P418 HydrophobicContact CB-CG 4.22Å
333T98.3Very high97.8Very high46 Ų4656.9 Ų56.928%0.28230%0.298SS..EExtended strand (participates in β ladder)trans-134.2152.8174.154.60000110.8E335 Q336 V337 T413T333-E335 VanDerWaalsContact C-N 3.28Å; T333-E335 PolarHBondContact O-N 3.48Å; T333-Q336 PolarHBondContact O-N 2.8Å; T333-Q336 WeakPolarHBondContact OG1-CB 3.03Å; T333-Q336 WeakPolarHBondContact OG1-CG 3.43Å; T333-Q336 PolarHBondContact OG1-N 2.75Å; T333-Q336 PolarHBondContact OG1-OE1 2.92Å; T333-V337 WeakPolarHBondContact O-CG2 3.42Å; T333-V337 PolarHBondContact O-N 3.48Å; T333-T413 CarbonylContact C-O 3.52Å; T333-T413 VanDerWaalsContact CA-O 3.29Å; T333-T413 WeakPolarHBondContact CA-O 3.13Å; T333-T413 WeakPolarHBondContact CB-O 3.15Å
334R97.9Very high97.8Very high63 Ų6355.6 Ų55.624%0.23829%0.292CS..Hα-helixtrans-60-40.7178.3179.4177.357.679.2-1.7111.5V337 Q338 F400 Q412 T413R334-V337 PolarHBondContact O-N 2.87Å; R334-Q338 HydrophobicContact CG-CG 4.38Å; R334-Q338 WeakPolarHBondContact O-CB 3.31Å; R334-Q338 WeakPolarHBondContact O-CG 3.47Å; R334-Q338 PolarHBondContact O-N 2.79Å; R334-F400 HydrophobicContact CG-CE2 3.83Å; R334-F400 HydrophobicContact CG-CZ 3.66Å; R334-Q412 VanDerWaalsContact CD-O 3.28Å; R334-Q412 WeakPolarHBondContact CD-O 3.47Å; R334-Q412 PolarHBondContact NE-O 2.82Å; R334-T413 PolarHBondContact N-O 3.32Å
335E98.1Very high97.9Very high82 Ų8251.2 Ų51.238%0.38327%0.269SS..Hα-helixtrans-63-44-179.2-68.965.5-148.200111.1T333 V337 Q338 W339T333-E335 VanDerWaalsContact C-N 3.28Å; T333-E335 PolarHBondContact O-N 3.48Å; E335-V337 PolarHBondContact O-N 3.32Å; E335-Q338 PolarHBondContact O-N 2.89Å; E335-W339 VanDerWaalsContact O-CB 3.29Å; E335-W339 WeakPolarHBondContact O-CB 3.38Å; E335-W339 PolarHBondContact O-N 3.29Å
336Q98.3Very high97.9Very high83 Ų8353.8 Ų53.839%0.38828%0.281SS..Hα-helixtrans-60.6-44.3173.6-76.7166.9-12.300112L331 T333 W339 W340L331-Q336 HydrophobicContact CB-CB 4.3Å; L331-Q336 HydrophobicContact CD2-CB 4.32Å; T333-Q336 PolarHBondContact O-N 2.8Å; T333-Q336 WeakPolarHBondContact OG1-CB 3.03Å; T333-Q336 WeakPolarHBondContact OG1-CG 3.43Å; T333-Q336 PolarHBondContact OG1-N 2.75Å; T333-Q336 PolarHBondContact OG1-OE1 2.92Å; Q336-W339 PolarHBondContact O-N 2.85Å; Q336-W340 VanDerWaalsContact O-CD1 3.27Å; Q336-W340 PolarHBondContact O-N 3.41Å
337V98.5Very high98.1Very high0 Ų049.4 Ų49.40%025%0.253CS..Hα-helixtrans-63.8-46.8178.7175.50000110.7L331 T333 R334 E335 L341 F400 I403 W415 L419L331-V337 HydrophobicContact CB-CG2 3.82Å; L331-V337 HydrophobicContact CD1-CG2 4.13Å; T333-V337 WeakPolarHBondContact O-CG2 3.42Å; T333-V337 PolarHBondContact O-N 3.48Å; R334-V337 PolarHBondContact O-N 2.87Å; E335-V337 PolarHBondContact O-N 3.32Å; V337-L341 HydrophobicContact CG1-CD1 3.98Å; V337-L341 HydrophobicContact CG1-CG 4.44Å; V337-L341 WeakPolarHBondContact O-CB 3.34Å; V337-L341 VanDerWaalsContact O-CG 3.23Å; V337-L341 WeakPolarHBondContact O-CG 3.3Å; V337-L341 PolarHBondContact O-N 3.21Å; V337-F400 HydrophobicContact CG1-CD2 4.31Å; V337-I403 HydrophobicContact CG1-CD1 4.18Å; V337-W415 HydrophobicContact CB-CE3 4.33Å; V337-W415 HydrophobicContact CG1-CE3 4.38Å; V337-W415 HydrophobicContact CG1-CZ3 4.25Å; V337-W415 HydrophobicContact CG2-CB 4.41Å; V337-W415 HydrophobicContact CG2-CD2 3.93Å; V337-W415 HydrophobicContact CG2-CE3 4.04Å; V337-W415 HydrophobicContact CG2-CG 4.07Å; V337-L419 HydrophobicContact CG1-CD1 4.14Å; V337-L419 HydrophobicContact CG2-CD1 3.9Å; V337-L419 HydrophobicContact CG2-CG 4.45Å
338Q98.6Very high98.3Very high66 Ų6646.8 Ų46.831%0.30823%0.226SC..Hα-helixtrans-63.2-42.7177.9-72.2178.2-32.900112.2R334 E335 L341 L342 F400R334-Q338 HydrophobicContact CG-CG 4.38Å; R334-Q338 WeakPolarHBondContact O-CB 3.31Å; R334-Q338 WeakPolarHBondContact O-CG 3.47Å; R334-Q338 PolarHBondContact O-N 2.79Å; E335-Q338 PolarHBondContact O-N 2.89Å; Q338-L341 PolarHBondContact O-N 3.46Å; Q338-L342 PolarHBondContact O-N 2.64Å; Q338-F400 HydrophobicContact CG-CD1 4.48Å; Q338-F400 HydrophobicContact CG-CD2 3.46Å; Q338-F400 VanDerWaalsContact CG-CD2 3.46Å; Q338-F400 HydrophobicContact CG-CE2 3.62Å; Q338-F400 HydrophobicContact CG-CG 3.94Å; Q338-F400 HydrophobicContact CG-CZ 4.23Å; Q338-F400 VanDerWaalsContact NE2-CE1 3.29Å
339W98.7Very high98.4Very high128 Ų12839.4 Ų39.449%0.48519%0.194SC..Hα-helixtrans-62.8-46.5178.4-173.484.4000112.6E335 Q336 L342 Q343E335-W339 VanDerWaalsContact O-CB 3.29Å; E335-W339 WeakPolarHBondContact O-CB 3.38Å; E335-W339 PolarHBondContact O-N 3.29Å; Q336-W339 PolarHBondContact O-N 2.85Å; W339-L342 WeakPolarHBondContact O-CB 3.43Å; W339-L342 PolarHBondContact O-N 3.07Å; W339-Q343 HydrophobicContact CD2-CG 4.02Å; W339-Q343 HydrophobicContact CE3-CG 3.82Å; W339-Q343 HydrophobicContact CH2-CG 3.71Å; W339-Q343 HydrophobicContact CZ2-CG 3.9Å; W339-Q343 HydrophobicContact CZ3-CG 3.67Å; W339-Q343 WeakPolarHBondContact O-CG 3.42Å; W339-Q343 PolarHBondContact O-N 2.53Å; W339-Q343 PolarHBondContact O-NE2 3.48Å
340W98.8Very high98.5Very high37 Ų3739.4 Ų39.414%0.1419%0.188CC..Hα-helixtrans-70.3-32.9177.8-79.7113.3000113.3R84 G85 K323 F325 L331 Q336 L342 Q343 L344 L422R84-W340 WeakPolarHBondContact O-CZ3 3.39Å; G85-W340 VanDerWaalsContact O-CH2 3.27Å; G85-W340 WeakPolarHBondContact O-CH2 3.33Å; K323-W340 HydrophobicContact CD-CD2 4.32Å; K323-W340 HydrophobicContact CD-CE3 3.75Å; K323-W340 HydrophobicContact CD-CH2 3.58Å; K323-W340 HydrophobicContact CD-CZ2 4.13Å; K323-W340 HydrophobicContact CD-CZ3 3.36Å; F325-W340 AromaticContact CE1-CD1 3.8Å; F325-W340 AromaticContact CE1-CD2 3.63Å; F325-W340 HydrophobicContact CE1-CD2 3.63Å; F325-W340 AromaticContact CE1-CE2 3.41Å; F325-W340 VanDerWaalsContact CE1-CE2 3.41Å; F325-W340 HydrophobicContact CE1-CE3 4.27Å; F325-W340 AromaticContact CE1-CG 3.87Å; F325-W340 HydrophobicContact CE1-CG 3.87Å; F325-W340 AromaticContact CE1-CZ2 3.88Å; F325-W340 HydrophobicContact CE1-CZ2 3.88Å; F325-W340 AromaticContact CE1-NE1 3.52Å; F325-W340 HydrophobicContact CZ-CB 4.03Å; F325-W340 AromaticContact CZ-CD1 3.85Å; F325-W340 AromaticContact CZ-CD2 3.59Å; F325-W340 HydrophobicContact CZ-CD2 3.59Å; F325-W340 AromaticContact CZ-CE2 3.91Å; F325-W340 HydrophobicContact CZ-CE3 4.11Å; F325-W340 AromaticContact CZ-CG 3.56Å; F325-W340 HydrophobicContact CZ-CG 3.56Å; L331-W340 HydrophobicContact CD1-CB 4.13Å; L331-W340 HydrophobicContact CD1-CG 4.17Å; L331-W340 VanDerWaalsContact CD2-CD1 3.45Å; L331-W340 HydrophobicContact CD2-CG 4.49Å; Q336-W340 VanDerWaalsContact O-CD1 3.27Å; Q336-W340 PolarHBondContact O-N 3.41Å; W340-L342 VanDerWaalsContact C-N 3.3Å; W340-L342 PolarHBondContact O-N 3.42Å; W340-Q343 HydrophobicContact CE3-CB 4.06Å; W340-Q343 HydrophobicContact CE3-CG 4.07Å; W340-Q343 HydrophobicContact CZ3-CB 4.49Å; W340-Q343 HydrophobicContact CZ3-CG 4.4Å; W340-Q343 PolarHBondContact O-N 3.41Å; W340-L344 WeakPolarHBondContact O-CG 3.46Å; W340-L344 PolarHBondContact O-N 2.93Å; W340-L422 HydrophobicContact CB-CD1 3.67Å
341L98.8Very high98.5Very high1 Ų140.5 Ų40.51%0.00519%0.19CC..Hα-helixtrans-59.9-41.7170.1-75.6171.6000111V337 Q338 L344 A345 A399 F400 I403 L422 L424V337-L341 HydrophobicContact CG1-CD1 3.98Å; V337-L341 HydrophobicContact CG1-CG 4.44Å; V337-L341 WeakPolarHBondContact O-CB 3.34Å; V337-L341 VanDerWaalsContact O-CG 3.23Å; V337-L341 WeakPolarHBondContact O-CG 3.3Å; V337-L341 PolarHBondContact O-N 3.21Å; Q338-L341 PolarHBondContact O-N 3.46Å; L341-L344 PolarHBondContact O-N 3.24Å; L341-A345 VanDerWaalsContact O-CB 3.23Å; L341-A345 WeakPolarHBondContact O-CB 3.48Å; L341-A345 PolarHBondContact O-N 3.23Å; L341-A399 HydrophobicContact CD2-CB 4.07Å; L341-F400 HydrophobicContact CD1-CB 3.72Å; L341-F400 HydrophobicContact CD1-CD2 4.15Å; L341-F400 HydrophobicContact CD1-CG 4.46Å; L341-I403 HydrophobicContact CD1-CD1 4.25Å; L341-L422 HydrophobicContact CD2-CD1 4.26Å; L341-L422 HydrophobicContact CD2-CD2 4.38Å; L341-L422 HydrophobicContact CG-CD1 4.13Å; L341-L424 HydrophobicContact CD2-CD2 3.97Å; L341-L424 HydrophobicContact CD2-CG 4.46Å
342L98.8Very high98.5Very high32 Ų3240.3 Ų40.317%0.16819%0.189CC..Hα-helixtrans-64.6-43.8174.6-176.262.9000112.1Q338 W339 W340 L344 A345 Q346 A392Q338-L342 PolarHBondContact O-N 2.64Å; W339-L342 WeakPolarHBondContact O-CB 3.43Å; W339-L342 PolarHBondContact O-N 3.07Å; W340-L342 VanDerWaalsContact C-N 3.3Å; W340-L342 PolarHBondContact O-N 3.42Å; L342-L344 VanDerWaalsContact C-N 3.3Å; L342-L344 PolarHBondContact O-N 2.92Å; L342-A345 PolarHBondContact O-N 2.94Å; L342-Q346 HydrophobicContact CD1-CG 4.23Å; L342-Q346 HydrophobicContact CG-CG 4.45Å; L342-Q346 WeakPolarHBondContact O-CG 3.4Å; L342-Q346 PolarHBondContact O-N 3.26Å; L342-A392 HydrophobicContact CD1-CB 4.14Å
343Q98.8Very high98.6Very high21 Ų2140.3 Ų40.310%0.09818%0.184CC..Hα-helixtrans-58.9-40.7176.4-62.1-37.7-73.600112.3R84 W339 W340R84-Q343 HydrophobicContact CB-CB 4.09Å; R84-Q343 HydrophobicContact CB-CG 4.44Å; R84-Q343 WeakPolarHBondContact CD-O 3.3Å; W339-Q343 HydrophobicContact CD2-CG 4.02Å; W339-Q343 HydrophobicContact CE3-CG 3.82Å; W339-Q343 HydrophobicContact CH2-CG 3.71Å; W339-Q343 HydrophobicContact CZ2-CG 3.9Å; W339-Q343 HydrophobicContact CZ3-CG 3.67Å; W339-Q343 WeakPolarHBondContact O-CG 3.42Å; W339-Q343 PolarHBondContact O-N 2.53Å; W339-Q343 PolarHBondContact O-NE2 3.48Å; W340-Q343 HydrophobicContact CE3-CB 4.06Å; W340-Q343 HydrophobicContact CE3-CG 4.07Å; W340-Q343 HydrophobicContact CZ3-CB 4.49Å; W340-Q343 HydrophobicContact CZ3-CG 4.4Å; W340-Q343 PolarHBondContact O-N 3.41Å
344L98.8Very high98.6Very high0 Ų043.1 Ų43.10%019%0.193CC..Hα-helixtrans-71.2-38.2176.5-68.4174.1000112.3K86 C321 K323 W340 L341 L342 L348 L422 L424K86-L344 HydrophobicContact CD-CD2 3.69Å; C321-L344 HydrophobicContact CB-CB 4.25Å; C321-L344 HydrophobicContact CB-CD2 3.93Å; K323-L344 HydrophobicContact CB-CD2 4.39Å; W340-L344 WeakPolarHBondContact O-CG 3.46Å; W340-L344 PolarHBondContact O-N 2.93Å; L341-L344 PolarHBondContact O-N 3.24Å; L342-L344 VanDerWaalsContact C-N 3.3Å; L342-L344 PolarHBondContact O-N 2.92Å; L344-L348 WeakPolarHBondContact O-CB 3.45Å; L344-L348 PolarHBondContact O-N 3.22Å; L344-L348 VanDerWaalsContact O-N 3.08Å; L344-L422 HydrophobicContact CD1-CB 3.56Å; L344-L424 HydrophobicContact CB-CD1 3.8Å; L344-L424 HydrophobicContact CB-CG 4.14Å
345A98.8Very high98.6Very high0 Ų040.8 Ų40.80%019%0.185CC..Hα-helixtrans-68.4-36.6179.400000112.2L341 L342 L348 E349 A392 M395 L424L341-A345 VanDerWaalsContact O-CB 3.23Å; L341-A345 WeakPolarHBondContact O-CB 3.48Å; L341-A345 PolarHBondContact O-N 3.23Å; L342-A345 PolarHBondContact O-N 2.94Å; A345-L348 CarbonylContact O-C 3.58Å; A345-L348 WeakPolarHBondContact O-CB 3.31Å; A345-L348 PolarHBondContact O-N 3.11Å; A345-E349 WeakPolarHBondContact O-CB 3.41Å; A345-E349 PolarHBondContact O-N 3.28Å; A345-A392 HydrophobicContact CB-CB 3.9Å; A345-A392 WeakPolarHBondContact CB-O 3.41Å; A345-M395 HydrophobicContact CB-CB 4Å; A345-M395 WeakPolarHBondContact O-CE 3.12Å; A345-L424 HydrophobicContact CB-CD1 3.96Å
346Q98.8Very high98.5Very high57 Ų5741 Ų4127%0.26618%0.182SC..Hα-helixtrans-67.1-40.9176.7-72.2177.3-8.700113R84 L342 L348 E350 A392R84-Q346 VanDerWaalsContact NE-CB 3.33Å; L342-Q346 HydrophobicContact CD1-CG 4.23Å; L342-Q346 HydrophobicContact CG-CG 4.45Å; L342-Q346 WeakPolarHBondContact O-CG 3.4Å; L342-Q346 PolarHBondContact O-N 3.26Å; Q346-L348 VanDerWaalsContact C-N 3.27Å; Q346-L348 PolarHBondContact O-N 3.47Å; Q346-E350 WeakPolarHBondContact O-CB 3.35Å; Q346-E350 PolarHBondContact O-N 3.37Å; Q346-E350 VanDerWaalsContact O-N 3.12Å; Q346-A392 HydrophobicContact CB-CB 4.23Å; Q346-A392 HydrophobicContact CG-CB 3.58Å
347E98.7Very high98.5Very high1 Ų142 Ų421%0.00519%0.191CC..Hα-helixtrans-67.1-32.6171.3-165.9-158.4131.700111.2K86 R93 R351K86-E347 WeakPolarHBondContact CD-OE2 3.41Å; K86-E347 WeakPolarHBondContact CE-OE2 3.27Å; K86-E347 IonicContact NZ-OE2 3.97Å; K86-E347 PolarHBondContact NZ-OE2 3.41Å; R93-E347 IonicContact NH1-OE1 3.28Å; R93-E347 IonicContact NH2-OE1 2.71Å; R93-E347 PolarHBondContact NH2-OE1 3.26Å; E347-R351 WeakPolarHBondContact O-CB 3.43Å; E347-R351 WeakPolarHBondContact O-CD 3.49Å; E347-R351 VanDerWaalsContact O-CG 3.27Å; E347-R351 WeakPolarHBondContact O-CG 3.24Å; E347-R351 PolarHBondContact O-N 3.39Å; E347-R351 VanDerWaalsContact O-N 3.15Å; E347-R351 WeakPolarHBondContact OE1-CD 3.43Å; E347-R351 IonicContact OE1-CZ 3.79Å; E347-R351 IonicContact OE1-NE 2.77Å; E347-R351 IonicContact OE1-NH1 3.01Å; E347-R351 PolarHBondContact OE1-NH1 2.96Å
348L98.6Very high98.4Very high0 Ų046.3 Ų46.30%021%0.213CC..Hα-helixtrans-69-42177.9-174.655000111.4I319 L344 A345 Q346 R351 L352 L366 M395 L424 A426I319-L348 HydrophobicContact CB-CD1 4.4Å; I319-L348 HydrophobicContact CG2-CD1 3.74Å; I319-L348 VanDerWaalsContact O-CD1 3.27Å; I319-L348 WeakPolarHBondContact O-CD1 3.27Å; L344-L348 WeakPolarHBondContact O-CB 3.45Å; L344-L348 PolarHBondContact O-N 3.22Å; L344-L348 VanDerWaalsContact O-N 3.08Å; A345-L348 CarbonylContact O-C 3.58Å; A345-L348 WeakPolarHBondContact O-CB 3.31Å; A345-L348 PolarHBondContact O-N 3.11Å; Q346-L348 VanDerWaalsContact C-N 3.27Å; Q346-L348 PolarHBondContact O-N 3.47Å; L348-R351 PolarHBondContact O-N 3.42Å; L348-L352 HydrophobicContact CD1-CD1 3.88Å; L348-L352 HydrophobicContact CD1-CG 4Å; L348-L352 HydrophobicContact CG-CD1 3.74Å; L348-L352 HydrophobicContact CG-CG 4.32Å; L348-L352 WeakPolarHBondContact O-CB 3.22Å; L348-L352 WeakPolarHBondContact O-CG 3.46Å; L348-L352 PolarHBondContact O-N 3.43Å; L348-L366 HydrophobicContact CD2-CD1 3.83Å; L348-M395 HydrophobicContact CB-CE 4.49Å; L348-M395 HydrophobicContact CD2-SD 4.06Å; L348-M395 HydrophobicContact CG-SD 4.23Å; L348-L424 HydrophobicContact CD2-CB 3.87Å; L348-A426 HydrophobicContact CD1-CB 4.1Å
349E98.8Very high98.3Very high65 Ų6545.5 Ų45.530%0.30421%0.211SC..Hα-helixtrans-63.2-48.4176.1-168.6-167.5141.700112.2A345 R351 L352 T353 A392 M395A345-E349 WeakPolarHBondContact O-CB 3.41Å; A345-E349 PolarHBondContact O-N 3.28Å; E349-R351 VanDerWaalsContact C-N 3.31Å; E349-R351 PolarHBondContact O-N 3.48Å; E349-L352 PolarHBondContact O-N 3.18Å; E349-T353 VanDerWaalsContact O-CB 3.27Å; E349-T353 WeakPolarHBondContact O-CB 3.39Å; E349-T353 PolarHBondContact O-N 3.18Å; E349-T353 PolarHBondContact O-OG1 3.19Å; E349-A392 HydrophobicContact CB-CB 4.41Å; E349-A392 WeakPolarHBondContact OE2-CA 3.25Å; E349-A392 WeakPolarHBondContact OE2-CB 3.33Å; E349-A392 PolarHBondContact OE2-N 3.34Å; E349-M395 HydrophobicContact CB-CE 3.67Å; E349-M395 HydrophobicContact CG-CE 4.3Å
350E98.6Very high98.2Very high83 Ų8345.3 Ų45.339%0.38822%0.219SC..Hα-helixtrans-52.5-50.1175.2178.4-172.6146.500110.8R84 Q346 K354R84-E350 IonicContact CZ-OE2 2.65Å; R84-E350 IonicContact NH1-OE2 3.53Å; R84-E350 PolarHBondContact NH1-OE2 2.92Å; R84-E350 IonicContact NH2-OE2 2.64Å; R84-E350 PolarHBondContact NH2-OE2 3.41Å; Q346-E350 WeakPolarHBondContact O-CB 3.35Å; Q346-E350 PolarHBondContact O-N 3.37Å; Q346-E350 VanDerWaalsContact O-N 3.12Å; E350-K354 PolarHBondContact O-N 2.92Å; E350-K354 VanDerWaalsContact O-N 3.11Å
351R98.6Very high98.1Very high37 Ų3744.9 Ų44.914%0.1422%0.218CC..Hα-helixtrans-73.8-34.1-178-71.2165.556.8-158.5-13.4113.5R93 I319 G320 C321 E347 L348 E349 D355R93-R351 VanDerWaalsContact CZ-CZ 3.5Å; R93-R351 VanDerWaalsContact NH2-CZ 3.33Å; I319-R351 HydrophobicContact CG2-CB 4.08Å; G320-R351 PolarHBondContact O-NH1 2.89Å; G320-R351 PolarHBondContact O-NH2 3.18Å; C321-R351 PolarHBondContact SG-NH1 3.1Å; E347-R351 WeakPolarHBondContact O-CB 3.43Å; E347-R351 WeakPolarHBondContact O-CD 3.49Å; E347-R351 VanDerWaalsContact O-CG 3.27Å; E347-R351 WeakPolarHBondContact O-CG 3.24Å; E347-R351 PolarHBondContact O-N 3.39Å; E347-R351 VanDerWaalsContact O-N 3.15Å; E347-R351 WeakPolarHBondContact OE1-CD 3.43Å; E347-R351 IonicContact OE1-CZ 3.79Å; E347-R351 IonicContact OE1-NE 2.77Å; E347-R351 IonicContact OE1-NH1 3.01Å; E347-R351 PolarHBondContact OE1-NH1 2.96Å; L348-R351 PolarHBondContact O-N 3.42Å; E349-R351 VanDerWaalsContact C-N 3.31Å; E349-R351 PolarHBondContact O-N 3.48Å; R351-D355 WeakPolarHBondContact O-CB 3.34Å; R351-D355 PolarHBondContact O-N 3.09Å
352L98.6Very high98.1Very high0 Ų046.8 Ų46.80%023%0.229CC..Hα-helixtrans-72.8-37.8176.6-79.8171.6000112.2I319 L348 E349 D355 R356 A363 L387 Y390 M395 A426 F429I319-L352 HydrophobicContact CB-CD2 4.32Å; I319-L352 HydrophobicContact CD1-CD2 4.31Å; L348-L352 HydrophobicContact CD1-CD1 3.88Å; L348-L352 HydrophobicContact CD1-CG 4Å; L348-L352 HydrophobicContact CG-CD1 3.74Å; L348-L352 HydrophobicContact CG-CG 4.32Å; L348-L352 WeakPolarHBondContact O-CB 3.22Å; L348-L352 WeakPolarHBondContact O-CG 3.46Å; L348-L352 PolarHBondContact O-N 3.43Å; E349-L352 PolarHBondContact O-N 3.18Å; L352-D355 PolarHBondContact O-N 2.84Å; L352-R356 WeakPolarHBondContact O-CB 3.39Å; L352-R356 PolarHBondContact O-N 3.42Å; L352-A363 HydrophobicContact CD2-CB 4.03Å; L352-L387 HydrophobicContact CD1-CD2 3.98Å; L352-Y390 HydrophobicContact CB-CD1 4.19Å; L352-Y390 HydrophobicContact CB-CD2 3.8Å; L352-Y390 HydrophobicContact CB-CE1 4.06Å; L352-Y390 HydrophobicContact CB-CE2 3.64Å; L352-Y390 HydrophobicContact CB-CG 4.07Å; L352-Y390 HydrophobicContact CD1-CD1 3.93Å; L352-Y390 HydrophobicContact CD1-CE1 3.86Å; L352-Y390 HydrophobicContact CD1-CG 4.49Å; L352-Y390 HydrophobicContact CD2-CE1 4.2Å; L352-Y390 HydrophobicContact CG-CE1 4.28Å; L352-Y390 VanDerWaalsContact O-CE2 3.24Å; L352-Y390 WeakPolarHBondContact O-CE2 3.4Å; L352-M395 HydrophobicContact CD1-SD 4.33Å; L352-A426 HydrophobicContact CD1-CB 3.83Å; L352-A426 HydrophobicContact CD2-CB 3.7Å; L352-A426 HydrophobicContact CG-CB 4.23Å; L352-F429 HydrophobicContact CD2-CE1 4.22Å; L352-F429 HydrophobicContact CD2-CZ 4.03Å
353T98.4Very high98.1Very high45 Ų4545.4 Ų45.428%0.27622%0.223SC..Hα-helixtrans-63.8-44.9174-65.70000110.4E349 N357E349-T353 VanDerWaalsContact O-CB 3.27Å; E349-T353 WeakPolarHBondContact O-CB 3.39Å; E349-T353 PolarHBondContact O-N 3.18Å; E349-T353 PolarHBondContact O-OG1 3.19Å; T353-N357 PolarHBondContact O-N 3.27Å; T353-N357 PolarHBondContact O-OD1 3.45Å; T353-N357 VanDerWaalsContact O-OD1 3.08Å
354K97.9Very high98Very high104 Ų10447.5 Ų47.545%0.45224%0.237SC..Hα-helixtrans-61.6-50.9172.3-156.1-162.8-174.8-58.50111.6E350 R356 N357 D358E350-K354 PolarHBondContact O-N 2.92Å; E350-K354 VanDerWaalsContact O-N 3.11Å; K354-R356 VanDerWaalsContact C-N 3.29Å; K354-R356 PolarHBondContact O-N 3.26Å; K354-N357 PolarHBondContact O-N 3.08Å; K354-D358 WeakPolarHBondContact CG-OD2 3.48Å; K354-D358 IonicContact NZ-OD1 3.68Å; K354-D358 PolarHBondContact NZ-OD1 3.41Å; K354-D358 IonicContact NZ-OD2 2.77Å; K354-D358 PolarHBondContact NZ-OD2 2.77Å; K354-D358 WeakPolarHBondContact O-CB 3.24Å; K354-D358 PolarHBondContact O-N 2.93Å
355D98.1Very high98Very high14 Ų1449.8 Ų49.88%0.07525%0.248CC..Hα-helixtrans-59.8-34.4-177.8-176.186.3000113.9I319 R351 L352 N359 R361 F429I319-D355 HydrophobicContact CD1-CB 3.47Å; I319-D355 VanDerWaalsContact CD1-CB 3.47Å; I319-D355 WeakPolarHBondContact CD1-OD1 3.48Å; R351-D355 WeakPolarHBondContact O-CB 3.34Å; R351-D355 PolarHBondContact O-N 3.09Å; L352-D355 PolarHBondContact O-N 2.84Å; D355-N359 VanDerWaalsContact O-CB 3.31Å; D355-N359 WeakPolarHBondContact O-CB 3.42Å; D355-N359 PolarHBondContact O-N 3.01Å; D355-N359 VanDerWaalsContact O-N 3.08Å; D355-N359 PolarHBondContact O-ND2 2.97Å; D355-N359 PolarHBondContact OD1-ND2 3.41Å; D355-R361 VanDerWaalsContact CG-NH2 3.31Å; D355-R361 IonicContact OD1-CZ 2.72Å; D355-R361 IonicContact OD1-NE 3.41Å; D355-R361 PolarHBondContact OD1-NE 2.97Å; D355-R361 IonicContact OD1-NH2 3.88Å; D355-R361 PolarHBondContact OD1-NH2 2.87Å; D355-R361 IonicContact OD2-CZ 3.91Å; D355-R361 IonicContact OD2-NE 2.63Å; D355-R361 PolarHBondContact OD2-NE 2.79Å; D355-R361 IonicContact OD2-NH2 2.71Å; D355-R361 PolarHBondContact OD2-NH2 2.98Å; D355-R361 VanDerWaalsContact OD2-NH2 3.1Å; D355-F429 WeakPolarHBondContact OD2-CE1 3.12Å
356R97.4Very high98Very high86 Ų8649.9 Ų49.933%0.32525%0.248SC..Hα-helixtrans-67.5-44.9172.4177.7-169.266.6-156.3-3.8112.1L352 K354 D360 R361 V362 Y390L352-R356 WeakPolarHBondContact O-CB 3.39Å; L352-R356 PolarHBondContact O-N 3.42Å; K354-R356 VanDerWaalsContact C-N 3.29Å; K354-R356 PolarHBondContact O-N 3.26Å; R356-D360 WeakPolarHBondContact O-CA 3.28Å; R356-D360 PolarHBondContact O-N 3.25Å; R356-R361 WeakPolarHBondContact CA-O 3.48Å; R356-R361 WeakPolarHBondContact CB-O 3.31Å; R356-V362 HydrophobicContact CG-CG1 3.96Å; R356-Y390 HydrophobicContact CB-CE2 3.98Å
357N97.2Very high98Very high106 Ų10647.7 Ų47.757%0.56724%0.24SC*.Hα-helixtrans-72.3-31.7-178-63.27.2000112T353 K354T353-N357 PolarHBondContact O-N 3.27Å; T353-N357 PolarHBondContact O-OD1 3.45Å; T353-N357 VanDerWaalsContact O-OD1 3.08Å; K354-N357 PolarHBondContact O-N 3.08Å
358D96.5Very high98Very high90 Ų9047.7 Ų47.748%0.48124%0.24SC..Hα-helixtrans-81-26.8178.7-68.6-6.8000113.2K354K354-D358 WeakPolarHBondContact CG-OD2 3.48Å; K354-D358 IonicContact NZ-OD1 3.68Å; K354-D358 PolarHBondContact NZ-OD1 3.41Å; K354-D358 IonicContact NZ-OD2 2.77Å; K354-D358 PolarHBondContact NZ-OD2 2.77Å; K354-D358 WeakPolarHBondContact O-CB 3.24Å; K354-D358 PolarHBondContact O-N 2.93Å
359N96.5Very high98Very high49 Ų4947.8 Ų47.826%0.26224%0.24SC..Hα-helixtrans-140.318.3-165.4-45.7-96000115.2L315 D355 R361L315-N359 HydrophobicContact CD1-CB 3.76Å; L315-N359 WeakPolarHBondContact CD1-OD1 3.18Å; L315-N359 WeakPolarHBondContact CD2-OD1 3.34Å; D355-N359 VanDerWaalsContact O-CB 3.31Å; D355-N359 WeakPolarHBondContact O-CB 3.42Å; D355-N359 PolarHBondContact O-N 3.01Å; D355-N359 VanDerWaalsContact O-N 3.08Å; D355-N359 PolarHBondContact O-ND2 2.97Å; D355-N359 PolarHBondContact OD1-ND2 3.41Å; N359-R361 VanDerWaalsContact C-N 3.26Å; N359-R361 HydrophobicContact CB-CG 4.03Å; N359-R361 WeakPolarHBondContact O-CB 3.37Å; N359-R361 WeakPolarHBondContact O-CG 3.46Å; N359-R361 PolarHBondContact O-N 3.32Å
360D97.1Very high98Very high123 Ų12344.7 Ų44.766%0.65823%0.226SC*.SBendtrans46.239.9174.7-69.3-53.7000115.9R356 S432R356-D360 WeakPolarHBondContact O-CA 3.28Å; R356-D360 PolarHBondContact O-N 3.25Å; D360-S432 WeakPolarHBondContact O-CB 3.43Å; D360-S432 PolarHBondContact O-N 3.49Å
361R96.9Very high98Very high29 Ų2942.6 Ų42.611%0.10922%0.215CC..EExtended strand (participates in β ladder)trans-138.5149.7-172.467.1-174.8-163157.84.5114P316 D355 R356 N359 F429 S430P316-R361 PolarHBondContact O-NH1 2.98Å; P316-R361 PolarHBondContact O-NH2 2.94Å; D355-R361 VanDerWaalsContact CG-NH2 3.31Å; D355-R361 IonicContact OD1-CZ 2.72Å; D355-R361 IonicContact OD1-NE 3.41Å; D355-R361 PolarHBondContact OD1-NE 2.97Å; D355-R361 IonicContact OD1-NH2 3.88Å; D355-R361 PolarHBondContact OD1-NH2 2.87Å; D355-R361 IonicContact OD2-CZ 3.91Å; D355-R361 IonicContact OD2-NE 2.63Å; D355-R361 PolarHBondContact OD2-NE 2.79Å; D355-R361 IonicContact OD2-NH2 2.71Å; D355-R361 PolarHBondContact OD2-NH2 2.98Å; D355-R361 VanDerWaalsContact OD2-NH2 3.1Å; R356-R361 WeakPolarHBondContact CA-O 3.48Å; R356-R361 WeakPolarHBondContact CB-O 3.31Å; N359-R361 VanDerWaalsContact C-N 3.26Å; N359-R361 HydrophobicContact CB-CG 4.03Å; N359-R361 WeakPolarHBondContact O-CB 3.37Å; N359-R361 WeakPolarHBondContact O-CG 3.46Å; N359-R361 PolarHBondContact O-N 3.32Å; R361-F429 HydrophobicContact CB-CD1 4.19Å; R361-F429 HydrophobicContact CG-CD1 3.74Å; R361-F429 HydrophobicContact CG-CE1 4.23Å; R361-S430 CarbonylContact C-O 3.51Å; R361-S430 VanDerWaalsContact CA-O 3.26Å; R361-S430 WeakPolarHBondContact CA-O 3.11Å; R361-S430 WeakPolarHBondContact CB-O 3.2Å
362V98Very high97.9Very high40 Ų4042.4 Ų42.424%0.24222%0.217CC..EExtended strand (participates in β ladder)trans-128.8131.6-179.2-67.40000112.2R356 Y390 F429 S430R356-V362 HydrophobicContact CG-CG1 3.96Å; V362-Y390 WeakPolarHBondContact CA-OH 3.29Å; V362-F429 CarbonylContact O-C 3.57Å; V362-F429 VanDerWaalsContact O-CA 3.28Å; V362-F429 WeakPolarHBondContact O-CA 3.34Å; V362-S430 WeakPolarHBondContact CG2-OG 3.4Å; V362-S430 PolarHBondContact N-O 2.98Å; V362-S430 PolarHBondContact O-N 2.82Å
363A98.2Very high97.8Very high3 Ų347.6 Ų47.63%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-83.4126.8176.300000111.1L352 L387 Y390 A426 F429L352-A363 HydrophobicContact CD2-CB 4.03Å; A363-L387 HydrophobicContact CB-CD2 3.94Å; A363-L387 WeakPolarHBondContact O-CD2 3.43Å; A363-L387 WeakPolarHBondContact O-CG 3.4Å; A363-Y390 PolarHBondContact N-OH 3.08Å; A363-A426 HydrophobicContact CB-CB 3.82Å; A363-F429 HydrophobicContact CB-CD1 3.98Å; A363-F429 HydrophobicContact CB-CD2 4.37Å; A363-F429 HydrophobicContact CB-CE1 3.72Å; A363-F429 HydrophobicContact CB-CE2 4.11Å; A363-F429 HydrophobicContact CB-CG 4.31Å; A363-F429 HydrophobicContact CB-CZ 3.79Å
364T98.1Very high97.6Very high66 Ų6649 Ų4941%0.40527%0.266SS..EExtended strand (participates in β ladder)trans-100.8-8.9-17361.20000114.2L387 T427 K428T364-L387 PolarHBondContact O-N 2.94Å; T364-T427 PolarHBondContact N-O 3.14Å; T364-K428 PolarHBondContact N-O 3.07Å; T364-K428 VanDerWaalsContact OG1-CB 3.27Å; T364-K428 WeakPolarHBondContact OG1-CB 3.28Å; T364-K428 PolarHBondContact OG1-O 3.16Å
365Q98.6Very high97.4Very high47 Ų4745.9 Ų45.922%0.2225%0.254CS..EExtended strand (participates in β ladder)trans-131134.1-179.1172166.193.600112.1C384 A426 T427 K428Q365-C384 HydrophobicContact CG-CB 4.08Å; Q365-A426 WeakPolarHBondContact O-CA 3.17Å; Q365-T427 WeakPolarHBondContact CB-OG1 3.37Å; Q365-T427 WeakPolarHBondContact CG-OG1 3.5Å; Q365-T427 PolarHBondContact N-O 2.9Å; Q365-T427 VanDerWaalsContact N-O 3.16Å; Q365-T427 PolarHBondContact O-N 2.84Å; Q365-T427 PolarHBondContact OE1-OG1 3.07Å; Q365-K428 HydrophobicContact CB-CB 4.16Å; Q365-K428 HydrophobicContact CB-CD 4.05Å; Q365-K428 HydrophobicContact CB-CG 4.12Å
366L98.8Very high97.1Very high2 Ų255.4 Ų55.41%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-104.2110.3169.5177.160.9000109L348 V368 C384 C385 L387 M395 A399 L424L348-L366 HydrophobicContact CD2-CD1 3.83Å; L366-V368 HydrophobicContact CG-CG2 4.16Å; L366-C384 CarbonylContact O-C 3.54Å; L366-C384 VanDerWaalsContact O-CA 3.31Å; L366-C384 WeakPolarHBondContact O-CA 3.44Å; L366-C385 PolarHBondContact N-O 3.19Å; L366-C385 PolarHBondContact O-N 3.2Å; L366-L387 HydrophobicContact CB-CB 4.12Å; L366-L387 HydrophobicContact CB-CD1 4.5Å; L366-M395 HydrophobicContact CD2-CB 4.07Å; L366-M395 HydrophobicContact CD2-CG 4.15Å; L366-A399 HydrophobicContact CD2-CB 4.47Å; L366-L424 HydrophobicContact CD1-CB 4.26Å
367A98.6Very high96.9Very high11 Ų1158.5 Ų58.59%0.09131%0.306CS..EExtended strand (participates in β ladder)trans-88.6132169.900000110.1C425 T427A367-C425 HydrophobicContact CB-CB 4.32Å; A367-C425 PolarHBondContact N-O 2.88Å; A367-C425 PolarHBondContact O-N 3.43Å; A367-T427 HydrophobicContact CB-CG2 4.29Å
368V98.6Very high96.5Very high1 Ų160.9 Ų60.91%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-120.4128.1-177.2-174.30000107.7L366 R382 R383 A399 V402 I403 L424L366-V368 HydrophobicContact CG-CG2 4.16Å; V368-R382 CarbonylContact O-C 3.56Å; V368-R382 WeakPolarHBondContact O-CA 3.25Å; V368-R383 PolarHBondContact N-O 2.92Å; V368-R383 PolarHBondContact O-N 2.99Å; V368-R383 VanDerWaalsContact O-O 3.12Å; V368-A399 HydrophobicContact CG1-CB 4.13Å; V368-A399 HydrophobicContact CG2-CB 3.7Å; V368-V402 HydrophobicContact CB-CG2 4.03Å; V368-V402 HydrophobicContact CG1-CG2 4.39Å; V368-V402 HydrophobicContact CG2-CG2 3.85Å; V368-I403 HydrophobicContact CG1-CG2 3.69Å; V368-L424 HydrophobicContact CB-CD2 4.43Å; V368-L424 HydrophobicContact CG1-CD2 4.04Å; V368-L424 HydrophobicContact CG2-CD2 4.01Å
369S98.6Very high96.4Very high2 Ų258 Ų581%0.01431%0.305CS..EExtended strand (participates in β ladder)trans-134139.5-178.1-131.20000109.7S379 L381 R382 F423S369-S379 PolarHBondContact OG-OG 2.83Å; S369-L381 VanDerWaalsContact CA-O 3.3Å; S369-L381 WeakPolarHBondContact CA-O 3.31Å; S369-L381 PolarHBondContact OG-O 3.33Å; S369-R382 PolarHBondContact OG-NE 3.17Å; S369-F423 PolarHBondContact N-O 2.85Å; S369-F423 PolarHBondContact O-N 3.35Å
370I98.4Very high96.4Very high1 Ų156.8 Ų56.81%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-134.3158.9178.563.2171.3000110.5S380 L381 I403 C406 L419 M421 L422I370-S380 PolarHBondContact O-N 3.3Å; I370-L381 HydrophobicContact CD1-CB 4.39Å; I370-L381 HydrophobicContact CD1-CD2 4.14Å; I370-L381 HydrophobicContact CG1-CB 3.81Å; I370-L381 HydrophobicContact CG1-CD2 4.16Å; I370-L381 PolarHBondContact N-O 3.06Å; I370-L381 VanDerWaalsContact N-O 3.07Å; I370-L381 PolarHBondContact O-N 3.26Å; I370-I403 HydrophobicContact CD1-CB 4.36Å; I370-I403 HydrophobicContact CD1-CG2 4.5Å; I370-I403 HydrophobicContact CG2-CD1 3.83Å; I370-I403 HydrophobicContact CG2-CG2 4.27Å; I370-C406 HydrophobicContact CD1-CB 4.27Å; I370-L419 HydrophobicContact CD1-CD2 3.96Å; I370-L419 HydrophobicContact CG2-CD1 4.36Å; I370-M421 WeakPolarHBondContact CA-O 3.23Å; I370-L422 HydrophobicContact CG2-CD2 3.59Å
371R98.4Very high96.3Very high39 Ų3952.5 Ų52.515%0.14728%0.277CS..EExtended strand (participates in β ladder)trans-126.3130.7166.7-171.1177.658.2-112.40.5109.4N324 D375 R377 L378 S380 L419 T420 M421N324-R371 PolarHBondContact OD1-NH1 2.68Å; N324-R371 PolarHBondContact OD1-NH2 2.89Å; R371-D375 HydrophobicContact CG-CB 4.33Å; R371-R377 WeakPolarHBondContact CD-O 3.46Å; R371-L378 PolarHBondContact NH1-O 2.81Å; R371-S380 WeakPolarHBondContact CA-OG 3.12Å; R371-L419 CarbonylContact O-C 3.55Å; R371-L419 WeakPolarHBondContact O-CA 3.37Å; R371-T420 PolarHBondContact NE-OG1 3.14Å; R371-T420 PolarHBondContact NH2-O 3.07Å; R371-T420 PolarHBondContact O-N 3.07Å; R371-T420 PolarHBondContact O-OG1 3.29Å; R371-M421 HydrophobicContact CB-CB 3.87Å; R371-M421 HydrophobicContact CB-CE 4.15Å; R371-M421 PolarHBondContact N-O 3.47Å; R371-M421 PolarHBondContact O-N 3.23Å
372V97.2Very high96.3Very high32 Ų3258.1 Ų58.119%0.19430%0.299CS..EExtended strand (participates in β ladder)trans-86164.6174.8-59.50000110.6D375 S380 P417 P418 L419 T420V372-D375 HydrophobicContact CG2-CB 4.12Å; V372-S380 PolarHBondContact N-OG 2.88Å; V372-P417 HydrophobicContact CB-CB 4.33Å; V372-P417 HydrophobicContact CB-CG 3.83Å; V372-P417 HydrophobicContact CG1-CG 3.84Å; V372-P417 HydrophobicContact CG2-CG 4.37Å; V372-P418 CarbonylContact C-O 3.58Å; V372-L419 HydrophobicContact CG1-CD2 3.98Å; V372-T420 PolarHBondContact O-OG1 2.86Å
373Q96.5Very high96.3Very high109 Ų10962.3 Ų62.351%0.50931%0.31SS..THydrogen-bonded Turntrans-63.5143.6172.5-168.3169.9-2.500111D375 P418 T420Q373-D375 VanDerWaalsContact C-N 3.3Å; Q373-D375 PolarHBondContact O-N 3.4Å; Q373-P418 PolarHBondContact N-O 3.18Å; Q373-T420 HydrophobicContact CB-CG2 4.07Å; Q373-T420 HydrophobicContact CG-CG2 4.42Å
374G93.8Very high96.3Very high76 Ų7665.1 Ų65.178%0.78433%0.329SS*.THydrogen-bonded Turntrans85.8-22.5-178.600000115.7K376G374-K376 PolarHBondContact O-N 3.48Å
375D94.3Very high96.3Very high37 Ų3763.1 Ų63.120%0.19832%0.317CS..  trans-77.8121.2-179.9-167.1-12000112.3R371 V372 Q373 R377 S380R371-D375 HydrophobicContact CG-CB 4.33Å; V372-D375 HydrophobicContact CG2-CB 4.12Å; Q373-D375 VanDerWaalsContact C-N 3.3Å; Q373-D375 PolarHBondContact O-N 3.4Å; D375-R377 VanDerWaalsContact C-N 3.33Å; D375-R377 VanDerWaalsContact OD1-CB 3.26Å; D375-R377 WeakPolarHBondContact OD1-CB 3.48Å; D375-R377 VanDerWaalsContact OD1-CG 3.28Å; D375-R377 WeakPolarHBondContact OD1-CG 3.48Å; D375-R377 IonicContact OD1-CZ 4Å; D375-R377 PolarHBondContact OD1-N 2.89Å; D375-R377 IonicContact OD1-NE 3.29Å; D375-R377 PolarHBondContact OD1-NE 2.94Å; D375-R377 IonicContact OD1-NH2 3.02Å; D375-R377 IonicContact OD2-CZ 2.71Å; D375-R377 VanDerWaalsContact OD2-CZ 3.29Å; D375-R377 IonicContact OD2-NE 2.65Å; D375-R377 PolarHBondContact OD2-NE 2.84Å; D375-R377 IonicContact OD2-NH2 3.04Å; D375-R377 PolarHBondContact OD2-NH2 3.31Å; D375-S380 VanDerWaalsContact CB-OG 3.31Å; D375-S380 WeakPolarHBondContact CB-OG 3.3Å; D375-S380 VanDerWaalsContact CG-OG 3.29Å; D375-S380 WeakPolarHBondContact OD2-CA 3.45Å; D375-S380 WeakPolarHBondContact OD2-CB 3.48Å; D375-S380 PolarHBondContact OD2-OG 2.91Å
376K92Very high96.2Very high215 Ų21564 Ų6494%0.93533%0.332SS*.  trans-78.4-11.8177.7-63.1-174.3-179.9-177.90113.5G374G374-K376 PolarHBondContact O-N 3.48Å
377R93.6Very high96.2Very high151 Ų15164.5 Ų64.557%0.5734%0.335SS*.SBendtrans-74.9148.1177.8-59.2173.8-63169.85.6110.4R371 D375 S379 S380R371-R377 WeakPolarHBondContact CD-O 3.46Å; D375-R377 VanDerWaalsContact C-N 3.33Å; D375-R377 VanDerWaalsContact OD1-CB 3.26Å; D375-R377 WeakPolarHBondContact OD1-CB 3.48Å; D375-R377 VanDerWaalsContact OD1-CG 3.28Å; D375-R377 WeakPolarHBondContact OD1-CG 3.48Å; D375-R377 IonicContact OD1-CZ 4Å; D375-R377 PolarHBondContact OD1-N 2.89Å; D375-R377 IonicContact OD1-NE 3.29Å; D375-R377 PolarHBondContact OD1-NE 2.94Å; D375-R377 IonicContact OD1-NH2 3.02Å; D375-R377 IonicContact OD2-CZ 2.71Å; D375-R377 VanDerWaalsContact OD2-CZ 3.29Å; D375-R377 IonicContact OD2-NE 2.65Å; D375-R377 PolarHBondContact OD2-NE 2.84Å; D375-R377 IonicContact OD2-NH2 3.04Å; D375-R377 PolarHBondContact OD2-NH2 3.31Å; R377-S379 PolarHBondContact O-N 3.37Å; R377-S379 VanDerWaalsContact O-N 3.1Å; R377-S380 PolarHBondContact NH2-O 2.99Å
378L88.6Confident96.1Very high155 Ų15568.6 Ų68.681%0.81236%0.359SS*.SBendtrans-54.3-34.3177.8-67.9174.2000113.4R371 M421R371-L378 PolarHBondContact NH1-O 2.81Å; L378-M421 VanDerWaalsContact O-CE 3.25Å; L378-M421 WeakPolarHBondContact O-CE 2.99Å
379S94.8Very high96Very high29 Ų2977.4 Ų77.420%0.20339%0.392CS..  trans-140.7123.7-179.5157.10000108.9S369 R377 L381S369-S379 PolarHBondContact OG-OG 2.83Å; R377-S379 PolarHBondContact O-N 3.37Å; R377-S379 VanDerWaalsContact O-N 3.1Å; S379-L381 PolarHBondContact OG-O 2.9Å; S379-L381 VanDerWaalsContact OG-O 3.07Å
380S94.9Very high95.9Very high24 Ų2478.9 Ų78.917%0.16840%0.398CS..SBendtrans-76-35.4174.3-560000112.5I370 R371 V372 D375 R377I370-S380 PolarHBondContact O-N 3.3Å; R371-S380 WeakPolarHBondContact CA-OG 3.12Å; V372-S380 PolarHBondContact N-OG 2.88Å; D375-S380 VanDerWaalsContact CB-OG 3.31Å; D375-S380 WeakPolarHBondContact CB-OG 3.3Å; D375-S380 VanDerWaalsContact CG-OG 3.29Å; D375-S380 WeakPolarHBondContact OD2-CA 3.45Å; D375-S380 WeakPolarHBondContact OD2-CB 3.48Å; D375-S380 PolarHBondContact OD2-OG 2.91Å; R377-S380 PolarHBondContact NH2-O 2.99Å
381L95.6Very high95.9Very high34 Ų3482.1 Ų82.118%0.17842%0.415CS..EExtended strand (participates in β ladder)trans-144.5143.4-174-169.4100.2000109.9S369 I370 S379 R383 I403 C406S369-L381 VanDerWaalsContact CA-O 3.3Å; S369-L381 WeakPolarHBondContact CA-O 3.31Å; S369-L381 PolarHBondContact OG-O 3.33Å; I370-L381 HydrophobicContact CD1-CB 4.39Å; I370-L381 HydrophobicContact CD1-CD2 4.14Å; I370-L381 HydrophobicContact CG1-CB 3.81Å; I370-L381 HydrophobicContact CG1-CD2 4.16Å; I370-L381 PolarHBondContact N-O 3.06Å; I370-L381 VanDerWaalsContact N-O 3.07Å; I370-L381 PolarHBondContact O-N 3.26Å; S379-L381 PolarHBondContact OG-O 2.9Å; S379-L381 VanDerWaalsContact OG-O 3.07Å; L381-R383 HydrophobicContact CD2-CG 3.84Å; L381-R383 HydrophobicContact CG-CG 4.41Å; L381-I403 HydrophobicContact CD2-CG2 4.39Å; L381-C406 VanDerWaalsContact CD2-SG 3.52Å
382R97.3Very high96Very high147 Ų14780.3 Ų80.356%0.55541%0.408SS*.EExtended strand (participates in β ladder)trans-130141.8163.8-169.5171.1-67.2172.30.9110V368 S369V368-R382 CarbonylContact O-C 3.56Å; V368-R382 WeakPolarHBondContact O-CA 3.25Å; S369-R382 PolarHBondContact OG-NE 3.17Å
383R97.4Very high96Very high127 Ų12784.7 Ų84.748%0.47943%0.427SS..EExtended strand (participates in β ladder)trans-138.7161.4173.3-65.9-65.5-178.9-104.511.1108.6V368 L381 V402V368-R383 PolarHBondContact N-O 2.92Å; V368-R383 PolarHBondContact O-N 2.99Å; V368-R383 VanDerWaalsContact O-O 3.12Å; L381-R383 HydrophobicContact CD2-CG 3.84Å; L381-R383 HydrophobicContact CG-CG 4.41Å; R383-V402 HydrophobicContact CB-CB 4.07Å; R383-V402 HydrophobicContact CB-CG2 4Å
384C97.6Very high96.1Very high62 Ų6283 Ų8342%0.41942%0.417SS..EExtended strand (participates in β ladder)trans-135.1146.5175.7-630000110.2Q365 L366Q365-C384 HydrophobicContact CG-CB 4.08Å; L366-C384 CarbonylContact O-C 3.54Å; L366-C384 VanDerWaalsContact O-CA 3.31Å; L366-C384 WeakPolarHBondContact O-CA 3.44Å
385C98.1Very high96.3Very high25 Ų2579.4 Ų79.417%0.16938%0.38CS..EExtended strand (participates in β ladder)trans-130.9170.5169.451.40000110L366 V402L366-C385 PolarHBondContact N-O 3.19Å; L366-C385 PolarHBondContact O-N 3.2Å; C385-V402 HydrophobicContact CB-CG1 4.07Å
386A98.3Very high96.5Very high65 Ų6578.3 Ų78.354%0.53738%0.376SS..EExtended strand (participates in β ladder)trans-75.2133175.500000110.4T388A386-T388 HydrophobicContact CB-CG2 4.03Å
387L98.1Very high96.9Very high12 Ų1273.6 Ų73.66%0.06336%0.356CS..  trans-98.489.1173.6-178.155.6000108.2L352 A363 T364 L366 R389 Y390 M395 A426L352-L387 HydrophobicContact CD1-CD2 3.98Å; A363-L387 HydrophobicContact CB-CD2 3.94Å; A363-L387 WeakPolarHBondContact O-CD2 3.43Å; A363-L387 WeakPolarHBondContact O-CG 3.4Å; T364-L387 PolarHBondContact O-N 2.94Å; L366-L387 HydrophobicContact CB-CB 4.12Å; L366-L387 HydrophobicContact CB-CD1 4.5Å; L387-R389 WeakPolarHBondContact CD1-O 3.44Å; L387-Y390 HydrophobicContact CD2-CD1 4.47Å; L387-Y390 HydrophobicContact CD2-CE1 4.17Å; L387-Y390 HydrophobicContact CG-CD1 4.42Å; L387-Y390 HydrophobicContact CG-CE1 4.39Å; L387-M395 HydrophobicContact CD1-CG 3.61Å; L387-M395 HydrophobicContact CD1-SD 3.6Å; L387-M395 VanDerWaalsContact CD1-SD 3.6Å; L387-A426 HydrophobicContact CD2-CB 3.79Å
388T96Very high97.1Very high97 Ų9767.9 Ų67.960%0.59534%0.337SS*.  trans-92.6-18-172.458.40000114.4A386 K394A386-T388 HydrophobicContact CB-CG2 4.03Å; T388-K394 VanDerWaalsContact OG1-CE 3.3Å; T388-K394 WeakPolarHBondContact OG1-CE 3.35Å
389R96Very high97.6Very high186 Ų18660.5 Ų60.570%0.70230%0.299SS*.SBendtrans-149149.3176.2-62.6-173.6-177.8174.1-0.1109.3L387 D391L387-R389 WeakPolarHBondContact CD1-O 3.44Å; R389-D391 PolarHBondContact O-N 3.32Å
390Y98.1Very high97.7Very high34 Ų3460.2 Ų60.213%0.13329%0.294CS..  trans-85.895.6167.8-61.1-13.8000108L352 R356 V362 A363 L387L352-Y390 HydrophobicContact CB-CD1 4.19Å; L352-Y390 HydrophobicContact CB-CD2 3.8Å; L352-Y390 HydrophobicContact CB-CE1 4.06Å; L352-Y390 HydrophobicContact CB-CE2 3.64Å; L352-Y390 HydrophobicContact CB-CG 4.07Å; L352-Y390 HydrophobicContact CD1-CD1 3.93Å; L352-Y390 HydrophobicContact CD1-CE1 3.86Å; L352-Y390 HydrophobicContact CD1-CG 4.49Å; L352-Y390 HydrophobicContact CD2-CE1 4.2Å; L352-Y390 HydrophobicContact CG-CE1 4.28Å; L352-Y390 VanDerWaalsContact O-CE2 3.24Å; L352-Y390 WeakPolarHBondContact O-CE2 3.4Å; R356-Y390 HydrophobicContact CB-CE2 3.98Å; V362-Y390 WeakPolarHBondContact CA-OH 3.29Å; A363-Y390 PolarHBondContact N-OH 3.08Å; L387-Y390 HydrophobicContact CD2-CD1 4.47Å; L387-Y390 HydrophobicContact CD2-CE1 4.17Å; L387-Y390 HydrophobicContact CG-CD1 4.42Å; L387-Y390 HydrophobicContact CG-CE1 4.39Å
391D98.5Very high97.9Very high68 Ų6861.5 Ų61.536%0.36430%0.301SS..  trans-151.1122.2178.1172.8-63.8000107.6R389 H393 K394 M395R389-D391 PolarHBondContact O-N 3.32Å; D391-H393 PolarHBondContact O-N 3.19Å; D391-H393 WeakPolarHBondContact OD1-CA 3.38Å; D391-H393 WeakPolarHBondContact OD1-CB 3.37Å; D391-H393 PolarHBondContact OD1-N 3.33Å; D391-K394 HydrophobicContact CB-CB 4.15Å; D391-K394 PolarHBondContact OD1-N 3.11Å; D391-M395 WeakPolarHBondContact O-CB 3.49Å; D391-M395 VanDerWaalsContact O-CG 3.3Å; D391-M395 WeakPolarHBondContact O-CG 3.29Å; D391-M395 PolarHBondContact O-N 2.91Å
392A98.6Very high98Very high1 Ų162 Ų621%0.00831%0.305CS..Hα-helixtrans-70.6-29.6-17300000113.7L342 A345 Q346 E349 S396L342-A392 HydrophobicContact CD1-CB 4.14Å; A345-A392 HydrophobicContact CB-CB 3.9Å; A345-A392 WeakPolarHBondContact CB-O 3.41Å; Q346-A392 HydrophobicContact CB-CB 4.23Å; Q346-A392 HydrophobicContact CG-CB 3.58Å; E349-A392 HydrophobicContact CB-CB 4.41Å; E349-A392 WeakPolarHBondContact OE2-CA 3.25Å; E349-A392 WeakPolarHBondContact OE2-CB 3.33Å; E349-A392 PolarHBondContact OE2-N 3.34Å; A392-S396 VanDerWaalsContact O-CB 3.27Å; A392-S396 WeakPolarHBondContact O-CB 3.23Å; A392-S396 PolarHBondContact O-N 2.82Å; A392-S396 PolarHBondContact O-OG 3.22Å
393H98.6Very high98Very high125 Ų12555 Ų5558%0.57928%0.278SS*.Hα-helixtrans-70.9-44.6177.5-74.6-90.5000110.3D391 S396 H397D391-H393 PolarHBondContact O-N 3.19Å; D391-H393 WeakPolarHBondContact OD1-CA 3.38Å; D391-H393 WeakPolarHBondContact OD1-CB 3.37Å; D391-H393 PolarHBondContact OD1-N 3.33Å; H393-S396 PolarHBondContact O-OG 2.65Å; H393-H397 WeakPolarHBondContact O-CB 3.46Å; H393-H397 PolarHBondContact O-N 2.9Å
394K98.3Very high97.9Very high72 Ų7253.5 Ų53.531%0.31328%0.276SS..Hα-helixtrans-63.1-49.5171.4178.5165.4174.551.20111.9T388 D391 S396 H397 D398T388-K394 VanDerWaalsContact OG1-CE 3.3Å; T388-K394 WeakPolarHBondContact OG1-CE 3.35Å; D391-K394 HydrophobicContact CB-CB 4.15Å; D391-K394 PolarHBondContact OD1-N 3.11Å; K394-S396 VanDerWaalsContact C-N 3.32Å; K394-S396 PolarHBondContact O-N 2.71Å; K394-H397 PolarHBondContact O-N 2.81Å; K394-D398 WeakPolarHBondContact CE-OD2 3.38Å; K394-D398 WeakPolarHBondContact CG-OD2 3.31Å; K394-D398 IonicContact NZ-OD1 3.77Å; K394-D398 IonicContact NZ-OD2 2.78Å; K394-D398 PolarHBondContact NZ-OD2 3.35Å; K394-D398 WeakPolarHBondContact O-CB 3.25Å; K394-D398 PolarHBondContact O-N 2.84Å
395M98.7Very high97.8Very high2 Ų257.3 Ų57.31%0.0129%0.292CS..Hα-helixtrans-59.9-41.2-179.8-78.7-167.5-71.300112.3A345 L348 E349 L352 L366 L387 D391 A399A345-M395 HydrophobicContact CB-CB 4Å; A345-M395 WeakPolarHBondContact O-CE 3.12Å; L348-M395 HydrophobicContact CB-CE 4.49Å; L348-M395 HydrophobicContact CD2-SD 4.06Å; L348-M395 HydrophobicContact CG-SD 4.23Å; E349-M395 HydrophobicContact CB-CE 3.67Å; E349-M395 HydrophobicContact CG-CE 4.3Å; L352-M395 HydrophobicContact CD1-SD 4.33Å; L366-M395 HydrophobicContact CD2-CB 4.07Å; L366-M395 HydrophobicContact CD2-CG 4.15Å; L387-M395 HydrophobicContact CD1-CG 3.61Å; L387-M395 HydrophobicContact CD1-SD 3.6Å; L387-M395 VanDerWaalsContact CD1-SD 3.6Å; D391-M395 WeakPolarHBondContact O-CB 3.49Å; D391-M395 VanDerWaalsContact O-CG 3.3Å; D391-M395 WeakPolarHBondContact O-CG 3.29Å; D391-M395 PolarHBondContact O-N 2.91Å; M395-A399 WeakPolarHBondContact O-CB 3.3Å; M395-A399 PolarHBondContact O-N 3.24Å
396S98.6Very high97.6Very high14 Ų1457.7 Ų57.710%0.09829%0.294CS..Hα-helixtrans-73.9-37.3177.956.90000113A392 H393 K394 F400A392-S396 VanDerWaalsContact O-CB 3.27Å; A392-S396 WeakPolarHBondContact O-CB 3.23Å; A392-S396 PolarHBondContact O-N 2.82Å; A392-S396 PolarHBondContact O-OG 3.22Å; H393-S396 PolarHBondContact O-OG 2.65Å; K394-S396 VanDerWaalsContact C-N 3.32Å; K394-S396 PolarHBondContact O-N 2.71Å; S396-F400 WeakPolarHBondContact O-CB 3.23Å; S396-F400 PolarHBondContact O-N 3.28Å
397H98.6Very high97.5Very high115 Ų11556.2 Ų56.253%0.53228%0.277SS..Hα-helixtrans-62.3-49172.4172.7-86.5000112.4H393 K394 A399 F400 T401H393-H397 WeakPolarHBondContact O-CB 3.46Å; H393-H397 PolarHBondContact O-N 2.9Å; K394-H397 PolarHBondContact O-N 2.81Å; H397-A399 VanDerWaalsContact C-N 3.33Å; H397-F400 PolarHBondContact O-N 3.5Å; H397-T401 WeakPolarHBondContact O-CB 3.35Å; H397-T401 PolarHBondContact O-N 3.06Å; H397-T401 PolarHBondContact O-OG1 2.93Å
398D98.5Very high97.3Very high31 Ų3160.7 Ų60.717%0.16631%0.305CS..Hα-helixtrans-66.5-38.8179.7-66.9-7.3000110.5K394 T401 V402K394-D398 WeakPolarHBondContact CE-OD2 3.38Å; K394-D398 WeakPolarHBondContact CG-OD2 3.31Å; K394-D398 IonicContact NZ-OD1 3.77Å; K394-D398 IonicContact NZ-OD2 2.78Å; K394-D398 PolarHBondContact NZ-OD2 3.35Å; K394-D398 WeakPolarHBondContact O-CB 3.25Å; K394-D398 PolarHBondContact O-N 2.84Å; D398-T401 WeakPolarHBondContact O-CB 3.33Å; D398-T401 PolarHBondContact O-N 3.49Å; D398-V402 PolarHBondContact O-N 3.25Å; D398-V402 VanDerWaalsContact O-N 3.09Å
399A98.5Very high97.1Very high0 Ų057.4 Ų57.40%029%0.286CS..Hα-helixtrans-63.6-44.2174.300000112.7L341 L366 V368 M395 H397 T401 V402 I403 L424L341-A399 HydrophobicContact CD2-CB 4.07Å; L366-A399 HydrophobicContact CD2-CB 4.47Å; V368-A399 HydrophobicContact CG1-CB 4.13Å; V368-A399 HydrophobicContact CG2-CB 3.7Å; M395-A399 WeakPolarHBondContact O-CB 3.3Å; M395-A399 PolarHBondContact O-N 3.24Å; H397-A399 VanDerWaalsContact C-N 3.33Å; A399-T401 VanDerWaalsContact C-N 3.3Å; A399-T401 PolarHBondContact O-N 3.21Å; A399-V402 WeakPolarHBondContact O-CG2 3.35Å; A399-V402 PolarHBondContact O-N 3.35Å; A399-I403 WeakPolarHBondContact O-CG1 3.34Å; A399-I403 PolarHBondContact O-N 2.81Å; A399-L424 HydrophobicContact CB-CD2 3.6Å
400F98.4Very high96.7Very high24 Ų2452.8 Ų52.811%0.10530%0.296CS..Hα-helixtrans-59.4-43.6172.1-179.3-99000110.9R334 V337 Q338 L341 S396 H397 V402 I403 K404 W415R334-F400 HydrophobicContact CG-CE2 3.83Å; R334-F400 HydrophobicContact CG-CZ 3.66Å; V337-F400 HydrophobicContact CG1-CD2 4.31Å; Q338-F400 HydrophobicContact CG-CD1 4.48Å; Q338-F400 HydrophobicContact CG-CD2 3.46Å; Q338-F400 VanDerWaalsContact CG-CD2 3.46Å; Q338-F400 HydrophobicContact CG-CE2 3.62Å; Q338-F400 HydrophobicContact CG-CG 3.94Å; Q338-F400 HydrophobicContact CG-CZ 4.23Å; Q338-F400 VanDerWaalsContact NE2-CE1 3.29Å; L341-F400 HydrophobicContact CD1-CB 3.72Å; L341-F400 HydrophobicContact CD1-CD2 4.15Å; L341-F400 HydrophobicContact CD1-CG 4.46Å; S396-F400 WeakPolarHBondContact O-CB 3.23Å; S396-F400 PolarHBondContact O-N 3.28Å; H397-F400 PolarHBondContact O-N 3.5Å; F400-V402 VanDerWaalsContact C-N 3.32Å; F400-V402 PolarHBondContact O-N 3.43Å; F400-I403 PolarHBondContact O-N 2.88Å; F400-I403 VanDerWaalsContact O-N 3.1Å; F400-K404 HydrophobicContact CD1-CB 4.38Å; F400-K404 HydrophobicContact CE1-CB 3.93Å; F400-K404 HydrophobicContact CE1-CD 4.47Å; F400-K404 HydrophobicContact CZ-CB 4.05Å; F400-K404 WeakPolarHBondContact O-CB 3.47Å; F400-K404 PolarHBondContact O-N 3.5Å; F400-W415 HydrophobicContact CD2-CZ3 4.48Å; F400-W415 HydrophobicContact CE2-CE3 4.48Å; F400-W415 AromaticContact CE2-CZ3 3.75Å; F400-W415 HydrophobicContact CE2-CZ3 3.75Å; F400-W415 HydrophobicContact CZ-CZ3 4.38Å
401T98.3Very high96.4Very high51 Ų5155.5 Ų55.531%0.31331%0.313SS..Hα-helixtrans-61.1-36-178.1-65.60000113.1H397 D398 A399H397-T401 WeakPolarHBondContact O-CB 3.35Å; H397-T401 PolarHBondContact O-N 3.06Å; H397-T401 PolarHBondContact O-OG1 2.93Å; D398-T401 WeakPolarHBondContact O-CB 3.33Å; D398-T401 PolarHBondContact O-N 3.49Å; A399-T401 VanDerWaalsContact C-N 3.3Å; A399-T401 PolarHBondContact O-N 3.21Å
402V97.9Very high95.8Very high43 Ų4359.9 Ų59.926%0.26133%0.331SS..Hα-helixtrans-82.5-8.8176.6-59.50000114.9V368 R383 C385 D398 A399 F400V368-V402 HydrophobicContact CB-CG2 4.03Å; V368-V402 HydrophobicContact CG1-CG2 4.39Å; V368-V402 HydrophobicContact CG2-CG2 3.85Å; R383-V402 HydrophobicContact CB-CB 4.07Å; R383-V402 HydrophobicContact CB-CG2 4Å; C385-V402 HydrophobicContact CB-CG1 4.07Å; D398-V402 PolarHBondContact O-N 3.25Å; D398-V402 VanDerWaalsContact O-N 3.09Å; A399-V402 WeakPolarHBondContact O-CG2 3.35Å; A399-V402 PolarHBondContact O-N 3.35Å; F400-V402 VanDerWaalsContact C-N 3.32Å; F400-V402 PolarHBondContact O-N 3.43Å
403I97.4Very high95.6Very high0 Ų063.2 Ų63.20%035%0.351CS..Hα-helixtrans-115.5-13.9177.170.4169.6000115.1V337 L341 V368 I370 L381 A399 F400 N405 C406 W415 L422V337-I403 HydrophobicContact CG1-CD1 4.18Å; L341-I403 HydrophobicContact CD1-CD1 4.25Å; V368-I403 HydrophobicContact CG1-CG2 3.69Å; I370-I403 HydrophobicContact CD1-CB 4.36Å; I370-I403 HydrophobicContact CD1-CG2 4.5Å; I370-I403 HydrophobicContact CG2-CD1 3.83Å; I370-I403 HydrophobicContact CG2-CG2 4.27Å; L381-I403 HydrophobicContact CD2-CG2 4.39Å; A399-I403 WeakPolarHBondContact O-CG1 3.34Å; A399-I403 PolarHBondContact O-N 2.81Å; F400-I403 PolarHBondContact O-N 2.88Å; F400-I403 VanDerWaalsContact O-N 3.1Å; I403-N405 PolarHBondContact O-N 3.02Å; I403-N405 VanDerWaalsContact O-N 3.11Å; I403-C406 VanDerWaalsContact O-CB 3.3Å; I403-C406 WeakPolarHBondContact O-CB 3.49Å; I403-C406 PolarHBondContact O-N 3.04Å; I403-W415 HydrophobicContact CD1-CH2 4.24Å; I403-W415 HydrophobicContact CG1-CH2 4.04Å; I403-W415 WeakPolarHBondContact O-CH2 3.35Å; I403-L422 HydrophobicContact CD1-CD2 4.37Å
404K95.4Very high95.5Very high97 Ų9761.4 Ų61.442%0.42234%0.343SS..G310 helixtrans-54.6-33.3-176.470.2-174.1176.4176.80113.6F400 C406 N407F400-K404 HydrophobicContact CD1-CB 4.38Å; F400-K404 HydrophobicContact CE1-CB 3.93Å; F400-K404 HydrophobicContact CE1-CD 4.47Å; F400-K404 HydrophobicContact CZ-CB 4.05Å; F400-K404 WeakPolarHBondContact O-CB 3.47Å; F400-K404 PolarHBondContact O-N 3.5Å; K404-C406 PolarHBondContact O-N 3.47Å; K404-C406 VanDerWaalsContact O-N 3.11Å; K404-N407 WeakPolarHBondContact O-CB 3.47Å; K404-N407 PolarHBondContact O-N 3.22Å; K404-N407 VanDerWaalsContact O-N 3.12Å
405N94.4Very high95.5Very high141 Ų14158.2 Ų58.275%0.75433%0.329SS*.G310 helixtrans-70.6-0176.9-62.323.2000113.6I403I403-N405 PolarHBondContact O-N 3.02Å; I403-N405 VanDerWaalsContact O-N 3.11Å
406C93.7Very high95.4Very high33 Ų3360.5 Ų60.522%0.22335%0.345CS..G310 helixtrans-99.20.4172.5-59.20000113I370 L381 I403 K404I370-C406 HydrophobicContact CD1-CB 4.27Å; L381-C406 VanDerWaalsContact CD2-SG 3.52Å; I403-C406 VanDerWaalsContact O-CB 3.3Å; I403-C406 WeakPolarHBondContact O-CB 3.49Å; I403-C406 PolarHBondContact O-N 3.04Å; K404-C406 PolarHBondContact O-N 3.47Å; K404-C406 VanDerWaalsContact O-N 3.11Å
407N95.9Very high95.3Very high34 Ų3461.7 Ų61.718%0.18235%0.353CS..  trans-79.1124.6162.3-173.912000109K404 S409 E414 W415 S416K404-N407 WeakPolarHBondContact O-CB 3.47Å; K404-N407 PolarHBondContact O-N 3.22Å; K404-N407 VanDerWaalsContact O-N 3.12Å; N407-S409 PolarHBondContact OD1-N 3.1Å; N407-S409 VanDerWaalsContact OD1-N 3.07Å; N407-E414 PolarHBondContact ND2-O 2.88Å; N407-W415 HydrophobicContact CB-CD2 4Å; N407-W415 HydrophobicContact CB-CE3 4Å; N407-W415 HydrophobicContact CB-CH2 4.27Å; N407-W415 HydrophobicContact CB-CZ2 4.25Å; N407-W415 HydrophobicContact CB-CZ3 4.13Å; N407-W415 WeakPolarHBondContact OD1-CA 3.11Å; N407-S416 CarbonylContact C-O 3.59Å; N407-S416 WeakPolarHBondContact CA-O 3.38Å; N407-S416 PolarHBondContact OD1-N 2.94Å; N407-S416 PolarHBondContact OD1-O 3.25Å
408T94.6Very high95.3Very high106 Ų10657.6 Ų57.665%0.6534%0.336SS*.  trans-106.74.1177.968.30000112.8S416T408-S416 PolarHBondContact N-O 3.01Å; T408-S416 PolarHBondContact OG1-O 3.24Å
409S92.5Very high95.3Very high28 Ų2856.1 Ų56.120%0.19633%0.328CS..  trans-70.9141.8168.4-1750000110.3N407 I411 E414N407-S409 PolarHBondContact OD1-N 3.1Å; N407-S409 VanDerWaalsContact OD1-N 3.07Å; S409-I411 PolarHBondContact O-N 3.38Å; S409-I411 PolarHBondContact OG-N 3.04Å; S409-I411 VanDerWaalsContact OG-N 3.1Å; S409-E414 PolarHBondContact OG-OE2 3.46Å
410G86.6Confident95.3Very high89 Ų8957 Ų5792%0.91833%0.333SS*.SBendtrans-72.7-8168.700000113.4
411I92.3Very high95.3Very high92 Ų9256.3 Ų56.347%0.47233%0.331SS..SBendtrans-107120.5-176.9-53.1179.2000109.5S409 T413 E414S409-I411 PolarHBondContact O-N 3.38Å; S409-I411 PolarHBondContact OG-N 3.04Å; S409-I411 VanDerWaalsContact OG-N 3.1Å; I411-T413 VanDerWaalsContact C-N 3.27Å; I411-T413 WeakPolarHBondContact CG2-OG1 3.49Å; I411-T413 PolarHBondContact O-N 3.08Å; I411-E414 HydrophobicContact CB-CB 4.4Å; I411-E414 HydrophobicContact CB-CG 4.06Å; I411-E414 HydrophobicContact CG2-CG 4.18Å; I411-E414 PolarHBondContact O-N 3.32Å; I411-E414 VanDerWaalsContact O-N 3.15Å
412Q86.6Confident95.3Very high159 Ų15954 Ų5474%0.74332%0.316SS*.THydrogen-bonded Turntrans-68.3-17-170.5-167.4179.1500115.1R334R334-Q412 VanDerWaalsContact CD-O 3.28Å; R334-Q412 WeakPolarHBondContact CD-O 3.47Å; R334-Q412 PolarHBondContact NE-O 2.82Å
413T94.6Very high95.3Very high72 Ų7254.5 Ų54.544%0.44232%0.315SS..THydrogen-bonded Turntrans-85.5-27.7174.446.50000112.7T333 R334 I411T333-T413 CarbonylContact C-O 3.52Å; T333-T413 VanDerWaalsContact CA-O 3.29Å; T333-T413 WeakPolarHBondContact CA-O 3.13Å; T333-T413 WeakPolarHBondContact CB-O 3.15Å; R334-T413 PolarHBondContact N-O 3.32Å; I411-T413 VanDerWaalsContact C-N 3.27Å; I411-T413 WeakPolarHBondContact CG2-OG1 3.49Å; I411-T413 PolarHBondContact O-N 3.08Å
414E96.5Very high95.4Very high86 Ų8654.5 Ų54.540%0.40232%0.315SS..EExtended strand (participates in β ladder)trans-78.5162.3177.4-64.1-173.4158.100111.7N407 S409 I411N407-E414 PolarHBondContact ND2-O 2.88Å; S409-E414 PolarHBondContact OG-OE2 3.46Å; I411-E414 HydrophobicContact CB-CB 4.4Å; I411-E414 HydrophobicContact CB-CG 4.06Å; I411-E414 HydrophobicContact CG2-CG 4.18Å; I411-E414 PolarHBondContact O-N 3.32Å; I411-E414 VanDerWaalsContact O-N 3.15Å
415W97.6Very high95.5Very high5 Ų550.4 Ų50.42%0.01930%0.299CS..EExtended strand (participates in β ladder)trans-132.5113.5165.7-168.4-70.3000110.8A332 V337 F400 I403 N407 P417 L419A332-W415 WeakPolarHBondContact CA-O 3.5Å; A332-W415 PolarHBondContact O-N 3.46Å; V337-W415 HydrophobicContact CB-CE3 4.33Å; V337-W415 HydrophobicContact CG1-CE3 4.38Å; V337-W415 HydrophobicContact CG1-CZ3 4.25Å; V337-W415 HydrophobicContact CG2-CB 4.41Å; V337-W415 HydrophobicContact CG2-CD2 3.93Å; V337-W415 HydrophobicContact CG2-CE3 4.04Å; V337-W415 HydrophobicContact CG2-CG 4.07Å; F400-W415 HydrophobicContact CD2-CZ3 4.48Å; F400-W415 HydrophobicContact CE2-CE3 4.48Å; F400-W415 AromaticContact CE2-CZ3 3.75Å; F400-W415 HydrophobicContact CE2-CZ3 3.75Å; F400-W415 HydrophobicContact CZ-CZ3 4.38Å; I403-W415 HydrophobicContact CD1-CH2 4.24Å; I403-W415 HydrophobicContact CG1-CH2 4.04Å; I403-W415 WeakPolarHBondContact O-CH2 3.35Å; N407-W415 HydrophobicContact CB-CD2 4Å; N407-W415 HydrophobicContact CB-CE3 4Å; N407-W415 HydrophobicContact CB-CH2 4.27Å; N407-W415 HydrophobicContact CB-CZ2 4.25Å; N407-W415 HydrophobicContact CB-CZ3 4.13Å; N407-W415 WeakPolarHBondContact OD1-CA 3.11Å; W415-P417 PolarHBondContact NE1-O 3.32Å; W415-L419 HydrophobicContact CZ2-CD1 4Å; W415-L419 HydrophobicContact CZ2-CD2 4.4Å; W415-L419 HydrophobicContact CZ2-CG 4.47Å
416S96.4Very high95.8Very high50 Ų5043.7 Ų43.735%0.3526%0.263SS..EExtended strand (participates in β ladder)trans-132143.9177.3-169.70000110.5N407 T408N407-S416 CarbonylContact C-O 3.59Å; N407-S416 WeakPolarHBondContact CA-O 3.38Å; N407-S416 PolarHBondContact OD1-N 2.94Å; N407-S416 PolarHBondContact OD1-O 3.25Å; T408-S416 PolarHBondContact N-O 3.01Å; T408-S416 PolarHBondContact OG1-O 3.24Å
417P96.8Very high96Very high40 Ų4043.1 Ų43.126%0.2626%0.258SS..EExtended strand (participates in β ladder)cis-63.9146.7-15.228.6-35.5000111.4V372 W415V372-P417 HydrophobicContact CB-CB 4.33Å; V372-P417 HydrophobicContact CB-CG 3.83Å; V372-P417 HydrophobicContact CG1-CG 3.84Å; V372-P417 HydrophobicContact CG2-CG 4.37Å; W415-P417 PolarHBondContact NE1-O 3.32Å
418P98.1Very high96Very high28 Ų2847.8 Ų47.818%0.18228%0.277CS..EExtended strand (participates in β ladder)trans-57.9146.4-176-28.436.8000114.1A330 L331 A332 V372 Q373A330-P418 HydrophobicContact CB-CB 3.8Å; L331-P418 CarbonylContact O-C 3.59Å; L331-P418 VanDerWaalsContact O-CA 3.23Å; L331-P418 WeakPolarHBondContact O-CA 3.44Å; A332-P418 HydrophobicContact CB-CB 4.37Å; A332-P418 HydrophobicContact CB-CG 4.22Å; V372-P418 CarbonylContact C-O 3.58Å; Q373-P418 PolarHBondContact N-O 3.18Å
419L98.3Very high96.2Very high0 Ų045 Ų450%026%0.256CS..EExtended strand (participates in β ladder)trans-88.8123.8-178.2-56.4-172.1000112A330 L331 V337 I370 R371 V372 W415 L422A330-L419 CarbonylContact C-O 3.56Å; A330-L419 WeakPolarHBondContact CA-O 3.36Å; L331-L419 HydrophobicContact CB-CB 4.27Å; L331-L419 PolarHBondContact N-O 2.97Å; L331-L419 PolarHBondContact O-N 2.9Å; V337-L419 HydrophobicContact CG1-CD1 4.14Å; V337-L419 HydrophobicContact CG2-CD1 3.9Å; V337-L419 HydrophobicContact CG2-CG 4.45Å; I370-L419 HydrophobicContact CD1-CD2 3.96Å; I370-L419 HydrophobicContact CG2-CD1 4.36Å; R371-L419 CarbonylContact O-C 3.55Å; R371-L419 WeakPolarHBondContact O-CA 3.37Å; V372-L419 HydrophobicContact CG1-CD2 3.98Å; W415-L419 HydrophobicContact CZ2-CD1 4Å; W415-L419 HydrophobicContact CZ2-CD2 4.4Å; W415-L419 HydrophobicContact CZ2-CG 4.47Å; L419-L422 HydrophobicContact CD1-CD2 3.66Å
420T98.3Very high96.3Very high18 Ų1846.4 Ų46.411%0.1127%0.266CS..EExtended strand (participates in β ladder)trans-97.7-2.6176.767.60000113.6N324 F325 A330 R371 V372 Q373N324-T420 WeakPolarHBondContact CA-O 3.49Å; F325-T420 PolarHBondContact N-O 2.91Å; F325-T420 WeakPolarHBondContact O-CA 3.42Å; A330-T420 HydrophobicContact CB-CG2 4.12Å; R371-T420 PolarHBondContact NE-OG1 3.14Å; R371-T420 PolarHBondContact NH2-O 3.07Å; R371-T420 PolarHBondContact O-N 3.07Å; R371-T420 PolarHBondContact O-OG1 3.29Å; V372-T420 PolarHBondContact O-OG1 2.86Å; Q373-T420 HydrophobicContact CB-CG2 4.07Å; Q373-T420 HydrophobicContact CG-CG2 4.42Å
421M98.6Very high96.6Very high11 Ų1145.9 Ų45.95%0.05425%0.253CS..EExtended strand (participates in β ladder)trans-159.5143.6171.5178-88.1-73.400111.9K323 N324 I370 R371 L378 F423K323-M421 WeakPolarHBondContact O-CA 3.46Å; N324-M421 WeakPolarHBondContact OD1-CB 3.35Å; N324-M421 WeakPolarHBondContact OD1-CG 3.27Å; I370-M421 WeakPolarHBondContact CA-O 3.23Å; R371-M421 HydrophobicContact CB-CB 3.87Å; R371-M421 HydrophobicContact CB-CE 4.15Å; R371-M421 PolarHBondContact N-O 3.47Å; R371-M421 PolarHBondContact O-N 3.23Å; L378-M421 VanDerWaalsContact O-CE 3.25Å; L378-M421 WeakPolarHBondContact O-CE 2.99Å; M421-F423 HydrophobicContact CE-CB 4.48Å; M421-F423 HydrophobicContact SD-CB 3.51Å; M421-F423 VanDerWaalsContact SD-CB 3.51Å; M421-F423 PolarHBondContact SD-N 2.85Å
422L98.6Very high96Very high1 Ų143.9 Ų43.91%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-123.5134.7163.1-65.6178000109.8S322 K323 F325 L331 W340 L341 L344 I370 I403 L419S322-L422 WeakPolarHBondContact CA-O 3.34Å; K323-L422 PolarHBondContact N-O 3.32Å; K323-L422 PolarHBondContact O-N 3.1Å; F325-L422 HydrophobicContact CE2-CB 4.12Å; F325-L422 HydrophobicContact CE2-CD1 4.16Å; F325-L422 HydrophobicContact CE2-CG 3.95Å; L331-L422 HydrophobicContact CD1-CD1 3.63Å; L331-L422 HydrophobicContact CD1-CG 4.14Å; W340-L422 HydrophobicContact CB-CD1 3.67Å; L341-L422 HydrophobicContact CD2-CD1 4.26Å; L341-L422 HydrophobicContact CD2-CD2 4.38Å; L341-L422 HydrophobicContact CG-CD1 4.13Å; L344-L422 HydrophobicContact CD1-CB 3.56Å; I370-L422 HydrophobicContact CG2-CD2 3.59Å; I403-L422 HydrophobicContact CD1-CD2 4.37Å; L419-L422 HydrophobicContact CD1-CD2 3.66Å
423F98.8Very high95.2Very high54 Ų5440.1 Ų40.124%0.23724%0.243CC..EExtended strand (participates in β ladder)trans-138.3122.9176.7175.3-132.6000110.8C321 S369 M421 C425C321-F423 WeakPolarHBondContact O-CA 3.37Å; C321-F423 WeakPolarHBondContact O-CD2 3.41Å; S369-F423 PolarHBondContact N-O 2.85Å; S369-F423 PolarHBondContact O-N 3.35Å; M421-F423 HydrophobicContact CE-CB 4.48Å; M421-F423 HydrophobicContact SD-CB 3.51Å; M421-F423 VanDerWaalsContact SD-CB 3.51Å; M421-F423 PolarHBondContact SD-N 2.85Å; F423-C425 HydrophobicContact CD1-CB 4.43Å; F423-C425 HydrophobicContact CE1-CB 3.75Å; F423-C425 HydrophobicContact CE2-CB 4.01Å; F423-C425 HydrophobicContact CZ-CB 3.52Å
424L98.8Very high93.5Very high0 Ų041.3 Ų41.30%025%0.252CS..EExtended strand (participates in β ladder)trans-107.5136169.8-60.6-175.6000108.9G320 C321 L341 L344 A345 L348 L366 V368 A399G320-L424 CarbonylContact C-O 3.59Å; G320-L424 WeakPolarHBondContact CA-O 3.29Å; C321-L424 PolarHBondContact N-O 3.44Å; C321-L424 PolarHBondContact O-N 3.49Å; L341-L424 HydrophobicContact CD2-CD2 3.97Å; L341-L424 HydrophobicContact CD2-CG 4.46Å; L344-L424 HydrophobicContact CB-CD1 3.8Å; L344-L424 HydrophobicContact CB-CG 4.14Å; A345-L424 HydrophobicContact CB-CD1 3.96Å; L348-L424 HydrophobicContact CD2-CB 3.87Å; L366-L424 HydrophobicContact CD1-CB 4.26Å; V368-L424 HydrophobicContact CB-CD2 4.43Å; V368-L424 HydrophobicContact CG1-CD2 4.04Å; V368-L424 HydrophobicContact CG2-CD2 4.01Å; A399-L424 HydrophobicContact CB-CD2 3.6Å
425C98.7Very high91.3Very high11 Ų1142.6 Ų42.67%0.07427%0.271CS..EExtended strand (participates in β ladder)trans-145.9114.8-175.9-1680000111.2I319 A367 F423I319-C425 CarbonylContact O-C 3.56Å; I319-C425 WeakPolarHBondContact O-CA 3.2Å; A367-C425 HydrophobicContact CB-CB 4.32Å; A367-C425 PolarHBondContact N-O 2.88Å; A367-C425 PolarHBondContact O-N 3.43Å; F423-C425 HydrophobicContact CD1-CB 4.43Å; F423-C425 HydrophobicContact CE1-CB 3.75Å; F423-C425 HydrophobicContact CE2-CB 4.01Å; F423-C425 HydrophobicContact CZ-CB 3.52Å
426A98.8Very high88.8Confident0 Ų047.5 Ų47.50%031%0.306CS..EExtended strand (participates in β ladder)trans-79.9131.217200000110.6T318 I319 L348 L352 A363 Q365 L387T318-A426 WeakPolarHBondContact CA-O 3.38Å; I319-A426 PolarHBondContact N-O 2.99Å; I319-A426 PolarHBondContact O-N 3.39Å; L348-A426 HydrophobicContact CD1-CB 4.1Å; L352-A426 HydrophobicContact CD1-CB 3.83Å; L352-A426 HydrophobicContact CD2-CB 3.7Å; L352-A426 HydrophobicContact CG-CB 4.23Å; A363-A426 HydrophobicContact CB-CB 3.82Å; Q365-A426 WeakPolarHBondContact O-CA 3.17Å; L387-A426 HydrophobicContact CD2-CB 3.79Å
427T98.3Very high86.4Confident21 Ų2150 Ų5013%0.12932%0.322CS..EExtended strand (participates in β ladder)trans-140.6177.8-173.978.40000110.5T318 T364 Q365 A367T318-T427 HydrophobicContact CG2-CG2 3.73Å; T364-T427 PolarHBondContact N-O 3.14Å; Q365-T427 WeakPolarHBondContact CB-OG1 3.37Å; Q365-T427 WeakPolarHBondContact CG-OG1 3.5Å; Q365-T427 PolarHBondContact N-O 2.9Å; Q365-T427 VanDerWaalsContact N-O 3.16Å; Q365-T427 PolarHBondContact O-N 2.84Å; Q365-T427 PolarHBondContact OE1-OG1 3.07Å; A367-T427 HydrophobicContact CB-CG2 4.29Å
428K97.1Very high84.1Confident132 Ų13254.2 Ų54.257%0.57435%0.347SS*.EExtended strand (participates in β ladder)trans52.763.8-178.4-61.2-169.8178.4-168.60112T364 Q365T364-K428 PolarHBondContact N-O 3.07Å; T364-K428 VanDerWaalsContact OG1-CB 3.27Å; T364-K428 WeakPolarHBondContact OG1-CB 3.28Å; T364-K428 PolarHBondContact OG1-O 3.16Å; Q365-K428 HydrophobicContact CB-CB 4.16Å; Q365-K428 HydrophobicContact CB-CD 4.05Å; Q365-K428 HydrophobicContact CB-CG 4.12Å
429F97.7Very high81.4Confident48 Ų4857.1 Ų57.121%0.21136%0.361CS..EExtended strand (participates in β ladder)trans-68.4133170.6-73.3-92.4000110.7K317 I319 L352 D355 R361 V362 A363K317-F429 WeakPolarHBondContact O-CD2 3.41Å; I319-F429 HydrophobicContact CB-CZ 4.42Å; I319-F429 HydrophobicContact CD1-CZ 3.96Å; I319-F429 HydrophobicContact CG1-CE2 4.47Å; I319-F429 HydrophobicContact CG1-CZ 3.94Å; L352-F429 HydrophobicContact CD2-CE1 4.22Å; L352-F429 HydrophobicContact CD2-CZ 4.03Å; D355-F429 WeakPolarHBondContact OD2-CE1 3.12Å; R361-F429 HydrophobicContact CB-CD1 4.19Å; R361-F429 HydrophobicContact CG-CD1 3.74Å; R361-F429 HydrophobicContact CG-CE1 4.23Å; V362-F429 CarbonylContact O-C 3.57Å; V362-F429 VanDerWaalsContact O-CA 3.28Å; V362-F429 WeakPolarHBondContact O-CA 3.34Å; A363-F429 HydrophobicContact CB-CD1 3.98Å; A363-F429 HydrophobicContact CB-CD2 4.37Å; A363-F429 HydrophobicContact CB-CE1 3.72Å; A363-F429 HydrophobicContact CB-CE2 4.11Å; A363-F429 HydrophobicContact CB-CG 4.31Å; A363-F429 HydrophobicContact CB-CZ 3.79Å
430S95.1Very high79.4Confident57 Ų5763.5 Ų63.540%0.39939%0.394SS..EExtended strand (participates in β ladder)trans-111165160.8620000109.4R361 V362R361-S430 CarbonylContact C-O 3.51Å; R361-S430 VanDerWaalsContact CA-O 3.26Å; R361-S430 WeakPolarHBondContact CA-O 3.11Å; R361-S430 WeakPolarHBondContact CB-O 3.2Å; V362-S430 WeakPolarHBondContact CG2-OG 3.4Å; V362-S430 PolarHBondContact N-O 2.98Å; V362-S430 PolarHBondContact O-N 2.82Å
431A93.1Very high77.1Confident78 Ų7866.6 Ų66.665%0.64541%0.413SS*.EExtended strand (participates in β ladder)trans-55.7149.5161.300000109.8
432S79.6Confident74.7Confident51 Ų5169.4 Ų69.436%0.35743%0.433SS..PPolyproline II helixtrans-66146165.2-169.80000109.1D360D360-S432 WeakPolarHBondContact O-CB 3.43Å; D360-S432 PolarHBondContact O-N 3.49Å
433A70.2Confident72.2Confident80 Ų8077.5 Ų77.566%0.66147%0.469SS*.PPolyproline II helixtrans-65.4143.216400000108.8
434P57.3Low69.9Low97 Ų9781.3 Ų81.363%0.6349%0.491SS*.PPolyproline II helixtrans-61.1141.2173.926.4-34000109.9S436P434-S436 PolarHBondContact O-N 3.45Å
435S50.9Low67.5Low113 Ų11386.1 Ų86.179%0.7953%0.525SS*.THydrogen-bonded Turntrans-65.8-10.2-175.645.90000114.4C437 T438S435-C437 PolarHBondContact O-N 3.32Å; S435-T438 PolarHBondContact O-OG1 3.4Å
436S45.3Very low64.8Low108 Ų10889.9 Ų89.976%0.75555%0.551SS**THydrogen-bonded Turntrans-78.315.6-176.7620000115.7P434P434-S436 PolarHBondContact O-N 3.45Å
437C46.6Very low61.9Low102 Ų10296 Ų9669%0.68958%0.584SS**  trans-144.862.4175.3-158.80000112S435S435-C437 PolarHBondContact O-N 3.32Å
438T47.8Very low59.1Low128 Ų128101.2 Ų101.279%0.78562%0.618SS**  trans-121.434.517447.20000113.1S435S435-T438 PolarHBondContact O-OG1 3.4Å
439D41.4Very low56.3Low89 Ų8999.7 Ų99.748%0.47662%0.624SS.*  trans-143.8107.2164.3-143-35000113.6T441 S442D439-T441 PolarHBondContact O-N 2.7Å; D439-T441 WeakPolarHBondContact OD1-CB 3.37Å; D439-T441 WeakPolarHBondContact OD1-CG2 3.45Å; D439-T441 PolarHBondContact OD1-N 3.05Å; D439-T441 PolarHBondContact OD1-OG1 3.08Å; D439-T441 PolarHBondContact OD2-OG1 3.09Å; D439-S442 PolarHBondContact O-N 3.34Å; D439-S442 PolarHBondContact O-OG 2.72Å
440I56.1Low53.2Low135 Ų135102.1 Ų102.169%0.69265%0.647SS**Hα-helixtrans-62.3-24.9175-77.6175.4000111S442 F443 L444I440-S442 VanDerWaalsContact C-N 3.35Å; I440-S442 PolarHBondContact O-N 3.03Å; I440-F443 PolarHBondContact O-N 2.99Å; I440-L444 HydrophobicContact CG2-CD1 3.63Å; I440-L444 HydrophobicContact CG2-CG 4.09Å; I440-L444 WeakPolarHBondContact O-CG 3.3Å; I440-L444 PolarHBondContact O-N 3.42Å; I440-L444 VanDerWaalsContact O-N 3.09Å
441T50.8Low50.3Low82 Ų82108 Ų10850%0.50367%0.673SS.*Hα-helixtrans-58.8-45.1174.262.60000111.4D439 F443 L444 S445D439-T441 PolarHBondContact O-N 2.7Å; D439-T441 WeakPolarHBondContact OD1-CB 3.37Å; D439-T441 WeakPolarHBondContact OD1-CG2 3.45Å; D439-T441 PolarHBondContact OD1-N 3.05Å; D439-T441 PolarHBondContact OD1-OG1 3.08Å; D439-T441 PolarHBondContact OD2-OG1 3.09Å; T441-F443 VanDerWaalsContact C-N 3.29Å; T441-F443 PolarHBondContact O-N 3.37Å; T441-L444 CarbonylContact O-C 3.47Å; T441-L444 PolarHBondContact O-N 2.92Å; T441-S445 WeakPolarHBondContact O-CB 3.33Å; T441-S445 PolarHBondContact O-N 3.46Å; T441-S445 PolarHBondContact O-OG 3.4Å; T441-S445 VanDerWaalsContact O-OG 3.08Å
442S48.3Very low47.4Very low70 Ų70112.3 Ų112.349%0.4968%0.684SS.*Hα-helixtrans-58.3-38178.369.40000113.4D439 I440 S446D439-S442 PolarHBondContact O-N 3.34Å; D439-S442 PolarHBondContact O-OG 2.72Å; I440-S442 VanDerWaalsContact C-N 3.35Å; I440-S442 PolarHBondContact O-N 3.03Å; S442-S446 PolarHBondContact O-OG 2.84Å
443F45.1Very low45.1Very low171 Ų171119.4 Ų119.475%0.7571%0.709SS**Hα-helixtrans-73.5-29.2177.5-164.9-91.6000112.2I440 T441I440-F443 PolarHBondContact O-N 2.99Å; T441-F443 VanDerWaalsContact C-N 3.29Å; T441-F443 PolarHBondContact O-N 3.37Å
444L50Low43.2Very low135 Ų135121.6 Ų121.671%0.70771%0.714SS**Hα-helixtrans-93.5-12.7179.5-65.1179000114.3I440 T441I440-L444 HydrophobicContact CG2-CD1 3.63Å; I440-L444 HydrophobicContact CG2-CG 4.09Å; I440-L444 WeakPolarHBondContact O-CG 3.3Å; I440-L444 PolarHBondContact O-N 3.42Å; I440-L444 VanDerWaalsContact O-N 3.09Å; T441-L444 CarbonylContact O-C 3.47Å; T441-L444 PolarHBondContact O-N 2.92Å
445S50.1Low41.8Very low100 Ų100122.8 Ų122.870%0.69972%0.721SS**SBendtrans-99.410.1177.3-60.50000113.8T441 D447T441-S445 WeakPolarHBondContact O-CB 3.33Å; T441-S445 PolarHBondContact O-N 3.46Å; T441-S445 PolarHBondContact O-OG 3.4Å; T441-S445 VanDerWaalsContact O-OG 3.08Å; S445-D447 PolarHBondContact O-N 3.36Å
446S40.3Very low40.9Very low91 Ų91123.7 Ų123.764%0.63672%0.722SS**  trans-88.6103.2177.2-66.80000110.9S442S442-S446 PolarHBondContact O-OG 2.84Å
447D38Very low39.9Very low129 Ų129124.5 Ų124.569%0.6972%0.722SS**  trans-66.3142.2178.9-136.3-20.2000111.1S445 S449S445-D447 PolarHBondContact O-N 3.36Å; D447-S449 PolarHBondContact O-N 2.93Å
448P40.6Very low39.2Very low129 Ų129124.2 Ų124.284%0.83872%0.722SS**THydrogen-bonded Turntrans-70.615.7-170.3-21.434.9000117
449S38.6Very low38.5Very low101 Ų101124.7 Ų124.771%0.70672%0.719SS**THydrogen-bonded Turntrans-118.921.7-158.157.90000115.7D447D447-S449 PolarHBondContact O-N 2.93Å
450S31.8Very low38Very low99 Ų99127.8 Ų127.869%0.69273%0.73SS**  trans-129.892.1172.763.70000113.9L452S450-L452 PolarHBondContact O-N 3.42Å
451L35.1Very low36.8Very low180 Ų180125.2 Ų125.294%0.94273%0.729SS**  trans-71.5110.4165.3-75.9169.6000110K453L451-K453 PolarHBondContact O-N 3.43Å
452L31.2Very low35.8Very low168 Ų168129.7 Ų129.788%0.8874%0.742SS**PPolyproline II helixtrans-70.5126.3174.9-82.1168000111.2S450S450-L452 PolarHBondContact O-N 3.42Å
453K31.1Very low35Very low201 Ų201131 Ų13187%0.87475%0.746SS**PPolyproline II helixtrans-75.7134.4176.9-64.1175.1-180175.70110.4L451L451-K453 PolarHBondContact O-N 3.43Å
454V30Very low34.3Very low126 Ų126131.9 Ų131.976%0.76475%0.753SS**PPolyproline II helixtrans-82.1129.9165.9-178.70000108.6
455P29.6Very low33.1Very low121 Ų121128.3 Ų128.379%0.78675%0.749SS**PPolyproline II helixtrans-76.2150.6175.431.5-34.6000111.9
456V31.1Very low32Very low133 Ų133129.9 Ų129.981%0.80676%0.76SS**  trans-133.2125.2-177.5175.80000111.3
457T25.4Very low31.1Very low125 Ų125128.7 Ų128.777%0.76776%0.762SS**  trans-154114.6162.2430000106.5
458S30.8Very low31Very low96 Ų96128.3 Ų128.367%0.67177%0.767SS**  72.2130.963.976.80000112.9
459L32.3Very low30.3Very low138 Ų138128.3 Ų128.372%0.72376%0.764SS**  cis-164.1148.24.9-158.876.5000111.6
460E32.8Very low29.7Very low154 Ų154129.6 Ų129.672%0.7277%0.768SS**  trans51160.8153.3-79.4162.8-133.400120.5
461A30.5Very low29.4Very low81 Ų81131 Ų13167%0.66977%0.772SS**  cis-156-177.620.300000108
462K29.6Very low29.2Very low176 Ų176126.9 Ų126.977%0.76576%0.764SS**  cis-176.4168.1-14.6-97.1174.8179178.50105.3
463T30.6Very low29.1Very low96 Ų96125.6 Ų125.659%0.58976%0.763SS**  cis-167.3147.2-10.3-102.60000109
464E30.7Very low29.3Very low190 Ų190126 Ų12689%0.88877%0.765SS**  trans60150.7162.9-77.3150.9-134.300121.3
465G25Very low29.3Very low60 Ų60130 Ų13062%0.61977%0.772SS**  cis179.1-177.9-4.400000116.2
466S26.9Very low29.5Very low133 Ų133128.9 Ų128.993%0.9377%0.773SS**  trans73.3151176.4780000119.3
467G22.1Very low29.8Very low67 Ų67128.6 Ų128.669%0.69177%0.772SS**  trans-128.2-159.5170.500000110.2
468P36.3Very low31Very low120 Ų120127.1 Ų127.178%0.77976%0.763SS**  cis-145.2167.529.442.4-23.4000118.7
469V26Very low32Very low129 Ų129127.2 Ų127.278%0.78276%0.763SS**  trans70.8122.8140.9162.80000122
470V25.6Very low32.8Very low129 Ų129126.1 Ų126.178%0.78276%0.758SS**  trans69136.3156.2163.30000116.3
471T25.7Very low33.6Very low128 Ų128124.4 Ų124.479%0.78575%0.75SS**  cis-136.6172.828.2-350000113.7
472A30.8Very low34.6Very low93 Ų93123.6 Ų123.677%0.76974%0.739SS**  trans-59.2154.5-176.500000117.3
473T28.6Very low35.6Very low141 Ų141122.4 Ų122.487%0.86573%0.734SS**  trans-146.5139.9155.8-20.40000110.8
474K34.1Very low36.7Very low209 Ų209124.4 Ų124.491%0.90974%0.735SS**PPolyproline II helixtrans-81.7131.3179-63.8170.3-179.3173.50110.1
475K30.8Very low38Very low210 Ų210121.4 Ų121.491%0.91372%0.721SS**PPolyproline II helixtrans-86.8136.9160.4-85.3-173.7173.6179.80109.8
476A33.2Very low39.5Very low99 Ų99125 Ų12582%0.81872%0.72SS**PPolyproline II helixtrans-81.3134.7175.600000110.6
477T37.4Very low40.6Very low127 Ų127121 Ų12178%0.77970%0.695SS**PPolyproline II helixtrans-75.6145.1168.638.50000110.5
478T50.8Low42.2Very low93 Ų93120.4 Ų120.457%0.57168%0.683SS**PPolyproline II helixtrans-78.5145.1-17859.40000111.1L480 E481T478-L480 PolarHBondContact O-N 2.97Å; T478-E481 PolarHBondContact O-N 3.02Å; T478-E481 PolarHBondContact OG1-OE2 3.1Å
479S53Low42.9Very low98 Ų98119.9 Ų119.969%0.68567%0.67SS**Hα-helixtrans-60.4-23.3-171.254.50000114.3S482 F483S479-S482 PolarHBondContact O-N 3.41Å; S479-S482 PolarHBondContact O-OG 2.88Å; S479-F483 PolarHBondContact O-N 2.93Å
480L48Very low44Very low116 Ų116123.6 Ų123.661%0.60767%0.67SS**Hα-helixtrans-64.9-42.6-176.8-14276.7000112.9T478 S482 F483 F484T478-L480 PolarHBondContact O-N 2.97Å; L480-S482 VanDerWaalsContact C-N 3.34Å; L480-S482 PolarHBondContact O-N 2.78Å; L480-F483 WeakPolarHBondContact O-CB 3.34Å; L480-F483 PolarHBondContact O-N 2.91Å; L480-F483 VanDerWaalsContact O-N 3.13Å; L480-F484 HydrophobicContact CD2-CE2 4.18Å; L480-F484 HydrophobicContact CG-CE2 4.01Å; L480-F484 VanDerWaalsContact O-CD2 3.3Å; L480-F484 WeakPolarHBondContact O-CD2 3.42Å; L480-F484 PolarHBondContact O-N 3.01Å
481E49.6Very low44.9Very low117 Ų117124.1 Ų124.155%0.54766%0.664SS.*Hα-helixtrans-64.2-41.9180-65170.5112.900110.8T478 F483 F484 Q485T478-E481 PolarHBondContact O-N 3.02Å; T478-E481 PolarHBondContact OG1-OE2 3.1Å; E481-F483 PolarHBondContact O-N 2.95Å; E481-F483 VanDerWaalsContact O-N 3.16Å; E481-F484 PolarHBondContact O-N 3.22Å; E481-Q485 PolarHBondContact O-N 2.87Å
482S52.3Low45.7Very low65 Ų65125.8 Ų125.846%0.45566%0.66SS.*Hα-helixtrans-63-22.5176.782.60000113.7S479 L480 K486S479-S482 PolarHBondContact O-N 3.41Å; S479-S482 PolarHBondContact O-OG 2.88Å; L480-S482 VanDerWaalsContact C-N 3.34Å; L480-S482 PolarHBondContact O-N 2.78Å; S482-K486 WeakPolarHBondContact O-CG 3.47Å; S482-K486 PolarHBondContact O-N 3.43Å
483F50.1Low46.5Very low150 Ų150126.3 Ų126.366%0.65865%0.654SS**Hα-helixtrans-79.8-45.9178.1-167.8-92.9000111.3S479 L480 E481 K486 A487S479-F483 PolarHBondContact O-N 2.93Å; L480-F483 WeakPolarHBondContact O-CB 3.34Å; L480-F483 PolarHBondContact O-N 2.91Å; L480-F483 VanDerWaalsContact O-N 3.13Å; E481-F483 PolarHBondContact O-N 2.95Å; E481-F483 VanDerWaalsContact O-N 3.16Å; F483-K486 PolarHBondContact O-N 3.38Å; F483-A487 PolarHBondContact O-N 3.08Å; F483-A487 VanDerWaalsContact O-N 3.11Å
484F53.9Low46.9Very low139 Ų139127.7 Ų127.761%0.6165%0.648SS**Hα-helixtrans-66.8-37.9176.2-71-68.2000112.4L480 E481 K486 A487 A488L480-F484 HydrophobicContact CD2-CE2 4.18Å; L480-F484 HydrophobicContact CG-CE2 4.01Å; L480-F484 VanDerWaalsContact O-CD2 3.3Å; L480-F484 WeakPolarHBondContact O-CD2 3.42Å; L480-F484 PolarHBondContact O-N 3.01Å; E481-F484 PolarHBondContact O-N 3.22Å; F484-K486 PolarHBondContact O-N 2.6Å; F484-A487 PolarHBondContact O-N 2.86Å; F484-A488 PolarHBondContact O-N 3.11Å; F484-A488 VanDerWaalsContact O-N 3.16Å
485Q57.8Low47.2Very low127 Ų127125.1 Ų125.159%0.59364%0.639SS**Hα-helixtrans-54.9-51.9173.4-154.584.66.600111.3E481 A487 A488 E489E481-Q485 PolarHBondContact O-N 2.87Å; Q485-A487 VanDerWaalsContact C-N 3.31Å; Q485-A487 PolarHBondContact O-N 3.14Å; Q485-A488 PolarHBondContact O-N 2.84Å; Q485-E489 WeakPolarHBondContact O-CG 3.31Å; Q485-E489 PolarHBondContact O-N 2.84Å; Q485-E489 VanDerWaalsContact O-N 3.12Å
486K55.9Low47.5Very low136 Ų136118.7 Ų118.759%0.59163%0.625SS**Hα-helixtrans-68.4-24.4-179.5-77.5176.9175.1172.70114.1S482 F483 F484 R490S482-K486 WeakPolarHBondContact O-CG 3.47Å; S482-K486 PolarHBondContact O-N 3.43Å; F483-K486 PolarHBondContact O-N 3.38Å; F484-K486 PolarHBondContact O-N 2.6Å; K486-R490 WeakPolarHBondContact O-CG 3.29Å; K486-R490 PolarHBondContact O-N 3.01Å
487A51.4Low47.7Very low49 Ų49118.6 Ų118.641%0.40562%0.619SS.*Hα-helixtrans-70.3-47.1172.900000111F483 F484 Q485 E489 R490 Q491F483-A487 PolarHBondContact O-N 3.08Å; F483-A487 VanDerWaalsContact O-N 3.11Å; F484-A487 PolarHBondContact O-N 2.86Å; Q485-A487 VanDerWaalsContact C-N 3.31Å; Q485-A487 PolarHBondContact O-N 3.14Å; A487-E489 PolarHBondContact O-N 2.95Å; A487-R490 PolarHBondContact O-N 3.24Å; A487-Q491 PolarHBondContact O-N 3.15Å
488A54Low47.8Very low53 Ų53120.3 Ų120.344%0.43862%0.622SS.*Hα-helixtrans-64-40.3179.100000112.8F484 Q485 R490 Q491 K492F484-A488 PolarHBondContact O-N 3.11Å; F484-A488 VanDerWaalsContact O-N 3.16Å; Q485-A488 PolarHBondContact O-N 2.84Å; A488-R490 VanDerWaalsContact C-N 3.32Å; A488-R490 PolarHBondContact O-N 3.02Å; A488-Q491 PolarHBondContact O-N 3.49Å; A488-K492 PolarHBondContact O-N 3.19Å
489E51.3Low46.7Very low109 Ų109120.6 Ų120.651%0.50963%0.628SS.*Hα-helixtrans-60.3-39.9175.2-72.1169.5170.200112.2Q485 A487 Q491 K492 V493Q485-E489 WeakPolarHBondContact O-CG 3.31Å; Q485-E489 PolarHBondContact O-N 2.84Å; Q485-E489 VanDerWaalsContact O-N 3.12Å; A487-E489 PolarHBondContact O-N 2.95Å; E489-Q491 PolarHBondContact O-N 3.36Å; E489-K492 PolarHBondContact O-N 2.94Å; E489-V493 WeakPolarHBondContact O-CG2 3.45Å; E489-V493 PolarHBondContact O-N 3.45Å
490R49Very low45.6Very low208 Ų208121.2 Ų121.279%0.78563%0.632SS**Hα-helixtrans-72.3-21.2-178.5-78.3-178.2169.2-149.9-5.1114.7K486 A487 A488K486-R490 WeakPolarHBondContact O-CG 3.29Å; K486-R490 PolarHBondContact O-N 3.01Å; A487-R490 PolarHBondContact O-N 3.24Å; A488-R490 VanDerWaalsContact C-N 3.32Å; A488-R490 PolarHBondContact O-N 3.02Å
491Q45.5Very low44.7Very low139 Ų139124.2 Ų124.265%0.6565%0.648SS**Hα-helixtrans-76.2-46.7169.3-78.8-179.4-86.200111.4A487 A488 E489 V493 K494 E495A487-Q491 PolarHBondContact O-N 3.15Å; A488-Q491 PolarHBondContact O-N 3.49Å; E489-Q491 PolarHBondContact O-N 3.36Å; Q491-V493 VanDerWaalsContact C-N 3.29Å; Q491-V493 PolarHBondContact O-N 3.2Å; Q491-K494 PolarHBondContact O-N 2.8Å; Q491-E495 PolarHBondContact O-N 3.07Å
492K43Very low43.7Very low163 Ų163125.4 Ų125.471%0.70966%0.663SS**Hα-helixtrans-58.6-36.4-178.6-71.7-174.9174.7-176.90113.7A488 E489 K494 A496A488-K492 PolarHBondContact O-N 3.19Å; E489-K492 PolarHBondContact O-N 2.94Å; K492-K494 VanDerWaalsContact C-N 3.26Å; K492-K494 PolarHBondContact O-N 2.76Å; K492-A496 PolarHBondContact O-N 3.04Å
493V45.8Very low42.5Very low104 Ų104126.6 Ų126.663%0.6368%0.677SS**Hα-helixtrans-65.2-28.5175.8173.90000112.4E489 Q491 S497E489-V493 WeakPolarHBondContact O-CG2 3.45Å; E489-V493 PolarHBondContact O-N 3.45Å; Q491-V493 VanDerWaalsContact C-N 3.29Å; Q491-V493 PolarHBondContact O-N 3.2Å; V493-S497 PolarHBondContact O-OG 3.23Å
494K38.8Very low42.3Very low170 Ų170125 Ų12574%0.73968%0.681SS**Hα-helixtrans-83.3-25.8-173.8-153.3179.2-176.3-173.90113.7Q491 K492Q491-K494 PolarHBondContact O-N 2.8Å; K492-K494 VanDerWaalsContact C-N 3.26Å; K492-K494 PolarHBondContact O-N 2.76Å
495E39.6Very low40.9Very low155 Ų155124.3 Ų124.372%0.72469%0.689SS**Hα-helixtrans-84.6-25.9176.2-67.3174.2152.400111.9Q491 S497Q491-E495 PolarHBondContact O-N 3.07Å; E495-S497 VanDerWaalsContact C-N 3.25Å; E495-S497 PolarHBondContact O-N 2.71Å
496A36.9Very low39.5Very low75 Ų75126.8 Ų126.862%0.6270%0.7SS**THydrogen-bonded Turntrans-74.9-0.7-179.900000115.5K492K492-A496 PolarHBondContact O-N 3.04Å
497S38.1Very low38Very low98 Ų98124.7 Ų124.769%0.68571%0.709SS**THydrogen-bonded Turntrans-107.811-173.6-58.60000115.2V493 E495V493-S497 PolarHBondContact O-OG 3.23Å; E495-S497 VanDerWaalsContact C-N 3.25Å; E495-S497 PolarHBondContact O-N 2.71Å
498L38.3Very low37.4Very low163 Ų163127.3 Ų127.385%0.85372%0.721SS**SBendtrans-130.711.7-172.8-107162.5000114.8
499S28.7Very low36.2Very low99 Ų99130.9 Ų130.969%0.69274%0.738SS**  trans-127.352.5-171.765.30000113.9
500S28.4Very low35.1Very low110 Ų110132.9 Ų132.977%0.76975%0.751SS**  trans-155.19216862.80000113.4
501L29.5Very low34.1Very low179 Ų179129.7 Ų129.794%0.93775%0.749SS**  trans-164.8136.1144.5-106.8168.8000108.6
502T28.2Very low33.3Very low143 Ų143127.4 Ų127.488%0.87775%0.749SS**  trans-99.7160.4-163.5-1.80000114
503A27.8Very low33.4Very low89 Ų89125.5 Ų125.574%0.73675%0.753SS**  trans-77.1-171.9172.900000111.6
504P46.6Very low32.6Very low116 Ų116125.3 Ų125.375%0.75376%0.756SS**  cis-138.3-175.6-0.742.5-24.8000115.6
505T24.4Very low32.1Very low125 Ų125126.5 Ų126.577%0.76776%0.761SS**  178.9123124.3-73.10000113.6
506Q28.3Very low32.2Very low179 Ų179124.3 Ų124.384%0.83676%0.761SS**  trans25.2114.2153.5-57.6179.33.300123.5
507A23.8Very low31.6Very low93 Ų93126.2 Ų126.277%0.76977%0.769SS**  54.4169.7113.800000122.1
508P40.4Very low31.1Very low103 Ų103129.5 Ų129.567%0.66978%0.778SS**  cis-136170.8-1.542.3-25.5000117.9
509T28.2Very low31.2Very low128 Ų128127.1 Ų127.179%0.78577%0.773SS**  trans63168.2157.752.70000117.9
510I28.3Very low31Very low152 Ų152131.8 Ų131.878%0.77978%0.781SS**  cis-156.6166.7-12.2-116.1167.2000106.5
511N27Very low30.9Very low140 Ų140135.2 Ų135.275%0.74979%0.785SS**  cis-141.4-129.824.2-159.1-22.2000113.5
512S28.8Very low30.7Very low92 Ų92132.6 Ų132.664%0.64378%0.776SS**  trans-165.9-178.2-168.963.40000112.1
513P46.8Very low30.6Very low122 Ų122131.7 Ų131.779%0.79278%0.776SS**  cis-108.2-143.2-17.340.8-26.5000110.5
514S28.6Very low30.6Very low100 Ų100135.8 Ų135.870%0.69978%0.78SS**  cis-153.5169.8-4.746.10000107.8
515K28.3Very low29.6Very low195 Ų195135.7 Ų135.785%0.84878%0.777SS**  cis83.7139.123.4-85.5-165.5176.5-173.60117.5
516P40.6Very low29.7Very low110 Ų110136.6 Ų136.671%0.71478%0.783SS**  cis-146.4-179.6-13.343.5-24.5000119.1
517S23.7Very low29.5Very low115 Ų115131.5 Ų131.580%0.80478%0.778SS**  trans100.7149.7140.568.70000124
518L27.9Very low29.7Very low167 Ų167134 Ų13487%0.87479%0.785SS**  trans-124.9-173.2-177.3-74.5167.1000107.5
519P40.4Very low29.2Very low113 Ų113137.3 Ų137.373%0.73479%0.791SS**  cis-146.2-168.113.945.3-23.5000118.1
520F25.1Very low29.8Very low197 Ų197135.7 Ų135.786%0.86478%0.783SS**  trans-11.5143.9157.5-83.3-102.4000120.1
521Q26.1Very low29.7Very low182 Ų182136.4 Ų136.485%0.8578%0.78SS**  -173.9-173.590.3-131.9172.74.800114.2
522T25.7Very low29.8Very low123 Ų123136.4 Ų136.476%0.75577%0.774SS**  trans-106.9157.4-171.1460000114.3
523S26.3Very low29.7Very low125 Ų125138.9 Ų138.987%0.87477%0.773SS**  trans-177.9-175.3146.739.30000112.2
524Q26.7Very low28.9Very low174 Ų174140.7 Ų140.781%0.81377%0.771SS**  trans-121.6-172.5-159.9-58.7179.6-29.800114.3
525T26Very low28.8Very low114 Ų114144.9 Ų144.970%0.69978%0.777SS**  trans87133.5144.940.30000122.2
526T26.2Very low28.7Very low144 Ų144140.8 Ų140.888%0.88377%0.772SS**  trans65.3146.4153.948.50000118.8
527G25.5Very low27.9Very low72 Ų72143.8 Ų143.874%0.74278%0.781SS**  trans-142.5173.5-179.400000112.4
528T26.9Very low28.1Very low147 Ų147144.6 Ų144.690%0.90278%0.776SS**  trans-151.9134.2-177.3-50000110.5
529E29.4Very low27.9Very low171 Ų171144.8 Ų144.880%0.79978%0.777SS**  trans-89163.3152.3-116.9-156.9-123.900108.2
530P41.1Very low27.3Very low95 Ų95148.2 Ų148.262%0.61778%0.78SS**  -156.3-175.952.843.3-21.7000118.7
531F26.7Very low27.3Very low166 Ų166148 Ų14873%0.72878%0.782SS**  trans72.3151.2151.3-83.3-159.5000118.6
532F28.8Very low27.3Very low140 Ų140148.9 Ų148.961%0.61478%0.783SS**  cis-157.9155.32-141.2-24.5000112.6
533K27.7Very low27.3Very low145 Ų145151.9 Ų151.963%0.6379%0.789SS**  trans75.5120.5152.1-83.2150.2179.1164.70119.4
534Q29Very low27.3Very low159 Ų159153.3 Ų153.374%0.74379%0.786SS**  84.8124.764.4-162.5-170.615.900111
535K27.2Very low27.2Very low189 Ų189149.1 Ų149.182%0.82278%0.775SS**  -143.6152.951-73.4171.5175.3175.10115
536S25.4Very low27.2Very low108 Ų108151.3 Ų151.376%0.75578%0.783SS**  trans-90.2164.8153.354.90000111.2
537L24.6Very low27.1Very low173 Ų173149.2 Ų149.291%0.90677%0.774SS**  trans-129.3143.6164.8-106.6169.6000109.9
538L26.8Very low27.2Very low133 Ų133151 Ų15170%0.69678%0.775SS**  trans-146.6124.6-163.1-138.3177.9000109.5
539L24.6Very low27.1Very low170 Ų170150 Ų15089%0.8977%0.769SS**  trans-135.681.9167.6-12883.8000107.6
540K26.9Very low26.8Very low185 Ų185146.4 Ų146.480%0.80476%0.763SS**  57.7108.394.4-80-164.1170.6-175.10115
541Q26.3Very low26Very low193 Ų193151.6 Ų151.690%0.90278%0.776SS**  trans-60.2164.3153.5-64.6163.6-55.500110.9
542K25.1Very low26.7Very low201 Ų201149 Ų14987%0.87478%0.776SS**  trans-123.1124.1169.3-164.3179-174.9-176.60108.9
543Q26.8Very low28Very low185 Ų185147.2 Ų147.286%0.86478%0.778SS**  trans-106.3147.4172-94.1-163.3-1000111.1
544L25Very low28Very low155 Ų155149.4 Ų149.481%0.81279%0.79SS**  trans-153.7144.8154.7-78.6173.1000106.3
545S26.1Very low28.1Very low86 Ų86149 Ų14960%0.60179%0.793SS**  cis-176.5140.4-30.443.40000108.4
546N25.2Very low29.3Very low161 Ų161144.2 Ų144.286%0.86178%0.782SS**  trans68.1154.9163.6-68.1-1.3000117.2
547S24.5Very low29.4Very low99 Ų99150.5 Ų150.569%0.69279%0.789SS**  cis-1581411.333.10000113.2
548S26.8Very low29.6Very low109 Ų109146.5 Ų146.576%0.76278%0.776SS**  trans51.8147.5144.864.70000120.8
549V25.3Very low29.6Very low128 Ų128148 Ų14878%0.77678%0.784SS**  cis-150.6159.344167.20000111.9
550S23Very low29.6Very low95 Ų95145.5 Ų145.566%0.66478%0.78SS**  trans-19.8143.6-18056.30000121.4
551F24.5Very low29.6Very low204 Ų204145.3 Ų145.390%0.89579%0.786SS**  cis84.2148.938.5-76-48.4000117.1
552P41.1Very low29.5Very low112 Ų112140 Ų14073%0.72778%0.775SS**  trans-135.2-110.6-136.337.4-12.8000117.5
553P56.3Low29.7Very low101 Ų101138.1 Ų138.166%0.65677%0.774SS**  -112.8-178.2-92.741.1-25.7000115.6
554Q26.8Very low30.3Very low192 Ų192134.1 Ų134.190%0.89776%0.763SS**  trans-143.4135.7141.1-64.5-165.18.200109.5
555N32.2Very low30.3Very low150 Ų150133.8 Ų133.880%0.80276%0.763SS**  cis104160.443.1-112.117.1000112.9
556P52.9Low30.3Very low89 Ų89135.6 Ų135.658%0.57878%0.775SS**  -135.6-169.1-121.741.2-20.7000115.5
557W27.5Very low30.6Very low239 Ų239135.9 Ų135.991%0.90578%0.776SS**  trans153165147.4-77.8-19.6000111.9
558S27.6Very low31.1Very low90 Ų90136.7 Ų136.763%0.62978%0.779SS**  cis-171.5142-35.5-880000111.6
559N26.4Very low31Very low163 Ų163137.3 Ų137.387%0.87278%0.778SS**  trans66.8164.2153.7-67.2-5.4000122.3
560C24.5Very low31Very low119 Ų119140 Ų14080%0.80478%0.782SS**  trans-113.4169.2-167.7-420000112.8
561I26.8Very low31.1Very low180 Ų180145.9 Ų145.992%0.92379%0.791SS**  trans-175.3169.2133.1-95.7154.9000109.2
562A24.9Very low31.7Very low81 Ų81141.7 Ų141.767%0.66979%0.785SS**  trans-115.5168.5-162.900000115.7
563L29.1Very low30.9Very low163 Ų163139.3 Ų139.385%0.85378%0.78SS**  trans23.7146.4144-71164.5000120.1
564P38.9Very low29.4Very low100 Ų100145.7 Ų145.765%0.64979%0.793SS**  cis-154.7-179.639.844.5-23.8000119.6
565N26.3Very low29.4Very low149 Ų149142.1 Ų142.180%0.79778%0.784SS**  trans74.7148.9142.1-73.4-6.5000125.6
566S26.6Very low29.8Very low124 Ų124140.8 Ų140.887%0.86778%0.783SS**  trans95.5137.215272.40000121
567L31.2Very low28.4Very low166 Ų166143.3 Ų143.387%0.86980%0.797SS**  trans-110.4157.3171.4-72.4159.8000108
568P34.2Very low28.3Very low117 Ų117137.4 Ų137.476%0.7679%0.791SS**  -148.9154.399.634.8-16.5000117.5
569T24.8Very low28.4Very low121 Ų121142.5 Ų142.574%0.74281%0.805SS**  trans21.3126.1139.8-23.20000121.5
570E25Very low28.3Very low184 Ų184138.1 Ų138.186%0.8680%0.798SS**  177.4169.1104.4-92.4-172.8179.700114.4
571Y26Very low28.4Very low220 Ų220138.9 Ų138.986%0.86380%0.799SS**  trans-93.4-178.9-175.8-90.7-104.2000111.4
572P37.4Very low28.4Very low116 Ų116137.8 Ų137.875%0.75379%0.794SS**  cis-122-1765.141.2-23.9000112.8
573G24.2Very low28.3Very low61 Ų61142.4 Ų142.463%0.62980%0.799SS**  cis104.599.51300000111.1
574Y24.4Very low28Very low235 Ų235143 Ų14392%0.92280%0.802SS**  trans-124.4134.3177.8-119.6-89000110.9
575V27.2Very low27.3Very low118 Ų118145.5 Ų145.572%0.71581%0.805SS**  trans-121.5144.7-176.8171.30000107.3
576P40.8Very low27.2Very low121 Ų121144.1 Ų144.179%0.78681%0.807SS**  trans-69.9161.1-174.628.7-37.2000113.5
577V23.3Very low27.2Very low143 Ų143142.7 Ų142.787%0.86780%0.797SS**  trans-118.2147.1173.3178.20000109.2
578C25.5Very low26.9Very low115 Ų115144.2 Ų144.278%0.77780%0.797SS**  trans-122.9173.9-169.6-108.80000112.9
579E28.4Very low26.4Very low197 Ų197143.5 Ų143.592%0.92180%0.8SS**  trans69.7141.7157.2-74.3-179.4168.200121.6
580G25.9Very low26.6Very low71 Ų71144.1 Ų144.173%0.73280%0.804SS**  trans159.7112.4152.100000118.6
581V25.7Very low27.2Very low135 Ų135141.1 Ų141.182%0.81880%0.801SS**  trans83.194.8142.7-167.50000121.7
582L26Very low27.2Very low156 Ų156135 Ų13582%0.81780%0.796SS**  45.1116.9124.1-56.9173.4000124.2
583K24Very low26.6Very low178 Ų178138.1 Ų138.177%0.77480%0.8SS**  trans28.7132.6133.3-70.5-166172.8-157.30122.7
584L22.6Very low26.8Very low177 Ų177142.8 Ų142.893%0.92781%0.807SS**  -152.7166119.2-164.352.8000111.2
585E23.4Very low26.8Very low151 Ų151138.2 Ų138.271%0.70680%0.799SS**  trans-117.6149.7-165.2-61.2172.4176.500114.8
586S24.5Very low26.8Very low121 Ų121139 Ų13985%0.84680%0.799SS**  trans174.1153.1145.547.90000110.7
587S25.9Very low26.1Very low94 Ų94137.3 Ų137.366%0.65780%0.795SS**  cis-165.2160.5-23.660.10000110.5
588K25.6Very low26.4Very low198 Ų198137.7 Ų137.786%0.86179%0.787SS**  trans69.9138.5173.1-53.5175.4-176.5178.50115.6
589A24.3Very low26.4Very low101 Ų101138.4 Ų138.484%0.83578%0.783SS**  cis116.9121.48.800000113.6
590T27.6Very low26.2Very low135 Ų135132.6 Ų132.683%0.82876%0.764SS**  trans-70.7168.3170.4140000112.3
591P37.9Very low26.3Very low120 Ų120138.5 Ų138.578%0.77977%0.773SS**  cis-125.8178.84318.57.7000114
592A27.4Very low26.2Very low92 Ų92137.9 Ų137.976%0.7677%0.774SS**  cis98.5121.316.200000117.3
593E24.8Very low26.2Very low181 Ų181138.6 Ų138.685%0.84678%0.776SS**  trans-146.2116.2163.8-87.6-177.615600106.7
594M26.9Very low26.3Very low159 Ų159139 Ų13978%0.78378%0.78SS**  79.4118.495.1-74-175.5174.500114.5
595D24.9Very low26.4Very low139 Ų139134.2 Ų134.274%0.74377%0.766SS**  82.1146.358.8-72.3-29.5000112.7
596L26.5Very low26.4Very low135 Ų135132.8 Ų132.871%0.70777%0.772SS**  cis-165.8143.7-5.6-120.6166000110.5
597A26.6Very low26.4Very low86 Ų86132.1 Ų132.171%0.71177%0.768SS**  trans178.5138.2153.300000109.9
598H29.1Very low26.3Very low151 Ų151131.8 Ų131.870%0.69977%0.771SS**  cis71.9135.240.3-66.4-60.2000114.8
599N25.3Very low26.3Very low129 Ų129127.1 Ų127.169%0.6976%0.763SS**  cis-155.7147-2-1318.5000115.6
600S26.2Very low26.3Very low75 Ų75131.7 Ų131.752%0.52476%0.764SS.*  trans20.1129.4141.464.50000124.2
601Q27.6Very low26.2Very low195 Ų195130.3 Ų130.391%0.91176%0.76SS**  58.5135.6125.9-60.7178.6-2.500122.7
602S23.2Very low25.6Very low122 Ų122128.7 Ų128.785%0.85376%0.756SS**  trans-144.1141.1134.164.10000111
603M25.8Very low25.5Very low172 Ų172131.5 Ų131.585%0.84776%0.758SS**  trans-114173.4175.5-100-75.3-175.800110.6
604H25Very low25.5Very low186 Ų186130.6 Ų130.686%0.86175%0.753SS**  trans107.3147.6169.8-60.6-66.4000116.1
605A24.8Very low25.6Very low76 Ų76128.7 Ų128.763%0.62875%0.751SS**  cis176.5160.1-34.300000108.1
606S25.1Very low25.6Very low121 Ų121127.5 Ų127.585%0.84675%0.748SS**  trans70155.9171.389.60000115.3
607S23.9Very low25.7Very low108 Ų108129.3 Ų129.376%0.75575%0.753SS**  cis-151.3135.6-1.558.40000114
608A24.5Very low25.6Very low87 Ų87134.8 Ų134.872%0.71976%0.761SS**  trans34.1113.6140.900000123.3
609S24.6Very low25.5Very low99 Ų99132.5 Ų132.569%0.69277%0.768SS**  82.3148.3123.380.50000122.2
610K25.2Very low25.6Very low198 Ų198132.7 Ų132.786%0.86177%0.774SS**  trans69.6147.4168.4-62.8172.7-176.5175.10115.3
611S24.1Very low25.8Very low106 Ų106134.7 Ų134.774%0.74179%0.786SS**  cis-169.5158.8-11.6450000111.5
612A25.4Very low25.8Very low85 Ų85131.9 Ų131.970%0.70278%0.782SS**  trans72.8139.4155.900000120.2
613L25.3Very low26.5Very low151 Ų151131.6 Ų131.679%0.79178%0.777SS**  27.1137.7127.1-56.8160.9000117.8
614E26Very low26.9Very low162 Ų162128.8 Ų128.876%0.75778%0.775SS**  cis-165.614726.9-136.1166.9-164.800114.2
615V28.3Very low27.7Very low120 Ų120128 Ų12873%0.72778%0.775SS**  trans65.5150142162.20000123.7
616T24.8Very low28.4Very low113 Ų113131.6 Ų131.669%0.69378%0.783SS**  trans80.998.4164.429.60000123.4
617Q27.9Very low29.3Very low173 Ų173129 Ų12981%0.80877%0.769SS**  62.5107.4124.2-64.5-1742800123.5
618K26.3Very low30.8Very low201 Ų201128 Ų12887%0.87477%0.767SS**  62.9101.6114.7-167-168.2-176.8-174.30120.4
619A26.1Very low32.4Very low103 Ų103132.5 Ų132.585%0.85177%0.773SS**  trans-154.7157145.900000111.7
620T26.6Very low34.8Very low133 Ų133131.9 Ų131.982%0.81676%0.762SS**  trans-111.3143.5-176.2-43.30000111
621P31.9Very low37.7Very low118 Ų118126.2 Ų126.277%0.76674%0.739SS**PPolyproline II helixtrans-78.6159.1171.832.3-35.2000113.6
622T27.3Very low40.8Very low136 Ų136124.4 Ų124.483%0.83472%0.723SS**PPolyproline II helixtrans-82142.8-166.3-38.70000114.6
623P37.6Very low44Very low116 Ų116124.2 Ų124.275%0.75371%0.714SS**PPolyproline II helixtrans-83.1172.8171.335.1-36.6000113.9
624S34.6Very low47.1Very low113 Ų113117.2 Ų117.279%0.7968%0.678SS**PPolyproline II helixtrans-75.8160.5-177.747.40000114.8L626S624-L626 PolarHBondContact O-N 3.34Å
625I42Very low50.1Low169 Ų169119 Ų11987%0.86769%0.687SS**PPolyproline II helixtrans-69122.6-177.7-60167.6000111.1
626L39.8Very low52.8Low151 Ų151118.2 Ų118.279%0.79167%0.673SS**  trans-114.1153155.9-76168.7000108.3S624S624-L626 PolarHBondContact O-N 3.34Å
627A42.9Very low55.9Low67 Ų67115.5 Ų115.555%0.55466%0.659SS**  trans-63.5142.6-176.700000111.9E629A627-E629 VanDerWaalsContact C-N 3.28Å; A627-E629 PolarHBondContact O-N 3.12Å
628A55.7Low58.7Low87 Ų87110 Ų11072%0.71965%0.649SS**THydrogen-bonded Turntrans-83.62.3-174.100000114.3
629E57.2Low61.7Low181 Ų181103.1 Ų103.185%0.84663%0.626SS**THydrogen-bonded Turntrans-92.2-18.5-166.5-57.2-171.5158.300113.8A627A627-E629 VanDerWaalsContact C-N 3.28Å; A627-E629 PolarHBondContact O-N 3.12Å
630D75.6Confident64.6Low86 Ų86103.6 Ų103.646%0.4661%0.613SS.*SBendtrans-103.217.8-176.8-71-54.6000114.6P642 V643 W644D630-P642 WeakPolarHBondContact O-CA 3.28Å; D630-V643 PolarHBondContact O-N 3.11Å; D630-W644 HydrophobicContact CB-CH2 3.94Å; D630-W644 HydrophobicContact CB-CZ3 3.72Å
631Q86.7Confident67.6Low79 Ų7997.7 Ų97.737%0.36958%0.577SS.*EExtended strand (participates in β ladder)trans-112.4132.1-179.5-65.2-17746.800112.5L640 P642Q631-L640 HydrophobicContact CB-CB 4.37Å; Q631-P642 HydrophobicContact CG-CG 4.32Å
632V89.1Confident70.5Confident69 Ų6993.5 Ų93.542%0.41855%0.55SS..EExtended strand (participates in β ladder)trans-122.2137.7-176.2-1800000109.7V641 V643 M646V632-V641 PolarHBondContact N-O 3.14Å; V632-V641 PolarHBondContact O-N 3.44Å; V632-V643 HydrophobicContact CG2-CG2 3.65Å; V632-M646 HydrophobicContact CB-CE 4.09Å; V632-M646 HydrophobicContact CG1-CE 4.24Å; V632-M646 WeakPolarHBondContact O-CE 3.43Å
633P91.4Very high73.3Confident80 Ų8091 Ų9152%0.51953%0.534SS..EExtended strand (participates in β ladder)trans-70130.6176.527.9-34.4000111.8S639 L640P633-S639 CarbonylContact C-O 3.59Å; P633-S639 WeakPolarHBondContact CA-O 3.42Å; P633-L640 HydrophobicContact CB-CD2 4.18Å
634C90.7Very high75.4Confident4 Ų493.2 Ų93.23%0.02753%0.528CS..  trans-74.2123.3173.6172.80000111.5K636 C637 G638 S639 V641 M646 H649C634-K636 PolarHBondContact O-N 3.14Å; C634-K636 VanDerWaalsContact O-N 3.14Å; C634-K636 PolarHBondContact SG-N 3.33Å; C634-C637 PolarHBondContact O-N 3.39Å; C634-G638 WeakPolarHBondContact O-CA 3.45Å; C634-G638 PolarHBondContact O-N 2.7Å; C634-S639 PolarHBondContact N-O 2.88Å; C634-V641 HydrophobicContact CB-CG2 4.31Å; C634-M646 HydrophobicContact CB-CE 4.26Å; C634-M646 HydrophobicContact CB-SD 4.11Å; C634-H649 WeakPolarHBondContact CB-NE2 3.26Å; C634-H649 PolarHBondContact SG-CD2 3.14Å; C634-H649 PolarHBondContact SG-NE2 3.08Å
635E88.8Confident78Confident200 Ų20091 Ų9194%0.93551%0.507SS*.THydrogen-bonded Turntrans-58.6-27.5-179.8-60.8-176.2165.100114.1
636K86Confident80.3Confident103 Ų10384.8 Ų84.845%0.44847%0.474SS..THydrogen-bonded Turntrans-82.3-18.8-178.4-77.2-164.9172.5-171.70114.8C634 M650 H653 E657C634-K636 PolarHBondContact O-N 3.14Å; C634-K636 VanDerWaalsContact O-N 3.14Å; C634-K636 PolarHBondContact SG-N 3.33Å; K636-M650 HydrophobicContact CD-CE 4.2Å; K636-M650 HydrophobicContact CG-CE 4.37Å; K636-H653 HydrophobicContact CB-CB 4.49Å; K636-H653 HydrophobicContact CD-CB 3.58Å; K636-E657 IonicContact NZ-OE2 2.7Å; K636-E657 PolarHBondContact NZ-OE2 3.46Å
637C89.7Confident82.7Confident57 Ų5781.5 Ų81.539%0.38546%0.462SS..THydrogen-bonded Turntrans-149.11-17767.90000116.6C634 S639 H649 H653C634-C637 PolarHBondContact O-N 3.39Å; C637-S639 PolarHBondContact O-N 2.94Å; C637-S639 VanDerWaalsContact O-N 3.15Å; C637-S639 PolarHBondContact SG-OG 3.37Å; C637-H649 PolarHBondContact SG-NE2 2.67Å; C637-H653 VanDerWaalsContact SG-CE1 3.54Å; C637-H653 PolarHBondContact SG-NE2 2.87Å
638G87.7Confident84.8Confident58 Ų5885.6 Ų85.660%0.59847%0.47SS*.  trans70.90.5178.300000115.6C634C634-G638 WeakPolarHBondContact O-CA 3.45Å; C634-G638 PolarHBondContact O-N 2.7Å
639S87.3Confident86.5Confident56 Ų5683.4 Ų83.439%0.39245%0.445SS..  trans-68.9135.6176.5-52.80000110.7P633 C634 C637P633-S639 CarbonylContact C-O 3.59Å; P633-S639 WeakPolarHBondContact CA-O 3.42Å; C634-S639 PolarHBondContact N-O 2.88Å; C637-S639 PolarHBondContact O-N 2.94Å; C637-S639 VanDerWaalsContact O-N 3.15Å; C637-S639 PolarHBondContact SG-OG 3.37Å
640L87.8Confident88.2Confident112 Ų11278.7 Ų78.759%0.58642%0.424SS*.EExtended strand (participates in β ladder)trans-69.6128.9165.3-68.2174.1000108.9Q631 P633Q631-L640 HydrophobicContact CB-CB 4.37Å; P633-L640 HydrophobicContact CB-CD2 4.18Å
641V89.1Confident88.8Confident10 Ų1080 Ų806%0.06143%0.431CS..EExtended strand (participates in β ladder)trans-134.4135.5-178.2-176.60000108V632 C634 D645 M646 H649V632-V641 PolarHBondContact N-O 3.14Å; V632-V641 PolarHBondContact O-N 3.44Å; C634-V641 HydrophobicContact CB-CG2 4.31Å; V641-D645 HydrophobicContact CG1-CB 3.86Å; V641-M646 HydrophobicContact CB-CE 3.88Å; V641-M646 HydrophobicContact CB-SD 4.41Å; V641-M646 HydrophobicContact CG2-CE 4.48Å; V641-H649 HydrophobicContact CG1-CB 4Å; V641-H649 HydrophobicContact CG2-CB 4.45Å
642P92.8Very high89Confident30 Ų3082.8 Ų82.820%0.19544%0.439CS..EExtended strand (participates in β ladder)trans-57.7144173.8-24.134.6000112.2D630 Q631 W644 D645 M646D630-P642 WeakPolarHBondContact O-CA 3.28Å; Q631-P642 HydrophobicContact CG-CG 4.32Å; P642-W644 HydrophobicContact CB-CD2 3.96Å; P642-W644 HydrophobicContact CB-CG 4.46Å; P642-W644 HydrophobicContact CB-CH2 4.11Å; P642-W644 HydrophobicContact CB-CZ2 3.49Å; P642-W644 VanDerWaalsContact CB-CZ2 3.49Å; P642-W644 HydrophobicContact CG-CZ2 4.22Å; P642-W644 PolarHBondContact O-N 3.02Å; P642-W644 VanDerWaalsContact O-N 3.08Å; P642-D645 HydrophobicContact CB-CB 4.42Å; P642-D645 WeakPolarHBondContact CB-OD2 3.4Å; P642-D645 WeakPolarHBondContact CG-OD2 3.48Å; P642-D645 PolarHBondContact O-N 3Å; P642-M646 PolarHBondContact O-N 3.17Å; P642-M646 VanDerWaalsContact O-N 3.14Å
643V87.3Confident89.2Confident83 Ų8380.5 Ų80.550%0.50342%0.424SS..THydrogen-bonded Turntrans-52.8-37.2-174.6170.90000112.9D630 V632D630-V643 PolarHBondContact O-N 3.11Å; V632-V643 HydrophobicContact CG2-CG2 3.65Å
644W81.3Confident89Confident163 Ų16382.6 Ų82.662%0.61743%0.425SS*.THydrogen-bonded Turntrans-77.1-24.7-18053.778.8000114.2D630 P642 P647D630-W644 HydrophobicContact CB-CH2 3.94Å; D630-W644 HydrophobicContact CB-CZ3 3.72Å; P642-W644 HydrophobicContact CB-CD2 3.96Å; P642-W644 HydrophobicContact CB-CG 4.46Å; P642-W644 HydrophobicContact CB-CH2 4.11Å; P642-W644 HydrophobicContact CB-CZ2 3.49Å; P642-W644 VanDerWaalsContact CB-CZ2 3.49Å; P642-W644 HydrophobicContact CG-CZ2 4.22Å; P642-W644 PolarHBondContact O-N 3.02Å; P642-W644 VanDerWaalsContact O-N 3.08Å; W644-P647 WeakPolarHBondContact O-CD 3.18Å
645D88.3Confident88.5Confident67 Ų6785 Ų8536%0.35845%0.445SS..THydrogen-bonded Turntrans-88.9-15.7178.8-63.5-42.5000112.4V641 P642 P647 E648 H649V641-D645 HydrophobicContact CG1-CB 3.86Å; P642-D645 HydrophobicContact CB-CB 4.42Å; P642-D645 WeakPolarHBondContact CB-OD2 3.4Å; P642-D645 WeakPolarHBondContact CG-OD2 3.48Å; P642-D645 PolarHBondContact O-N 3Å; D645-P647 VanDerWaalsContact C-N 3.34Å; D645-E648 PolarHBondContact O-N 3.21Å; D645-H649 WeakPolarHBondContact O-CB 3.4Å; D645-H649 PolarHBondContact O-N 3.46Å
646M91.6Very high88.4Confident37 Ų3777.7 Ų77.718%0.18241%0.412CS..Hα-helixtrans-52.5-38179.7-170.762.97600114.6V632 C634 V641 P642 H649 M650V632-M646 HydrophobicContact CB-CE 4.09Å; V632-M646 HydrophobicContact CG1-CE 4.24Å; V632-M646 WeakPolarHBondContact O-CE 3.43Å; C634-M646 HydrophobicContact CB-CE 4.26Å; C634-M646 HydrophobicContact CB-SD 4.11Å; V641-M646 HydrophobicContact CB-CE 3.88Å; V641-M646 HydrophobicContact CB-SD 4.41Å; V641-M646 HydrophobicContact CG2-CE 4.48Å; P642-M646 PolarHBondContact O-N 3.17Å; P642-M646 VanDerWaalsContact O-N 3.14Å; M646-H649 PolarHBondContact O-N 2.95Å; M646-M650 HydrophobicContact CG-CG 4.44Å; M646-M650 WeakPolarHBondContact O-CG 3.49Å; M646-M650 PolarHBondContact O-N 3.47Å
647P89.6Confident88.5Confident83 Ų8378 Ų7854%0.53942%0.415SS..Hα-helixtrans-63.4-46.1175.9-22.134.9000113.2W644 D645 H649 M650 D651W644-P647 WeakPolarHBondContact O-CD 3.18Å; D645-P647 VanDerWaalsContact C-N 3.34Å; P647-H649 VanDerWaalsContact C-N 3.29Å; P647-H649 PolarHBondContact O-N 3.38Å; P647-M650 WeakPolarHBondContact O-CB 3.33Å; P647-M650 PolarHBondContact O-N 2.86Å; P647-D651 PolarHBondContact O-N 3.27Å
648E86.5Confident88Confident152 Ų15279 Ų7971%0.7142%0.416SS*.Hα-helixtrans-68.3-33.7178.8-58.1-164.1169.800111.1D645 D651 Y652D645-E648 PolarHBondContact O-N 3.21Å; E648-D651 PolarHBondContact O-N 3.34Å; E648-Y652 PolarHBondContact O-N 3.47Å
649H92.1Very high87.9Confident42 Ų4281.7 Ų81.719%0.19441%0.413CS..Hα-helixtrans-66.8-36.5172.4-172.291.4000112.9C634 C637 V641 D645 M646 P647 Y652 H653C634-H649 WeakPolarHBondContact CB-NE2 3.26Å; C634-H649 PolarHBondContact SG-CD2 3.14Å; C634-H649 PolarHBondContact SG-NE2 3.08Å; C637-H649 PolarHBondContact SG-NE2 2.67Å; V641-H649 HydrophobicContact CG1-CB 4Å; V641-H649 HydrophobicContact CG2-CB 4.45Å; D645-H649 WeakPolarHBondContact O-CB 3.4Å; D645-H649 PolarHBondContact O-N 3.46Å; M646-H649 PolarHBondContact O-N 2.95Å; P647-H649 VanDerWaalsContact C-N 3.29Å; P647-H649 PolarHBondContact O-N 3.38Å; H649-Y652 PolarHBondContact O-N 3.33Å; H649-H653 AromaticContact CD2-CD2 3.64Å; H649-H653 AromaticContact CD2-NE2 3.5Å; H649-H653 AromaticContact CE1-NE2 3.69Å; H649-H653 AromaticContact NE2-CD2 3.6Å; H649-H653 AromaticContact NE2-NE2 2.94Å; H649-H653 PolarHBondContact NE2-NE2 3.1Å; H649-H653 PolarHBondContact O-CD2 3.13Å; H649-H653 PolarHBondContact O-N 3.39Å
650M92.1Very high87.6Confident82 Ų8285 Ų8540%0.40442%0.421SS..Hα-helixtrans-66.1-41.7172.2-70.9-116.37000111.8K636 M646 P647 Y652 H653 F654K636-M650 HydrophobicContact CD-CE 4.2Å; K636-M650 HydrophobicContact CG-CE 4.37Å; M646-M650 HydrophobicContact CG-CG 4.44Å; M646-M650 WeakPolarHBondContact O-CG 3.49Å; M646-M650 PolarHBondContact O-N 3.47Å; P647-M650 WeakPolarHBondContact O-CB 3.33Å; P647-M650 PolarHBondContact O-N 2.86Å; M650-Y652 VanDerWaalsContact C-N 3.35Å; M650-H653 PolarHBondContact O-N 3.33Å; M650-F654 PolarHBondContact O-N 3.4Å
651D88.7Confident87.2Confident114 Ų11483.1 Ų83.161%0.6142%0.417SS*.Hα-helixtrans-64-37175.4-84.8-9.7000112P647 E648 H653 F654 A655P647-D651 PolarHBondContact O-N 3.27Å; E648-D651 PolarHBondContact O-N 3.34Å; D651-H653 PolarHBondContact O-N 2.94Å; D651-F654 PolarHBondContact O-N 2.85Å; D651-A655 WeakPolarHBondContact O-CB 3.46Å; D651-A655 PolarHBondContact O-N 3.15Å
652Y91.1Very high86.4Confident137 Ų13790.5 Ų90.554%0.53745%0.448SS..Hα-helixtrans-57.3-47171169.4-95.3000112E648 H649 M650 F654 A655 L656E648-Y652 PolarHBondContact O-N 3.47Å; H649-Y652 PolarHBondContact O-N 3.33Å; M650-Y652 VanDerWaalsContact C-N 3.35Å; Y652-F654 PolarHBondContact O-N 3.23Å; Y652-A655 PolarHBondContact O-N 3.01Å; Y652-L656 HydrophobicContact CE1-CD2 4.39Å; Y652-L656 WeakPolarHBondContact O-CB 3.5Å; Y652-L656 PolarHBondContact O-N 3.35Å
653H92.9Very high85.3Confident21 Ų2195.2 Ų95.210%0.09747%0.471CS..Hα-helixtrans-64.2-39.8176.9-74.7-62.5000112.3K636 C637 H649 M650 D651 L656 E657K636-H653 HydrophobicContact CB-CB 4.49Å; K636-H653 HydrophobicContact CD-CB 3.58Å; C637-H653 VanDerWaalsContact SG-CE1 3.54Å; C637-H653 PolarHBondContact SG-NE2 2.87Å; H649-H653 AromaticContact CD2-CD2 3.64Å; H649-H653 AromaticContact CD2-NE2 3.5Å; H649-H653 AromaticContact CE1-NE2 3.69Å; H649-H653 AromaticContact NE2-CD2 3.6Å; H649-H653 AromaticContact NE2-NE2 2.94Å; H649-H653 PolarHBondContact NE2-NE2 3.1Å; H649-H653 PolarHBondContact O-CD2 3.13Å; H649-H653 PolarHBondContact O-N 3.39Å; M650-H653 PolarHBondContact O-N 3.33Å; D651-H653 PolarHBondContact O-N 2.94Å; H653-L656 PolarHBondContact O-N 3.31Å; H653-E657 VanDerWaalsContact O-CB 3.25Å; H653-E657 WeakPolarHBondContact O-CB 3.42Å; H653-E657 PolarHBondContact O-N 3.25Å
654F86.7Confident83.8Confident124 Ų12498.5 Ų98.554%0.54448%0.481SS..Hα-helixtrans-62.9-42.7175.2-178.6-104.9000111.8M650 D651 Y652 E657 L658M650-F654 PolarHBondContact O-N 3.4Å; D651-F654 PolarHBondContact O-N 2.85Å; Y652-F654 PolarHBondContact O-N 3.23Å; F654-E657 PolarHBondContact O-N 3.27Å; F654-L658 HydrophobicContact CE1-CD1 4.29Å; F654-L658 HydrophobicContact CZ-CD1 4Å; F654-L658 WeakPolarHBondContact O-CB 3.25Å; F654-L658 PolarHBondContact O-N 3.49Å
655A82Confident82.1Confident55 Ų5596.3 Ų96.346%0.45549%0.488SS..Hα-helixtrans-63.4-41.4175.500000112.4D651 Y652 L658 Q659D651-A655 WeakPolarHBondContact O-CB 3.46Å; D651-A655 PolarHBondContact O-N 3.15Å; Y652-A655 PolarHBondContact O-N 3.01Å; A655-L658 WeakPolarHBondContact O-CB 3.39Å; A655-L658 PolarHBondContact O-N 3.31Å; A655-Q659 WeakPolarHBondContact O-CB 3.42Å; A655-Q659 PolarHBondContact O-N 2.89Å
656L85.1Confident79.9Confident46 Ų46102.4 Ų102.424%0.24151%0.514CS..Hα-helixtrans-66.1-37.5176.6-168.674.5000112.1Y652 H653 K660Y652-L656 HydrophobicContact CE1-CD2 4.39Å; Y652-L656 WeakPolarHBondContact O-CB 3.5Å; Y652-L656 PolarHBondContact O-N 3.35Å; H653-L656 PolarHBondContact O-N 3.31Å; L656-K660 WeakPolarHBondContact O-CD 3.19Å; L656-K660 VanDerWaalsContact O-CG 3.27Å; L656-K660 WeakPolarHBondContact O-CG 3.45Å; L656-K660 PolarHBondContact O-N 2.87Å
657E88.6Confident77.5Confident108 Ų108106.2 Ų106.251%0.50554%0.544SS..Hα-helixtrans-67.9-42.5175.1-168.7168.6176.200111.1K636 H653 F654 K660 S661K636-E657 IonicContact NZ-OE2 2.7Å; K636-E657 PolarHBondContact NZ-OE2 3.46Å; H653-E657 VanDerWaalsContact O-CB 3.25Å; H653-E657 WeakPolarHBondContact O-CB 3.42Å; H653-E657 PolarHBondContact O-N 3.25Å; F654-E657 PolarHBondContact O-N 3.27Å; E657-K660 PolarHBondContact O-N 3.48Å; E657-S661 PolarHBondContact O-N 2.92Å
658L80.4Confident75.3Confident79 Ų79107.8 Ų107.841%0.41456%0.557SS.*Hα-helixtrans-60-47.4171.9-14380.2000111.4F654 A655 K660 S661 F662F654-L658 HydrophobicContact CE1-CD1 4.29Å; F654-L658 HydrophobicContact CZ-CD1 4Å; F654-L658 WeakPolarHBondContact O-CB 3.25Å; F654-L658 PolarHBondContact O-N 3.49Å; A655-L658 WeakPolarHBondContact O-CB 3.39Å; A655-L658 PolarHBondContact O-N 3.31Å; L658-K660 VanDerWaalsContact C-N 3.35Å; L658-K660 PolarHBondContact O-N 3.38Å; L658-S661 WeakPolarHBondContact O-CB 3.27Å; L658-S661 PolarHBondContact O-N 2.93Å; L658-S661 VanDerWaalsContact O-N 3.1Å; L658-S661 PolarHBondContact O-OG 2.66Å; L658-F662 HydrophobicContact CD2-CE2 4.11Å; L658-F662 HydrophobicContact CG-CE2 4.01Å; L658-F662 WeakPolarHBondContact O-CD2 3.43Å; L658-F662 PolarHBondContact O-N 3.39Å
659Q84.7Confident72.7Confident114 Ų114107.7 Ų107.753%0.53356%0.561SS.*Hα-helixtrans-60.3-43.1178.4-170.3-176.726.900111.6A655 S661 F662 L663A655-Q659 WeakPolarHBondContact O-CB 3.42Å; A655-Q659 PolarHBondContact O-N 2.89Å; Q659-S661 VanDerWaalsContact C-N 3.31Å; Q659-S661 PolarHBondContact O-N 2.65Å; Q659-F662 PolarHBondContact O-N 3.18Å; Q659-L663 HydrophobicContact CG-CD1 4.09Å; Q659-L663 WeakPolarHBondContact O-CG 3.49Å; Q659-L663 PolarHBondContact O-N 3.1Å
660K80.1Confident70.5Confident127 Ų127111.4 Ų111.455%0.55259%0.589SS**Hα-helixtrans-61.5-37.2174.1-74.2165.7-178171.60112.2L656 E657 L658 F662 L663 Q664L656-K660 WeakPolarHBondContact O-CD 3.19Å; L656-K660 VanDerWaalsContact O-CG 3.27Å; L656-K660 WeakPolarHBondContact O-CG 3.45Å; L656-K660 PolarHBondContact O-N 2.87Å; E657-K660 PolarHBondContact O-N 3.48Å; L658-K660 VanDerWaalsContact C-N 3.35Å; L658-K660 PolarHBondContact O-N 3.38Å; K660-F662 VanDerWaalsContact C-N 3.33Å; K660-F662 PolarHBondContact O-N 2.79Å; K660-L663 PolarHBondContact O-N 3.23Å; K660-Q664 PolarHBondContact O-N 3.14Å
661S80.5Confident67.7Low71 Ų71116.8 Ų116.850%0.49761%0.613SS.*Hα-helixtrans-65.3-33.5176.781.20000113.2E657 L658 Q659 L663E657-S661 PolarHBondContact O-N 2.92Å; L658-S661 WeakPolarHBondContact O-CB 3.27Å; L658-S661 PolarHBondContact O-N 2.93Å; L658-S661 VanDerWaalsContact O-N 3.1Å; L658-S661 PolarHBondContact O-OG 2.66Å; Q659-S661 VanDerWaalsContact C-N 3.31Å; Q659-S661 PolarHBondContact O-N 2.65Å; S661-L663 VanDerWaalsContact C-N 3.34Å
662F72.6Confident65.2Low165 Ų165117.8 Ų117.872%0.72462%0.623SS**Hα-helixtrans-77.3-17.1174.4-72.7-66000114.1L658 Q659 K660L658-F662 HydrophobicContact CD2-CE2 4.11Å; L658-F662 HydrophobicContact CG-CE2 4.01Å; L658-F662 WeakPolarHBondContact O-CD2 3.43Å; L658-F662 PolarHBondContact O-N 3.39Å; Q659-F662 PolarHBondContact O-N 3.18Å; K660-F662 VanDerWaalsContact C-N 3.33Å; K660-F662 PolarHBondContact O-N 2.79Å
663L68.6Low62.3Low129 Ų129117.7 Ų117.768%0.67564%0.637SS**THydrogen-bonded Turntrans-98.7-1.8-177.2-69.7172.5000114Q659 K660 S661 P665Q659-L663 HydrophobicContact CG-CD1 4.09Å; Q659-L663 WeakPolarHBondContact O-CG 3.49Å; Q659-L663 PolarHBondContact O-N 3.1Å; K660-L663 PolarHBondContact O-N 3.23Å; S661-L663 VanDerWaalsContact C-N 3.34Å; L663-P665 WeakPolarHBondContact O-CD 3.36Å
664Q55.4Low59.2Low152 Ų152122.2 Ų122.271%0.7167%0.67SS**SBendtrans-78.3122.6172.2-76.6-166.2-16.200111.6K660K660-Q664 PolarHBondContact O-N 3.14Å
665P46.4Very low56.5Low118 Ų118120.9 Ų120.977%0.76668%0.683SS**  trans-65.3137.3168.5-17.231.6000110.5L663 S667L663-P665 WeakPolarHBondContact O-CD 3.36Å; P665-S667 PolarHBondContact O-N 3.44Å
666H42.6Very low54Low195 Ų195125.4 Ų125.490%0.90370%0.704SS**  trans-67.892.4174.8-68.6-40.9000111.7S668H666-S668 PolarHBondContact O-N 3.03Å; H666-S668 VanDerWaalsContact O-N 3.13Å
667S40.7Very low51.3Low117 Ų117127 Ų12782%0.81872%0.719SS**  trans-72.1100.8170.557.40000110.4P665 N669P665-S667 PolarHBondContact O-N 3.44Å; S667-N669 PolarHBondContact O-N 3.37Å; S667-N669 VanDerWaalsContact O-N 3.14Å
668S43.8Very low48.5Very low115 Ų115131.3 Ų131.380%0.80474%0.739SS**  trans-76.996.3179.858.50000112.1H666H666-S668 PolarHBondContact O-N 3.03Å; H666-S668 VanDerWaalsContact O-N 3.13Å
669N32.6Very low46.2Very low151 Ų151134.2 Ų134.281%0.80775%0.75SS**  trans-155.5127.1158.7-123.7-12.5000111.7S667S667-N669 PolarHBondContact O-N 3.37Å; S667-N669 VanDerWaalsContact O-N 3.14Å
670P44.4Very low43.5Very low119 Ų119132 Ų13277%0.77376%0.759SS**  trans-87.5124.6176.333-30.7000111.2
671Q33.1Very low41.2Very low195 Ų195133.4 Ų133.491%0.91177%0.765SS**  trans-123.5150.5160.5-80.5-161.7-26.400111.1
672V37.1Very low38.8Very low136 Ų136140.2 Ų140.282%0.82478%0.779SS**  trans-109.6129.1-166.2174.90000109.9
673V30.7Very low36.9Very low135 Ų135139.2 Ų139.282%0.81878%0.782SS**  trans-134118158.2-177.70000109.8
674S27.5Very low35.8Very low115 Ų115137.6 Ų137.680%0.80478%0.779SS**  trans28.2135.7153.1-54.60000122.1
675A28.8Very low34.6Very low97 Ų97139.6 Ų139.680%0.80279%0.785SS**  trans-103.8163.4177.200000113.5
676V29.5Very low34Very low149 Ų149138.8 Ų138.890%0.90378%0.782SS**  trans-119.4132.2150.11800000107.4
677S28.3Very low34.1Very low80 Ų80134.4 Ų134.456%0.55977%0.771SS**  trans-105.6151.2-175.370.90000112.7
678H30.5Very low33.7Very low198 Ų198136.7 Ų136.792%0.91777%0.773SS**  trans-130.4161.5134.9-93.1-80.2000110.4
679Q31.9Very low33Very low140 Ų140135.6 Ų135.665%0.65477%0.771SS**  trans-113.6150.7-146.4-57.2-177.79.200115.6
680G28.6Very low32.8Very low69 Ų69133.9 Ų133.971%0.71177%0.77SS**  trans164.570167.100000112.2
681K31.4Very low32.1Very low155 Ų155133.7 Ų133.767%0.67477%0.767SS**  47.4122.389.8-63.7172179.7158.50112.7
682R29.8Very low32Very low214 Ų214132 Ų13281%0.80876%0.764SS**  cis-165.4135.44.5-109.6171.4178.3173.5-2.9110.8
683N32.4Very low31.7Very low145 Ų145135 Ų13578%0.77577%0.766SS**  44.1162.8125.9-73.515.2000123.6
684P46Very low31.8Very low95 Ų95139.8 Ų139.862%0.61777%0.769SS**  cis-147.4-171.7-35.841.9-23.6000115.8
685K29.7Very low32.3Very low193 Ų193139.9 Ų139.984%0.83977%0.767SS**  trans77.4151.6158.6-68.2172.8-178.7-176.40118.6
686S33.8Very low32.5Very low101 Ų101146.6 Ų146.671%0.70677%0.772SS**  cis171.7175.3-27.155.40000109.5
687P46Very low32.8Very low103 Ų103145.4 Ų145.467%0.66977%0.767SS**  -133.7-161.6-52.738.1-18.2000113.2
688L32Very low33.4Very low165 Ų165151.3 Ų151.386%0.86479%0.786SS**  trans78148.4165-62.8158.2000117.4
689A29.8Very low33.5Very low92 Ų92145 Ų14576%0.7677%0.774SS**  cis-147174.46.100000115.3
690C27Very low33.8Very low115 Ų115147.5 Ų147.578%0.77779%0.788SS**  trans-65.3174.6170.8-71.30000114.8
691T31.1Very low34.3Very low115 Ų115152.4 Ų152.471%0.70679%0.792SS**  cis-170.7153.5-5.919.20000109.9
692N30.5Very low35.3Very low161 Ų161149.4 Ų149.486%0.86179%0.787SS**  175.6163.7121.9-92.2-25.6000113.9
693K30.3Very low35.8Very low199 Ų199146 Ų14687%0.86579%0.785SS**  trans-130.5157.9-176.6-63.4-179.2178.9177.20113.4
694R32.9Very low36.2Very low235 Ų235146.5 Ų146.589%0.88778%0.782SS**  trans97.2152.2150.8-73.4-175.8169.1167.4-3.9117.7
695P37.8Very low35.9Very low117 Ų117145.2 Ų145.276%0.7678%0.775SS**  cis-126.3179.5-34.137.1-22.2000111.9
696R32.6Very low36.4Very low237 Ų237143.8 Ų143.889%0.89477%0.77SS**PPolyproline II helixtrans-100.7143163.6-79.4-177.3174.9167.7-2.2109.9
697P36.1Very low36.5Very low125 Ų125147 Ų14781%0.81277%0.771SS**PPolyproline II helixtrans-78.1151.9158.833.8-32.4000110.5
698E41.2Very low35.9Very low204 Ų204150.8 Ų150.895%0.95378%0.777SS**PPolyproline II helixtrans-84.7147171.1-65.1176.4135.400110.3
699G33.4Very low35.8Very low64 Ų64148.1 Ų148.166%0.6677%0.77SS**  trans-169.2130.7179.600000110.5Q701G699-Q701 PolarHBondContact O-N 3.43Å
700M37.3Very low35.9Very low194 Ų194152.1 Ų152.196%0.95678%0.777SS**  trans-64.9123.7-173.7-62.8172.173.600110.7T702M700-T702 PolarHBondContact O-N 3.01Å
701Q38.1Very low36.3Very low171 Ų171152.2 Ų152.280%0.79977%0.774SS**  trans-88.1109-176.4-65.8-175-0.100111G699G699-Q701 PolarHBondContact O-N 3.43Å
702T52.8Low36.4Very low92 Ų92159.2 Ų159.256%0.56480%0.799SS**  trans-76.9155.4169.859.40000111.3M700 E704 S705M700-T702 PolarHBondContact O-N 3.01Å; T702-E704 PolarHBondContact O-N 3.23Å; T702-E704 VanDerWaalsContact O-N 3.08Å; T702-S705 WeakPolarHBondContact O-CB 3.41Å; T702-S705 PolarHBondContact O-N 3.25Å; T702-S705 VanDerWaalsContact O-N 3.14Å; T702-S705 PolarHBondContact O-OG 3.2Å
703L40.2Very low36.7Very low144 Ų144159.2 Ų159.275%0.75480%0.795SS**G310 helixtrans-58.9-20.8-177.9-99.6163.3000114.6S705 F706L703-S705 PolarHBondContact O-N 3.39Å; L703-F706 PolarHBondContact O-N 3.46Å
704E42.3Very low37.1Very low154 Ų154157.1 Ų157.172%0.7279%0.792SS**G310 helixtrans-66.4-24178.1-58.8-172121.500113.2T702 F706 F707T702-E704 PolarHBondContact O-N 3.23Å; T702-E704 VanDerWaalsContact O-N 3.08Å; E704-F706 PolarHBondContact O-N 2.89Å; E704-F706 VanDerWaalsContact O-N 3.14Å; E704-F707 PolarHBondContact O-N 3.13Å; E704-F707 VanDerWaalsContact O-N 3.14Å
705S39.7Very low37.3Very low68 Ų68152.7 Ų152.748%0.47679%0.787SS.*G310 helixtrans-58-25.2177.259.10000113.6T702 L703T702-S705 WeakPolarHBondContact O-CB 3.41Å; T702-S705 PolarHBondContact O-N 3.25Å; T702-S705 VanDerWaalsContact O-N 3.14Å; T702-S705 PolarHBondContact O-OG 3.2Å; L703-S705 PolarHBondContact O-N 3.39Å
706F39.3Very low37.3Very low164 Ų164154.8 Ų154.872%0.71979%0.788SS**G310 helixtrans-84.4-6.1179.9-92.8-92.2000115.3L703 E704L703-F706 PolarHBondContact O-N 3.46Å; E704-F706 PolarHBondContact O-N 2.89Å; E704-F706 VanDerWaalsContact O-N 3.14Å
707F35.9Very low37.6Very low169 Ų169149.7 Ų149.774%0.74178%0.781SS**  trans-121.48.9-168.4-73.8-73.5000116.1E704E704-F707 PolarHBondContact O-N 3.13Å; E704-F707 VanDerWaalsContact O-N 3.14Å
708K33.3Very low37.7Very low182 Ų182151.3 Ų151.379%0.79178%0.779SS**PPolyproline II helixtrans-74.4129.5170.3-72.4-171.6176.6-179.60111.1
709P29.4Very low37.4Very low109 Ų109147.6 Ų147.671%0.70877%0.767SS**PPolyproline II helixtrans-63.7138.5168.5-17.931.2000110.6T711P709-T711 PolarHBondContact O-N 3.14Å
710L32.8Very low37.7Very low176 Ų176154 Ų15492%0.92178%0.775SS**PPolyproline II helixtrans-71.6118.3163.9-71168.7000108.5
711T34.8Very low37.8Very low116 Ų116150.7 Ų150.771%0.71276%0.76SS**  trans-106.3124.9171.9500000109.4P709P709-T711 PolarHBondContact O-N 3.14Å
712H34.6Very low37.7Very low263 Ų263148.8 Ų148.8100%1.21876%0.757SS**  trans74.10-166.7-60.4-78.6000114

Retrieved 712 of 712 residues in 290.8 ms (Link to these results)

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