A0A096NKZ2_PAPAN Loading...

NADPH oxidase organizer 1

Constitutively potentiates the superoxide-generating activity of NOX1 and NOX3 and is required for the biogenesis of otoconia/otolith, which are crystalline structures of the inner ear involved in the perception of gravity. Isoform 3 is more potent than isoform 1 in activating NOX3. Together with NOXA1, may also substitute to NCF1/p47phox and NCF2/p67phox in supporting the phagocyte NOX2/gp91phox superoxide-generating activity.

AlphaFold DB , UniProt , Accession A0A096NKZ2, Species PAPAN (Papio anubis, Olive baboon), Gene NOXO1, Length 379 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
1M38.1Very low71.9Confident242 Ų24272.1 Ų72.1100%1.19243%0.431SS*.  0107.40-68.9-162-172.100108.5G3M1-G3 PolarHBondContact O-N 3.43Å
2A44.5Very low72.3Confident95 Ų9567 Ų6779%0.78540%0.404SS*.  trans-68125.1174.900000108.9
3G58.1Low72.6Confident56 Ų5663.3 Ų63.358%0.57739%0.385SS*.  trans-59160.4176.600000111.8M1 R5M1-G3 PolarHBondContact O-N 3.43Å; G3-R5 PolarHBondContact O-N 2.7Å
4P66.9Low72.6Confident116 Ų11658.9 Ų58.975%0.75336%0.358SS*.  trans-59.1114.8178.323.8-32000109.9Y6P4-Y6 VanDerWaalsContact O-CD1 3.25Å; P4-Y6 WeakPolarHBondContact O-CD1 3.17Å
5R81.6Confident72.8Confident50 Ų5054.9 Ų54.919%0.18933%0.334CS..  trans-87.4119.3179.9-163-171.4177.6-164.1-3.5109.2G3 W30 D32 S34 A261G3-R5 PolarHBondContact O-N 2.7Å; R5-W30 HydrophobicContact CB-CE3 4.45Å; R5-W30 HydrophobicContact CG-CB 4.11Å; R5-W30 HydrophobicContact CG-CD2 4.08Å; R5-W30 HydrophobicContact CG-CE3 3.61Å; R5-W30 HydrophobicContact CG-CG 4.33Å; R5-W30 HydrophobicContact CG-CZ3 4.3Å; R5-W30 VanDerWaalsContact NH2-CD1 3.28Å; R5-D32 IonicContact CZ-OD2 2.59Å; R5-D32 IonicContact NE-OD1 3.66Å; R5-D32 IonicContact NE-OD2 2.78Å; R5-D32 PolarHBondContact NE-OD2 2.84Å; R5-D32 IonicContact NH2-OD2 3.39Å; R5-S34 PolarHBondContact NH2-OG 2.75Å; R5-A261 PolarHBondContact NH1-O 3.38Å
6Y84.4Confident73Confident65 Ų6551.6 Ų51.626%0.25531%0.314SS..  trans-131.6149.2178.553.5-89.7000111.6P4 V8 W30 S31 R116P4-Y6 VanDerWaalsContact O-CD1 3.25Å; P4-Y6 WeakPolarHBondContact O-CD1 3.17Å; Y6-V8 HydrophobicContact CD2-CG2 4.37Å; Y6-V8 HydrophobicContact CE2-CG2 4.22Å; Y6-V8 PolarHBondContact O-N 3.17Å; Y6-W30 WeakPolarHBondContact O-CA 3.38Å; Y6-S31 PolarHBondContact N-OG 2.76Å; Y6-S31 PolarHBondContact O-N 3.06Å; Y6-R116 HydrophobicContact CD1-CG 4.14Å; Y6-R116 HydrophobicContact CD2-CG 4.31Å; Y6-R116 HydrophobicContact CG-CG 3.98Å
7P86.7Confident72.9Confident3 Ų350.8 Ų50.82%0.01931%0.306CS..EExtended strand (participates in β ladder)trans-70.7127.8177.328.4-33.1000110.2V28 R29 L108 I120 F124P7-V28 HydrophobicContact CB-CG1 3.58Å; P7-R29 CarbonylContact C-O 3.54Å; P7-L108 HydrophobicContact CB-CD1 4.43Å; P7-L108 HydrophobicContact CB-CD2 4.42Å; P7-L108 HydrophobicContact CG-CD2 3.93Å; P7-I120 HydrophobicContact CG-CG2 3.63Å; P7-F124 HydrophobicContact CB-CD2 4.28Å; P7-F124 HydrophobicContact CG-CB 4.5Å; P7-F124 HydrophobicContact CG-CD2 3.87Å; P7-F124 HydrophobicContact CG-CG 4.48Å
8V85.7Confident72.8Confident78 Ų7850.4 Ų50.447%0.47330%0.302SS..EExtended strand (participates in β ladder)trans-96.2-42.2179.4-179.70000110.7Y6 R29Y6-V8 HydrophobicContact CD2-CG2 4.37Å; Y6-V8 HydrophobicContact CE2-CG2 4.22Å; Y6-V8 PolarHBondContact O-N 3.17Å; V8-R29 PolarHBondContact N-O 2.74Å
9S82Confident72.8Confident36 Ų3657.1 Ų57.125%0.25233%0.326SS..EExtended strand (participates in β ladder)trans-142.9146177.272.50000111.9V28 R29S9-V28 WeakPolarHBondContact O-CA 3.37Å; S9-R29 PolarHBondContact N-O 3.24Å; S9-R29 PolarHBondContact O-N 3.2Å; S9-R29 WeakPolarHBondContact OG-CB 3.48Å
10V85.3Confident72.6Confident0 Ų065.8 Ų65.80%035%0.353CS..EExtended strand (participates in β ladder)trans-126.4132.1176.6178.60000108.5F26 C27 V28 S104 L108 F124V10-F26 HydrophobicContact CG1-CB 3.98Å; V10-F26 HydrophobicContact CG1-CD1 3.86Å; V10-F26 HydrophobicContact CG1-CG 4.18Å; V10-C27 CarbonylContact C-O 3.5Å; V10-C27 WeakPolarHBondContact CA-O 3.41Å; V10-V28 HydrophobicContact CG2-CG1 4.23Å; V10-V28 HydrophobicContact CG2-CG2 4.26Å; V10-S104 WeakPolarHBondContact CG1-OG 3.39Å; V10-L108 HydrophobicContact CB-CD1 4.46Å; V10-L108 HydrophobicContact CG2-CD1 3.71Å; V10-F124 HydrophobicContact CB-CE1 4.46Å; V10-F124 HydrophobicContact CG1-CE1 3.93Å; V10-F124 HydrophobicContact CG1-CZ 4.43Å; V10-F124 HydrophobicContact CG2-CD1 4.13Å; V10-F124 HydrophobicContact CG2-CE1 3.68Å; V10-F124 HydrophobicContact CG2-CE2 4.3Å; V10-F124 HydrophobicContact CG2-CZ 3.78Å
11Q78.1Confident72.5Confident52 Ų5268.6 Ų68.624%0.24337%0.368CS..EExtended strand (participates in β ladder)trans-126.9142.3178.3-63.7-177.2-17.300110.2A13 F26 C27 E101Q11-A13 PolarHBondContact O-N 2.74Å; Q11-F26 CarbonylContact O-C 3.53Å; Q11-F26 WeakPolarHBondContact O-CA 3.48Å; Q11-C27 HydrophobicContact CB-CB 4.41Å; Q11-C27 PolarHBondContact N-O 2.89Å; Q11-C27 PolarHBondContact O-N 3.01Å; Q11-E101 WeakPolarHBondContact CA-OE1 3.21Å
12G76.7Confident74.3Confident11 Ų1158.9 Ų58.911%0.11332%0.32CS..EExtended strand (participates in β ladder)trans-76.2109.3176.400000109.5E101G12-E101 PolarHBondContact N-OE1 3.46Å; G12-E101 PolarHBondContact N-OE2 2.92Å
13A76Confident76.1Confident19 Ų1955.6 Ų55.616%0.15729%0.29CS..EExtended strand (participates in β ladder)trans-92.5-41.4-172.900000113Q11 A25 C27 F37 P144 L301Q11-A13 PolarHBondContact O-N 2.74Å; A13-A25 PolarHBondContact N-O 2.86Å; A13-C27 HydrophobicContact CB-CB 4.41Å; A13-F37 HydrophobicContact CB-CD1 4.07Å; A13-F37 HydrophobicContact CB-CE1 4.07Å; A13-P144 WeakPolarHBondContact O-CD 3.31Å; A13-L301 HydrophobicContact CB-CD1 4.18Å
14A72.7Confident77.3Confident1 Ų153 Ų531%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-161.7158.7-178.600000113.3A25 V141 L143 L301A14-A25 HydrophobicContact CB-CB 3.97Å; A14-A25 PolarHBondContact N-O 2.86Å; A14-A25 VanDerWaalsContact N-O 3.14Å; A14-A25 PolarHBondContact O-N 3.39Å; A14-V141 HydrophobicContact CB-CG1 3.75Å; A14-L143 HydrophobicContact CB-CD2 3.72Å; A14-L301 HydrophobicContact CB-CD2 4.27Å
15L75.3Confident78.1Confident0 Ų047.5 Ų47.50%023%0.227CC..EExtended strand (participates in β ladder)trans-99.3118.3162.4175.671000109.1Q22 F24 L94 I142L15-Q22 HydrophobicContact CD1-CB 4.23Å; L15-F24 HydrophobicContact CD1-CD1 3.6Å; L15-F24 HydrophobicContact CD1-CE1 3.45Å; L15-F24 VanDerWaalsContact CD1-CE1 3.45Å; L15-F24 HydrophobicContact CD1-CZ 4.34Å; L15-L94 HydrophobicContact CB-CD2 4.03Å; L15-L94 HydrophobicContact CD2-CG 4.47Å; L15-I142 HydrophobicContact CB-CB 4.24Å; L15-I142 HydrophobicContact CD2-CD1 4.05Å; L15-I142 PolarHBondContact N-O 3.47Å; L15-I142 PolarHBondContact O-N 2.71Å
16V75.8Confident78.2Confident1 Ų145.1 Ų45.11%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-102113176.7-177.30000108.8I18 T23 A25 L135 V141V16-I18 HydrophobicContact CG1-CD1 4.37Å; V16-I18 HydrophobicContact CG1-CG1 4.02Å; V16-T23 WeakPolarHBondContact CA-O 3.36Å; V16-T23 PolarHBondContact N-O 2.82Å; V16-T23 PolarHBondContact O-N 3.28Å; V16-T23 VanDerWaalsContact O-O 3.06Å; V16-A25 HydrophobicContact CG2-CB 4.3Å; V16-L135 HydrophobicContact CG1-CD1 4.49Å; V16-L135 HydrophobicContact CG1-CD2 3.47Å; V16-L135 VanDerWaalsContact CG1-CD2 3.47Å; V16-V141 HydrophobicContact CG2-CG2 4.42Å
17Q72.4Confident78Confident39 Ų3942.9 Ų42.918%0.18221%0.212CC..EExtended strand (participates in β ladder)trans-100.3117.1176.6-174.3175.1-1100110.3K19 S139 R140Q17-K19 PolarHBondContact NE2-O 2.73Å; Q17-S139 CarbonylContact O-C 3.57Å; Q17-S139 VanDerWaalsContact O-CA 3.25Å; Q17-S139 WeakPolarHBondContact O-CA 3.3Å; Q17-R140 HydrophobicContact CB-CB 4.43Å; Q17-R140 PolarHBondContact N-O 2.88Å; Q17-R140 PolarHBondContact O-N 3.02Å
18I70.3Confident77.9Confident44 Ų4442.8 Ų42.823%0.22621%0.211CC..EExtended strand (participates in β ladder)trans-112.8103.7176.9-51.2-179.9000107.6V16 R20 L21V16-I18 HydrophobicContact CG1-CD1 4.37Å; V16-I18 HydrophobicContact CG1-CG1 4.02Å; I18-R20 PolarHBondContact O-N 3.15Å; I18-L21 PolarHBondContact N-O 2.89Å; I18-L21 PolarHBondContact O-N 3.01Å
19K72.4Confident77.9Confident177 Ų17743.4 Ų43.477%0.7721%0.205SC*.THydrogen-bonded Turntrans54.8-109.4-173.4-57178.4178.4178.40111.7Q17Q17-K19 PolarHBondContact NE2-O 2.73Å
20R68.6Low78Confident230 Ų23042.2 Ų42.287%0.86820%0.195SC*.THydrogen-bonded Turntrans-97.2-10176.7-67.5-172.9176.6-1740.3113.4I18I18-R20 PolarHBondContact O-N 3.15Å
21L70.9Confident78Confident126 Ų12644.5 Ų44.566%0.6621%0.211SC*.EExtended strand (participates in β ladder)trans-89.9141.7-179-60.8176.2000110.4I18I18-L21 PolarHBondContact N-O 2.89Å; I18-L21 PolarHBondContact O-N 3.01Å
22Q76.3Confident78.1Confident38 Ų3845.3 Ų45.318%0.17822%0.217CC..EExtended strand (participates in β ladder)trans-114.9123.3176.7-69.8-179-21.800108.7L15 R89L15-Q22 HydrophobicContact CD1-CB 4.23Å; Q22-R89 PolarHBondContact NE2-O 3.08Å
23T81.6Confident78Confident26 Ų2647.7 Ų47.716%0.1624%0.241CC..EExtended strand (participates in β ladder)trans-119.1146.8174.7-49.80000108.3V16 R39 R40V16-T23 WeakPolarHBondContact CA-O 3.36Å; V16-T23 PolarHBondContact N-O 2.82Å; V16-T23 PolarHBondContact O-N 3.28Å; V16-T23 VanDerWaalsContact O-O 3.06Å; T23-R39 HydrophobicContact CG2-CB 3.85Å; T23-R40 WeakPolarHBondContact CG2-O 3.38Å
24F84.4Confident78Confident2 Ų247.3 Ų47.31%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-111.8125.4-176.2-54-78000108.4L15 F26 R39 R40 W42 G93 R96 L97 L100L15-F24 HydrophobicContact CD1-CD1 3.6Å; L15-F24 HydrophobicContact CD1-CE1 3.45Å; L15-F24 VanDerWaalsContact CD1-CE1 3.45Å; L15-F24 HydrophobicContact CD1-CZ 4.34Å; F24-F26 HydrophobicContact CB-CD2 4.43Å; F24-F26 HydrophobicContact CB-CE2 3.49Å; F24-F26 VanDerWaalsContact CB-CE2 3.49Å; F24-F26 HydrophobicContact CB-CZ 3.74Å; F24-R39 CarbonylContact O-C 3.58Å; F24-R39 WeakPolarHBondContact O-CA 3.48Å; F24-R40 WeakPolarHBondContact CA-O 3.24Å; F24-R40 WeakPolarHBondContact CB-O 3.44Å; F24-R40 WeakPolarHBondContact CD2-O 3.43Å; F24-R40 PolarHBondContact N-O 3.03Å; F24-R40 PolarHBondContact O-N 2.78Å; F24-W42 HydrophobicContact CE2-CB 4.1Å; F24-G93 WeakPolarHBondContact CE1-O 3.27Å; F24-R96 HydrophobicContact CE1-CB 3.84Å; F24-R96 HydrophobicContact CZ-CB 3.81Å; F24-L97 HydrophobicContact CB-CD1 3.81Å; F24-L97 HydrophobicContact CD1-CB 4.01Å; F24-L97 HydrophobicContact CD1-CD1 4.07Å; F24-L97 HydrophobicContact CG-CD1 4.37Å; F24-L100 HydrophobicContact CB-CD1 4.36Å; F24-L100 HydrophobicContact CD1-CD1 4.45Å; F24-L100 HydrophobicContact CD2-CD1 3.57Å; F24-L100 HydrophobicContact CE2-CD1 3.93Å; F24-L100 HydrophobicContact CG-CD1 3.86Å
25A82.6Confident78.2Confident0 Ų048.9 Ų48.90%025%0.245CC..EExtended strand (participates in β ladder)trans-92134.9173.900000109.7A13 A14 V16 V38 R39 L297A13-A25 PolarHBondContact N-O 2.86Å; A14-A25 HydrophobicContact CB-CB 3.97Å; A14-A25 PolarHBondContact N-O 2.86Å; A14-A25 VanDerWaalsContact N-O 3.14Å; A14-A25 PolarHBondContact O-N 3.39Å; V16-A25 HydrophobicContact CG2-CB 4.3Å; A25-V38 CarbonylContact C-O 3.54Å; A25-V38 VanDerWaalsContact CA-O 3.27Å; A25-V38 WeakPolarHBondContact CA-O 3.26Å; A25-R39 HydrophobicContact CB-CG 4.41Å; A25-L297 HydrophobicContact CB-CD2 4.15Å
26F84.1Confident78.3Confident0 Ų049.1 Ų49.10%025%0.247CC..EExtended strand (participates in β ladder)trans-123.7140.6178-61.7-86.1000110.1V10 Q11 F24 F37 V38 R40 F45 L97 L100V10-F26 HydrophobicContact CG1-CB 3.98Å; V10-F26 HydrophobicContact CG1-CD1 3.86Å; V10-F26 HydrophobicContact CG1-CG 4.18Å; Q11-F26 CarbonylContact O-C 3.53Å; Q11-F26 WeakPolarHBondContact O-CA 3.48Å; F24-F26 HydrophobicContact CB-CD2 4.43Å; F24-F26 HydrophobicContact CB-CE2 3.49Å; F24-F26 VanDerWaalsContact CB-CE2 3.49Å; F24-F26 HydrophobicContact CB-CZ 3.74Å; F26-F37 CarbonylContact O-C 3.48Å; F26-F37 WeakPolarHBondContact O-CA 3.33Å; F26-V38 HydrophobicContact CB-CG2 4.05Å; F26-V38 PolarHBondContact N-O 3.38Å; F26-V38 PolarHBondContact O-N 2.91Å; F26-R40 HydrophobicContact CE2-CB 4.33Å; F26-F45 HydrophobicContact CD2-CE2 4.29Å; F26-F45 HydrophobicContact CD2-CZ 4.3Å; F26-F45 HydrophobicContact CE1-CZ 4.37Å; F26-F45 AromaticContact CE2-CE2 3.43Å; F26-F45 HydrophobicContact CE2-CE2 3.43Å; F26-F45 VanDerWaalsContact CE2-CE2 3.43Å; F26-F45 AromaticContact CE2-CZ 3.67Å; F26-F45 HydrophobicContact CE2-CZ 3.67Å; F26-F45 AromaticContact CZ-CE2 3.72Å; F26-F45 HydrophobicContact CZ-CE2 3.72Å; F26-F45 AromaticContact CZ-CZ 3.7Å; F26-F45 HydrophobicContact CZ-CZ 3.7Å; F26-L97 HydrophobicContact CE1-CD1 3.91Å; F26-L97 HydrophobicContact CZ-CD1 3.97Å; F26-L100 HydrophobicContact CE1-CB 3.99Å; F26-L100 HydrophobicContact CZ-CB 3.66Å; F26-L100 HydrophobicContact CZ-CD1 3.94Å; F26-L100 HydrophobicContact CZ-CG 4.47Å
27C79.9Confident78.5Confident18 Ų1850.4 Ų50.412%0.12225%0.253CS..EExtended strand (participates in β ladder)trans-89.8126.4164-173.60000108.2V10 Q11 A13 F37V10-C27 CarbonylContact C-O 3.5Å; V10-C27 WeakPolarHBondContact CA-O 3.41Å; Q11-C27 HydrophobicContact CB-CB 4.41Å; Q11-C27 PolarHBondContact N-O 2.89Å; Q11-C27 PolarHBondContact O-N 3.01Å; A13-C27 HydrophobicContact CB-CB 4.41Å; C27-F37 HydrophobicContact CB-CD1 3.96Å; C27-F37 HydrophobicContact CB-CE1 3.68Å; C27-F37 HydrophobicContact CB-CZ 4.44Å
28V85.8Confident79.1Confident0 Ų048.6 Ų48.60%024%0.244CC..EExtended strand (participates in β ladder)trans-117.5119.5179.8-174.30000108.1P7 S9 V10 W30 D35 T36 V38 F124P7-V28 HydrophobicContact CB-CG1 3.58Å; S9-V28 WeakPolarHBondContact O-CA 3.37Å; V10-V28 HydrophobicContact CG2-CG1 4.23Å; V10-V28 HydrophobicContact CG2-CG2 4.26Å; V28-W30 HydrophobicContact CG1-CZ2 4.46Å; V28-D35 CarbonylContact O-C 3.48Å; V28-D35 WeakPolarHBondContact O-CA 3.49Å; V28-T36 PolarHBondContact N-O 3.49Å; V28-T36 PolarHBondContact O-N 2.78Å; V28-V38 HydrophobicContact CG2-CG2 3.74Å; V28-F124 HydrophobicContact CG1-CB 4.14Å; V28-F124 HydrophobicContact CG1-CG 4.42Å; V28-F124 HydrophobicContact CG2-CB 4.23Å; V28-F124 HydrophobicContact CG2-CD1 3.62Å; V28-F124 HydrophobicContact CG2-CE1 4.4Å; V28-F124 HydrophobicContact CG2-CG 4.24Å
29R84.2Confident79.7Confident92 Ų9247 Ų4735%0.34724%0.235SC..EExtended strand (participates in β ladder)trans-89.6129.8169.6-176163.7-67.2167.1-0.5109.7P7 V8 S9 D35P7-R29 CarbonylContact C-O 3.54Å; V8-R29 PolarHBondContact N-O 2.74Å; S9-R29 PolarHBondContact N-O 3.24Å; S9-R29 PolarHBondContact O-N 3.2Å; S9-R29 WeakPolarHBondContact OG-CB 3.48Å; R29-D35 VanDerWaalsContact CA-OD1 3.27Å; R29-D35 WeakPolarHBondContact CA-OD1 3.48Å; R29-D35 WeakPolarHBondContact CB-OD1 3.47Å; R29-D35 WeakPolarHBondContact CG-OD1 3.33Å; R29-D35 IonicContact CZ-OD1 2.89Å; R29-D35 IonicContact CZ-OD2 3.23Å; R29-D35 IonicContact NE-OD1 3.66Å; R29-D35 PolarHBondContact NE-OD1 3.22Å; R29-D35 IonicContact NE-OD2 3.16Å; R29-D35 IonicContact NH2-OD1 3.03Å; R29-D35 IonicContact NH2-OD2 2.62Å; R29-D35 PolarHBondContact NH2-OD2 2.93Å; R29-D35 VanDerWaalsContact NH2-OD2 3.17Å
30W85.8Confident80.4Confident10 Ų1038.6 Ų38.64%0.03820%0.199CC..EExtended strand (participates in β ladder)trans-100.5163.8179.8-62.288.5000111.4R5 Y6 V28 D32 G33 S34 T36 F124R5-W30 HydrophobicContact CB-CE3 4.45Å; R5-W30 HydrophobicContact CG-CB 4.11Å; R5-W30 HydrophobicContact CG-CD2 4.08Å; R5-W30 HydrophobicContact CG-CE3 3.61Å; R5-W30 HydrophobicContact CG-CG 4.33Å; R5-W30 HydrophobicContact CG-CZ3 4.3Å; R5-W30 VanDerWaalsContact NH2-CD1 3.28Å; Y6-W30 WeakPolarHBondContact O-CA 3.38Å; V28-W30 HydrophobicContact CG1-CZ2 4.46Å; W30-D32 WeakPolarHBondContact CB-OD1 3.37Å; W30-D32 PolarHBondContact O-N 2.81Å; W30-D32 VanDerWaalsContact O-N 3.17Å; W30-G33 PolarHBondContact O-N 2.99Å; W30-S34 VanDerWaalsContact CD1-O 3.31Å; W30-S34 PolarHBondContact N-O 3.12Å; W30-T36 PolarHBondContact NE1-OG1 2.78Å; W30-F124 HydrophobicContact CH2-CB 4.31Å; W30-F124 HydrophobicContact CZ2-CB 4.46Å; W30-F124 VanDerWaalsContact CZ2-O 3.28Å; W30-F124 WeakPolarHBondContact CZ2-O 3.47Å
31S84.6Confident81.2Confident49 Ų4929 Ų2934%0.34317%0.167SC..THydrogen-bonded Turntrans-63.2-16.4179.157.10000114.5Y6 G33Y6-S31 PolarHBondContact N-OG 2.76Å; Y6-S31 PolarHBondContact O-N 3.06Å; S31-G33 VanDerWaalsContact C-N 3.3Å
32D80.4Confident81.8Confident69 Ų6924.5 Ų24.537%0.36914%0.141SC..THydrogen-bonded Turntrans-87.64.7175.461.44.4000113.1R5 W30 S34 Y280R5-D32 IonicContact CZ-OD2 2.59Å; R5-D32 IonicContact NE-OD1 3.66Å; R5-D32 IonicContact NE-OD2 2.78Å; R5-D32 PolarHBondContact NE-OD2 2.84Å; R5-D32 IonicContact NH2-OD2 3.39Å; W30-D32 WeakPolarHBondContact CB-OD1 3.37Å; W30-D32 PolarHBondContact O-N 2.81Å; W30-D32 VanDerWaalsContact O-N 3.17Å; D32-S34 VanDerWaalsContact CG-OG 3.22Å; D32-S34 PolarHBondContact O-N 3.16Å; D32-S34 VanDerWaalsContact OD1-CB 3.25Å; D32-S34 WeakPolarHBondContact OD1-CB 3.33Å; D32-S34 PolarHBondContact OD1-N 3.09Å; D32-S34 PolarHBondContact OD1-OG 3.25Å; D32-S34 PolarHBondContact OD2-OG 3.08Å; D32-Y280 PolarHBondContact OD2-OH 3.14Å
33G73.2Confident82.1Confident60 Ų6026 Ų2662%0.61915%0.151SC*.SBendtrans78.80.7-176.200000114.3W30 S31W30-G33 PolarHBondContact O-N 2.99Å; S31-G33 VanDerWaalsContact C-N 3.3Å
34S76.2Confident82.4Confident12 Ų1226.9 Ų26.98%0.08415%0.153CC..  trans-79.7142.3175.468.70000111.7R5 W30 D32R5-S34 PolarHBondContact NH2-OG 2.75Å; W30-S34 VanDerWaalsContact CD1-O 3.31Å; W30-S34 PolarHBondContact N-O 3.12Å; D32-S34 VanDerWaalsContact CG-OG 3.22Å; D32-S34 PolarHBondContact O-N 3.16Å; D32-S34 VanDerWaalsContact OD1-CB 3.25Å; D32-S34 WeakPolarHBondContact OD1-CB 3.33Å; D32-S34 PolarHBondContact OD1-N 3.09Å; D32-S34 PolarHBondContact OD1-OG 3.25Å; D32-S34 PolarHBondContact OD2-OG 3.08Å
35D77.3Confident82.5Confident33 Ų3326.8 Ų26.818%0.17615%0.152CC..EExtended strand (participates in β ladder)trans-108.9131.5172.8-72.4-18.2000109.2V28 R29 R264V28-D35 CarbonylContact O-C 3.48Å; V28-D35 WeakPolarHBondContact O-CA 3.49Å; R29-D35 VanDerWaalsContact CA-OD1 3.27Å; R29-D35 WeakPolarHBondContact CA-OD1 3.48Å; R29-D35 WeakPolarHBondContact CB-OD1 3.47Å; R29-D35 WeakPolarHBondContact CG-OD1 3.33Å; R29-D35 IonicContact CZ-OD1 2.89Å; R29-D35 IonicContact CZ-OD2 3.23Å; R29-D35 IonicContact NE-OD1 3.66Å; R29-D35 PolarHBondContact NE-OD1 3.22Å; R29-D35 IonicContact NE-OD2 3.16Å; R29-D35 IonicContact NH2-OD1 3.03Å; R29-D35 IonicContact NH2-OD2 2.62Å; R29-D35 PolarHBondContact NH2-OD2 2.93Å; R29-D35 VanDerWaalsContact NH2-OD2 3.17Å; D35-R264 WeakPolarHBondContact O-CD 3.12Å
36T78.1Confident82.6Confident6 Ų633.3 Ų33.34%0.03718%0.177CC..EExtended strand (participates in β ladder)trans-127.9145177.262.80000111.4V28 W30 P126V28-T36 PolarHBondContact N-O 3.49Å; V28-T36 PolarHBondContact O-N 2.78Å; W30-T36 PolarHBondContact NE1-OG1 2.78Å; T36-P126 HydrophobicContact CG2-CG 4.24Å
37F80.4Confident82.8Confident28 Ų2840.2 Ų40.212%0.12320%0.203CC..EExtended strand (participates in β ladder)trans-98.3131.4173.3-64.4-84.8000111.1A13 F26 C27 L297 L301A13-F37 HydrophobicContact CB-CD1 4.07Å; A13-F37 HydrophobicContact CB-CE1 4.07Å; F26-F37 CarbonylContact O-C 3.48Å; F26-F37 WeakPolarHBondContact O-CA 3.33Å; C27-F37 HydrophobicContact CB-CD1 3.96Å; C27-F37 HydrophobicContact CB-CE1 3.68Å; C27-F37 HydrophobicContact CB-CZ 4.44Å; F37-L297 HydrophobicContact CB-CD2 4.23Å; F37-L301 HydrophobicContact CD1-CB 4.13Å; F37-L301 HydrophobicContact CD1-CD1 3.47Å; F37-L301 VanDerWaalsContact CD1-CD1 3.47Å; F37-L301 HydrophobicContact CD1-CG 4.45Å; F37-L301 HydrophobicContact CE1-CB 3.58Å; F37-L301 HydrophobicContact CE1-CD1 3.77Å; F37-L301 HydrophobicContact CE1-CG 4.31Å; F37-L301 HydrophobicContact CE2-CB 4.26Å; F37-L301 HydrophobicContact CG-CD1 4.02Å; F37-L301 HydrophobicContact CZ-CB 3.66Å
38V85Confident83.1Confident0 Ų039.9 Ų39.90%020%0.2CC..EExtended strand (participates in β ladder)trans-129.6144.1178.8-61.50000111.3A25 F26 V28 F124A25-V38 CarbonylContact C-O 3.54Å; A25-V38 VanDerWaalsContact CA-O 3.27Å; A25-V38 WeakPolarHBondContact CA-O 3.26Å; F26-V38 HydrophobicContact CB-CG2 4.05Å; F26-V38 PolarHBondContact N-O 3.38Å; F26-V38 PolarHBondContact O-N 2.91Å; V28-V38 HydrophobicContact CG2-CG2 3.74Å; V38-F124 WeakPolarHBondContact CG1-O 3.41Å; V38-F124 HydrophobicContact CG2-CD1 4.41Å
39R82.3Confident83.1Confident11 Ų1142.8 Ų42.84%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-110.3123.3179.3-54-174.5-66.8-169.512108.8T23 F24 A25 V129 D130 E132 L297T23-R39 HydrophobicContact CG2-CB 3.85Å; F24-R39 CarbonylContact O-C 3.58Å; F24-R39 WeakPolarHBondContact O-CA 3.48Å; A25-R39 HydrophobicContact CB-CG 4.41Å; R39-V129 VanDerWaalsContact CZ-O 3.24Å; R39-V129 VanDerWaalsContact NH2-C 3.31Å; R39-V129 PolarHBondContact NH2-O 3.31Å; R39-D130 WeakPolarHBondContact CA-OD1 3.4Å; R39-D130 WeakPolarHBondContact CB-OD1 3.44Å; R39-D130 WeakPolarHBondContact CG-OD1 3.47Å; R39-D130 PolarHBondContact N-OD1 3.03Å; R39-D130 IonicContact NE-OD1 2.6Å; R39-E132 IonicContact NH2-OE2 3.22Å; R39-L297 HydrophobicContact CG-CD2 3.94Å
40R87.1Confident83.2Confident1 Ų144.8 Ų44.80%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-134.5140.5-178.7-63.9-64.3177.6-92.1-3.4110.8T23 F24 F26 E44 F45 F123 A125 D130T23-R40 WeakPolarHBondContact CG2-O 3.38Å; F24-R40 WeakPolarHBondContact CA-O 3.24Å; F24-R40 WeakPolarHBondContact CB-O 3.44Å; F24-R40 WeakPolarHBondContact CD2-O 3.43Å; F24-R40 PolarHBondContact N-O 3.03Å; F24-R40 PolarHBondContact O-N 2.78Å; F26-R40 HydrophobicContact CE2-CB 4.33Å; R40-E44 VanDerWaalsContact CA-OE2 3.32Å; R40-E44 WeakPolarHBondContact CA-OE2 3.29Å; R40-F45 HydrophobicContact CB-CD2 4.21Å; R40-F45 HydrophobicContact CB-CE2 3.73Å; R40-F123 HydrophobicContact CB-CZ 4.1Å; R40-F123 HydrophobicContact CG-CE1 3.99Å; R40-F123 HydrophobicContact CG-CE2 4.44Å; R40-F123 HydrophobicContact CG-CZ 3.77Å; R40-F123 VanDerWaalsContact CZ-O 3.31Å; R40-F123 PolarHBondContact NE-O 2.85Å; R40-F123 PolarHBondContact NH2-O 3.15Å; R40-A125 PolarHBondContact NH2-O 3.1Å; R40-D130 IonicContact CZ-OD2 3.69Å; R40-D130 IonicContact NH1-OD1 3.26Å; R40-D130 IonicContact NH1-OD2 3.83Å; R40-D130 PolarHBondContact NH1-OD2 3.16Å; R40-D130 IonicContact NH2-OD2 3.25Å
41S85.8Confident83.3Confident28 Ų2847.1 Ų47.120%0.19624%0.239CC..EExtended strand (participates in β ladder)trans-87.1162.2174.863.30000111D43 E44 F45S41-D43 PolarHBondContact O-N 3.24Å; S41-E44 PolarHBondContact N-OE2 2.77Å; S41-E44 PolarHBondContact O-N 3.06Å; S41-E44 VanDerWaalsContact OG-CD 3.29Å; S41-E44 VanDerWaalsContact OG-CG 3.26Å; S41-E44 WeakPolarHBondContact OG-CG 3.25Å; S41-E44 PolarHBondContact OG-N 3.3Å; S41-E44 PolarHBondContact OG-OE2 2.87Å; S41-F45 PolarHBondContact O-N 3.37Å
42W82.3Confident83.4Confident32 Ų3244.9 Ų44.912%0.12122%0.223CC..Hα-helixtrans-57.3-36.9174.6-175.9-102.1000112.5F24 E44 F45 R46 L73 L79 R96 L100F24-W42 HydrophobicContact CE2-CB 4.1Å; W42-E44 VanDerWaalsContact C-N 3.32Å; W42-E44 PolarHBondContact O-N 2.89Å; W42-F45 PolarHBondContact O-N 3Å; W42-R46 PolarHBondContact O-N 3.17Å; W42-L73 HydrophobicContact CZ2-CD2 4.33Å; W42-L79 HydrophobicContact CH2-CD1 4.42Å; W42-R96 HydrophobicContact CE3-CG 4.44Å; W42-R96 HydrophobicContact CZ3-CB 4.29Å; W42-R96 HydrophobicContact CZ3-CG 4.15Å; W42-L100 HydrophobicContact CE3-CD1 3.96Å; W42-L100 HydrophobicContact CE3-CD2 3.91Å; W42-L100 HydrophobicContact CE3-CG 4.08Å; W42-L100 HydrophobicContact CZ3-CD1 4.24Å; W42-L100 HydrophobicContact CZ3-CD2 3.66Å; W42-L100 HydrophobicContact CZ3-CG 3.86Å
43D83.7Confident83.6Confident70 Ų7046.1 Ų46.137%0.37423%0.225SC..Hα-helixtrans-69.6-32.4-177.4-63.6-19.2000112.2S41 R46 R47S41-D43 PolarHBondContact O-N 3.24Å; D43-R46 WeakPolarHBondContact O-CB 3.35Å; D43-R46 PolarHBondContact O-N 3.36Å; D43-R46 IonicContact OD1-CZ 3.97Å; D43-R46 VanDerWaalsContact OD1-CZ 3.26Å; D43-R46 IonicContact OD1-NE 3.69Å; D43-R46 PolarHBondContact OD1-NE 2.84Å; D43-R46 IonicContact OD1-NH2 2.99Å; D43-R46 PolarHBondContact OD1-NH2 3.37Å; D43-R47 WeakPolarHBondContact O-CG 3.42Å; D43-R47 PolarHBondContact O-N 2.9Å
44E86.9Confident84.2Confident43 Ų4349.1 Ų49.120%0.20122%0.223CC..Hα-helixtrans-67.1-40.8174.1-71.8167.8143.200111.4R40 S41 W42 R46 R47 L48 F123R40-E44 VanDerWaalsContact CA-OE2 3.32Å; R40-E44 WeakPolarHBondContact CA-OE2 3.29Å; S41-E44 PolarHBondContact N-OE2 2.77Å; S41-E44 PolarHBondContact O-N 3.06Å; S41-E44 VanDerWaalsContact OG-CD 3.29Å; S41-E44 VanDerWaalsContact OG-CG 3.26Å; S41-E44 WeakPolarHBondContact OG-CG 3.25Å; S41-E44 PolarHBondContact OG-N 3.3Å; S41-E44 PolarHBondContact OG-OE2 2.87Å; W42-E44 VanDerWaalsContact C-N 3.32Å; W42-E44 PolarHBondContact O-N 2.89Å; E44-R46 VanDerWaalsContact C-N 3.3Å; E44-R46 PolarHBondContact O-N 2.81Å; E44-R47 PolarHBondContact O-N 2.94Å; E44-L48 WeakPolarHBondContact O-CB 3.2Å; E44-L48 PolarHBondContact O-N 3.39Å; E44-F123 HydrophobicContact CB-CE2 3.99Å
45F86.9Confident84.6Confident1 Ų152.2 Ų52.20%0.00424%0.242CC..Hα-helixtrans-63.5-36.4172-86.4-86.9000112.5F26 R40 S41 W42 L48 K49 L100 Y103 F123F26-F45 HydrophobicContact CD2-CE2 4.29Å; F26-F45 HydrophobicContact CD2-CZ 4.3Å; F26-F45 HydrophobicContact CE1-CZ 4.37Å; F26-F45 AromaticContact CE2-CE2 3.43Å; F26-F45 HydrophobicContact CE2-CE2 3.43Å; F26-F45 VanDerWaalsContact CE2-CE2 3.43Å; F26-F45 AromaticContact CE2-CZ 3.67Å; F26-F45 HydrophobicContact CE2-CZ 3.67Å; F26-F45 AromaticContact CZ-CE2 3.72Å; F26-F45 HydrophobicContact CZ-CE2 3.72Å; F26-F45 AromaticContact CZ-CZ 3.7Å; F26-F45 HydrophobicContact CZ-CZ 3.7Å; R40-F45 HydrophobicContact CB-CD2 4.21Å; R40-F45 HydrophobicContact CB-CE2 3.73Å; S41-F45 PolarHBondContact O-N 3.37Å; W42-F45 PolarHBondContact O-N 3Å; F45-L48 PolarHBondContact O-N 2.84Å; F45-K49 WeakPolarHBondContact O-CB 3.19Å; F45-K49 PolarHBondContact O-N 2.93Å; F45-L100 HydrophobicContact CB-CD2 3.97Å; F45-L100 HydrophobicContact CD1-CD2 3.83Å; F45-L100 HydrophobicContact CD2-CD1 3.92Å; F45-L100 HydrophobicContact CD2-CD2 3.96Å; F45-L100 HydrophobicContact CD2-CG 4.48Å; F45-L100 HydrophobicContact CE1-CD2 4.27Å; F45-L100 HydrophobicContact CE2-CD1 4.01Å; F45-L100 HydrophobicContact CE2-CD2 4.39Å; F45-L100 HydrophobicContact CG-CD1 4.47Å; F45-L100 HydrophobicContact CG-CD2 3.64Å; F45-L100 HydrophobicContact CZ-CB 4.41Å; F45-Y103 HydrophobicContact CD1-CD1 4.12Å; F45-Y103 HydrophobicContact CD1-CE1 4.21Å; F45-Y103 HydrophobicContact CE1-CD1 4.36Å; F45-F123 HydrophobicContact CD1-CE1 4.43Å; F45-F123 HydrophobicContact CD1-CZ 4.13Å; F45-F123 AromaticContact CD2-CZ 3.88Å; F45-F123 HydrophobicContact CD2-CZ 3.88Å; F45-F123 AromaticContact CE1-CE1 3.98Å; F45-F123 HydrophobicContact CE1-CE1 3.98Å; F45-F123 HydrophobicContact CE1-CZ 4.07Å; F45-F123 HydrophobicContact CE2-CE1 4.14Å; F45-F123 AromaticContact CE2-CZ 3.81Å; F45-F123 HydrophobicContact CE2-CZ 3.81Å; F45-F123 HydrophobicContact CG-CZ 4.04Å; F45-F123 AromaticContact CZ-CE1 3.82Å; F45-F123 HydrophobicContact CZ-CE1 3.82Å; F45-F123 AromaticContact CZ-CZ 3.92Å; F45-F123 HydrophobicContact CZ-CZ 3.92Å
46R84.6Confident85Confident137 Ų13751.7 Ų51.752%0.51724%0.238SC..Hα-helixtrans-64.3-43.1174.1-71.3-165.1-80.2170.1-13.8111.9W42 D43 E44 K50 L73W42-R46 PolarHBondContact O-N 3.17Å; D43-R46 WeakPolarHBondContact O-CB 3.35Å; D43-R46 PolarHBondContact O-N 3.36Å; D43-R46 IonicContact OD1-CZ 3.97Å; D43-R46 VanDerWaalsContact OD1-CZ 3.26Å; D43-R46 IonicContact OD1-NE 3.69Å; D43-R46 PolarHBondContact OD1-NE 2.84Å; D43-R46 IonicContact OD1-NH2 2.99Å; D43-R46 PolarHBondContact OD1-NH2 3.37Å; E44-R46 VanDerWaalsContact C-N 3.3Å; E44-R46 PolarHBondContact O-N 2.81Å; R46-K50 PolarHBondContact O-N 2.94Å; R46-K50 VanDerWaalsContact O-N 3.1Å; R46-L73 HydrophobicContact CG-CD2 4.27Å
47R87.8Confident85.2Confident145 Ų14553.8 Ų53.855%0.54725%0.252SS..Hα-helixtrans-62.6-48.1174.3-74.8-170.9-71.9-90.67.6111.2D43 E44 K49 K50 T51D43-R47 WeakPolarHBondContact O-CG 3.42Å; D43-R47 PolarHBondContact O-N 2.9Å; E44-R47 PolarHBondContact O-N 2.94Å; R47-K49 VanDerWaalsContact C-N 3.34Å; R47-K49 PolarHBondContact O-N 2.78Å; R47-K50 WeakPolarHBondContact O-CA 3.48Å; R47-K50 WeakPolarHBondContact O-CB 3.49Å; R47-K50 PolarHBondContact O-N 2.77Å; R47-T51 PolarHBondContact O-N 2.86Å; R47-T51 PolarHBondContact O-OG1 3.24Å; R47-T51 VanDerWaalsContact O-OG1 3.12Å
48L87.8Confident85.3Confident10 Ų1055.4 Ų55.45%0.05226%0.264CS..Hα-helixtrans-54.5-50176.9-179.566.9000111.5E44 F45 K50 T51 L52 L107 I120 F123E44-L48 WeakPolarHBondContact O-CB 3.2Å; E44-L48 PolarHBondContact O-N 3.39Å; F45-L48 PolarHBondContact O-N 2.84Å; L48-K50 VanDerWaalsContact C-N 3.28Å; L48-K50 PolarHBondContact O-N 2.98Å; L48-T51 PolarHBondContact O-N 3.05Å; L48-L52 HydrophobicContact CD1-CD1 4.24Å; L48-L52 HydrophobicContact CD1-CG 4.31Å; L48-L52 HydrophobicContact CD2-CD1 4.35Å; L48-L52 HydrophobicContact CG-CD1 3.83Å; L48-L52 HydrophobicContact CG-CG 4.33Å; L48-L52 WeakPolarHBondContact O-CB 3.41Å; L48-L52 VanDerWaalsContact O-CG 3.27Å; L48-L52 WeakPolarHBondContact O-CG 3.49Å; L48-L52 PolarHBondContact O-N 2.62Å; L48-L107 HydrophobicContact CD2-CD2 4.49Å; L48-I120 HydrophobicContact CD1-CD1 4.36Å; L48-I120 HydrophobicContact CD2-CD1 4.34Å; L48-F123 HydrophobicContact CB-CD2 3.87Å; L48-F123 HydrophobicContact CB-CE2 3.88Å; L48-F123 HydrophobicContact CB-CG 4.5Å; L48-F123 HydrophobicContact CD1-CB 3.74Å; L48-F123 HydrophobicContact CD1-CD2 3.88Å; L48-F123 HydrophobicContact CD1-CG 3.85Å; L48-F123 HydrophobicContact CD2-CB 4.28Å; L48-F123 HydrophobicContact CD2-CD1 3.66Å; L48-F123 HydrophobicContact CD2-CD2 3.82Å; L48-F123 HydrophobicContact CD2-CE1 3.85Å; L48-F123 HydrophobicContact CD2-CE2 3.98Å; L48-F123 HydrophobicContact CD2-CG 3.64Å; L48-F123 HydrophobicContact CD2-CZ 4Å; L48-F123 HydrophobicContact CG-CD2 4.05Å; L48-F123 HydrophobicContact CG-CE2 4.38Å; L48-F123 HydrophobicContact CG-CG 4.19Å
49K85Confident85.2Confident62 Ų6257.1 Ų57.127%0.2727%0.272SS..Hα-helixtrans-57.4-42177179.3-173.1-178179.70111.9F45 R47 L52 K53 L73F45-K49 WeakPolarHBondContact O-CB 3.19Å; F45-K49 PolarHBondContact O-N 2.93Å; R47-K49 VanDerWaalsContact C-N 3.34Å; R47-K49 PolarHBondContact O-N 2.78Å; K49-L52 PolarHBondContact O-N 2.74Å; K49-K53 WeakPolarHBondContact O-CG 3.4Å; K49-K53 PolarHBondContact O-N 3.02Å; K49-L73 HydrophobicContact CD-CB 3.66Å; K49-L73 HydrophobicContact CD-CD2 4.22Å
50K85.9Confident85Confident133 Ų13357.3 Ų57.358%0.57828%0.276SS*.Hα-helixtrans-62.4-50.4178.1-176.2-179.6172.9-176.30110.2R46 R47 L48 L52 K53 E54R46-K50 PolarHBondContact O-N 2.94Å; R46-K50 VanDerWaalsContact O-N 3.1Å; R47-K50 WeakPolarHBondContact O-CA 3.48Å; R47-K50 WeakPolarHBondContact O-CB 3.49Å; R47-K50 PolarHBondContact O-N 2.77Å; L48-K50 VanDerWaalsContact C-N 3.28Å; L48-K50 PolarHBondContact O-N 2.98Å; K50-L52 VanDerWaalsContact C-N 3.35Å; K50-L52 PolarHBondContact O-N 2.89Å; K50-K53 PolarHBondContact O-N 3.49Å; K50-K53 VanDerWaalsContact O-N 3.16Å; K50-E54 WeakPolarHBondContact CE-OE1 3.37Å; K50-E54 WeakPolarHBondContact CG-OE1 3.37Å; K50-E54 WeakPolarHBondContact O-CG 3.42Å; K50-E54 PolarHBondContact O-N 2.76Å; K50-E54 VanDerWaalsContact O-N 3.08Å
51T87.5Confident84.6Confident60 Ų6058.1 Ų58.137%0.36828%0.284SS..Hα-helixtrans-56.8-47.4176.4-54.10000111.2R47 L48 K53 E54 T55 A119R47-T51 PolarHBondContact O-N 2.86Å; R47-T51 PolarHBondContact O-OG1 3.24Å; R47-T51 VanDerWaalsContact O-OG1 3.12Å; L48-T51 PolarHBondContact O-N 3.05Å; T51-K53 VanDerWaalsContact C-N 3.31Å; T51-K53 PolarHBondContact O-N 3.43Å; T51-E54 WeakPolarHBondContact O-CB 3.35Å; T51-E54 PolarHBondContact O-N 3.2Å; T51-T55 PolarHBondContact O-N 3.38Å; T51-T55 PolarHBondContact O-OG1 3.1Å; T51-A119 HydrophobicContact CG2-CB 4.37Å
52L86.6Confident84.2Confident1 Ų162 Ų621%0.00530%0.302CS..Hα-helixtrans-60.6-38.2178.4-70.3167.6000113L48 K49 K50 E54 T55 F56 L107 V114 A119 I120L48-L52 HydrophobicContact CD1-CD1 4.24Å; L48-L52 HydrophobicContact CD1-CG 4.31Å; L48-L52 HydrophobicContact CD2-CD1 4.35Å; L48-L52 HydrophobicContact CG-CD1 3.83Å; L48-L52 HydrophobicContact CG-CG 4.33Å; L48-L52 WeakPolarHBondContact O-CB 3.41Å; L48-L52 VanDerWaalsContact O-CG 3.27Å; L48-L52 WeakPolarHBondContact O-CG 3.49Å; L48-L52 PolarHBondContact O-N 2.62Å; K49-L52 PolarHBondContact O-N 2.74Å; K50-L52 VanDerWaalsContact C-N 3.35Å; K50-L52 PolarHBondContact O-N 2.89Å; L52-E54 VanDerWaalsContact C-N 3.31Å; L52-E54 PolarHBondContact O-N 3.17Å; L52-T55 PolarHBondContact O-N 3.19Å; L52-F56 HydrophobicContact CD2-CD2 4.04Å; L52-F56 HydrophobicContact CD2-CE2 3.95Å; L52-F56 VanDerWaalsContact O-CB 3.32Å; L52-F56 WeakPolarHBondContact O-CB 3.29Å; L52-F56 WeakPolarHBondContact O-CD2 3.48Å; L52-F56 PolarHBondContact O-N 3.35Å; L52-L107 HydrophobicContact CD1-CD1 3.92Å; L52-L107 HydrophobicContact CD1-CD2 3.84Å; L52-L107 HydrophobicContact CD1-CG 4.48Å; L52-V114 HydrophobicContact CD2-CG1 4.16Å; L52-A119 HydrophobicContact CD2-CB 4.29Å; L52-I120 HydrophobicContact CD1-CD1 3.83Å; L52-I120 HydrophobicContact CD2-CD1 3.82Å; L52-I120 HydrophobicContact CD2-CG1 4.04Å; L52-I120 HydrophobicContact CG-CD1 4.37Å
53K85.1Confident83.9Confident95 Ų9566.4 Ų66.441%0.41333%0.327SS..Hα-helixtrans-67.1-33.4175.3-73.9-179.873.2-1590112.7K49 K50 T51 A60K49-K53 WeakPolarHBondContact O-CG 3.4Å; K49-K53 PolarHBondContact O-N 3.02Å; K50-K53 PolarHBondContact O-N 3.49Å; K50-K53 VanDerWaalsContact O-N 3.16Å; T51-K53 VanDerWaalsContact C-N 3.31Å; T51-K53 PolarHBondContact O-N 3.43Å; K53-A60 HydrophobicContact CB-CB 4.45Å; K53-A60 HydrophobicContact CG-CB 4.28Å
54E86.4Confident83.8Confident123 Ų12370.6 Ų70.658%0.57534%0.338SS*.Hα-helixtrans-74.6-40.1177-69.9166.6-179.600111.1K50 T51 L52K50-E54 WeakPolarHBondContact CE-OE1 3.37Å; K50-E54 WeakPolarHBondContact CG-OE1 3.37Å; K50-E54 WeakPolarHBondContact O-CG 3.42Å; K50-E54 PolarHBondContact O-N 2.76Å; K50-E54 VanDerWaalsContact O-N 3.08Å; T51-E54 WeakPolarHBondContact O-CB 3.35Å; T51-E54 PolarHBondContact O-N 3.2Å; L52-E54 VanDerWaalsContact C-N 3.31Å; L52-E54 PolarHBondContact O-N 3.17Å
55T85.1Confident83.2Confident77 Ų7779.7 Ų79.747%0.47237%0.37SS..Hα-helixtrans-75.8-30.9-179.7-40.10000112.7T51 L52 P57T51-T55 PolarHBondContact O-N 3.38Å; T51-T55 PolarHBondContact O-OG1 3.1Å; L52-T55 PolarHBondContact O-N 3.19Å; T55-P57 VanDerWaalsContact C-CD 3.48Å; T55-P57 WeakPolarHBondContact O-CD 3.22Å
56F85.3Confident82.7Confident23 Ų2384.3 Ų84.310%0.10140%0.403CS..  trans-125.869.9-174.1-60.6-70.3000111.6L52 V58 E59 A60 L70 V114L52-F56 HydrophobicContact CD2-CD2 4.04Å; L52-F56 HydrophobicContact CD2-CE2 3.95Å; L52-F56 VanDerWaalsContact O-CB 3.32Å; L52-F56 WeakPolarHBondContact O-CB 3.29Å; L52-F56 WeakPolarHBondContact O-CD2 3.48Å; L52-F56 PolarHBondContact O-N 3.35Å; F56-V58 VanDerWaalsContact C-N 3.32Å; F56-V58 PolarHBondContact O-N 3.5Å; F56-E59 WeakPolarHBondContact CA-OE2 3.17Å; F56-E59 HydrophobicContact CB-CB 4.05Å; F56-E59 HydrophobicContact CB-CG 4.4Å; F56-E59 VanDerWaalsContact CB-OE2 3.3Å; F56-E59 WeakPolarHBondContact CB-OE2 3.47Å; F56-A60 WeakPolarHBondContact O-CB 3.38Å; F56-A60 PolarHBondContact O-N 2.85Å; F56-L70 HydrophobicContact CB-CD1 4.4Å; F56-V114 HydrophobicContact CD1-CG2 4.15Å; F56-V114 HydrophobicContact CD2-CG1 4.42Å; F56-V114 HydrophobicContact CD2-CG2 4.14Å; F56-V114 HydrophobicContact CE1-CG2 4.32Å; F56-V114 HydrophobicContact CE2-CG1 4.34Å; F56-V114 HydrophobicContact CE2-CG2 4.31Å; F56-V114 HydrophobicContact CG-CG2 4.07Å; F56-V114 HydrophobicContact CZ-CG2 4.42Å
57P82.8Confident82.3Confident49 Ų4980.2 Ų80.232%0.31839%0.391SS..THydrogen-bonded Turntrans-69.3-28.8-175.827.3-34.6000113.3T55 G61 L62T55-P57 VanDerWaalsContact C-CD 3.48Å; T55-P57 WeakPolarHBondContact O-CD 3.22Å; P57-G61 PolarHBondContact O-N 2.9Å; P57-L62 HydrophobicContact CB-CB 4.39Å; P57-L62 HydrophobicContact CB-CD1 4.09Å; P57-L62 WeakPolarHBondContact O-CB 3.49Å; P57-L62 PolarHBondContact O-N 2.97Å
58V82.1Confident82Confident63 Ų6379.4 Ų79.438%0.38239%0.388SS..THydrogen-bonded Turntrans-69.4-52.4177.2-173.30000109.4F56 A60 G61 L63 D67F56-V58 VanDerWaalsContact C-N 3.32Å; F56-V58 PolarHBondContact O-N 3.5Å; V58-A60 VanDerWaalsContact C-N 3.28Å; V58-A60 PolarHBondContact O-N 2.98Å; V58-G61 WeakPolarHBondContact O-CA 3.22Å; V58-G61 PolarHBondContact O-N 3.18Å; V58-L63 HydrophobicContact CG2-CD1 3.88Å; V58-D67 HydrophobicContact CG1-CB 4Å; V58-D67 WeakPolarHBondContact O-CB 3.42Å
59E82.5Confident81.7Confident36 Ų3682.2 Ų82.217%0.16841%0.406CS..THydrogen-bonded Turntrans-69.6-26.6-178.4-59.687.7158.400112.4F56 G61 D67 R68 V69 L70 V114F56-E59 WeakPolarHBondContact CA-OE2 3.17Å; F56-E59 HydrophobicContact CB-CB 4.05Å; F56-E59 HydrophobicContact CB-CG 4.4Å; F56-E59 VanDerWaalsContact CB-OE2 3.3Å; F56-E59 WeakPolarHBondContact CB-OE2 3.47Å; E59-G61 PolarHBondContact O-N 2.75Å; E59-D67 WeakPolarHBondContact CA-O 3.34Å; E59-R68 WeakPolarHBondContact O-CA 3Å; E59-V69 HydrophobicContact CB-CG2 3.53Å; E59-V69 HydrophobicContact CG-CG2 3.9Å; E59-V69 PolarHBondContact O-N 3.45Å; E59-L70 HydrophobicContact CB-CG 4.1Å; E59-L70 PolarHBondContact O-N 3.1Å; E59-V114 HydrophobicContact CG-CG2 4.37Å
60A77.6Confident81.5Confident15 Ų1580 Ų8012%0.12440%0.397CS..THydrogen-bonded Turntrans-70-12.4169.100000113K53 F56 V58 L62 L70K53-A60 HydrophobicContact CB-CB 4.45Å; K53-A60 HydrophobicContact CG-CB 4.28Å; F56-A60 WeakPolarHBondContact O-CB 3.38Å; F56-A60 PolarHBondContact O-N 2.85Å; V58-A60 VanDerWaalsContact C-N 3.28Å; V58-A60 PolarHBondContact O-N 2.98Å; A60-L62 VanDerWaalsContact C-N 3.26Å; A60-L62 HydrophobicContact CB-CD1 4.21Å; A60-L62 HydrophobicContact CB-CG 4.06Å; A60-L62 PolarHBondContact O-N 3.38Å; A60-L70 HydrophobicContact CB-CD1 3.9Å
61G78.6Confident81.1Confident17 Ų1774.7 Ų74.718%0.17538%0.376CS..THydrogen-bonded Turntrans6528.2-172.900000113.4P57 V58 E59 L63 R64P57-G61 PolarHBondContact O-N 2.9Å; V58-G61 WeakPolarHBondContact O-CA 3.22Å; V58-G61 PolarHBondContact O-N 3.18Å; E59-G61 PolarHBondContact O-N 2.75Å; G61-L63 VanDerWaalsContact C-N 3.31Å; G61-R64 CarbonylContact C-O 3.51Å; G61-R64 WeakPolarHBondContact CA-O 3.13Å
62L78.1Confident80.5Confident109 Ų10978.3 Ų78.357%0.57139%0.386SS*.SBendtrans-70.9-31.8174.5-73.4168.7000111.1P57 A60P57-L62 HydrophobicContact CB-CB 4.39Å; P57-L62 HydrophobicContact CB-CD1 4.09Å; P57-L62 WeakPolarHBondContact O-CB 3.49Å; P57-L62 PolarHBondContact O-N 2.97Å; A60-L62 VanDerWaalsContact C-N 3.26Å; A60-L62 HydrophobicContact CB-CD1 4.21Å; A60-L62 HydrophobicContact CB-CG 4.06Å; A60-L62 PolarHBondContact O-N 3.38Å
63L76Confident79.6Confident126 Ų12679.1 Ų79.166%0.6639%0.391SS*.SBendtrans-86.5-47.6175.8-57.8-176.8000111.7V58 G61V58-L63 HydrophobicContact CG2-CD1 3.88Å; G61-L63 VanDerWaalsContact C-N 3.31Å
64R80.4Confident78.4Confident157 Ų15778.8 Ų78.859%0.59239%0.393SS*.  trans-140.5138.2179.9-56.8177.474.8-1676110.9G61 S66 D67G61-R64 CarbonylContact C-O 3.51Å; G61-R64 WeakPolarHBondContact CA-O 3.13Å; R64-S66 PolarHBondContact O-N 2.8Å; R64-D67 WeakPolarHBondContact CB-OD2 3.46Å; R64-D67 WeakPolarHBondContact CD-OD2 3.44Å; R64-D67 PolarHBondContact O-N 3.23Å
65R75.6Confident76.9Confident234 Ų23474.9 Ų74.988%0.88339%0.386SS*.G310 helixtrans-64.8-28.5179.3-65.7-174.9-177.3179.32.7113D67 R68R65-D67 VanDerWaalsContact C-N 3.31Å; R65-R68 VanDerWaalsContact O-CB 3.26Å; R65-R68 WeakPolarHBondContact O-CB 3.22Å; R65-R68 PolarHBondContact O-N 3.35Å
66S75.6Confident75.1Confident99 Ų9976.1 Ų76.169%0.69239%0.386SS*.G310 helixtrans-67.9-30.1179.5-33.50000112.9R64 R68R64-S66 PolarHBondContact O-N 2.8Å; S66-R68 PolarHBondContact O-N 3.28Å
67D77.1Confident73.1Confident51 Ų5178.9 Ų78.927%0.27341%0.414SS..G310 helixtrans-88.33.8-176.6-56-23.1000111.7V58 E59 R64 R65 V69V58-D67 HydrophobicContact CG1-CB 4Å; V58-D67 WeakPolarHBondContact O-CB 3.42Å; E59-D67 WeakPolarHBondContact CA-O 3.34Å; R64-D67 WeakPolarHBondContact CB-OD2 3.46Å; R64-D67 WeakPolarHBondContact CD-OD2 3.44Å; R64-D67 PolarHBondContact O-N 3.23Å; R65-D67 VanDerWaalsContact C-N 3.31Å; D67-V69 PolarHBondContact O-N 2.8Å
68R80.4Confident71.4Confident127 Ų12779.1 Ų79.148%0.47942%0.416SS..  trans-72.592.3-178.8-171.3-153.1-176.6126.721.6110.8E59 R65 S66E59-R68 WeakPolarHBondContact O-CA 3Å; R65-R68 VanDerWaalsContact O-CB 3.26Å; R65-R68 WeakPolarHBondContact O-CB 3.22Å; R65-R68 PolarHBondContact O-N 3.35Å; S66-R68 PolarHBondContact O-N 3.28Å
69V81.3Confident69.7Low69 Ų6976.5 Ų76.542%0.41840%0.4SS..  trans-101.3-25.4175.5-59.50000111.6E59 D67 T110E59-V69 HydrophobicContact CB-CG2 3.53Å; E59-V69 HydrophobicContact CG-CG2 3.9Å; E59-V69 PolarHBondContact O-N 3.45Å; D67-V69 PolarHBondContact O-N 2.8Å; V69-T110 HydrophobicContact CB-CG2 3.42Å; V69-T110 VanDerWaalsContact CB-CG2 3.42Å; V69-T110 HydrophobicContact CG2-CG2 3.52Å; V69-T110 WeakPolarHBondContact O-CG2 3.39Å
70L81.3Confident68Low17 Ų1780.8 Ų80.89%0.08942%0.424CS..SBendtrans-63.5126.2-178.4-72.6-177.7000112.7F56 E59 A60 L107 V114F56-L70 HydrophobicContact CB-CD1 4.4Å; E59-L70 HydrophobicContact CB-CG 4.1Å; E59-L70 PolarHBondContact O-N 3.1Å; A60-L70 HydrophobicContact CB-CD1 3.9Å; L70-L107 HydrophobicContact CD2-CD1 4Å; L70-V114 HydrophobicContact CD2-CG1 3.97Å; L70-V114 HydrophobicContact CD2-CG2 4.27Å
71P78.3Confident66.3Low21 Ų2182.1 Ų82.114%0.13644%0.435CS..PPolyproline II helixtrans-63.7143.5-179.321-29.1000111.4L73 Y103 R106 L107P71-L73 PolarHBondContact O-N 3.48Å; P71-Y103 HydrophobicContact CB-CD2 4.07Å; P71-Y103 HydrophobicContact CB-CE2 4.11Å; P71-Y103 HydrophobicContact CG-CD2 4.03Å; P71-Y103 HydrophobicContact CG-CE2 3.81Å; P71-Y103 WeakPolarHBondContact O-CE2 3.21Å; P71-R106 HydrophobicContact CB-CB 4.02Å; P71-R106 HydrophobicContact CG-CB 4.02Å; P71-L107 HydrophobicContact CG-CB 4.21Å; P71-L107 HydrophobicContact CG-CD1 4.42Å
72K74.4Confident64.7Low135 Ų13586.9 Ų86.959%0.58746%0.463SS*.PPolyproline II helixtrans-73.9119.1169.4-68.8173.2-173.8173.30107.6L74K72-L74 PolarHBondContact O-N 3.03Å
73L68.1Low63.1Low18 Ų1890 Ų909%0.09448%0.479CS..  trans-58.3105.3160-172.276.2000106.5W42 R46 K49 P71 G75 L100 Y103W42-L73 HydrophobicContact CZ2-CD2 4.33Å; R46-L73 HydrophobicContact CG-CD2 4.27Å; K49-L73 HydrophobicContact CD-CB 3.66Å; K49-L73 HydrophobicContact CD-CD2 4.22Å; P71-L73 PolarHBondContact O-N 3.48Å; L73-G75 PolarHBondContact O-N 3.49Å; L73-L100 HydrophobicContact CD1-CD2 3.86Å; L73-Y103 HydrophobicContact CB-CD2 4.28Å; L73-Y103 HydrophobicContact CB-CE2 4.11Å; L73-Y103 HydrophobicContact CD1-CD1 3.83Å; L73-Y103 HydrophobicContact CD1-CD2 4.06Å; L73-Y103 HydrophobicContact CD1-CE1 4.13Å; L73-Y103 HydrophobicContact CD1-CE2 4.36Å; L73-Y103 HydrophobicContact CD1-CG 3.79Å
74L60Low61.8Low88 Ų8885.6 Ų85.646%0.46146%0.456SS..  trans-52.7115178.9-82.2161000106.9K72 L99K72-L74 PolarHBondContact O-N 3.03Å; L74-L99 HydrophobicContact CB-CD2 4.3Å; L74-L99 HydrophobicContact CD1-CD2 3.63Å
75G53.6Low60.1Low41 Ų4181.8 Ų81.842%0.42346%0.459SS..  trans-68.9167.4-17200000111.5L73 A77 S78L73-G75 PolarHBondContact O-N 3.49Å; G75-A77 PolarHBondContact O-N 3.12Å; G75-S78 PolarHBondContact O-N 3.5Å
76Q48.2Very low58.6Low103 Ų10380 Ų8048%0.48146%0.46SS..G310 helixtrans-39.5-37.7173.5-147.499.3-12.200113.1S78 L79Q76-S78 PolarHBondContact O-N 3.22Å; Q76-L79 WeakPolarHBondContact O-CB 3.23Å; Q76-L79 PolarHBondContact O-N 3.48Å; Q76-L79 VanDerWaalsContact O-N 3.15Å
77A42.9Very low57.5Low82 Ų8276.2 Ų76.268%0.67844%0.436SS*.G310 helixtrans-65.6-25.3-179.200000115.7G75 L79 D80G75-A77 PolarHBondContact O-N 3.12Å; A77-L79 VanDerWaalsContact C-N 3.35Å; A77-D80 PolarHBondContact O-N 3.38Å
78S46.3Very low56.8Low54 Ų5476.1 Ų76.138%0.37845%0.447SS..G310 helixtrans-79.9-20.5175176.90000112.4G75 Q76 A81G75-S78 PolarHBondContact O-N 3.5Å; Q76-S78 PolarHBondContact O-N 3.22Å; S78-A81 WeakPolarHBondContact O-CB 3.08Å
79L47.9Very low56Low8 Ų878.8 Ų78.84%0.04246%0.457CS..THydrogen-bonded Turntrans-79.6-9.8171-79.9142.1000112W42 Q76 A77 A81 L84 A95 R96 L99W42-L79 HydrophobicContact CH2-CD1 4.42Å; Q76-L79 WeakPolarHBondContact O-CB 3.23Å; Q76-L79 PolarHBondContact O-N 3.48Å; Q76-L79 VanDerWaalsContact O-N 3.15Å; A77-L79 VanDerWaalsContact C-N 3.35Å; L79-A81 VanDerWaalsContact C-N 3.31Å; L79-L84 HydrophobicContact CB-CD1 4.24Å; L79-L84 HydrophobicContact CD2-CD1 3.81Å; L79-L84 WeakPolarHBondContact O-CD1 3.4Å; L79-A95 HydrophobicContact CD2-CB 3.88Å; L79-R96 HydrophobicContact CD1-CG 3.64Å; L79-R96 HydrophobicContact CD2-CG 3.69Å; L79-R96 HydrophobicContact CG-CG 4.33Å; L79-L99 HydrophobicContact CD1-CD1 3.8Å; L79-L99 HydrophobicContact CD2-CD1 3.69Å; L79-L99 HydrophobicContact CG-CD1 3.51Å
80D45.3Very low55.2Low126 Ų12678 Ų7867%0.67445%0.453SS*.THydrogen-bonded Turntrans-92.45.8175.3-59.2-37.2000111.8A77A77-D80 PolarHBondContact O-N 3.38Å
81A43.9Very low54.5Low43 Ų4379.2 Ų79.236%0.35546%0.462SS..SBendtrans-67.6154.3173.600000112S78 L79 L83 L84S78-A81 WeakPolarHBondContact O-CB 3.08Å; L79-A81 VanDerWaalsContact C-N 3.31Å; A81-L83 PolarHBondContact O-N 3.01Å; A81-L84 PolarHBondContact O-N 3.25Å; A81-L84 VanDerWaalsContact O-N 3.13Å
82P43.5Very low54.1Low117 Ų11783.4 Ų83.476%0.7648%0.475SS*.G310 helixtrans-60-15-162.7-22.532.1000116.4L84 A85P82-L84 PolarHBondContact O-N 3.48Å; P82-L84 VanDerWaalsContact O-N 3.12Å; P82-A85 WeakPolarHBondContact O-CB 3.31Å; P82-A85 PolarHBondContact O-N 3.12Å
83L44.6Very low53.8Low174 Ų17477 Ų7791%0.91145%0.448SS*.G310 helixtrans-63.1-13.3175.4-62.1178.6000113.6A81A81-L83 PolarHBondContact O-N 3.01Å
84L49.8Very low54.1Low33 Ų3378.3 Ų78.317%0.17345%0.454CS..G310 helixtrans-1144.6-178.8-72.7167000114.2L79 A81 P82 H86 G87 R92 A95L79-L84 HydrophobicContact CB-CD1 4.24Å; L79-L84 HydrophobicContact CD2-CD1 3.81Å; L79-L84 WeakPolarHBondContact O-CD1 3.4Å; A81-L84 PolarHBondContact O-N 3.25Å; A81-L84 VanDerWaalsContact O-N 3.13Å; P82-L84 PolarHBondContact O-N 3.48Å; P82-L84 VanDerWaalsContact O-N 3.12Å; L84-H86 PolarHBondContact O-N 3.37Å; L84-H86 VanDerWaalsContact O-N 3.1Å; L84-G87 PolarHBondContact O-N 2.79Å; L84-G87 VanDerWaalsContact O-N 3.14Å; L84-R92 HydrophobicContact CD2-CG 4.16Å; L84-A95 HydrophobicContact CD1-CB 3.92Å; L84-A95 HydrophobicContact CD2-CB 4.01Å
85A43.8Very low54.5Low78 Ų7875 Ų7565%0.64544%0.44SS*.THydrogen-bonded Turntrans-62.9-20.1-174.800000114.5P82P82-A85 WeakPolarHBondContact O-CB 3.31Å; P82-A85 PolarHBondContact O-N 3.12Å
86H45.2Very low55.6Low197 Ų19775.6 Ų75.691%0.91243%0.429SS*.THydrogen-bonded Turntrans-115.212.3178.8-72.974.2000113.6L84L84-H86 PolarHBondContact O-N 3.37Å; L84-H86 VanDerWaalsContact O-N 3.1Å
87G50.9Low57.1Low19 Ų1970.8 Ų70.820%0.19641%0.407CS..  trans-99.5122.8-168.500000116L84 S91 R92L84-G87 PolarHBondContact O-N 2.79Å; L84-G87 VanDerWaalsContact O-N 3.14Å; G87-S91 WeakPolarHBondContact CA-OG 3.06Å; G87-R92 PolarHBondContact O-NE 3.04Å
88G62.3Low58.7Low48 Ų4872 Ų7250%0.49540%0.398SS..  trans-58.5173171.100000114.3T90 S91 R92G88-T90 PolarHBondContact O-N 3.42Å; G88-S91 PolarHBondContact N-OG 3.11Å; G88-S91 PolarHBondContact O-N 3.05Å; G88-S91 VanDerWaalsContact O-N 3.11Å; G88-S91 PolarHBondContact O-OG 3.41Å; G88-R92 PolarHBondContact O-N 3.34Å
89R64.4Low60.4Low184 Ų18471.3 Ų71.369%0.69439%0.391SS*.Hα-helixtrans-55-27.1-177.4-68.2-176.8-173170.83.3114.1Q22 G93Q22-R89 PolarHBondContact NE2-O 3.08Å; R89-G93 PolarHBondContact O-N 2.78Å
90T65.3Low62.1Low53 Ų5371 Ų7133%0.32539%0.389SS..Hα-helixtrans-71.9-45.6177.5-61.60000113G88 R92 G93 L94 I142G88-T90 PolarHBondContact O-N 3.42Å; T90-R92 VanDerWaalsContact C-N 3.33Å; T90-R92 PolarHBondContact O-N 3.01Å; T90-G93 CarbonylContact O-C 3.55Å; T90-G93 WeakPolarHBondContact O-CA 3.18Å; T90-G93 PolarHBondContact O-N 3.21Å; T90-L94 HydrophobicContact CG2-CD1 4.42Å; T90-L94 PolarHBondContact O-N 3.24Å; T90-I142 HydrophobicContact CG2-CD1 3.68Å; T90-I142 HydrophobicContact CG2-CG2 4.06Å
91S66.1Low63.9Low41 Ų4166.3 Ų66.329%0.28736%0.363SS..Hα-helixtrans-67.7-36.7-17960.50000111.4G87 G88 G93 L94 A95G87-S91 WeakPolarHBondContact CA-OG 3.06Å; G88-S91 PolarHBondContact N-OG 3.11Å; G88-S91 PolarHBondContact O-N 3.05Å; G88-S91 VanDerWaalsContact O-N 3.11Å; G88-S91 PolarHBondContact O-OG 3.41Å; S91-G93 VanDerWaalsContact C-N 3.27Å; S91-G93 PolarHBondContact O-N 3.05Å; S91-L94 PolarHBondContact O-N 3.48Å; S91-A95 WeakPolarHBondContact O-CB 3.43Å; S91-A95 PolarHBondContact O-N 2.86Å
92R70.6Confident65.7Low110 Ų11067 Ų6742%0.41536%0.363SS..Hα-helixtrans-61-35.8168.8-76.1-176.8-96.7174.1-11.6112.5L84 G87 G88 T90 R96L84-R92 HydrophobicContact CD2-CG 4.16Å; G87-R92 PolarHBondContact O-NE 3.04Å; G88-R92 PolarHBondContact O-N 3.34Å; T90-R92 VanDerWaalsContact C-N 3.33Å; T90-R92 PolarHBondContact O-N 3.01Å; R92-R96 WeakPolarHBondContact O-CB 3.11Å; R92-R96 VanDerWaalsContact O-CG 3.23Å; R92-R96 WeakPolarHBondContact O-CG 3.15Å; R92-R96 PolarHBondContact O-N 2.87Å
93G67.9Low67.7Low0 Ų062 Ų620%033%0.329CS..Hα-helixtrans-65.8-45.2172.900000112.4F24 R89 T90 S91 R96 L97F24-G93 WeakPolarHBondContact CE1-O 3.27Å; R89-G93 PolarHBondContact O-N 2.78Å; T90-G93 CarbonylContact O-C 3.55Å; T90-G93 WeakPolarHBondContact O-CA 3.18Å; T90-G93 PolarHBondContact O-N 3.21Å; S91-G93 VanDerWaalsContact C-N 3.27Å; S91-G93 PolarHBondContact O-N 3.05Å; G93-R96 WeakPolarHBondContact O-CB 3.34Å; G93-R96 PolarHBondContact O-N 3.12Å; G93-L97 PolarHBondContact O-N 2.89Å
94L72.9Confident69.6Low46 Ų4653.8 Ų53.824%0.24129%0.286CS..Hα-helixtrans-67.4-39.5177.7-70.1174.1000112.6L15 T90 S91 R96 L97 Q98 I142L15-L94 HydrophobicContact CB-CD2 4.03Å; L15-L94 HydrophobicContact CD2-CG 4.47Å; T90-L94 HydrophobicContact CG2-CD1 4.42Å; T90-L94 PolarHBondContact O-N 3.24Å; S91-L94 PolarHBondContact O-N 3.48Å; L94-R96 VanDerWaalsContact C-N 3.29Å; L94-R96 PolarHBondContact O-N 2.95Å; L94-L97 HydrophobicContact CD2-CD2 4.34Å; L94-L97 WeakPolarHBondContact O-CB 3.38Å; L94-L97 PolarHBondContact O-N 3.24Å; L94-L97 VanDerWaalsContact O-N 3.09Å; L94-Q98 PolarHBondContact O-N 3.31Å; L94-I142 HydrophobicContact CD1-CG2 4.08Å; L94-I142 HydrophobicContact CD2-CG2 4.16Å; L94-I142 HydrophobicContact CG-CG2 4.39Å
95A69.9Low71.3Confident19 Ų1957.6 Ų57.616%0.15730%0.298CS..Hα-helixtrans-61.4-39172.100000111.6L79 L84 S91 Q98 L99L79-A95 HydrophobicContact CD2-CB 3.88Å; L84-A95 HydrophobicContact CD1-CB 3.92Å; L84-A95 HydrophobicContact CD2-CB 4.01Å; S91-A95 WeakPolarHBondContact O-CB 3.43Å; S91-A95 PolarHBondContact O-N 2.86Å; A95-Q98 PolarHBondContact O-N 2.82Å; A95-L99 VanDerWaalsContact O-CG 3.29Å; A95-L99 WeakPolarHBondContact O-CG 3.38Å; A95-L99 PolarHBondContact O-N 3.29Å
96R76.4Confident73.1Confident52 Ų5261.7 Ų61.720%0.19630%0.297CS..Hα-helixtrans-62.8-40.4171.7-76.4170-176.2163.1-1.1112.1F24 W42 L79 R92 G93 L94 L99 L100F24-R96 HydrophobicContact CE1-CB 3.84Å; F24-R96 HydrophobicContact CZ-CB 3.81Å; W42-R96 HydrophobicContact CE3-CG 4.44Å; W42-R96 HydrophobicContact CZ3-CB 4.29Å; W42-R96 HydrophobicContact CZ3-CG 4.15Å; L79-R96 HydrophobicContact CD1-CG 3.64Å; L79-R96 HydrophobicContact CD2-CG 3.69Å; L79-R96 HydrophobicContact CG-CG 4.33Å; R92-R96 WeakPolarHBondContact O-CB 3.11Å; R92-R96 VanDerWaalsContact O-CG 3.23Å; R92-R96 WeakPolarHBondContact O-CG 3.15Å; R92-R96 PolarHBondContact O-N 2.87Å; G93-R96 WeakPolarHBondContact O-CB 3.34Å; G93-R96 PolarHBondContact O-N 3.12Å; L94-R96 VanDerWaalsContact C-N 3.29Å; L94-R96 PolarHBondContact O-N 2.95Å; R96-L99 PolarHBondContact O-N 3.23Å; R96-L100 WeakPolarHBondContact O-CB 3.38Å; R96-L100 VanDerWaalsContact O-CG 3.26Å; R96-L100 WeakPolarHBondContact O-CG 3.43Å; R96-L100 PolarHBondContact O-N 3.46Å
97L79.3Confident75Confident3 Ų352.3 Ų52.32%0.01625%0.253CS..Hα-helixtrans-58.6-50.1176.8-178.767.3000111F24 F26 G93 L94 L99 L100 E101 P144F24-L97 HydrophobicContact CB-CD1 3.81Å; F24-L97 HydrophobicContact CD1-CB 4.01Å; F24-L97 HydrophobicContact CD1-CD1 4.07Å; F24-L97 HydrophobicContact CG-CD1 4.37Å; F26-L97 HydrophobicContact CE1-CD1 3.91Å; F26-L97 HydrophobicContact CZ-CD1 3.97Å; G93-L97 PolarHBondContact O-N 2.89Å; L94-L97 HydrophobicContact CD2-CD2 4.34Å; L94-L97 WeakPolarHBondContact O-CB 3.38Å; L94-L97 PolarHBondContact O-N 3.24Å; L94-L97 VanDerWaalsContact O-N 3.09Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 2.96Å; L97-L100 PolarHBondContact O-N 3.4Å; L97-E101 WeakPolarHBondContact O-CB 3.26Å; L97-E101 PolarHBondContact O-N 2.9Å; L97-P144 HydrophobicContact CD2-CG 4.3Å
98Q77.5Confident76.7Confident106 Ų10652.5 Ų52.550%0.49525%0.25SC..Hα-helixtrans-62.2-38.4178.2-71.1-179.9-31.500112.7L94 A95 E101 T102L94-Q98 PolarHBondContact O-N 3.31Å; A95-Q98 PolarHBondContact O-N 2.82Å; Q98-E101 PolarHBondContact O-N 2.79Å; Q98-T102 WeakPolarHBondContact O-CB 3.17Å; Q98-T102 PolarHBondContact O-N 3.17Å; Q98-T102 PolarHBondContact O-OG1 3.22Å
99L81.1Confident77.7Confident41 Ų4154.5 Ų54.522%0.21526%0.261CS..Hα-helixtrans-65.7-42.7175-74.1171.8000112L74 L79 A95 R96 L97 E101 T102 Y103L74-L99 HydrophobicContact CB-CD2 4.3Å; L74-L99 HydrophobicContact CD1-CD2 3.63Å; L79-L99 HydrophobicContact CD1-CD1 3.8Å; L79-L99 HydrophobicContact CD2-CD1 3.69Å; L79-L99 HydrophobicContact CG-CD1 3.51Å; A95-L99 VanDerWaalsContact O-CG 3.29Å; A95-L99 WeakPolarHBondContact O-CG 3.38Å; A95-L99 PolarHBondContact O-N 3.29Å; R96-L99 PolarHBondContact O-N 3.23Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 2.96Å; L99-E101 VanDerWaalsContact C-N 3.34Å; L99-T102 PolarHBondContact O-N 2.77Å; L99-Y103 VanDerWaalsContact O-CB 3.26Å; L99-Y103 WeakPolarHBondContact O-CB 3.25Å; L99-Y103 PolarHBondContact O-N 3.37Å
100L84.3Confident78.4Confident0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-66.4-38.4177.3-71.8178.3000111.7F24 F26 W42 F45 L73 R96 L97 Y103 S104F24-L100 HydrophobicContact CB-CD1 4.36Å; F24-L100 HydrophobicContact CD1-CD1 4.45Å; F24-L100 HydrophobicContact CD2-CD1 3.57Å; F24-L100 HydrophobicContact CE2-CD1 3.93Å; F24-L100 HydrophobicContact CG-CD1 3.86Å; F26-L100 HydrophobicContact CE1-CB 3.99Å; F26-L100 HydrophobicContact CZ-CB 3.66Å; F26-L100 HydrophobicContact CZ-CD1 3.94Å; F26-L100 HydrophobicContact CZ-CG 4.47Å; W42-L100 HydrophobicContact CE3-CD1 3.96Å; W42-L100 HydrophobicContact CE3-CD2 3.91Å; W42-L100 HydrophobicContact CE3-CG 4.08Å; W42-L100 HydrophobicContact CZ3-CD1 4.24Å; W42-L100 HydrophobicContact CZ3-CD2 3.66Å; W42-L100 HydrophobicContact CZ3-CG 3.86Å; F45-L100 HydrophobicContact CB-CD2 3.97Å; F45-L100 HydrophobicContact CD1-CD2 3.83Å; F45-L100 HydrophobicContact CD2-CD1 3.92Å; F45-L100 HydrophobicContact CD2-CD2 3.96Å; F45-L100 HydrophobicContact CD2-CG 4.48Å; F45-L100 HydrophobicContact CE1-CD2 4.27Å; F45-L100 HydrophobicContact CE2-CD1 4.01Å; F45-L100 HydrophobicContact CE2-CD2 4.39Å; F45-L100 HydrophobicContact CG-CD1 4.47Å; F45-L100 HydrophobicContact CG-CD2 3.64Å; F45-L100 HydrophobicContact CZ-CB 4.41Å; L73-L100 HydrophobicContact CD1-CD2 3.86Å; R96-L100 WeakPolarHBondContact O-CB 3.38Å; R96-L100 VanDerWaalsContact O-CG 3.26Å; R96-L100 WeakPolarHBondContact O-CG 3.43Å; R96-L100 PolarHBondContact O-N 3.46Å; L97-L100 PolarHBondContact O-N 3.4Å; L100-Y103 WeakPolarHBondContact O-CB 3.4Å; L100-Y103 PolarHBondContact O-N 3.34Å; L100-S104 WeakPolarHBondContact O-CB 3.08Å; L100-S104 PolarHBondContact O-N 3.33Å; L100-S104 PolarHBondContact O-OG 3.04Å; L100-S104 VanDerWaalsContact O-OG 3.13Å
101E82.5Confident79Confident28 Ų2846.4 Ų46.413%0.13124%0.235CC..Hα-helixtrans-63.9-45.7173.2174.8177.1-157.400112.1Q11 G12 L97 Q98 L99 Y103 S104 R105Q11-E101 WeakPolarHBondContact CA-OE1 3.21Å; G12-E101 PolarHBondContact N-OE1 3.46Å; G12-E101 PolarHBondContact N-OE2 2.92Å; L97-E101 WeakPolarHBondContact O-CB 3.26Å; L97-E101 PolarHBondContact O-N 2.9Å; Q98-E101 PolarHBondContact O-N 2.79Å; L99-E101 VanDerWaalsContact C-N 3.34Å; E101-Y103 VanDerWaalsContact C-N 3.28Å; E101-Y103 PolarHBondContact O-N 2.64Å; E101-S104 WeakPolarHBondContact CA-OG 3.18Å; E101-S104 PolarHBondContact O-N 2.84Å; E101-S104 PolarHBondContact O-OG 3.2Å; E101-R105 WeakPolarHBondContact O-CB 3.25Å; E101-R105 WeakPolarHBondContact O-CG 3.4Å; E101-R105 PolarHBondContact O-N 3Å; E101-R105 IonicContact OE1-CZ 3.17Å; E101-R105 IonicContact OE1-NH1 3.49Å; E101-R105 PolarHBondContact OE1-NH1 3.5Å; E101-R105 IonicContact OE1-NH2 3.68Å; E101-R105 PolarHBondContact OE1-NH2 3.05Å
102T81.1Confident79.8Confident58 Ų5850.9 Ų50.936%0.35625%0.252SS..Hα-helixtrans-63.2-39.6175.3-570000110.9Q98 L99 R106Q98-T102 WeakPolarHBondContact O-CB 3.17Å; Q98-T102 PolarHBondContact O-N 3.17Å; Q98-T102 PolarHBondContact O-OG1 3.22Å; L99-T102 PolarHBondContact O-N 2.77Å; T102-R106 WeakPolarHBondContact O-CB 3.33Å; T102-R106 VanDerWaalsContact O-CG 3.31Å; T102-R106 WeakPolarHBondContact O-CG 3.25Å; T102-R106 PolarHBondContact O-N 3.3Å
103Y85.1Confident80.4Confident13 Ų1355.3 Ų55.35%0.05127%0.268CS..Hα-helixtrans-63.3-46.9176.1173.6-103000111.9F45 P71 L73 L99 L100 E101 R106 L107F45-Y103 HydrophobicContact CD1-CD1 4.12Å; F45-Y103 HydrophobicContact CD1-CE1 4.21Å; F45-Y103 HydrophobicContact CE1-CD1 4.36Å; P71-Y103 HydrophobicContact CB-CD2 4.07Å; P71-Y103 HydrophobicContact CB-CE2 4.11Å; P71-Y103 HydrophobicContact CG-CD2 4.03Å; P71-Y103 HydrophobicContact CG-CE2 3.81Å; P71-Y103 WeakPolarHBondContact O-CE2 3.21Å; L73-Y103 HydrophobicContact CB-CD2 4.28Å; L73-Y103 HydrophobicContact CB-CE2 4.11Å; L73-Y103 HydrophobicContact CD1-CD1 3.83Å; L73-Y103 HydrophobicContact CD1-CD2 4.06Å; L73-Y103 HydrophobicContact CD1-CE1 4.13Å; L73-Y103 HydrophobicContact CD1-CE2 4.36Å; L73-Y103 HydrophobicContact CD1-CG 3.79Å; L99-Y103 VanDerWaalsContact O-CB 3.26Å; L99-Y103 WeakPolarHBondContact O-CB 3.25Å; L99-Y103 PolarHBondContact O-N 3.37Å; L100-Y103 WeakPolarHBondContact O-CB 3.4Å; L100-Y103 PolarHBondContact O-N 3.34Å; E101-Y103 VanDerWaalsContact C-N 3.28Å; E101-Y103 PolarHBondContact O-N 2.64Å; Y103-R106 PolarHBondContact O-N 3.49Å; Y103-L107 HydrophobicContact CE1-CD2 4.15Å; Y103-L107 VanDerWaalsContact O-CB 3.28Å; Y103-L107 WeakPolarHBondContact O-CB 3.27Å; Y103-L107 PolarHBondContact O-N 3.18Å
104S85.9Confident81.1Confident1 Ų155.3 Ų55.31%0.00727%0.268CS..Hα-helixtrans-66.2-41.8179.557.40000111.8V10 L100 E101 R106 L107 L108V10-S104 WeakPolarHBondContact CG1-OG 3.39Å; L100-S104 WeakPolarHBondContact O-CB 3.08Å; L100-S104 PolarHBondContact O-N 3.33Å; L100-S104 PolarHBondContact O-OG 3.04Å; L100-S104 VanDerWaalsContact O-OG 3.13Å; E101-S104 WeakPolarHBondContact CA-OG 3.18Å; E101-S104 PolarHBondContact O-N 2.84Å; E101-S104 PolarHBondContact O-OG 3.2Å; S104-R106 PolarHBondContact O-N 2.76Å; S104-L107 WeakPolarHBondContact O-CB 3.39Å; S104-L107 PolarHBondContact O-N 3.19Å; S104-L108 WeakPolarHBondContact O-CG 3.35Å; S104-L108 PolarHBondContact O-N 2.88Å
105R84.6Confident81.6Confident113 Ų11353.5 Ų53.543%0.42626%0.26SS..Hα-helixtrans-58.7-48.1173.1-74.3-179.5-176.5138.5-2.5112.3E101 L107 L108 A109E101-R105 WeakPolarHBondContact O-CB 3.25Å; E101-R105 WeakPolarHBondContact O-CG 3.4Å; E101-R105 PolarHBondContact O-N 3Å; E101-R105 IonicContact OE1-CZ 3.17Å; E101-R105 IonicContact OE1-NH1 3.49Å; E101-R105 PolarHBondContact OE1-NH1 3.5Å; E101-R105 IonicContact OE1-NH2 3.68Å; E101-R105 PolarHBondContact OE1-NH2 3.05Å; R105-L107 VanDerWaalsContact C-N 3.28Å; R105-L107 PolarHBondContact O-N 2.7Å; R105-L108 PolarHBondContact O-N 2.95Å; R105-A109 WeakPolarHBondContact O-CB 3.25Å; R105-A109 PolarHBondContact O-N 3.48Å
106R83.1Confident82.4Confident163 Ų16358.7 Ų58.762%0.61528%0.276SS*.Hα-helixtrans-60.6-42176.5-74.2179.2-176.1-1342.9110.9P71 T102 Y103 S104 L108 A109 T110P71-R106 HydrophobicContact CB-CB 4.02Å; P71-R106 HydrophobicContact CG-CB 4.02Å; T102-R106 WeakPolarHBondContact O-CB 3.33Å; T102-R106 VanDerWaalsContact O-CG 3.31Å; T102-R106 WeakPolarHBondContact O-CG 3.25Å; T102-R106 PolarHBondContact O-N 3.3Å; Y103-R106 PolarHBondContact O-N 3.49Å; S104-R106 PolarHBondContact O-N 2.76Å; R106-L108 VanDerWaalsContact C-N 3.33Å; R106-L108 PolarHBondContact O-N 3.47Å; R106-A109 CarbonylContact O-C 3.56Å; R106-A109 PolarHBondContact O-N 2.85Å; R106-T110 WeakPolarHBondContact O-CB 3.47Å; R106-T110 PolarHBondContact O-N 3.13Å; R106-T110 PolarHBondContact O-OG1 3.19Å
107L85.1Confident83Confident1 Ų156.5 Ų56.51%0.00527%0.268CS..Hα-helixtrans-61.1-41.6-179.8-176.462.7000112.1L48 L52 L70 P71 Y103 S104 R105 V114 I120L48-L107 HydrophobicContact CD2-CD2 4.49Å; L52-L107 HydrophobicContact CD1-CD1 3.92Å; L52-L107 HydrophobicContact CD1-CD2 3.84Å; L52-L107 HydrophobicContact CD1-CG 4.48Å; L70-L107 HydrophobicContact CD2-CD1 4Å; P71-L107 HydrophobicContact CG-CB 4.21Å; P71-L107 HydrophobicContact CG-CD1 4.42Å; Y103-L107 HydrophobicContact CE1-CD2 4.15Å; Y103-L107 VanDerWaalsContact O-CB 3.28Å; Y103-L107 WeakPolarHBondContact O-CB 3.27Å; Y103-L107 PolarHBondContact O-N 3.18Å; S104-L107 WeakPolarHBondContact O-CB 3.39Å; S104-L107 PolarHBondContact O-N 3.19Å; R105-L107 VanDerWaalsContact C-N 3.28Å; R105-L107 PolarHBondContact O-N 2.7Å; L107-V114 HydrophobicContact CD1-CG1 3.9Å; L107-I120 HydrophobicContact CD2-CD1 3.45Å; L107-I120 VanDerWaalsContact CD2-CD1 3.45Å; L107-I120 HydrophobicContact CG-CD1 4.01Å
108L85.1Confident83.3Confident23 Ų2361.6 Ų61.612%0.1230%0.301CS..Hα-helixtrans-70.7-34.6175.3-63.7-179.6000112.7P7 V10 S104 R105 R106 T110 A115 I120P7-L108 HydrophobicContact CB-CD1 4.43Å; P7-L108 HydrophobicContact CB-CD2 4.42Å; P7-L108 HydrophobicContact CG-CD2 3.93Å; V10-L108 HydrophobicContact CB-CD1 4.46Å; V10-L108 HydrophobicContact CG2-CD1 3.71Å; S104-L108 WeakPolarHBondContact O-CG 3.35Å; S104-L108 PolarHBondContact O-N 2.88Å; R105-L108 PolarHBondContact O-N 2.95Å; R106-L108 VanDerWaalsContact C-N 3.33Å; R106-L108 PolarHBondContact O-N 3.47Å; L108-T110 VanDerWaalsContact C-N 3.34Å; L108-A115 HydrophobicContact CD2-CB 4.08Å; L108-I120 HydrophobicContact CD2-CG2 4.02Å
109A84.6Confident83.7Confident89 Ų8957.9 Ų57.974%0.73629%0.289SS*.Hα-helixtrans-80.2-10.2177.600000114.4R105 R106R105-A109 WeakPolarHBondContact O-CB 3.25Å; R105-A109 PolarHBondContact O-N 3.48Å; R106-A109 CarbonylContact O-C 3.56Å; R106-A109 PolarHBondContact O-N 2.85Å
110T79.2Confident84Confident41 Ų4156 Ų5625%0.25228%0.279SS..Hα-helixtrans-73.2-56.1-171.4-62.90000112.5V69 R106 L108V69-T110 HydrophobicContact CB-CG2 3.42Å; V69-T110 VanDerWaalsContact CB-CG2 3.42Å; V69-T110 HydrophobicContact CG2-CG2 3.52Å; V69-T110 WeakPolarHBondContact O-CG2 3.39Å; R106-T110 WeakPolarHBondContact O-CB 3.47Å; R106-T110 PolarHBondContact O-N 3.13Å; R106-T110 PolarHBondContact O-OG1 3.19Å; L108-T110 VanDerWaalsContact C-N 3.34Å
111A77.6Confident84.1Confident26 Ų2657.6 Ų57.622%0.21529%0.289CS..  trans-156.2129.4-174.700000109.4R113 V114 A115A111-R113 PolarHBondContact O-N 2.93Å; A111-V114 HydrophobicContact CB-CB 4.27Å; A111-V114 HydrophobicContact CB-CG2 3.94Å; A111-V114 PolarHBondContact O-N 3.19Å; A111-A115 PolarHBondContact O-N 3.21Å
112E82.4Confident84.3Confident136 Ų13658.4 Ų58.464%0.63631%0.305SS*.Hα-helixtrans-58.8-35.2-179.4-65.4-170.2178.900112.4V114 A115 R116E112-V114 VanDerWaalsContact C-N 3.28Å; E112-V114 PolarHBondContact O-N 2.8Å; E112-A115 PolarHBondContact O-N 3.47Å; E112-R116 WeakPolarHBondContact O-CB 3.28Å; E112-R116 WeakPolarHBondContact O-CG 3.46Å; E112-R116 PolarHBondContact O-N 3.17Å; E112-R116 IonicContact OE2-CZ 3.9Å; E112-R116 IonicContact OE2-NH2 3.84Å
113R82.9Confident84.6Confident202 Ų20256.8 Ų56.876%0.76229%0.293SS*.Hα-helixtrans-62.3-35.1176.2-65.4-177.672.3160.41.4112.5A111 S117A111-R113 PolarHBondContact O-N 2.93Å; R113-S117 PolarHBondContact O-N 2.99Å
114V83Confident84.7Confident0 Ų056.2 Ų56.20%029%0.29CS..Hα-helixtrans-77.4-46.3177.3178.80000109.7L52 F56 E59 L70 L107 A111 E112 R116 S117 I120L52-V114 HydrophobicContact CD2-CG1 4.16Å; F56-V114 HydrophobicContact CD1-CG2 4.15Å; F56-V114 HydrophobicContact CD2-CG1 4.42Å; F56-V114 HydrophobicContact CD2-CG2 4.14Å; F56-V114 HydrophobicContact CE1-CG2 4.32Å; F56-V114 HydrophobicContact CE2-CG1 4.34Å; F56-V114 HydrophobicContact CE2-CG2 4.31Å; F56-V114 HydrophobicContact CG-CG2 4.07Å; F56-V114 HydrophobicContact CZ-CG2 4.42Å; E59-V114 HydrophobicContact CG-CG2 4.37Å; L70-V114 HydrophobicContact CD2-CG1 3.97Å; L70-V114 HydrophobicContact CD2-CG2 4.27Å; L107-V114 HydrophobicContact CD1-CG1 3.9Å; A111-V114 HydrophobicContact CB-CB 4.27Å; A111-V114 HydrophobicContact CB-CG2 3.94Å; A111-V114 PolarHBondContact O-N 3.19Å; E112-V114 VanDerWaalsContact C-N 3.28Å; E112-V114 PolarHBondContact O-N 2.8Å; V114-R116 VanDerWaalsContact C-N 3.33Å; V114-R116 PolarHBondContact O-N 2.97Å; V114-S117 WeakPolarHBondContact O-CB 3.39Å; V114-S117 PolarHBondContact O-N 3.2Å; V114-S117 VanDerWaalsContact O-N 3.1Å; V114-S117 PolarHBondContact O-OG 2.55Å; V114-I120 WeakPolarHBondContact O-CG1 3.21Å
115A83.6Confident84.6Confident8 Ų857.8 Ų57.87%0.06630%0.303CS..Hα-helixtrans-62-37.5-179.500000113.1L108 A111 E112 S117 I120L108-A115 HydrophobicContact CD2-CB 4.08Å; A111-A115 PolarHBondContact O-N 3.21Å; E112-A115 PolarHBondContact O-N 3.47Å; A115-S117 VanDerWaalsContact C-N 3.31Å; A115-I120 WeakPolarHBondContact O-CG2 3.48Å
116R86.6Confident84.4Confident129 Ų12954 Ų5449%0.48729%0.293SS..THydrogen-bonded Turntrans-87.44.2177-62.2-176.8-177.91678.9113.7Y6 E112 V114Y6-R116 HydrophobicContact CD1-CG 4.14Å; Y6-R116 HydrophobicContact CD2-CG 4.31Å; Y6-R116 HydrophobicContact CG-CG 3.98Å; E112-R116 WeakPolarHBondContact O-CB 3.28Å; E112-R116 WeakPolarHBondContact O-CG 3.46Å; E112-R116 PolarHBondContact O-N 3.17Å; E112-R116 IonicContact OE2-CZ 3.9Å; E112-R116 IonicContact OE2-NH2 3.84Å; V114-R116 VanDerWaalsContact C-N 3.33Å; V114-R116 PolarHBondContact O-N 2.97Å
117S87.6Confident84.1Confident6 Ų649.5 Ų49.54%0.04228%0.279CS..SBendtrans-69.2147.7-177.7720000112R113 V114 A115 A119 I120 T121R113-S117 PolarHBondContact O-N 2.99Å; V114-S117 WeakPolarHBondContact O-CB 3.39Å; V114-S117 PolarHBondContact O-N 3.2Å; V114-S117 VanDerWaalsContact O-N 3.1Å; V114-S117 PolarHBondContact O-OG 2.55Å; A115-S117 VanDerWaalsContact C-N 3.31Å; S117-A119 PolarHBondContact O-N 2.85Å; S117-A119 VanDerWaalsContact O-N 3.14Å; S117-I120 PolarHBondContact O-N 2.95Å; S117-I120 WeakPolarHBondContact OG-CG1 3.37Å; S117-I120 PolarHBondContact OG-N 2.8Å; S117-T121 PolarHBondContact O-N 2.91Å; S117-T121 PolarHBondContact O-OG1 3.06Å
118P86.1Confident83.5Confident110 Ų11054 Ų5471%0.71431%0.309SS*.Hα-helixtrans-56.4-29.3175.2-26.134.7000113.8T121 G122P118-T121 VanDerWaalsContact CA-OG1 3.3Å; P118-T121 WeakPolarHBondContact CA-OG1 3.49Å; P118-T121 PolarHBondContact O-OG1 3.1Å; P118-G122 PolarHBondContact O-N 2.79Å
119A86.3Confident82.8Confident28 Ų2855.8 Ų55.823%0.23132%0.32CS..Hα-helixtrans-66.3-40.4177.400000112T51 L52 S117 F123T51-A119 HydrophobicContact CG2-CB 4.37Å; L52-A119 HydrophobicContact CD2-CB 4.29Å; S117-A119 PolarHBondContact O-N 2.85Å; S117-A119 VanDerWaalsContact O-N 3.14Å; A119-F123 VanDerWaalsContact O-CB 3.23Å; A119-F123 WeakPolarHBondContact O-CB 3.35Å; A119-F123 PolarHBondContact O-N 2.85Å; A119-F123 VanDerWaalsContact O-N 3.15Å
120I87.6Confident82.2Confident0 Ų051.9 Ų51.90%029%0.287CS..Hα-helixtrans-74.9-48.3177.2-66.8-59.8000110.8P7 L48 L52 L107 L108 V114 A115 S117 G122 F123 F124P7-I120 HydrophobicContact CG-CG2 3.63Å; L48-I120 HydrophobicContact CD1-CD1 4.36Å; L48-I120 HydrophobicContact CD2-CD1 4.34Å; L52-I120 HydrophobicContact CD1-CD1 3.83Å; L52-I120 HydrophobicContact CD2-CD1 3.82Å; L52-I120 HydrophobicContact CD2-CG1 4.04Å; L52-I120 HydrophobicContact CG-CD1 4.37Å; L107-I120 HydrophobicContact CD2-CD1 3.45Å; L107-I120 VanDerWaalsContact CD2-CD1 3.45Å; L107-I120 HydrophobicContact CG-CD1 4.01Å; L108-I120 HydrophobicContact CD2-CG2 4.02Å; V114-I120 WeakPolarHBondContact O-CG1 3.21Å; A115-I120 WeakPolarHBondContact O-CG2 3.48Å; S117-I120 PolarHBondContact O-N 2.95Å; S117-I120 WeakPolarHBondContact OG-CG1 3.37Å; S117-I120 PolarHBondContact OG-N 2.8Å; I120-G122 VanDerWaalsContact C-N 3.34Å; I120-G122 PolarHBondContact O-N 3.38Å; I120-F123 PolarHBondContact O-N 2.96Å; I120-F124 HydrophobicContact CG2-CD2 3.77Å; I120-F124 HydrophobicContact CG2-CE2 3.91Å; I120-F124 VanDerWaalsContact O-CD2 3.31Å; I120-F124 WeakPolarHBondContact O-CD2 3.32Å; I120-F124 PolarHBondContact O-N 3.48Å
121T86.8Confident81.6Confident35 Ų3551.1 Ų51.122%0.21528%0.282CS..Hα-helixtrans-62.6-41.9-179.256.60000111.4S117 P118 A125S117-T121 PolarHBondContact O-N 2.91Å; S117-T121 PolarHBondContact O-OG1 3.06Å; P118-T121 VanDerWaalsContact CA-OG1 3.3Å; P118-T121 WeakPolarHBondContact CA-OG1 3.49Å; P118-T121 PolarHBondContact O-OG1 3.1Å; T121-A125 WeakPolarHBondContact O-CB 3.18Å; T121-A125 PolarHBondContact O-N 2.88Å
122G85.2Confident80.7Confident45 Ų4553.7 Ų53.746%0.46429%0.289SS..Hα-helixtrans-66.7-34.5174.500000113.6P118 I120 A125P118-G122 PolarHBondContact O-N 2.79Å; I120-G122 VanDerWaalsContact C-N 3.34Å; I120-G122 PolarHBondContact O-N 3.38Å; G122-A125 WeakPolarHBondContact O-CB 3.13Å; G122-A125 PolarHBondContact O-N 2.97Å
123F88.5Confident79.2Confident24 Ų2450.9 Ų50.911%0.10528%0.283CS..Hα-helixtrans-68.6-42.2177.7179.8-92.7000112.9R40 E44 F45 L48 A119 I120 A125R40-F123 HydrophobicContact CB-CZ 4.1Å; R40-F123 HydrophobicContact CG-CE1 3.99Å; R40-F123 HydrophobicContact CG-CE2 4.44Å; R40-F123 HydrophobicContact CG-CZ 3.77Å; R40-F123 VanDerWaalsContact CZ-O 3.31Å; R40-F123 PolarHBondContact NE-O 2.85Å; R40-F123 PolarHBondContact NH2-O 3.15Å; E44-F123 HydrophobicContact CB-CE2 3.99Å; F45-F123 HydrophobicContact CD1-CE1 4.43Å; F45-F123 HydrophobicContact CD1-CZ 4.13Å; F45-F123 AromaticContact CD2-CZ 3.88Å; F45-F123 HydrophobicContact CD2-CZ 3.88Å; F45-F123 AromaticContact CE1-CE1 3.98Å; F45-F123 HydrophobicContact CE1-CE1 3.98Å; F45-F123 HydrophobicContact CE1-CZ 4.07Å; F45-F123 HydrophobicContact CE2-CE1 4.14Å; F45-F123 AromaticContact CE2-CZ 3.81Å; F45-F123 HydrophobicContact CE2-CZ 3.81Å; F45-F123 HydrophobicContact CG-CZ 4.04Å; F45-F123 AromaticContact CZ-CE1 3.82Å; F45-F123 HydrophobicContact CZ-CE1 3.82Å; F45-F123 AromaticContact CZ-CZ 3.92Å; F45-F123 HydrophobicContact CZ-CZ 3.92Å; L48-F123 HydrophobicContact CB-CD2 3.87Å; L48-F123 HydrophobicContact CB-CE2 3.88Å; L48-F123 HydrophobicContact CB-CG 4.5Å; L48-F123 HydrophobicContact CD1-CB 3.74Å; L48-F123 HydrophobicContact CD1-CD2 3.88Å; L48-F123 HydrophobicContact CD1-CG 3.85Å; L48-F123 HydrophobicContact CD2-CB 4.28Å; L48-F123 HydrophobicContact CD2-CD1 3.66Å; L48-F123 HydrophobicContact CD2-CD2 3.82Å; L48-F123 HydrophobicContact CD2-CE1 3.85Å; L48-F123 HydrophobicContact CD2-CE2 3.98Å; L48-F123 HydrophobicContact CD2-CG 3.64Å; L48-F123 HydrophobicContact CD2-CZ 4Å; L48-F123 HydrophobicContact CG-CD2 4.05Å; L48-F123 HydrophobicContact CG-CE2 4.38Å; L48-F123 HydrophobicContact CG-CG 4.19Å; A119-F123 VanDerWaalsContact O-CB 3.23Å; A119-F123 WeakPolarHBondContact O-CB 3.35Å; A119-F123 PolarHBondContact O-N 2.85Å; A119-F123 VanDerWaalsContact O-N 3.15Å; I120-F123 PolarHBondContact O-N 2.96Å; F123-A125 VanDerWaalsContact C-N 3.32Å
124F86.9Confident77.7Confident0 Ų044.6 Ų44.60%027%0.274CS..Hα-helixtrans-85.4-4.2178.2-69-67.7000113.4P7 V10 V28 W30 V38 I120P7-F124 HydrophobicContact CB-CD2 4.28Å; P7-F124 HydrophobicContact CG-CB 4.5Å; P7-F124 HydrophobicContact CG-CD2 3.87Å; P7-F124 HydrophobicContact CG-CG 4.48Å; V10-F124 HydrophobicContact CB-CE1 4.46Å; V10-F124 HydrophobicContact CG1-CE1 3.93Å; V10-F124 HydrophobicContact CG1-CZ 4.43Å; V10-F124 HydrophobicContact CG2-CD1 4.13Å; V10-F124 HydrophobicContact CG2-CE1 3.68Å; V10-F124 HydrophobicContact CG2-CE2 4.3Å; V10-F124 HydrophobicContact CG2-CZ 3.78Å; V28-F124 HydrophobicContact CG1-CB 4.14Å; V28-F124 HydrophobicContact CG1-CG 4.42Å; V28-F124 HydrophobicContact CG2-CB 4.23Å; V28-F124 HydrophobicContact CG2-CD1 3.62Å; V28-F124 HydrophobicContact CG2-CE1 4.4Å; V28-F124 HydrophobicContact CG2-CG 4.24Å; W30-F124 HydrophobicContact CH2-CB 4.31Å; W30-F124 HydrophobicContact CZ2-CB 4.46Å; W30-F124 VanDerWaalsContact CZ2-O 3.28Å; W30-F124 WeakPolarHBondContact CZ2-O 3.47Å; V38-F124 WeakPolarHBondContact CG1-O 3.41Å; V38-F124 HydrophobicContact CG2-CD1 4.41Å; I120-F124 HydrophobicContact CG2-CD2 3.77Å; I120-F124 HydrophobicContact CG2-CE2 3.91Å; I120-F124 VanDerWaalsContact O-CD2 3.31Å; I120-F124 WeakPolarHBondContact O-CD2 3.32Å; I120-F124 PolarHBondContact O-N 3.48Å
125A83.6Confident76.8Confident34 Ų3446.4 Ų46.428%0.28128%0.283SS..SBendtrans-61.9140.1173.700000111.2R40 T121 G122 F123 Q127R40-A125 PolarHBondContact NH2-O 3.1Å; T121-A125 WeakPolarHBondContact O-CB 3.18Å; T121-A125 PolarHBondContact O-N 2.88Å; G122-A125 WeakPolarHBondContact O-CB 3.13Å; G122-A125 PolarHBondContact O-N 2.97Å; F123-A125 VanDerWaalsContact C-N 3.32Å; A125-Q127 PolarHBondContact O-N 3.39Å
126P80.8Confident75.9Confident33 Ų3348.6 Ų48.621%0.21430%0.297CS..PPolyproline II helixtrans-59.4124.1178.2-25.236.2000111.5T36 L131T36-P126 HydrophobicContact CG2-CG 4.24Å; P126-L131 HydrophobicContact CB-CD2 4.37Å
127Q76.7Confident74.5Confident69 Ų6948.8 Ų48.832%0.32232%0.315SS..PPolyproline II helixtrans-90.8159.3174-73.7-178-15.500110.8A125 V129 D130 L131A125-Q127 PolarHBondContact O-N 3.39Å; Q127-V129 HydrophobicContact CB-CG1 3.92Å; Q127-V129 PolarHBondContact O-N 3.5Å; Q127-V129 VanDerWaalsContact O-N 3.11Å; Q127-D130 WeakPolarHBondContact CB-OD2 3.39Å; Q127-D130 PolarHBondContact N-OD2 3.45Å; Q127-D130 WeakPolarHBondContact O-CB 3.38Å; Q127-D130 PolarHBondContact O-N 3.45Å; Q127-L131 PolarHBondContact O-N 3.4Å
128P71.9Confident73.2Confident97 Ų9751.7 Ų51.763%0.6335%0.345SS*.THydrogen-bonded Turntrans-54.6-34.6179.9-27.735.4000113.7L131P128-L131 PolarHBondContact O-N 3.03Å
129V70.3Confident72.2Confident59 Ų5947.7 Ų47.736%0.35832%0.32SS..THydrogen-bonded Turntrans-61.8-41.8174.368.40000110.5R39 Q127 L131 E132R39-V129 VanDerWaalsContact CZ-O 3.24Å; R39-V129 VanDerWaalsContact NH2-C 3.31Å; R39-V129 PolarHBondContact NH2-O 3.31Å; Q127-V129 HydrophobicContact CB-CG1 3.92Å; Q127-V129 PolarHBondContact O-N 3.5Å; Q127-V129 VanDerWaalsContact O-N 3.11Å; V129-L131 PolarHBondContact O-N 2.8Å; V129-E132 WeakPolarHBondContact O-CB 3.35Å; V129-E132 PolarHBondContact O-N 3.27Å; V129-E132 VanDerWaalsContact O-N 3.16Å
130D73.7Confident71.2Confident8 Ų854.7 Ų54.74%0.04334%0.341CS..THydrogen-bonded Turntrans-65.3-26.3-177.8-56.9-34.8000113.1R39 R40 Q127R39-D130 WeakPolarHBondContact CA-OD1 3.4Å; R39-D130 WeakPolarHBondContact CB-OD1 3.44Å; R39-D130 WeakPolarHBondContact CG-OD1 3.47Å; R39-D130 PolarHBondContact N-OD1 3.03Å; R39-D130 IonicContact NE-OD1 2.6Å; R40-D130 IonicContact CZ-OD2 3.69Å; R40-D130 IonicContact NH1-OD1 3.26Å; R40-D130 IonicContact NH1-OD2 3.83Å; R40-D130 PolarHBondContact NH1-OD2 3.16Å; R40-D130 IonicContact NH2-OD2 3.25Å; Q127-D130 WeakPolarHBondContact CB-OD2 3.39Å; Q127-D130 PolarHBondContact N-OD2 3.45Å; Q127-D130 WeakPolarHBondContact O-CB 3.38Å; Q127-D130 PolarHBondContact O-N 3.45Å
131L65.3Low70.4Confident25 Ų2557.4 Ų57.413%0.13136%0.357CS..THydrogen-bonded Turntrans-91.23.8-178.3-60.6175.6000113.1P126 Q127 P128 V129 C244P126-L131 HydrophobicContact CB-CD2 4.37Å; Q127-L131 PolarHBondContact O-N 3.4Å; P128-L131 PolarHBondContact O-N 3.03Å; V129-L131 PolarHBondContact O-N 2.8Å; L131-C244 HydrophobicContact CD2-CB 4.05Å
132E60Low69.6Low80 Ų8057.4 Ų57.437%0.37436%0.356SS..  trans-72.3125.1175.7-73.7-178.5164.400110.9R39 V129 A134R39-E132 IonicContact NH2-OE2 3.22Å; V129-E132 WeakPolarHBondContact O-CB 3.35Å; V129-E132 PolarHBondContact O-N 3.27Å; V129-E132 VanDerWaalsContact O-N 3.16Å; E132-A134 PolarHBondContact O-N 2.96Å
133P49.5Very low68.8Low77 Ų7759.4 Ų59.450%0.536%0.355SS..SBendtrans-69.9-23.4-176.426-33.2000113G296P133-G296 VanDerWaalsContact O-CA 3.25Å; P133-G296 WeakPolarHBondContact O-CA 3.47Å
134A52.5Low67.3Low69 Ų6960.5 Ų60.557%0.5737%0.365SS*.SBendtrans-125.3130.518000000110.2E132E132-A134 PolarHBondContact O-N 2.96Å
135L64.3Low65.4Low39 Ų3964.6 Ų64.620%0.20440%0.398CS..PPolyproline II helixtrans-70149.9167.3-80.3151.4000110V16 V141 L297V16-L135 HydrophobicContact CG1-CD1 4.49Å; V16-L135 HydrophobicContact CG1-CD2 3.47Å; V16-L135 VanDerWaalsContact CG1-CD2 3.47Å; L135-V141 HydrophobicContact CD1-CG2 3.28Å; L135-L297 HydrophobicContact CD1-CD1 4.15Å; L135-L297 HydrophobicContact CG-CD1 4.48Å
136P64.6Low63.8Low54 Ų5468.6 Ų68.635%0.35142%0.422SS..PPolyproline II helixtrans-52.5143.7174.6-26.734.2000112G138 S139P136-G138 PolarHBondContact O-N 3.34Å; P136-S139 VanDerWaalsContact O-CB 3.26Å; P136-S139 WeakPolarHBondContact O-CB 3.37Å; P136-S139 PolarHBondContact O-N 2.71Å; P136-S139 VanDerWaalsContact O-N 3.09Å; P136-S139 PolarHBondContact O-OG 3.5Å
137P56.2Low61.7Low132 Ų13275.4 Ų75.486%0.85745%0.451SS*.THydrogen-bonded Turntrans-53.3132.3179-2633.7000112.3
138G60.4Low59.7Low67 Ų6780.1 Ų80.169%0.69147%0.473SS*.THydrogen-bonded Turntrans86.48.8-17600000115.1P136P136-G138 PolarHBondContact O-N 3.34Å
139S66.1Low57.8Low27 Ų2780.4 Ų80.419%0.18948%0.475CS..EExtended strand (participates in β ladder)trans-76.7134.8170.8-57.20000111.2Q17 P136Q17-S139 CarbonylContact O-C 3.57Å; Q17-S139 VanDerWaalsContact O-CA 3.25Å; Q17-S139 WeakPolarHBondContact O-CA 3.3Å; P136-S139 VanDerWaalsContact O-CB 3.26Å; P136-S139 WeakPolarHBondContact O-CB 3.37Å; P136-S139 PolarHBondContact O-N 2.71Å; P136-S139 VanDerWaalsContact O-N 3.09Å; P136-S139 PolarHBondContact O-OG 3.5Å
140R63.7Low56.2Low174 Ų17484 Ų8466%0.65750%0.499SS*.EExtended strand (participates in β ladder)trans-110.8123.7175.4-60178.375.3173.93.7109.1Q17Q17-R140 HydrophobicContact CB-CB 4.43Å; Q17-R140 PolarHBondContact N-O 2.88Å; Q17-R140 PolarHBondContact O-N 3.02Å
141V71.1Confident54.3Low58 Ų5890.3 Ų90.335%0.35254%0.538SS..EExtended strand (participates in β ladder)trans-98.4124.4172.4-173.80000108A14 V16 L135 L143A14-V141 HydrophobicContact CB-CG1 3.75Å; V16-V141 HydrophobicContact CG2-CG2 4.42Å; L135-V141 HydrophobicContact CD1-CG2 3.28Å; V141-L143 HydrophobicContact CG1-CD2 4.06Å
142I70.8Confident52.8Low35 Ų3594.6 Ų94.618%0.17957%0.569CS.*EExtended strand (participates in β ladder)trans-117.1111.2-178-60.3154.1000106.1L15 T90 L94L15-I142 HydrophobicContact CB-CB 4.24Å; L15-I142 HydrophobicContact CD2-CD1 4.05Å; L15-I142 PolarHBondContact N-O 3.47Å; L15-I142 PolarHBondContact O-N 2.71Å; T90-I142 HydrophobicContact CG2-CD1 3.68Å; T90-I142 HydrophobicContact CG2-CG2 4.06Å; L94-I142 HydrophobicContact CD1-CG2 4.08Å; L94-I142 HydrophobicContact CD2-CG2 4.16Å; L94-I142 HydrophobicContact CG-CG2 4.39Å
143L68.4Low51.7Low86 Ų86103 Ų10345%0.4560%0.598SS.*PPolyproline II helixtrans-85.3134.7-179.9-58175.6000109.2A14 V141 A145 L301A14-L143 HydrophobicContact CB-CD2 3.72Å; V141-L143 HydrophobicContact CG1-CD2 4.06Å; L143-A145 PolarHBondContact O-N 3.3Å; L143-L301 HydrophobicContact CD2-CD2 3.29Å
144P56.8Low50.6Low47 Ų47104 Ų10431%0.30561%0.613SS.*PPolyproline II helixtrans-63132.1164.628.3-29.6000107.8A13 L97A13-P144 WeakPolarHBondContact O-CD 3.31Å; L97-P144 HydrophobicContact CD2-CG 4.3Å
145A47.8Very low49.7Very low86 Ų86105.7 Ų105.771%0.71163%0.627SS**PPolyproline II helixtrans-61138.6171.100000108.5L143 E147L143-A145 PolarHBondContact O-N 3.3Å; A145-E147 PolarHBondContact O-N 3.47Å; A145-E147 VanDerWaalsContact O-N 3.16Å
146P49.2Very low48.5Very low118 Ų118107.2 Ų107.277%0.76665%0.652SS**PPolyproline II helixtrans-57123.2172.122.2-29.2000108.4E148P146-E148 PolarHBondContact O-N 2.8Å
147E37.3Very low46.7Very low177 Ų177116 Ų11683%0.82768%0.678SS**  trans-73.592.7-177-162.7177.9-166.900108.4A145A145-E147 PolarHBondContact O-N 3.47Å; A145-E147 VanDerWaalsContact O-N 3.16Å
148E34.9Very low45.5Very low168 Ų168117.8 Ų117.879%0.78568%0.679SS**  trans-72.4135.5166.1-70-173.2164.800109.2P146P146-E148 PolarHBondContact O-N 2.8Å
149P30.1Very low43.9Very low103 Ų103119.4 Ų119.467%0.66968%0.68SS**  trans-62150.7-178.324.9-32.9000111.6V151P149-V151 PolarHBondContact O-N 3.34Å
150P37.3Very low42.3Very low134 Ų134125.2 Ų125.287%0.8771%0.708SS**  trans-74.6101.9-169.329.8-33.1000110.9
151V34.6Very low40.7Very low141 Ų141125.3 Ų125.386%0.85572%0.715SS**  trans-86.6130.3163.5-147.10000108.6P149P149-V151 PolarHBondContact O-N 3.34Å
152S32.7Very low38.7Very low114 Ų114127.2 Ų127.280%0.79773%0.731SS**  trans-41.3141.2-173-56.70000116.1A154S152-A154 PolarHBondContact O-N 2.76Å
153R36.5Very low37.1Very low257 Ų257131.4 Ų131.497%0.9775%0.753SS**  trans-43.1116.1170.6-83.2172.9150.5140.4-6.9112.5
154A28.1Very low35.8Very low98 Ų98135 Ų13581%0.8177%0.767SS**  trans-126.5138.7148.900000108.6S152S152-A154 PolarHBondContact O-N 2.76Å
155A33.3Very low35.2Very low105 Ų105136.1 Ų136.187%0.86877%0.774SS**  trans-60.3145.5-168.200000114.3
156G39.2Very low35.4Very low71 Ų71136.6 Ų136.673%0.73276%0.761SS**  trans57.493.5140.700000118
157R26.3Very low35.7Very low237 Ų237134.2 Ų134.289%0.89475%0.748SS**  trans-167.6137.6132.7-111.4163.4120.8-124.40.9110.1S159R157-S159 PolarHBondContact O-N 2.84Å
158L30.3Very low36.6Very low170 Ų170126.2 Ų126.289%0.8971%0.71SS**  trans-59.4105167.1-70.4154.6000108I160L158-I160 VanDerWaalsContact C-N 3.28Å; L158-I160 PolarHBondContact O-N 2.8Å
159S27.9Very low37.6Very low101 Ų101121 Ų12171%0.70668%0.684SS**  trans-79.983170.3-60.80000108.6R157 H161R157-S159 PolarHBondContact O-N 2.84Å; S159-H161 PolarHBondContact O-N 2.85Å
160I32.2Very low38.3Very low150 Ų150116.1 Ų116.177%0.76965%0.652SS**  trans-62.4113.8152.8-61.1169.9000104.4L158 S162L158-I160 VanDerWaalsContact C-N 3.28Å; L158-I160 PolarHBondContact O-N 2.8Å; I160-S162 PolarHBondContact O-N 2.87Å
161H30Very low38.7Very low176 Ų176113.2 Ų113.282%0.81563%0.628SS**  trans-58.7107167.5-62.7-68000106.7S159 L163S159-H161 PolarHBondContact O-N 2.85Å; H161-L163 PolarHBondContact O-N 2.83Å
162S30.2Very low39.2Very low98 Ų98111.7 Ų111.769%0.68561%0.612SS**  trans-49.6131.7168.5-170.70000107.1I160 E164I160-S162 PolarHBondContact O-N 2.87Å; S162-E164 PolarHBondContact O-N 3.33Å
163L36.4Very low39.8Very low122 Ų122110.5 Ų110.564%0.63960%0.601SS**  trans-48.9111.9154.2-97.377.8000105.3H161 T165 L195H161-L163 PolarHBondContact O-N 2.83Å; L163-T165 VanDerWaalsContact C-N 3.33Å; L163-T165 PolarHBondContact O-N 2.59Å; L163-L195 WeakPolarHBondContact CD2-O 3.48Å
164E41Very low40.5Very low161 Ų161100.7 Ų100.775%0.75257%0.566SS**  trans-67.9103.5163.9-73.6177.1169.100105.4S162 Q166S162-E164 PolarHBondContact O-N 3.33Å; E164-Q166 PolarHBondContact O-N 3.39Å
165T44Very low41.5Very low72 Ų72100 Ų10044%0.44255%0.554SS.*  trans-59.1104.5173.5-480000107.7L163 S167 D193 L195L163-T165 VanDerWaalsContact C-N 3.33Å; L163-T165 PolarHBondContact O-N 2.59Å; T165-S167 PolarHBondContact O-N 3.03Å; T165-D193 HydrophobicContact CG2-CB 3.28Å; T165-D193 WeakPolarHBondContact CG2-OD2 3.46Å; T165-L195 HydrophobicContact CG2-CD2 4.42Å
166Q52.6Low42.4Very low96 Ų9695.5 Ų95.545%0.44952%0.516SS..EExtended strand (participates in β ladder)trans-84.8106.9178.8-73-178.920.300108.4E164 V194E164-Q166 PolarHBondContact O-N 3.39Å; Q166-V194 PolarHBondContact O-N 3.48Å
167S54.6Low42.9Very low68 Ų6897.3 Ų97.348%0.47651%0.505SS..EExtended strand (participates in β ladder)trans-74.3120173.859.50000110.4T165 D193T165-S167 PolarHBondContact O-N 3.03Å; S167-D193 WeakPolarHBondContact CA-OD1 3.17Å; S167-D193 WeakPolarHBondContact CB-OD1 3.38Å
168L56.7Low44.1Very low9 Ų986.2 Ų86.25%0.04746%0.464CS..EExtended strand (participates in β ladder)trans-117137.2179.2-57.6-174.9000109.7L192 V194 W203 L220 E221 A222L168-L192 PolarHBondContact N-O 2.92Å; L168-L192 PolarHBondContact O-N 3.24Å; L168-V194 HydrophobicContact CB-CG2 4.4Å; L168-V194 HydrophobicContact CD1-CG2 3.32Å; L168-V194 HydrophobicContact CG-CG2 3.67Å; L168-W203 HydrophobicContact CD1-CE3 3.85Å; L168-W203 HydrophobicContact CD1-CZ3 3.43Å; L168-W203 VanDerWaalsContact CD1-CZ3 3.43Å; L168-L220 HydrophobicContact CB-CB 4Å; L168-L220 HydrophobicContact CB-CD2 4.42Å; L168-L220 HydrophobicContact CD1-CB 3.74Å; L168-L220 HydrophobicContact CD1-CD1 4.32Å; L168-E221 CarbonylContact C-O 3.51Å; L168-E221 WeakPolarHBondContact CA-O 3.36Å; L168-A222 HydrophobicContact CD2-CB 3.58Å
169R55.1Low45Very low59 Ų5981.6 Ų81.622%0.22344%0.443CS..EExtended strand (participates in β ladder)trans-80.8135.417559.5172.7177.2-117.3-2.8110.8E190 E221R169-E190 WeakPolarHBondContact CA-O 3.35Å; R169-E221 HydrophobicContact CG-CB 4.13Å; R169-E221 VanDerWaalsContact CG-O 3.24Å; R169-E221 WeakPolarHBondContact CG-O 3.47Å; R169-E221 IonicContact CZ-OE2 2.96Å; R169-E221 VanDerWaalsContact CZ-OE2 3.23Å; R169-E221 PolarHBondContact N-O 2.64Å; R169-E221 IonicContact NE-OE2 3.9Å; R169-E221 PolarHBondContact NE-OE2 3.09Å; R169-E221 IonicContact NH2-OE1 3.61Å; R169-E221 IonicContact NH2-OE2 2.73Å; R169-E221 PolarHBondContact NH2-OE2 3.14Å; R169-E221 PolarHBondContact O-N 3.31Å
170C45.6Very low45.8Very low0 Ų084.3 Ų84.30%044%0.438CS..EExtended strand (participates in β ladder)trans-73.8128.6174.1-173.80000110.6Q172 A186 R187 Q189 E190 L192 F215 Y219C170-Q172 PolarHBondContact SG-O 2.82Å; C170-A186 HydrophobicContact CB-CB 4.42Å; C170-R187 WeakPolarHBondContact CB-O 3.42Å; C170-Q189 WeakPolarHBondContact O-CA 3.27Å; C170-Q189 PolarHBondContact O-N 3.19Å; C170-E190 PolarHBondContact N-O 2.83Å; C170-L192 HydrophobicContact CB-CD1 4.26Å; C170-F215 WeakPolarHBondContact SG-CZ 3.37Å; C170-Y219 CarbonylContact C-O 3.5Å; C170-Y219 WeakPolarHBondContact CA-O 3.44Å
171L46.2Very low46.5Very low72 Ų7283.6 Ų83.638%0.37744%0.435SS..SBendtrans-81.3-29.9-177.7-71.3177.6000113.4Y219 E221L171-Y219 PolarHBondContact N-O 2.75Å; L171-E221 HydrophobicContact CD1-CB 4.05Å; L171-E221 HydrophobicContact CD2-CB 3.83Å; L171-E221 WeakPolarHBondContact CD2-OE2 3.03Å; L171-E221 HydrophobicContact CG-CB 3.9Å
172Q43.7Very low47.5Very low110 Ų11080.6 Ų80.651%0.51442%0.417SS..SBendtrans-145.5148.1-176.4-62.2-171.3-65.100110.7C170 F174 Y219C170-Q172 PolarHBondContact SG-O 2.82Å; Q172-F174 PolarHBondContact O-N 2.79Å; Q172-Y219 HydrophobicContact CB-CD1 4.07Å; Q172-Y219 HydrophobicContact CB-CE1 4.28Å
173P46.7Very low48.3Very low88 Ų8881.4 Ų81.457%0.57142%0.42SS*.  trans-65.6123.5-17828.8-31.8000110A186P173-A186 CarbonylContact C-O 3.59Å; P173-A186 WeakPolarHBondContact CA-O 3.42Å
174F49.8Very low49.2Very low52 Ų5275.6 Ų75.623%0.22839%0.389CS..EExtended strand (participates in β ladder)trans-134.9125.4-177.4-171.6-116.4000111Q172 T176 A186 F215 P216Q172-F174 PolarHBondContact O-N 2.79Å; F174-T176 HydrophobicContact CD1-CG2 3.23Å; F174-T176 HydrophobicContact CE1-CG2 2.98Å; F174-T176 HydrophobicContact CG-CG2 4.36Å; F174-T176 HydrophobicContact CZ-CG2 3.95Å; F174-A186 PolarHBondContact N-O 2.9Å; F174-A186 PolarHBondContact O-N 2.92Å; F174-F215 HydrophobicContact CB-CE2 3.75Å; F174-F215 HydrophobicContact CB-CZ 3.72Å; F174-F215 HydrophobicContact CD1-CD2 4.07Å; F174-F215 AromaticContact CD1-CE2 3.65Å; F174-F215 HydrophobicContact CD1-CE2 3.65Å; F174-F215 HydrophobicContact CD1-CZ 4.02Å; F174-F215 HydrophobicContact CG-CE2 4.19Å; F174-F215 HydrophobicContact CG-CZ 4.31Å; F174-P216 HydrophobicContact CD1-CG 3.81Å; F174-P216 HydrophobicContact CE1-CG 3.44Å; F174-P216 VanDerWaalsContact CE1-CG 3.44Å; F174-P216 HydrophobicContact CZ-CG 4.04Å
175C49.7Very low49.7Very low83 Ų8373.7 Ų73.756%0.56138%0.38SS*.EExtended strand (participates in β ladder)trans-97.9116.9-179.5-51.40000109.3F184C175-F184 CarbonylContact C-O 3.59Å; C175-F184 WeakPolarHBondContact CA-O 3.28Å
176T53.3Low50.1Low10 Ų1070.2 Ų70.26%0.06136%0.359CS..EExtended strand (participates in β ladder)trans-120.4-178.1171.969.90000110.9F174 F184 F215F174-T176 HydrophobicContact CD1-CG2 3.23Å; F174-T176 HydrophobicContact CE1-CG2 2.98Å; F174-T176 HydrophobicContact CG-CG2 4.36Å; F174-T176 HydrophobicContact CZ-CG2 3.95Å; T176-F184 PolarHBondContact N-O 3.47Å; T176-F184 PolarHBondContact O-N 3.39Å; T176-F184 VanDerWaalsContact O-O 3.07Å; T176-F215 HydrophobicContact CG2-CD2 4.4Å
177Q49.3Very low50.1Low109 Ų10974.2 Ų74.251%0.50937%0.37SS..EExtended strand (participates in β ladder)trans-109.8130.5170.4-65173.813.600107.5R182Q177-R182 WeakPolarHBondContact CA-O 3.47Å
178D51.9Low49.8Very low4 Ų473.3 Ų73.32%0.02137%0.367CS..BIsolated β-bridgetrans-60.1159.1173.7-177.5-35.3000109.8R180 N181 R182 F184 M212D178-R180 PolarHBondContact O-N 3.36Å; D178-R180 PolarHBondContact OD1-N 3.22Å; D178-N181 PolarHBondContact O-N 2.96Å; D178-R182 HydrophobicContact CB-CB 4.45Å; D178-R182 PolarHBondContact N-O 2.99Å; D178-F184 HydrophobicContact CB-CB 4.45Å; D178-M212 PolarHBondContact OD2-N 2.85Å
179T47.8Very low49.5Very low74 Ų7478.8 Ų78.845%0.45439%0.392SS..THydrogen-bonded Turntrans-47.9-15.7163.6610000115L204 M212T179-L204 HydrophobicContact CG2-CD1 3.89Å; T179-M212 WeakPolarHBondContact CG2-O 3.39Å; T179-M212 PolarHBondContact N-O 2.77Å; T179-M212 PolarHBondContact OG1-O 3.42Å
180R45.3Very low49.7Very low158 Ų15878 Ų7860%0.59639%0.391SS*.THydrogen-bonded Turntrans-103.216173.3-57.7-177-175.6134.21.4115D178 R182D178-R180 PolarHBondContact O-N 3.36Å; D178-R180 PolarHBondContact OD1-N 3.22Å; R180-R182 PolarHBondContact O-N 3.38Å; R180-R182 VanDerWaalsContact O-N 3.17Å
181N46.8Very low50.1Low135 Ų13580.8 Ų80.872%0.72241%0.41SS*.SBendtrans57.422.4-177-80.4-14.2000114.8D178D178-N181 PolarHBondContact O-N 2.96Å
182R50.8Low50.8Low112 Ų11277.3 Ų77.342%0.42339%0.392SS..  trans-89.2145.9171.9-65.3-167-62-1713.4109.9Q177 D178 R180 F184Q177-R182 WeakPolarHBondContact CA-O 3.47Å; D178-R182 HydrophobicContact CB-CB 4.45Å; D178-R182 PolarHBondContact N-O 2.99Å; R180-R182 PolarHBondContact O-N 3.38Å; R180-R182 VanDerWaalsContact O-N 3.17Å; R182-F184 PolarHBondContact O-N 3Å; R182-F184 VanDerWaalsContact O-N 3.16Å
183P47.7Very low51.4Low115 Ų11574.8 Ų74.875%0.74738%0.382SS*.EExtended strand (participates in β ladder)trans-63118.617426.8-32.5000108.7
184F54.2Low51.9Low1 Ų171 Ų710%0.00436%0.358CS..EExtended strand (participates in β ladder)trans-104.5117.1174-179.7-91.9000107.5C175 T176 D178 R182 A186 L192 V205 N207 Q211 A213 F215C175-F184 CarbonylContact C-O 3.59Å; C175-F184 WeakPolarHBondContact CA-O 3.28Å; T176-F184 PolarHBondContact N-O 3.47Å; T176-F184 PolarHBondContact O-N 3.39Å; T176-F184 VanDerWaalsContact O-O 3.07Å; D178-F184 HydrophobicContact CB-CB 4.45Å; R182-F184 PolarHBondContact O-N 3Å; R182-F184 VanDerWaalsContact O-N 3.16Å; F184-A186 HydrophobicContact CE1-CB 3.98Å; F184-L192 HydrophobicContact CZ-CD2 3.8Å; F184-V205 HydrophobicContact CE1-CG2 4.39Å; F184-V205 HydrophobicContact CZ-CG2 4.24Å; F184-N207 HydrophobicContact CE2-CB 3.66Å; F184-N207 HydrophobicContact CZ-CB 3.91Å; F184-Q211 HydrophobicContact CD2-CB 3.95Å; F184-Q211 HydrophobicContact CE2-CB 4.03Å; F184-A213 HydrophobicContact CB-CB 3.71Å; F184-A213 HydrophobicContact CD1-CB 3.45Å; F184-A213 VanDerWaalsContact CD1-CB 3.45Å; F184-A213 HydrophobicContact CD2-CB 3.63Å; F184-A213 HydrophobicContact CE1-CB 3.86Å; F184-A213 HydrophobicContact CE2-CB 4.01Å; F184-A213 HydrophobicContact CG-CB 3.3Å; F184-A213 HydrophobicContact CZ-CB 4.12Å; F184-F215 HydrophobicContact CE1-CD2 4.17Å
185Q52Low52.2Low120 Ų12070.6 Ų70.656%0.56136%0.358SS*.EExtended strand (participates in β ladder)trans-117.3104.9-179.6-176.8170.31600108.4
186A52.2Low52.2Low0 Ų070.6 Ų70.60%035%0.352CS..EExtended strand (participates in β ladder)trans-83.8125.3169.400000108.7C170 P173 F174 F184 E190 L192 F215C170-A186 HydrophobicContact CB-CB 4.42Å; P173-A186 CarbonylContact C-O 3.59Å; P173-A186 WeakPolarHBondContact CA-O 3.42Å; F174-A186 PolarHBondContact N-O 2.9Å; F174-A186 PolarHBondContact O-N 2.92Å; F184-A186 HydrophobicContact CE1-CB 3.98Å; A186-E190 VanDerWaalsContact CA-OE2 3.3Å; A186-E190 WeakPolarHBondContact CA-OE2 3.31Å; A186-L192 HydrophobicContact CB-CD1 3.81Å; A186-F215 HydrophobicContact CB-CD2 4.41Å; A186-F215 HydrophobicContact CB-CE2 3.55Å; A186-F215 HydrophobicContact CB-CZ 4.04Å
187R53.1Low52Low179 Ų17975.6 Ų75.668%0.67537%0.369SS*.PPolyproline II helixtrans-79.9154.8171.7-65.6179.6176.2160.30.8109.8C170 Q189 E190C170-R187 WeakPolarHBondContact CB-O 3.42Å; R187-Q189 PolarHBondContact O-N 2.97Å; R187-E190 HydrophobicContact CB-CB 4.45Å; R187-E190 PolarHBondContact N-OE2 2.73Å; R187-E190 VanDerWaalsContact O-CB 3.31Å; R187-E190 WeakPolarHBondContact O-CB 3.39Å; R187-E190 PolarHBondContact O-N 3.44Å
188A47.4Very low51.5Low49 Ų4974 Ų7441%0.40536%0.362SS..THydrogen-bonded Turntrans-60.1134.5169.200000109.5
189Q50.2Low50.6Low125 Ų12580.1 Ų80.158%0.58440%0.401SS*.THydrogen-bonded Turntrans749.1-174-54.9-68.9-55.800116.3C170 R187C170-Q189 WeakPolarHBondContact O-CA 3.27Å; C170-Q189 PolarHBondContact O-N 3.19Å; R187-Q189 PolarHBondContact O-N 2.97Å
190E59.2Low49.9Very low43 Ų4379.3 Ų79.320%0.20140%0.399CS..  trans-75.3138.9174.9-167166.1-163.900111.8R169 C170 A186 R187 N207R169-E190 WeakPolarHBondContact CA-O 3.35Å; C170-E190 PolarHBondContact N-O 2.83Å; A186-E190 VanDerWaalsContact CA-OE2 3.3Å; A186-E190 WeakPolarHBondContact CA-OE2 3.31Å; R187-E190 HydrophobicContact CB-CB 4.45Å; R187-E190 PolarHBondContact N-OE2 2.73Å; R187-E190 VanDerWaalsContact O-CB 3.31Å; R187-E190 WeakPolarHBondContact O-CB 3.39Å; R187-E190 PolarHBondContact O-N 3.44Å; E190-N207 PolarHBondContact OE1-ND2 3.32Å; E190-N207 PolarHBondContact OE1-OD1 2.98Å
191S54.8Low49.8Very low57 Ų5773.2 Ų73.240%0.39939%0.385SS..EExtended strand (participates in β ladder)trans-83.8115.5-177.1-45.80000110.1
192L60.9Low49.9Very low0 Ų068.2 Ų68.20%036%0.356CS..EExtended strand (participates in β ladder)trans-120.6123.2-176-65.5178.4000111.1L168 C170 F184 A186 V194 V205 N207 F215 L220L168-L192 PolarHBondContact N-O 2.92Å; L168-L192 PolarHBondContact O-N 3.24Å; C170-L192 HydrophobicContact CB-CD1 4.26Å; F184-L192 HydrophobicContact CZ-CD2 3.8Å; A186-L192 HydrophobicContact CB-CD1 3.81Å; L192-V194 PolarHBondContact O-N 2.78Å; L192-V205 HydrophobicContact CB-CB 4.08Å; L192-V205 HydrophobicContact CB-CG1 4.44Å; L192-V205 HydrophobicContact CB-CG2 4.35Å; L192-V205 HydrophobicContact CD1-CG2 4.1Å; L192-N207 HydrophobicContact CD2-CB 3.7Å; L192-N207 WeakPolarHBondContact CD2-OD1 3.32Å; L192-F215 HydrophobicContact CD1-CD2 4.42Å; L192-F215 HydrophobicContact CD1-CE2 4.41Å; L192-L220 HydrophobicContact CB-CD2 4.2Å; L192-L220 HydrophobicContact CD1-CD2 3.79Å
193D56.5Low50.3Low56 Ų5665.2 Ų65.230%0.29935%0.345SS..EExtended strand (participates in β ladder)trans-82.9112.2-176.4-86.5-11.8000111.1T165 S167 L195 V205 E206T165-D193 HydrophobicContact CG2-CB 3.28Å; T165-D193 WeakPolarHBondContact CG2-OD2 3.46Å; S167-D193 WeakPolarHBondContact CA-OD1 3.17Å; S167-D193 WeakPolarHBondContact CB-OD1 3.38Å; D193-L195 PolarHBondContact O-N 3.16Å; D193-V205 CarbonylContact O-C 3.49Å; D193-V205 VanDerWaalsContact O-CA 3.26Å; D193-V205 WeakPolarHBondContact O-CA 3.44Å; D193-E206 HydrophobicContact CB-CB 4.21Å; D193-E206 WeakPolarHBondContact CB-O 3.45Å; D193-E206 PolarHBondContact N-O 2.72Å; D193-E206 PolarHBondContact O-N 3.49Å
194V57.6Low50.9Low10 Ų1061 Ų616%0.06132%0.316CS..EExtended strand (participates in β ladder)trans-78.1112-178.3-177.60000111Q166 L168 L192 R197 W203 V205 L220Q166-V194 PolarHBondContact O-N 3.48Å; L168-V194 HydrophobicContact CB-CG2 4.4Å; L168-V194 HydrophobicContact CD1-CG2 3.32Å; L168-V194 HydrophobicContact CG-CG2 3.67Å; L192-V194 PolarHBondContact O-N 2.78Å; V194-R197 HydrophobicContact CG1-CG 3.77Å; V194-W203 HydrophobicContact CG1-CB 4.23Å; V194-W203 HydrophobicContact CG1-CE3 4.35Å; V194-W203 HydrophobicContact CG2-CE3 4.08Å; V194-V205 HydrophobicContact CG2-CG1 4.06Å; V194-L220 HydrophobicContact CG2-CD1 4.46Å
195L54.6Low51.2Low43 Ų4361 Ų6123%0.22532%0.316CS..EExtended strand (participates in β ladder)trans-89.6-33.1177.3-61-176.9000113.2L163 T165 D193 L204 E206 M212L163-L195 WeakPolarHBondContact CD2-O 3.48Å; T165-L195 HydrophobicContact CG2-CD2 4.42Å; D193-L195 PolarHBondContact O-N 3.16Å; L195-L204 HydrophobicContact CB-CD2 4.4Å; L195-L204 PolarHBondContact N-O 2.89Å; L195-E206 HydrophobicContact CD1-CB 3.78Å; L195-E206 HydrophobicContact CD2-CB 4.42Å; L195-E206 HydrophobicContact CG-CB 3.97Å; L195-M212 HydrophobicContact CD1-CE 3.76Å; L195-M212 HydrophobicContact CD1-CG 4.08Å; L195-M212 HydrophobicContact CD1-SD 3.97Å
196L49.9Very low51.6Low83 Ų8357.2 Ų57.244%0.43530%0.298SS..EExtended strand (participates in β ladder)trans-149.3130-177.3-171.372.5000112.4W203 L204 W214L196-W203 CarbonylContact O-C 3.57Å; L196-W203 VanDerWaalsContact O-CA 3.25Å; L196-W203 WeakPolarHBondContact O-CA 3.37Å; L196-L204 HydrophobicContact CB-CB 3.79Å; L196-L204 HydrophobicContact CB-CD2 4.47Å; L196-L204 PolarHBondContact N-O 2.56Å; L196-L204 PolarHBondContact O-N 3.21Å; L196-W214 HydrophobicContact CD2-CH2 3.9Å
197R49.4Very low52.2Low114 Ų11457.7 Ų57.743%0.4330%0.301SS..EExtended strand (participates in β ladder)trans-103.1109.5175.8-63.4178.9-172.2-126.8-6.4110.1V194 W203V194-R197 HydrophobicContact CG1-CG 3.77Å; R197-W203 HydrophobicContact CG-CD2 4.14Å; R197-W203 HydrophobicContact CG-CG 4.24Å
198H38.9Very low52.4Low77 Ų7756.5 Ų56.536%0.35630%0.303SS..  trans-93138.3173.6-165.5-96.1000110.7S200 G201 W202 W214H198-S200 WeakPolarHBondContact ND1-CB 3.42Å; H198-S200 PolarHBondContact ND1-N 2.86Å; H198-S200 VanDerWaalsContact ND1-N 3.2Å; H198-S200 PolarHBondContact ND1-OG 2.57Å; H198-S200 PolarHBondContact O-N 3.37Å; H198-G201 PolarHBondContact O-N 3.45Å; H198-G201 VanDerWaalsContact O-N 3.17Å; H198-W202 WeakPolarHBondContact CB-O 3.5Å; H198-W202 PolarHBondContact N-O 3.2Å; H198-W214 HydrophobicContact CB-CZ3 4.18Å
199P33.3Very low52.9Low131 Ų13159.7 Ų59.785%0.85131%0.313SS*.THydrogen-bonded Turntrans-66-4.5179.726.4-35.5000114.3G201P199-G201 PolarHBondContact O-N 3.11Å
200S32.7Very low53.1Low58 Ų5860.5 Ų60.541%0.40632%0.317SS..THydrogen-bonded Turntrans-80.13.5171.870.70000114H198 W202H198-S200 WeakPolarHBondContact ND1-CB 3.42Å; H198-S200 PolarHBondContact ND1-N 2.86Å; H198-S200 VanDerWaalsContact ND1-N 3.2Å; H198-S200 PolarHBondContact ND1-OG 2.57Å; H198-S200 PolarHBondContact O-N 3.37Å; S200-W202 VanDerWaalsContact C-N 3.32Å; S200-W202 PolarHBondContact O-N 3.41Å
201G43.5Very low52.9Low29 Ų2960.5 Ų60.530%0.29932%0.317SS..SBendtrans78.612.6-177.900000114.7H198 P199 A217H198-G201 PolarHBondContact O-N 3.45Å; H198-G201 VanDerWaalsContact O-N 3.17Å; P199-G201 PolarHBondContact O-N 3.11Å; G201-A217 WeakPolarHBondContact O-CB 3.25Å; G201-A217 PolarHBondContact O-N 2.89Å
202W48.2Very low53Low30 Ų3060.7 Ų60.711%0.11431%0.312CS..EExtended strand (participates in β ladder)trans-112.4122.3172.2-71.478.1000109H198 S200 W214 P216 R335H198-W202 WeakPolarHBondContact CB-O 3.5Å; H198-W202 PolarHBondContact N-O 3.2Å; S200-W202 VanDerWaalsContact C-N 3.32Å; S200-W202 PolarHBondContact O-N 3.41Å; W202-W214 HydrophobicContact CB-CE3 4.11Å; W202-W214 HydrophobicContact CE3-CB 4.07Å; W202-W214 WeakPolarHBondContact CZ3-O 3.26Å; W202-P216 HydrophobicContact CZ3-CB 4.49Å; W202-P216 HydrophobicContact CZ3-CG 4.49Å; W202-R335 HydrophobicContact CH2-CB 4.47Å; W202-R335 HydrophobicContact CZ2-CB 3.95Å; W202-R335 HydrophobicContact CZ2-CG 4.29Å
203W61.1Low52.8Low50 Ų5060.7 Ų60.719%0.18931%0.312CS..EExtended strand (participates in β ladder)trans-108.1140.6-179.3-62.5-7.2000109.2L168 V194 L196 R197 F215 A217 L220L168-W203 HydrophobicContact CD1-CE3 3.85Å; L168-W203 HydrophobicContact CD1-CZ3 3.43Å; L168-W203 VanDerWaalsContact CD1-CZ3 3.43Å; V194-W203 HydrophobicContact CG1-CB 4.23Å; V194-W203 HydrophobicContact CG1-CE3 4.35Å; V194-W203 HydrophobicContact CG2-CE3 4.08Å; L196-W203 CarbonylContact O-C 3.57Å; L196-W203 VanDerWaalsContact O-CA 3.25Å; L196-W203 WeakPolarHBondContact O-CA 3.37Å; R197-W203 HydrophobicContact CG-CD2 4.14Å; R197-W203 HydrophobicContact CG-CG 4.24Å; W203-F215 PolarHBondContact N-O 2.88Å; W203-F215 PolarHBondContact O-N 2.86Å; W203-A217 HydrophobicContact CD2-CB 3.7Å; W203-A217 HydrophobicContact CE3-CB 4.17Å; W203-A217 HydrophobicContact CG-CB 4.16Å; W203-A217 HydrophobicContact CH2-CB 4.06Å; W203-A217 HydrophobicContact CZ2-CB 3.6Å; W203-A217 HydrophobicContact CZ3-CB 4.31Å; W203-L220 HydrophobicContact CB-CD1 4.47Å; W203-L220 HydrophobicContact CE3-CD1 3.76Å; W203-L220 HydrophobicContact CZ3-CB 4.43Å; W203-L220 HydrophobicContact CZ3-CD1 4.44Å
204L59.1Low52.7Low27 Ų2760.6 Ų60.614%0.14131%0.308CS..EExtended strand (participates in β ladder)trans-81.4120.1169.9-17168.7000107T179 L195 L196 M212 W214T179-L204 HydrophobicContact CG2-CD1 3.89Å; L195-L204 HydrophobicContact CB-CD2 4.4Å; L195-L204 PolarHBondContact N-O 2.89Å; L196-L204 HydrophobicContact CB-CB 3.79Å; L196-L204 HydrophobicContact CB-CD2 4.47Å; L196-L204 PolarHBondContact N-O 2.56Å; L196-L204 PolarHBondContact O-N 3.21Å; L204-M212 HydrophobicContact CD1-CB 4.35Å; L204-W214 HydrophobicContact CB-CE3 4.26Å; L204-W214 HydrophobicContact CB-CH2 4.4Å; L204-W214 HydrophobicContact CB-CZ3 4.18Å; L204-W214 HydrophobicContact CD1-CD2 4.16Å; L204-W214 HydrophobicContact CD1-CG 4.37Å
205V60.8Low52.5Low0 Ų060.1 Ų60.10%031%0.305CS..EExtended strand (participates in β ladder)trans-117.9147178.1-58.70000110.4F184 L192 D193 V194 M212 A213 F215 L220F184-V205 HydrophobicContact CE1-CG2 4.39Å; F184-V205 HydrophobicContact CZ-CG2 4.24Å; L192-V205 HydrophobicContact CB-CB 4.08Å; L192-V205 HydrophobicContact CB-CG1 4.44Å; L192-V205 HydrophobicContact CB-CG2 4.35Å; L192-V205 HydrophobicContact CD1-CG2 4.1Å; D193-V205 CarbonylContact O-C 3.49Å; D193-V205 VanDerWaalsContact O-CA 3.26Å; D193-V205 WeakPolarHBondContact O-CA 3.44Å; V194-V205 HydrophobicContact CG2-CG1 4.06Å; V205-M212 CarbonylContact O-C 3.5Å; V205-M212 VanDerWaalsContact O-CA 3.29Å; V205-M212 WeakPolarHBondContact O-CA 3.49Å; V205-A213 WeakPolarHBondContact CG2-O 3.48Å; V205-A213 PolarHBondContact N-O 3.02Å; V205-A213 PolarHBondContact O-N 3.38Å; V205-F215 HydrophobicContact CB-CB 4.48Å; V205-F215 HydrophobicContact CG1-CB 4.06Å; V205-F215 HydrophobicContact CG2-CB 3.57Å; V205-F215 HydrophobicContact CG2-CG 4.21Å; V205-L220 HydrophobicContact CG1-CD1 3.61Å
206E60Low52.2Low40 Ų4058.4 Ų58.419%0.18730%0.296CS..EExtended strand (participates in β ladder)trans-108.7131.4171.3-175.6166.6-15700108.6D193 L195 Q210 Q211 M212D193-E206 HydrophobicContact CB-CB 4.21Å; D193-E206 WeakPolarHBondContact CB-O 3.45Å; D193-E206 PolarHBondContact N-O 2.72Å; D193-E206 PolarHBondContact O-N 3.49Å; L195-E206 HydrophobicContact CD1-CB 3.78Å; L195-E206 HydrophobicContact CD2-CB 4.42Å; L195-E206 HydrophobicContact CG-CB 3.97Å; E206-Q210 WeakPolarHBondContact OE1-CA 3.32Å; E206-Q211 WeakPolarHBondContact CA-O 3.26Å; E206-M212 HydrophobicContact CB-CG 4.42Å; E206-M212 HydrophobicContact CG-CG 4.41Å
207N64.4Low52.2Low10 Ų1055.3 Ų55.35%0.05328%0.283CS..  trans-88.4170.9172.8-16412.4000111.1F184 E190 L192 D209 Q210 Q211F184-N207 HydrophobicContact CE2-CB 3.66Å; F184-N207 HydrophobicContact CZ-CB 3.91Å; E190-N207 PolarHBondContact OE1-ND2 3.32Å; E190-N207 PolarHBondContact OE1-OD1 2.98Å; L192-N207 HydrophobicContact CD2-CB 3.7Å; L192-N207 WeakPolarHBondContact CD2-OD1 3.32Å; N207-D209 PolarHBondContact O-N 2.95Å; N207-D209 VanDerWaalsContact O-N 3.08Å; N207-Q210 WeakPolarHBondContact O-CA 3.29Å; N207-Q210 PolarHBondContact O-N 3.13Å; N207-Q211 PolarHBondContact N-O 3.39Å
208E58.5Low52.2Low155 Ų15554.6 Ų54.672%0.72429%0.292SS*.THydrogen-bonded Turntrans-52.1-30.7173-64.9-173.1170.700112.3Q210E208-Q210 PolarHBondContact O-N 3.36Å
209D56.4Low52.7Low116 Ų11653.2 Ų53.262%0.6228%0.284SS*.THydrogen-bonded Turntrans-77.910.4174.7-66.4-38.9000114.9N207 Q211N207-D209 PolarHBondContact O-N 2.95Å; N207-D209 VanDerWaalsContact O-N 3.08Å; D209-Q211 HydrophobicContact CB-CG 4.06Å; D209-Q211 PolarHBondContact O-N 2.9Å; D209-Q211 VanDerWaalsContact O-N 3.14Å
210Q55.8Low53.6Low141 Ų14147.7 Ų47.766%0.65925%0.248SC*.  trans56.126.2-175.5-58.7176.72.300114.1E206 N207 E208E206-Q210 WeakPolarHBondContact OE1-CA 3.32Å; N207-Q210 WeakPolarHBondContact O-CA 3.29Å; N207-Q210 PolarHBondContact O-N 3.13Å; E208-Q210 PolarHBondContact O-N 3.36Å
211Q54.3Low54.5Low44 Ų4449 Ų4921%0.20625%0.247CC..  trans-89.6130.4176.2-64.2-171-6.800109.9F184 E206 N207 D209F184-Q211 HydrophobicContact CD2-CB 3.95Å; F184-Q211 HydrophobicContact CE2-CB 4.03Å; E206-Q211 WeakPolarHBondContact CA-O 3.26Å; N207-Q211 PolarHBondContact N-O 3.39Å; D209-Q211 HydrophobicContact CB-CG 4.06Å; D209-Q211 PolarHBondContact O-N 2.9Å; D209-Q211 VanDerWaalsContact O-N 3.14Å
212M56.6Low54.7Low60 Ų6050.6 Ų50.630%0.29626%0.258SS..EExtended strand (participates in β ladder)trans-109108.7-171.4-65.6178.3-177.300110.8D178 T179 L195 L204 V205 E206D178-M212 PolarHBondContact OD2-N 2.85Å; T179-M212 WeakPolarHBondContact CG2-O 3.39Å; T179-M212 PolarHBondContact N-O 2.77Å; T179-M212 PolarHBondContact OG1-O 3.42Å; L195-M212 HydrophobicContact CD1-CE 3.76Å; L195-M212 HydrophobicContact CD1-CG 4.08Å; L195-M212 HydrophobicContact CD1-SD 3.97Å; L204-M212 HydrophobicContact CD1-CB 4.35Å; V205-M212 CarbonylContact O-C 3.5Å; V205-M212 VanDerWaalsContact O-CA 3.29Å; V205-M212 WeakPolarHBondContact O-CA 3.49Å; E206-M212 HydrophobicContact CB-CG 4.42Å; E206-M212 HydrophobicContact CG-CG 4.41Å
213A58.4Low54.3Low0 Ų052.2 Ų52.20%028%0.278CS..EExtended strand (participates in β ladder)trans-124.5150.2-17700000112.6F184 V205 F215F184-A213 HydrophobicContact CB-CB 3.71Å; F184-A213 HydrophobicContact CD1-CB 3.45Å; F184-A213 VanDerWaalsContact CD1-CB 3.45Å; F184-A213 HydrophobicContact CD2-CB 3.63Å; F184-A213 HydrophobicContact CE1-CB 3.86Å; F184-A213 HydrophobicContact CE2-CB 4.01Å; F184-A213 HydrophobicContact CG-CB 3.3Å; F184-A213 HydrophobicContact CZ-CB 4.12Å; V205-A213 WeakPolarHBondContact CG2-O 3.48Å; V205-A213 PolarHBondContact N-O 3.02Å; V205-A213 PolarHBondContact O-N 3.38Å; A213-F215 PolarHBondContact O-N 3.41Å
214W54.1Low52.8Low55 Ų5553.4 Ų53.421%0.20830%0.298CS..EExtended strand (participates in β ladder)trans-79.5114.9170.7-73100.6000109.1L196 H198 W202 L204L196-W214 HydrophobicContact CD2-CH2 3.9Å; H198-W214 HydrophobicContact CB-CZ3 4.18Å; W202-W214 HydrophobicContact CB-CE3 4.11Å; W202-W214 HydrophobicContact CE3-CB 4.07Å; W202-W214 WeakPolarHBondContact CZ3-O 3.26Å; L204-W214 HydrophobicContact CB-CE3 4.26Å; L204-W214 HydrophobicContact CB-CH2 4.4Å; L204-W214 HydrophobicContact CB-CZ3 4.18Å; L204-W214 HydrophobicContact CD1-CD2 4.16Å; L204-W214 HydrophobicContact CD1-CG 4.37Å
215F52.3Low51.5Low0 Ų056.6 Ų56.60%033%0.328CS..EExtended strand (participates in β ladder)trans-120.1134.2-174.1-157.1-89.6000111.2C170 F174 T176 F184 A186 L192 W203 V205 A213 A217 Y219 L220C170-F215 WeakPolarHBondContact SG-CZ 3.37Å; F174-F215 HydrophobicContact CB-CE2 3.75Å; F174-F215 HydrophobicContact CB-CZ 3.72Å; F174-F215 HydrophobicContact CD1-CD2 4.07Å; F174-F215 AromaticContact CD1-CE2 3.65Å; F174-F215 HydrophobicContact CD1-CE2 3.65Å; F174-F215 HydrophobicContact CD1-CZ 4.02Å; F174-F215 HydrophobicContact CG-CE2 4.19Å; F174-F215 HydrophobicContact CG-CZ 4.31Å; T176-F215 HydrophobicContact CG2-CD2 4.4Å; F184-F215 HydrophobicContact CE1-CD2 4.17Å; A186-F215 HydrophobicContact CB-CD2 4.41Å; A186-F215 HydrophobicContact CB-CE2 3.55Å; A186-F215 HydrophobicContact CB-CZ 4.04Å; L192-F215 HydrophobicContact CD1-CD2 4.42Å; L192-F215 HydrophobicContact CD1-CE2 4.41Å; W203-F215 PolarHBondContact N-O 2.88Å; W203-F215 PolarHBondContact O-N 2.86Å; V205-F215 HydrophobicContact CB-CB 4.48Å; V205-F215 HydrophobicContact CG1-CB 4.06Å; V205-F215 HydrophobicContact CG2-CB 3.57Å; V205-F215 HydrophobicContact CG2-CG 4.21Å; A213-F215 PolarHBondContact O-N 3.41Å; F215-A217 PolarHBondContact O-N 3.48Å; F215-Y219 HydrophobicContact CE1-CG 4.5Å; F215-L220 HydrophobicContact CB-CD1 4.4Å; F215-L220 HydrophobicContact CD1-CD1 3.72Å; F215-L220 HydrophobicContact CD1-CD2 3.55Å; F215-L220 HydrophobicContact CD1-CG 3.46Å; F215-L220 VanDerWaalsContact CD1-CG 3.46Å; F215-L220 HydrophobicContact CE1-CD1 4.49Å; F215-L220 HydrophobicContact CE1-CD2 3.6Å; F215-L220 HydrophobicContact CE1-CG 3.74Å; F215-L220 HydrophobicContact CG-CD1 4.45Å; F215-L220 HydrophobicContact CG-CD2 4.39Å
216P48.8Very low50.1Low7 Ų763.1 Ų63.15%0.04537%0.371CS..EExtended strand (participates in β ladder)trans-69.2126.4-178.928.2-34.5000110.3F174 W202 P218 Y219F174-P216 HydrophobicContact CD1-CG 3.81Å; F174-P216 HydrophobicContact CE1-CG 3.44Å; F174-P216 VanDerWaalsContact CE1-CG 3.44Å; F174-P216 HydrophobicContact CZ-CG 4.04Å; W202-P216 HydrophobicContact CZ3-CB 4.49Å; W202-P216 HydrophobicContact CZ3-CG 4.49Å; P216-P218 VanDerWaalsContact C-N 3.31Å; P216-Y219 HydrophobicContact CB-CD2 3.98Å; P216-Y219 HydrophobicContact CB-CE2 4.47Å; P216-Y219 HydrophobicContact CG-CD2 3.52Å; P216-Y219 HydrophobicContact CG-CE2 4.07Å; P216-Y219 HydrophobicContact CG-CG 4.25Å; P216-Y219 PolarHBondContact O-N 2.91Å; P216-Y219 VanDerWaalsContact O-N 3.12Å
217A50.9Low48.7Very low18 Ų1864.5 Ų64.515%0.14940%0.396CS..G310 helixtrans-51.9-35-179.500000115.4G201 W203 F215 Y219 L220G201-A217 WeakPolarHBondContact O-CB 3.25Å; G201-A217 PolarHBondContact O-N 2.89Å; W203-A217 HydrophobicContact CD2-CB 3.7Å; W203-A217 HydrophobicContact CE3-CB 4.17Å; W203-A217 HydrophobicContact CG-CB 4.16Å; W203-A217 HydrophobicContact CH2-CB 4.06Å; W203-A217 HydrophobicContact CZ2-CB 3.6Å; W203-A217 HydrophobicContact CZ3-CB 4.31Å; F215-A217 PolarHBondContact O-N 3.48Å; A217-Y219 PolarHBondContact O-N 3.21Å; A217-Y219 VanDerWaalsContact O-N 3.09Å; A217-L220 PolarHBondContact O-N 2.75Å
218P48.7Very low47.1Very low98 Ų9876.1 Ų76.164%0.63644%0.439SS*.G310 helixtrans-62.8-15.7179.2-23.334.1000114.9P216P216-P218 VanDerWaalsContact C-N 3.31Å
219Y48.3Very low45.6Very low48 Ų4872.1 Ų72.119%0.18844%0.44CS..G310 helixtrans-99.91.4-176.8-69.9-97000113C170 L171 Q172 F215 P216 A217 V332C170-Y219 CarbonylContact C-O 3.5Å; C170-Y219 WeakPolarHBondContact CA-O 3.44Å; L171-Y219 PolarHBondContact N-O 2.75Å; Q172-Y219 HydrophobicContact CB-CD1 4.07Å; Q172-Y219 HydrophobicContact CB-CE1 4.28Å; F215-Y219 HydrophobicContact CE1-CG 4.5Å; P216-Y219 HydrophobicContact CB-CD2 3.98Å; P216-Y219 HydrophobicContact CB-CE2 4.47Å; P216-Y219 HydrophobicContact CG-CD2 3.52Å; P216-Y219 HydrophobicContact CG-CE2 4.07Å; P216-Y219 HydrophobicContact CG-CG 4.25Å; P216-Y219 PolarHBondContact O-N 2.91Å; P216-Y219 VanDerWaalsContact O-N 3.12Å; A217-Y219 PolarHBondContact O-N 3.21Å; A217-Y219 VanDerWaalsContact O-N 3.09Å; Y219-V332 HydrophobicContact CE2-CG2 4.44Å
220L53.6Low45Very low15 Ų1577.9 Ų77.98%0.07945%0.453CS..EExtended strand (participates in β ladder)trans-113.7126.4-179.4-62.3168.7000110.2L168 L192 V194 W203 V205 F215 A217L168-L220 HydrophobicContact CB-CB 4Å; L168-L220 HydrophobicContact CB-CD2 4.42Å; L168-L220 HydrophobicContact CD1-CB 3.74Å; L168-L220 HydrophobicContact CD1-CD1 4.32Å; L192-L220 HydrophobicContact CB-CD2 4.2Å; L192-L220 HydrophobicContact CD1-CD2 3.79Å; V194-L220 HydrophobicContact CG2-CD1 4.46Å; W203-L220 HydrophobicContact CB-CD1 4.47Å; W203-L220 HydrophobicContact CE3-CD1 3.76Å; W203-L220 HydrophobicContact CZ3-CB 4.43Å; W203-L220 HydrophobicContact CZ3-CD1 4.44Å; V205-L220 HydrophobicContact CG1-CD1 3.61Å; F215-L220 HydrophobicContact CB-CD1 4.4Å; F215-L220 HydrophobicContact CD1-CD1 3.72Å; F215-L220 HydrophobicContact CD1-CD2 3.55Å; F215-L220 HydrophobicContact CD1-CG 3.46Å; F215-L220 VanDerWaalsContact CD1-CG 3.46Å; F215-L220 HydrophobicContact CE1-CD1 4.49Å; F215-L220 HydrophobicContact CE1-CD2 3.6Å; F215-L220 HydrophobicContact CE1-CG 3.74Å; F215-L220 HydrophobicContact CG-CD1 4.45Å; F215-L220 HydrophobicContact CG-CD2 4.39Å; A217-L220 PolarHBondContact O-N 2.75Å
221E52Low43.8Very low85 Ų8580.1 Ų80.140%0.39746%0.463SS..EExtended strand (participates in β ladder)trans-119138.8175.7-163.5-174-158.700110.4L168 R169 L171 A223L168-E221 CarbonylContact C-O 3.51Å; L168-E221 WeakPolarHBondContact CA-O 3.36Å; R169-E221 HydrophobicContact CG-CB 4.13Å; R169-E221 VanDerWaalsContact CG-O 3.24Å; R169-E221 WeakPolarHBondContact CG-O 3.47Å; R169-E221 IonicContact CZ-OE2 2.96Å; R169-E221 VanDerWaalsContact CZ-OE2 3.23Å; R169-E221 PolarHBondContact N-O 2.64Å; R169-E221 IonicContact NE-OE2 3.9Å; R169-E221 PolarHBondContact NE-OE2 3.09Å; R169-E221 IonicContact NH2-OE1 3.61Å; R169-E221 IonicContact NH2-OE2 2.73Å; R169-E221 PolarHBondContact NH2-OE2 3.14Å; R169-E221 PolarHBondContact O-N 3.31Å; L171-E221 HydrophobicContact CD1-CB 4.05Å; L171-E221 HydrophobicContact CD2-CB 3.83Å; L171-E221 WeakPolarHBondContact CD2-OE2 3.03Å; L171-E221 HydrophobicContact CG-CB 3.9Å; E221-A223 PolarHBondContact O-N 3.36Å
222A46.6Very low43.1Very low63 Ų6384.6 Ų84.652%0.52149%0.494SS..EExtended strand (participates in β ladder)trans-68.7128.7174.600000109.7L168 A224L168-A222 HydrophobicContact CD2-CB 3.58Å; A222-A224 VanDerWaalsContact C-N 3.35Å; A222-A224 PolarHBondContact O-N 2.85Å
223A38.9Very low41.8Very low64 Ų6484.8 Ų84.853%0.52951%0.511SS..  trans-66.595.3178.900000109.8E221 A225E221-A223 PolarHBondContact O-N 3.36Å; A223-A225 PolarHBondContact O-N 3.41Å
224A30.8Very low40.6Very low75 Ų7588.9 Ų88.962%0.6255%0.553SS**PPolyproline II helixtrans-58.1124.9173.200000109.5A222A222-A224 VanDerWaalsContact C-N 3.35Å; A222-A224 PolarHBondContact O-N 2.85Å
225A30.9Very low39.5Very low94 Ų9491.8 Ų91.878%0.77758%0.582SS**PPolyproline II helixtrans-52.4137.3172.700000110.3A223 G227A223-A225 PolarHBondContact O-N 3.41Å; A225-G227 PolarHBondContact O-N 3.04Å
226P31.3Very low38.6Very low138 Ų13898.1 Ų98.190%0.89662%0.615SS**SBendtrans-80.7123.7-17332.1-30.9000109.5
227G31.6Very low37.7Very low69 Ų69100.8 Ų100.871%0.71164%0.644SS**  trans141.573.316200000115.6A225A225-G227 PolarHBondContact O-N 3.04Å
228R31Very low37.1Very low253 Ų253103.6 Ų103.696%0.95566%0.662SS**SBend174.6127.5121.9-96.6176.8-169.7-143.13.4109.9
229G27.5Very low36.7Very low72 Ų72104.7 Ų104.774%0.74267%0.672SS**  trans47.799.9145.800000117.5E231G229-E231 PolarHBondContact O-N 3.34Å
230R42.6Very low36.8Very low237 Ų237103.5 Ų103.589%0.89468%0.675SS**  trans-58.998.9163.9-178170.9-178.8170.6-1110.2
231E30.8Very low36.9Very low187 Ų187106.2 Ų106.287%0.87469%0.693SS**  trans-115.7105.5159.1-70.5-165.3169.300108.9G229 G233G229-E231 PolarHBondContact O-N 3.34Å; E231-G233 PolarHBondContact O-N 3.47Å; E231-G233 VanDerWaalsContact O-N 3.15Å
232T40.5Very low37.5Very low139 Ų139105.4 Ų105.485%0.85369%0.689SS**  trans-70.499170-63.10000108.3
233G28.2Very low38.4Very low64 Ų64103.2 Ų103.266%0.6667%0.668SS**  trans-155.8118.6171.700000109.1E231 S235E231-G233 PolarHBondContact O-N 3.47Å; E231-G233 VanDerWaalsContact O-N 3.15Å; G233-S235 PolarHBondContact O-N 3.03Å
234G33.4Very low39.9Very low86 Ų86100.7 Ų100.789%0.88765%0.646SS**  trans-50.4102.8-165.400000115.7L236G234-L236 PolarHBondContact O-N 3.09Å
235S30.1Very low41.6Very low115 Ų11597.1 Ų97.180%0.80462%0.617SS**  trans-89.583.8155-170.40000107.7G233 G237G233-S235 PolarHBondContact O-N 3.03Å; S235-G237 PolarHBondContact O-N 3.4Å
236L33.4Very low42.8Very low133 Ų13394 Ų9470%0.69659%0.59SS**  trans-69.871.6164.4-16080.4000107.7G234 S238G234-L236 PolarHBondContact O-N 3.09Å; L236-S238 VanDerWaalsContact C-N 3.28Å; L236-S238 PolarHBondContact O-N 2.92Å
237G30.6Very low43.9Very low63 Ų6394.9 Ų94.965%0.64958%0.575SS**  trans-67.783175.300000111.2S235S235-G237 PolarHBondContact O-N 3.4Å
238S37.3Very low45.5Very low77 Ų7794.9 Ų94.954%0.53857%0.569SS.*SBendtrans61.458.6131.8-166.20000119.2L236L236-S238 VanDerWaalsContact C-N 3.28Å; L236-S238 PolarHBondContact O-N 2.92Å
239S42.3Very low46.7Very low121 Ų12184.4 Ų84.485%0.84653%0.529SS*.  trans-153.854.3152.3-153.50000114
240G48.8Very low48.5Very low23 Ų2388.3 Ų88.324%0.23753%0.528CS..SBendtrans-79.7141.7158.200000109.3Q242G240-Q242 PolarHBondContact O-N 3.24Å
241P55.8Low49.4Very low72 Ų7279.3 Ų79.347%0.46850%0.501SS..PPolyproline II helixtrans-57.3129.4177.221.5-30000110.1F243 V267P241-F243 HydrophobicContact CB-CD2 4.46Å; P241-F243 HydrophobicContact CB-CE2 3.66Å; P241-F243 HydrophobicContact CB-CZ 4.32Å; P241-F243 HydrophobicContact CG-CE2 3.89Å; P241-F243 VanDerWaalsContact O-CD2 3.22Å; P241-F243 WeakPolarHBondContact O-CD2 3.3Å; P241-F243 WeakPolarHBondContact O-CE2 3.41Å; P241-V267 PolarHBondContact O-N 3.04Å
242Q65.8Low49.9Very low68 Ų6876.1 Ų76.132%0.31849%0.49SS..EExtended strand (participates in β ladder)trans-89.8133.5-177.3-65.7178.81700110.4G240 E295G240-Q242 PolarHBondContact O-N 3.24Å; Q242-E295 PolarHBondContact O-N 2.79Å; Q242-E295 PolarHBondContact OE1-OE2 2.87Å
243F65.8Low49.9Very low17 Ų1777 Ų778%0.07548%0.478CS..EExtended strand (participates in β ladder)trans-125.9151.8-179-68-101.9000109.9P241 V265 V267 W276 L292 R293 P294P241-F243 HydrophobicContact CB-CD2 4.46Å; P241-F243 HydrophobicContact CB-CE2 3.66Å; P241-F243 HydrophobicContact CB-CZ 4.32Å; P241-F243 HydrophobicContact CG-CE2 3.89Å; P241-F243 VanDerWaalsContact O-CD2 3.22Å; P241-F243 WeakPolarHBondContact O-CD2 3.3Å; P241-F243 WeakPolarHBondContact O-CE2 3.41Å; F243-V265 HydrophobicContact CB-CG2 4.21Å; F243-V265 PolarHBondContact N-O 2.89Å; F243-V265 PolarHBondContact O-N 2.82Å; F243-V265 VanDerWaalsContact O-O 3.1Å; F243-V267 HydrophobicContact CB-CG2 4.35Å; F243-V267 HydrophobicContact CD2-CB 4Å; F243-V267 HydrophobicContact CD2-CG2 3.26Å; F243-V267 HydrophobicContact CE2-CB 4.02Å; F243-V267 HydrophobicContact CE2-CG2 3.64Å; F243-V267 HydrophobicContact CG-CG2 3.91Å; F243-W276 HydrophobicContact CD1-CZ3 4.3Å; F243-W276 AromaticContact CE1-CZ3 3.9Å; F243-W276 HydrophobicContact CE1-CZ3 3.9Å; F243-W276 HydrophobicContact CZ-CZ3 4.07Å; F243-L292 HydrophobicContact CB-CB 4.17Å; F243-L292 HydrophobicContact CD1-CB 4.34Å; F243-R293 CarbonylContact C-O 3.57Å; F243-R293 VanDerWaalsContact CA-O 3.26Å; F243-R293 WeakPolarHBondContact CA-O 3.2Å; F243-P294 HydrophobicContact CD1-CB 4.47Å; F243-P294 HydrophobicContact CD1-CG 4.37Å; F243-P294 HydrophobicContact CE1-CB 4.29Å; F243-P294 HydrophobicContact CE1-CG 4.01Å
244C68.6Low50.6Low11 Ų1179.4 Ų79.47%0.07449%0.492CS..EExtended strand (participates in β ladder)trans-106.8132.4173.3-91.20000110.8L131 S246 A263 R293 E295L131-C244 HydrophobicContact CD2-CB 4.05Å; C244-S246 PolarHBondContact O-N 2.9Å; C244-A263 WeakPolarHBondContact CA-O 3.37Å; C244-R293 PolarHBondContact N-O 2.88Å; C244-R293 PolarHBondContact O-N 3.28Å; C244-E295 HydrophobicContact CB-CG 4.13Å; C244-E295 VanDerWaalsContact SG-CD 3.57Å; C244-E295 WeakPolarHBondContact SG-CG 3.17Å; C244-E295 PolarHBondContact SG-OE1 3.25Å
245A66.8Low51.3Low0 Ų079 Ų790%047%0.469CS..EExtended strand (participates in β ladder)trans-67118.1169.400000109.6R247 V259 G262 A263 L291A245-R247 VanDerWaalsContact C-N 3.3Å; A245-R247 PolarHBondContact O-N 3.4Å; A245-V259 HydrophobicContact CB-CG2 3.77Å; A245-G262 WeakPolarHBondContact O-CA 3.31Å; A245-G262 PolarHBondContact O-N 2.77Å; A245-A263 HydrophobicContact CB-CB 4.29Å; A245-A263 PolarHBondContact N-O 2.71Å; A245-L291 CarbonylContact C-O 3.53Å; A245-L291 WeakPolarHBondContact CA-O 3.26Å
246S55.7Low52.8Low30 Ų3074.5 Ų74.521%0.2144%0.436CS..SBendtrans-70.4-25179.158.50000113.6C244 L291C244-S246 PolarHBondContact O-N 2.9Å; S246-L291 WeakPolarHBondContact CB-O 3.43Å; S246-L291 PolarHBondContact N-O 3.3Å; S246-L291 PolarHBondContact OG-O 3.42Å
247R55Low54.2Low156 Ų15668.5 Ų68.559%0.58940%0.404SS*.SBendtrans-142159.8179.6-68.3-177.9-92.1-169.6-4.8109.5A245 L291A245-R247 VanDerWaalsContact C-N 3.3Å; A245-R247 PolarHBondContact O-N 3.4Å; R247-L291 HydrophobicContact CB-CD2 4.32Å
248A64.6Low56Low69 Ų6968.3 Ų68.357%0.5739%0.393SS*.  trans-67.9139.9171.400000109.1V259 A261A248-V259 CarbonylContact C-O 3.48Å; A248-V259 WeakPolarHBondContact CA-O 3.47Å; A248-A261 HydrophobicContact CB-CB 4.3Å
249Y57.9Low57.6Low33 Ų3364.9 Ų64.913%0.12937%0.369CS..BIsolated β-bridgetrans-130.5125.5178.7-178.1-105.2000109E256 L257 S258 V259 W275 L287 P288 L291Y249-E256 HydrophobicContact CE1-CB 4.42Å; Y249-E256 VanDerWaalsContact OH-CD 3.24Å; Y249-E256 PolarHBondContact OH-OE2 3.02Å; Y249-L257 WeakPolarHBondContact CD1-O 3.45Å; Y249-S258 CarbonylContact O-C 3.57Å; Y249-S258 VanDerWaalsContact O-CA 3.27Å; Y249-S258 WeakPolarHBondContact O-CA 3.45Å; Y249-V259 PolarHBondContact N-O 2.9Å; Y249-V259 PolarHBondContact O-N 3.15Å; Y249-W275 HydrophobicContact CE1-CZ3 4.38Å; Y249-W275 AromaticContact CZ-CZ3 3.93Å; Y249-W275 WeakPolarHBondContact OH-CH2 3.23Å; Y249-W275 WeakPolarHBondContact OH-CZ3 3.05Å; Y249-L287 HydrophobicContact CD1-CD2 3.39Å; Y249-L287 HydrophobicContact CE1-CD2 4.09Å; Y249-L287 HydrophobicContact CG-CD2 3.94Å; Y249-P288 HydrophobicContact CD2-CG 4.17Å; Y249-P288 HydrophobicContact CE1-CG 4.4Å; Y249-P288 HydrophobicContact CE2-CG 3.72Å; Y249-L291 HydrophobicContact CD2-CD1 3.46Å; Y249-L291 VanDerWaalsContact CD2-CD1 3.46Å; Y249-L291 HydrophobicContact CE2-CD1 4.34Å; Y249-L291 HydrophobicContact CG-CD1 3.81Å
250E63.9Low58.7Low153 Ų15360.7 Ų60.772%0.71534%0.339SS*.  trans-104.9123.6175.5-64.3-172.7163.400108.3N252E250-N252 PolarHBondContact O-N 3.01Å
251S61.8Low59.5Low48 Ų4861.5 Ų61.534%0.33634%0.343SS..  trans-65.3127.8177.454.90000110.2E256 S258S251-E256 WeakPolarHBondContact CB-O 3.32Å; S251-S258 WeakPolarHBondContact CB-OG 3.23Å; S251-S258 PolarHBondContact N-OG 3.1Å; S251-S258 PolarHBondContact OG-OG 3.18Å
252N41Very low59.8Low120 Ų12058.2 Ų58.264%0.64232%0.323SS*.SBendtrans-98-1717465.258.6000112.3E250 E256E250-N252 PolarHBondContact O-N 3.01Å; N252-E256 PolarHBondContact N-OE2 3.46Å; N252-E256 PolarHBondContact ND2-OE2 2.93Å; N252-E256 PolarHBondContact OD1-OE1 3.28Å; N252-E256 PolarHBondContact OD1-OE2 3.34Å
253R40.9Very low59.9Low157 Ų15755 Ų5559%0.59231%0.307SS*.SBendtrans-123.9159.1176.3-65.9153.172.712311.4112.1D255 E256R253-D255 WeakPolarHBondContact CB-OD1 3.46Å; R253-D255 IonicContact NE-OD1 3.71Å; R253-D255 PolarHBondContact NE-OD1 2.7Å; R253-D255 PolarHBondContact O-N 3.43Å; R253-E256 HydrophobicContact CB-CG 4.15Å; R253-E256 PolarHBondContact N-OE2 3.11Å; R253-E256 PolarHBondContact O-N 3.41Å; R253-E256 VanDerWaalsContact O-N 3.12Å
254A43.6Very low59.9Low116 Ų11657 Ų5796%0.95932%0.315SS*.THydrogen-bonded Turntrans-66.2-19.4-176.400000113.9
255D48Very low59.9Low76 Ų7656.6 Ų56.641%0.40631%0.312SS..THydrogen-bonded Turntrans-88.8-5.7176.454.7-42.6000113.9R253 L286R253-D255 WeakPolarHBondContact CB-OD1 3.46Å; R253-D255 IonicContact NE-OD1 3.71Å; R253-D255 PolarHBondContact NE-OD1 2.7Å; R253-D255 PolarHBondContact O-N 3.43Å; D255-L286 HydrophobicContact CB-CD1 4.45Å; D255-L286 PolarHBondContact O-N 3.05Å
256E60.7Low60.2Low21 Ų2159.5 Ų59.510%0.09832%0.323CS..BIsolated β-bridgetrans-98.5146.2-176.8-65.9176.2175.800112.4Y249 S251 N252 R253 W275 L286Y249-E256 HydrophobicContact CE1-CB 4.42Å; Y249-E256 VanDerWaalsContact OH-CD 3.24Å; Y249-E256 PolarHBondContact OH-OE2 3.02Å; S251-E256 WeakPolarHBondContact CB-O 3.32Å; N252-E256 PolarHBondContact N-OE2 3.46Å; N252-E256 PolarHBondContact ND2-OE2 2.93Å; N252-E256 PolarHBondContact OD1-OE1 3.28Å; N252-E256 PolarHBondContact OD1-OE2 3.34Å; R253-E256 HydrophobicContact CB-CG 4.15Å; R253-E256 PolarHBondContact N-OE2 3.11Å; R253-E256 PolarHBondContact O-N 3.41Å; R253-E256 VanDerWaalsContact O-N 3.12Å; E256-W275 HydrophobicContact CG-CH2 4.41Å; E256-W275 HydrophobicContact CG-CZ3 3.88Å; E256-W275 VanDerWaalsContact OE1-CH2 3.31Å; E256-W275 WeakPolarHBondContact OE1-CH2 3.26Å; E256-L286 WeakPolarHBondContact CA-O 3.44Å
257L63.3Low60.8Low8 Ų858.4 Ų58.44%0.04232%0.315CS..  trans-101.5113.5-178.4-175.669.6000111.5Y249 V259 C278 R283 L286 L287Y249-L257 WeakPolarHBondContact CD1-O 3.45Å; L257-V259 HydrophobicContact CD2-CG1 3.93Å; L257-V259 HydrophobicContact CG-CG1 3.9Å; L257-V259 PolarHBondContact O-N 3.43Å; L257-C278 HydrophobicContact CD2-CB 4.24Å; L257-C278 WeakPolarHBondContact CD2-O 3.42Å; L257-R283 HydrophobicContact CD1-CB 3.67Å; L257-L286 PolarHBondContact N-O 3.14Å; L257-L287 HydrophobicContact CB-CD1 4.34Å; L257-L287 HydrophobicContact CB-CG 4.14Å; L257-L287 HydrophobicContact CD2-CD1 3.8Å; L257-L287 HydrophobicContact CD2-CG 4.47Å; L257-L287 HydrophobicContact CG-CD1 4.38Å; L257-L287 WeakPolarHBondContact O-CD2 3.43Å
258S68.3Low61.3Low58 Ų5853.9 Ų53.941%0.40630%0.302SS..  trans-69.6126.3170.7-74.40000111.5Y249 S251Y249-S258 CarbonylContact O-C 3.57Å; Y249-S258 VanDerWaalsContact O-CA 3.27Å; Y249-S258 WeakPolarHBondContact O-CA 3.45Å; S251-S258 WeakPolarHBondContact CB-OG 3.23Å; S251-S258 PolarHBondContact N-OG 3.1Å; S251-S258 PolarHBondContact OG-OG 3.18Å
259V70.3Confident61.2Low5 Ų556.6 Ų56.63%0.0330%0.302CS..BIsolated β-bridgetrans-138.3140.8177.5-62.20000112.8A245 A248 Y249 L257 A263 V265 Y280 L287A245-V259 HydrophobicContact CB-CG2 3.77Å; A248-V259 CarbonylContact C-O 3.48Å; A248-V259 WeakPolarHBondContact CA-O 3.47Å; Y249-V259 PolarHBondContact N-O 2.9Å; Y249-V259 PolarHBondContact O-N 3.15Å; L257-V259 HydrophobicContact CD2-CG1 3.93Å; L257-V259 HydrophobicContact CG-CG1 3.9Å; L257-V259 PolarHBondContact O-N 3.43Å; V259-A263 HydrophobicContact CB-CB 3.87Å; V259-V265 HydrophobicContact CG1-CG1 3.97Å; V259-Y280 HydrophobicContact CG1-CD1 4.04Å; V259-Y280 HydrophobicContact CG1-CD2 4.48Å; V259-Y280 HydrophobicContact CG1-CG 3.88Å; V259-L287 HydrophobicContact CB-CD1 4.47Å; V259-L287 HydrophobicContact CG1-CD1 3.74Å; V259-L287 HydrophobicContact CG2-CD1 3.9Å; V259-L287 HydrophobicContact CG2-CD2 3.62Å; V259-L287 HydrophobicContact CG2-CG 4.43Å
260P67Low61.5Low34 Ų3460.9 Ų60.922%0.22132%0.322CS..  trans-73.5160.9174.127.8-31.7000112.3G262 A263P260-G262 PolarHBondContact O-N 2.96Å; P260-A263 HydrophobicContact CG-CB 3.98Å; P260-A263 WeakPolarHBondContact O-CB 3.49Å; P260-A263 PolarHBondContact O-N 3.29Å
261A64.8Low60.7Low40 Ų4055.5 Ų55.533%0.33130%0.301SS..THydrogen-bonded Turntrans-58.8132.3172.800000110.4R5 A248 A263R5-A261 PolarHBondContact NH1-O 3.38Å; A248-A261 HydrophobicContact CB-CB 4.3Å; A261-A263 VanDerWaalsContact C-N 3.28Å; A261-A263 PolarHBondContact O-N 3.05Å
262G62.2Low59.8Low3 Ų360.5 Ų60.53%0.03132%0.324CS..THydrogen-bonded Turntrans7510.7-175.400000115A245 P260 R264A245-G262 WeakPolarHBondContact O-CA 3.31Å; A245-G262 PolarHBondContact O-N 2.77Å; P260-G262 PolarHBondContact O-N 2.96Å; G262-R264 PolarHBondContact O-N 2.88Å
263A66.7Low59.6Low0 Ų065 Ų650%033%0.332CS..  trans-62.4133.1172.200000111C244 A245 V259 P260 A261 V265 Y280C244-A263 WeakPolarHBondContact CA-O 3.37Å; A245-A263 HydrophobicContact CB-CB 4.29Å; A245-A263 PolarHBondContact N-O 2.71Å; V259-A263 HydrophobicContact CB-CB 3.87Å; P260-A263 HydrophobicContact CG-CB 3.98Å; P260-A263 WeakPolarHBondContact O-CB 3.49Å; P260-A263 PolarHBondContact O-N 3.29Å; A261-A263 VanDerWaalsContact C-N 3.28Å; A261-A263 PolarHBondContact O-N 3.05Å; A263-V265 HydrophobicContact CB-CG1 4.48Å; A263-Y280 HydrophobicContact CB-CD2 3.98Å; A263-Y280 HydrophobicContact CB-CE2 3.6Å
264R66.6Low59.8Low60 Ų6059 Ų5923%0.22632%0.319CS..EExtended strand (participates in β ladder)trans-82.5117.5172.8-65.4178.368.2-167.84.3108.9D35 G262 Y280 E295 S302D35-R264 WeakPolarHBondContact O-CD 3.12Å; G262-R264 PolarHBondContact O-N 2.88Å; R264-Y280 WeakPolarHBondContact O-CD2 3.47Å; R264-E295 WeakPolarHBondContact CD-OE1 3.26Å; R264-E295 WeakPolarHBondContact CG-OE1 2.96Å; R264-E295 IonicContact CZ-OE2 2.74Å; R264-E295 IonicContact NE-OE1 3.6Å; R264-E295 PolarHBondContact NE-OE1 3.47Å; R264-E295 VanDerWaalsContact NE-OE1 3.15Å; R264-E295 IonicContact NE-OE2 3.86Å; R264-E295 PolarHBondContact NE-OE2 2.78Å; R264-E295 IonicContact NH2-OE2 3.48Å; R264-E295 PolarHBondContact NH2-OE2 2.9Å; R264-S302 PolarHBondContact NH2-OG 2.78Å
265V69.2Low60.4Low2 Ų257.9 Ų57.91%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-119.5142.4179.8-54.20000110.1F243 V259 A263 C278 R279 Y280 L287 L292F243-V265 HydrophobicContact CB-CG2 4.21Å; F243-V265 PolarHBondContact N-O 2.89Å; F243-V265 PolarHBondContact O-N 2.82Å; F243-V265 VanDerWaalsContact O-O 3.1Å; V259-V265 HydrophobicContact CG1-CG1 3.97Å; A263-V265 HydrophobicContact CB-CG1 4.48Å; V265-C278 HydrophobicContact CB-CB 4.24Å; V265-C278 HydrophobicContact CG2-CB 4.33Å; V265-R279 WeakPolarHBondContact CA-O 3.43Å; V265-Y280 HydrophobicContact CG1-CD2 4.24Å; V265-L287 HydrophobicContact CB-CD1 4.43Å; V265-L287 HydrophobicContact CG1-CD1 3.93Å; V265-L287 HydrophobicContact CG2-CD1 4.4Å; V265-L292 HydrophobicContact CG2-CD1 4.41Å; V265-L292 HydrophobicContact CG2-CD2 3.48Å; V265-L292 VanDerWaalsContact CG2-CD2 3.48Å
266R72.3Confident61.3Low61 Ų6156.6 Ų56.623%0.2328%0.28CS..EExtended strand (participates in β ladder)trans-95.7120.1173.3-177.3179.7-68.8163.7-1.1108.2L268 C278 R279R266-L268 HydrophobicContact CG-CD2 4.36Å; R266-L268 PolarHBondContact O-N 2.88Å; R266-C278 CarbonylContact O-C 3.49Å; R266-C278 VanDerWaalsContact O-CA 3.29Å; R266-C278 WeakPolarHBondContact O-CA 3.49Å; R266-R279 HydrophobicContact CB-CB 4.39Å; R266-R279 PolarHBondContact N-O 3.14Å; R266-R279 PolarHBondContact O-N 3.1Å
267V67.9Low61.2Low7 Ų757.8 Ų57.84%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-77.4117.1174.3177.60000108.1P241 F243 K270 W276 L292P241-V267 PolarHBondContact O-N 3.04Å; F243-V267 HydrophobicContact CB-CG2 4.35Å; F243-V267 HydrophobicContact CD2-CB 4Å; F243-V267 HydrophobicContact CD2-CG2 3.26Å; F243-V267 HydrophobicContact CE2-CB 4.02Å; F243-V267 HydrophobicContact CE2-CG2 3.64Å; F243-V267 HydrophobicContact CG-CG2 3.91Å; V267-K270 HydrophobicContact CG1-CG 3.69Å; V267-W276 HydrophobicContact CG1-CB 4.21Å; V267-W276 HydrophobicContact CG1-CD2 4.45Å; V267-W276 HydrophobicContact CG1-CE3 4.08Å; V267-W276 HydrophobicContact CG2-CE3 3.79Å; V267-W276 HydrophobicContact CG2-CZ3 4.4Å; V267-L292 HydrophobicContact CG2-CD1 4.13Å
268L66.6Low61.3Low60 Ų6057.4 Ų57.431%0.31429%0.285SS..EExtended strand (participates in β ladder)trans-87.6-42.1175.9-59.8179.2000110.4R266 L277 R279 E284R266-L268 HydrophobicContact CG-CD2 4.36Å; R266-L268 PolarHBondContact O-N 2.88Å; L268-L277 HydrophobicContact CB-CD2 4.27Å; L268-L277 HydrophobicContact CB-CG 4.29Å; L268-L277 HydrophobicContact CD1-CD2 4.39Å; L268-L277 HydrophobicContact CD1-CG 4.37Å; L268-L277 PolarHBondContact N-O 3.34Å; L268-R279 HydrophobicContact CD1-CB 4.09Å; L268-R279 HydrophobicContact CD2-CB 4.47Å; L268-R279 HydrophobicContact CG-CB 4.25Å; L268-E284 HydrophobicContact CD1-CG 4Å
269E63.1Low61.3Low126 Ų12657.8 Ų57.859%0.58928%0.277SS*.EExtended strand (participates in β ladder)trans-140.5133.8-178.6-161.4179.8158.900111.1W276 L277E269-W276 CarbonylContact O-C 3.59Å; E269-W276 WeakPolarHBondContact O-CA 3.43Å; E269-W276 WeakPolarHBondContact O-CB 3.3Å; E269-L277 HydrophobicContact CB-CB 3.82Å; E269-L277 HydrophobicContact CB-CD2 4.43Å; E269-L277 PolarHBondContact N-O 3.01Å; E269-L277 PolarHBondContact O-N 3.12Å
270K63.7Low61.4Low123 Ų12359.7 Ų59.754%0.53528%0.284SS..  trans-101.2116.6174.8-68.2-179.7-179.4176.30108.7V267 W276V267-K270 HydrophobicContact CG1-CG 3.69Å; K270-W276 HydrophobicContact CD-CZ2 4.49Å; K270-W276 HydrophobicContact CG-CD2 4.1Å; K270-W276 HydrophobicContact CG-CE3 4.37Å; K270-W276 HydrophobicContact CG-CG 4.5Å; K270-W276 HydrophobicContact CG-CZ2 4.44Å
271S47.1Very low61.6Low40 Ų4060.9 Ų60.928%0.2830%0.303SS..  trans-93.3145.1166.2-170.10000110.6R273 W275 W276S271-R273 PolarHBondContact O-N 3.06Å; S271-R273 PolarHBondContact OG-N 3.36Å; S271-W275 WeakPolarHBondContact CB-O 3.47Å; S271-W276 PolarHBondContact O-NE1 3.23Å
272D42.8Very low61.8Low154 Ų15467 Ų6782%0.82433%0.33SS*.THydrogen-bonded Turntrans-70.7-14.8168.259.3-12.3000112.6G274D272-G274 PolarHBondContact O-N 3.27Å
273R36.7Very low61.6Low213 Ų21376.1 Ų76.180%0.80436%0.364SS*.THydrogen-bonded Turntrans-80.76.8177.8-54.6-170.9-178.9-166.8-0.6114.5S271 W275S271-R273 PolarHBondContact O-N 3.06Å; S271-R273 PolarHBondContact OG-N 3.36Å; R273-W275 PolarHBondContact O-N 3.02Å
274G45.4Very low61.9Low32 Ų3281.1 Ų81.133%0.3339%0.387SS..SBendtrans82.74.9173.700000115.8D272 A289D272-G274 PolarHBondContact O-N 3.27Å; G274-A289 WeakPolarHBondContact O-CB 3.43Å; G274-A289 PolarHBondContact O-N 3.41Å
275W55.4Low61.8Low93 Ų9378.5 Ų78.535%0.35238%0.378SS..EExtended strand (participates in β ladder)trans-119.1120174.1-69.681.5000110Y249 E256 S271 R273 L286 P288Y249-W275 HydrophobicContact CE1-CZ3 4.38Å; Y249-W275 AromaticContact CZ-CZ3 3.93Å; Y249-W275 WeakPolarHBondContact OH-CH2 3.23Å; Y249-W275 WeakPolarHBondContact OH-CZ3 3.05Å; E256-W275 HydrophobicContact CG-CH2 4.41Å; E256-W275 HydrophobicContact CG-CZ3 3.88Å; E256-W275 VanDerWaalsContact OE1-CH2 3.31Å; E256-W275 WeakPolarHBondContact OE1-CH2 3.26Å; S271-W275 WeakPolarHBondContact CB-O 3.47Å; R273-W275 PolarHBondContact O-N 3.02Å; W275-L286 HydrophobicContact CE3-CB 4.03Å; W275-P288 HydrophobicContact CD2-CG 4.32Å; W275-P288 HydrophobicContact CE3-CG 3.89Å; W275-P288 HydrophobicContact CH2-CG 3.75Å; W275-P288 HydrophobicContact CZ2-CG 4.11Å; W275-P288 HydrophobicContact CZ3-CG 3.6Å
276W66.6Low61Low48 Ų4880.9 Ų80.918%0.18239%0.391CS..EExtended strand (participates in β ladder)trans-108.1135-175.1-66.3-2.6000109.6F243 V267 E269 K270 S271 C278 L287 A289 L292F243-W276 HydrophobicContact CD1-CZ3 4.3Å; F243-W276 AromaticContact CE1-CZ3 3.9Å; F243-W276 HydrophobicContact CE1-CZ3 3.9Å; F243-W276 HydrophobicContact CZ-CZ3 4.07Å; V267-W276 HydrophobicContact CG1-CB 4.21Å; V267-W276 HydrophobicContact CG1-CD2 4.45Å; V267-W276 HydrophobicContact CG1-CE3 4.08Å; V267-W276 HydrophobicContact CG2-CE3 3.79Å; V267-W276 HydrophobicContact CG2-CZ3 4.4Å; E269-W276 CarbonylContact O-C 3.59Å; E269-W276 WeakPolarHBondContact O-CA 3.43Å; E269-W276 WeakPolarHBondContact O-CB 3.3Å; K270-W276 HydrophobicContact CD-CZ2 4.49Å; K270-W276 HydrophobicContact CG-CD2 4.1Å; K270-W276 HydrophobicContact CG-CE3 4.37Å; K270-W276 HydrophobicContact CG-CG 4.5Å; K270-W276 HydrophobicContact CG-CZ2 4.44Å; S271-W276 PolarHBondContact O-NE1 3.23Å; W276-C278 PolarHBondContact O-N 3.29Å; W276-C278 PolarHBondContact O-SG 3.13Å; W276-L287 PolarHBondContact N-O 2.85Å; W276-L287 PolarHBondContact O-N 3.5Å; W276-A289 HydrophobicContact CD2-CB 3.57Å; W276-A289 HydrophobicContact CE3-CB 4.14Å; W276-A289 HydrophobicContact CG-CB 3.89Å; W276-A289 HydrophobicContact CH2-CB 4.28Å; W276-A289 HydrophobicContact CZ2-CB 3.74Å; W276-A289 HydrophobicContact CZ3-CB 4.46Å; W276-L292 HydrophobicContact CB-CD1 4.31Å; W276-L292 HydrophobicContact CE3-CD1 3.8Å
277L58.3Low60.2Low47 Ų4778 Ų7825%0.24638%0.38CS..EExtended strand (participates in β ladder)trans-72.1117.5173.4-175.665.8000107.8L268 E269 L286L268-L277 HydrophobicContact CB-CD2 4.27Å; L268-L277 HydrophobicContact CB-CG 4.29Å; L268-L277 HydrophobicContact CD1-CD2 4.39Å; L268-L277 HydrophobicContact CD1-CG 4.37Å; L268-L277 PolarHBondContact N-O 3.34Å; E269-L277 HydrophobicContact CB-CB 3.82Å; E269-L277 HydrophobicContact CB-CD2 4.43Å; E269-L277 PolarHBondContact N-O 3.01Å; E269-L277 PolarHBondContact O-N 3.12Å; L277-L286 HydrophobicContact CB-CD2 4.26Å; L277-L286 HydrophobicContact CD1-CD2 4.32Å
278C65.8Low59.4Low0 Ų078.3 Ų78.30%038%0.382CS..EExtended strand (participates in β ladder)trans-125.4147.8-173-67.60000110.2L257 V265 R266 W276 E284 G285 L287 L292L257-C278 HydrophobicContact CD2-CB 4.24Å; L257-C278 WeakPolarHBondContact CD2-O 3.42Å; V265-C278 HydrophobicContact CB-CB 4.24Å; V265-C278 HydrophobicContact CG2-CB 4.33Å; R266-C278 CarbonylContact O-C 3.49Å; R266-C278 VanDerWaalsContact O-CA 3.29Å; R266-C278 WeakPolarHBondContact O-CA 3.49Å; W276-C278 PolarHBondContact O-N 3.29Å; W276-C278 PolarHBondContact O-SG 3.13Å; C278-E284 WeakPolarHBondContact O-CA 3.27Å; C278-G285 PolarHBondContact N-O 2.88Å; C278-G285 PolarHBondContact O-N 2.93Å; C278-G285 VanDerWaalsContact O-O 3.09Å; C278-L287 HydrophobicContact CB-CB 4.13Å; C278-L287 HydrophobicContact CB-CD1 3.69Å; C278-L287 HydrophobicContact CB-CG 4.34Å; C278-L292 WeakPolarHBondContact SG-CD1 3.39Å
279R69.1Low58.8Low65 Ų6576.3 Ų76.325%0.24538%0.375CS..EExtended strand (participates in β ladder)trans-110129.6172.4-170-177.7-63.1163.31.7109.9V265 R266 L268 G281 R283 E284V265-R279 WeakPolarHBondContact CA-O 3.43Å; R266-R279 HydrophobicContact CB-CB 4.39Å; R266-R279 PolarHBondContact N-O 3.14Å; R266-R279 PolarHBondContact O-N 3.1Å; L268-R279 HydrophobicContact CD1-CB 4.09Å; L268-R279 HydrophobicContact CD2-CB 4.47Å; L268-R279 HydrophobicContact CG-CB 4.25Å; R279-G281 WeakPolarHBondContact CG-O 3.35Å; R279-R283 CarbonylContact C-O 3.46Å; R279-R283 WeakPolarHBondContact CA-O 3.32Å; R279-E284 HydrophobicContact CB-CG 4.12Å; R279-E284 HydrophobicContact CG-CG 3.87Å; R279-E284 IonicContact CZ-OE1 3.15Å; R279-E284 IonicContact NE-OE1 3.92Å; R279-E284 PolarHBondContact NE-OE1 3.37Å; R279-E284 IonicContact NH2-OE1 2.97Å; R279-E284 PolarHBondContact NH2-OE1 2.98Å
280Y72Confident58.4Low45 Ų4575.7 Ų75.718%0.17638%0.379CS..EExtended strand (participates in β ladder)trans-127.5110.5172.9178.7-115.7000108.7D32 V259 A263 R264 V265 D282 R283D32-Y280 PolarHBondContact OD2-OH 3.14Å; V259-Y280 HydrophobicContact CG1-CD1 4.04Å; V259-Y280 HydrophobicContact CG1-CD2 4.48Å; V259-Y280 HydrophobicContact CG1-CG 3.88Å; A263-Y280 HydrophobicContact CB-CD2 3.98Å; A263-Y280 HydrophobicContact CB-CE2 3.6Å; R264-Y280 WeakPolarHBondContact O-CD2 3.47Å; V265-Y280 HydrophobicContact CG1-CD2 4.24Å; Y280-D282 PolarHBondContact O-N 2.91Å; Y280-R283 PolarHBondContact N-O 2.91Å; Y280-R283 PolarHBondContact O-N 3.37Å; Y280-R283 VanDerWaalsContact O-N 3.1Å
281G71.5Confident57.9Low59 Ų5970.8 Ų70.861%0.60836%0.358SS*.THydrogen-bonded Turntrans60.5-126.8-167.700000111R279R279-G281 WeakPolarHBondContact CG-O 3.35Å
282D68.6Low58.4Low170 Ų17069.5 Ų69.591%0.90935%0.348SS*.THydrogen-bonded Turntrans-92.64175.7-56-44.7000113.6Y280Y280-D282 PolarHBondContact O-N 2.91Å
283R58.6Low59.2Low194 Ų19465.9 Ų65.973%0.73232%0.323SS*.EExtended strand (participates in β ladder)trans-102.6135.2-177.7-60.9-178-175.3-128.1-0.6110.6L257 R279 Y280L257-R283 HydrophobicContact CD1-CB 3.67Å; R279-R283 CarbonylContact C-O 3.46Å; R279-R283 WeakPolarHBondContact CA-O 3.32Å; Y280-R283 PolarHBondContact N-O 2.91Å; Y280-R283 PolarHBondContact O-N 3.37Å; Y280-R283 VanDerWaalsContact O-N 3.1Å
284E73Confident60.1Low104 Ų10459.1 Ų59.149%0.48631%0.307SS..EExtended strand (participates in β ladder)trans-115.9143.9175.5-63.3-178.1176.900109.8L268 C278 R279L268-E284 HydrophobicContact CD1-CG 4Å; C278-E284 WeakPolarHBondContact O-CA 3.27Å; R279-E284 HydrophobicContact CB-CG 4.12Å; R279-E284 HydrophobicContact CG-CG 3.87Å; R279-E284 IonicContact CZ-OE1 3.15Å; R279-E284 IonicContact NE-OE1 3.92Å; R279-E284 PolarHBondContact NE-OE1 3.37Å; R279-E284 IonicContact NH2-OE1 2.97Å; R279-E284 PolarHBondContact NH2-OE1 2.98Å
285G65.2Low60.7Low5 Ų558.7 Ų58.75%0.05230%0.296CS..EExtended strand (participates in β ladder)trans176.8175.5172.600000111.8C278C278-G285 PolarHBondContact N-O 2.88Å; C278-G285 PolarHBondContact O-N 2.93Å; C278-G285 VanDerWaalsContact O-O 3.09Å
286L52.3Low60.7Low53 Ų5354.9 Ų54.928%0.27729%0.286SS..EExtended strand (participates in β ladder)trans-77.7134.3-176.1-64.5171.5000110.9D255 E256 L257 W275 L277D255-L286 HydrophobicContact CB-CD1 4.45Å; D255-L286 PolarHBondContact O-N 3.05Å; E256-L286 WeakPolarHBondContact CA-O 3.44Å; L257-L286 PolarHBondContact N-O 3.14Å; W275-L286 HydrophobicContact CE3-CB 4.03Å; L277-L286 HydrophobicContact CB-CD2 4.26Å; L277-L286 HydrophobicContact CD1-CD2 4.32Å
287L54.9Low60Low0 Ų053 Ų530%028%0.28CS..EExtended strand (participates in β ladder)trans-127136.9174.2-92.5166.9000110.9Y249 L257 V259 V265 W276 C278 A289 L292Y249-L287 HydrophobicContact CD1-CD2 3.39Å; Y249-L287 HydrophobicContact CE1-CD2 4.09Å; Y249-L287 HydrophobicContact CG-CD2 3.94Å; L257-L287 HydrophobicContact CB-CD1 4.34Å; L257-L287 HydrophobicContact CB-CG 4.14Å; L257-L287 HydrophobicContact CD2-CD1 3.8Å; L257-L287 HydrophobicContact CD2-CG 4.47Å; L257-L287 HydrophobicContact CG-CD1 4.38Å; L257-L287 WeakPolarHBondContact O-CD2 3.43Å; V259-L287 HydrophobicContact CB-CD1 4.47Å; V259-L287 HydrophobicContact CG1-CD1 3.74Å; V259-L287 HydrophobicContact CG2-CD1 3.9Å; V259-L287 HydrophobicContact CG2-CD2 3.62Å; V259-L287 HydrophobicContact CG2-CG 4.43Å; V265-L287 HydrophobicContact CB-CD1 4.43Å; V265-L287 HydrophobicContact CG1-CD1 3.93Å; V265-L287 HydrophobicContact CG2-CD1 4.4Å; W276-L287 PolarHBondContact N-O 2.85Å; W276-L287 PolarHBondContact O-N 3.5Å; C278-L287 HydrophobicContact CB-CB 4.13Å; C278-L287 HydrophobicContact CB-CD1 3.69Å; C278-L287 HydrophobicContact CB-CG 4.34Å; L287-A289 PolarHBondContact O-N 3.49Å; L287-L292 HydrophobicContact CB-CD1 4.29Å; L287-L292 HydrophobicContact CD1-CD2 4.37Å
288P51.2Low59.3Low14 Ų1451 Ų519%0.09127%0.27CS..EExtended strand (participates in β ladder)trans-60.7122.2173.8-22.232.1000111.1Y249 W275 V290 L291Y249-P288 HydrophobicContact CD2-CG 4.17Å; Y249-P288 HydrophobicContact CE1-CG 4.4Å; Y249-P288 HydrophobicContact CE2-CG 3.72Å; W275-P288 HydrophobicContact CD2-CG 4.32Å; W275-P288 HydrophobicContact CE3-CG 3.89Å; W275-P288 HydrophobicContact CH2-CG 3.75Å; W275-P288 HydrophobicContact CZ2-CG 4.11Å; W275-P288 HydrophobicContact CZ3-CG 3.6Å; P288-V290 HydrophobicContact CB-CG1 4.01Å; P288-V290 PolarHBondContact O-N 3.33Å; P288-V290 VanDerWaalsContact O-N 3.13Å; P288-L291 HydrophobicContact CB-CD1 4.14Å; P288-L291 HydrophobicContact CB-CG 4.16Å; P288-L291 HydrophobicContact CG-CD1 4.02Å; P288-L291 WeakPolarHBondContact O-CB 3.48Å; P288-L291 PolarHBondContact O-N 2.83Å
289A52.6Low58.7Low18 Ų1854.1 Ų54.115%0.14930%0.296CS..G310 helixtrans-57-31-179.400000112.7G274 W276 L287 L291 L292G274-A289 WeakPolarHBondContact O-CB 3.43Å; G274-A289 PolarHBondContact O-N 3.41Å; W276-A289 HydrophobicContact CD2-CB 3.57Å; W276-A289 HydrophobicContact CE3-CB 4.14Å; W276-A289 HydrophobicContact CG-CB 3.89Å; W276-A289 HydrophobicContact CH2-CB 4.28Å; W276-A289 HydrophobicContact CZ2-CB 3.74Å; W276-A289 HydrophobicContact CZ3-CB 4.46Å; L287-A289 PolarHBondContact O-N 3.49Å; A289-L291 PolarHBondContact O-N 3.24Å; A289-L292 PolarHBondContact O-N 3.42Å
290V55.8Low57.7Low113 Ų11356.7 Ų56.769%0.68531%0.314SS*.G310 helixtrans-61.2-24.2176.370.30000113.1P288P288-V290 HydrophobicContact CB-CG1 4.01Å; P288-V290 PolarHBondContact O-N 3.33Å; P288-V290 VanDerWaalsContact O-N 3.13Å
291L52.9Low56.7Low19 Ų1955.1 Ų55.110%0.09931%0.308CS..G310 helixtrans-86.7-12.1177.7-59.5179.1000111.5A245 S246 R247 Y249 P288 A289A245-L291 CarbonylContact C-O 3.53Å; A245-L291 WeakPolarHBondContact CA-O 3.26Å; S246-L291 WeakPolarHBondContact CB-O 3.43Å; S246-L291 PolarHBondContact N-O 3.3Å; S246-L291 PolarHBondContact OG-O 3.42Å; R247-L291 HydrophobicContact CB-CD2 4.32Å; Y249-L291 HydrophobicContact CD2-CD1 3.46Å; Y249-L291 VanDerWaalsContact CD2-CD1 3.46Å; Y249-L291 HydrophobicContact CE2-CD1 4.34Å; Y249-L291 HydrophobicContact CG-CD1 3.81Å; P288-L291 HydrophobicContact CB-CD1 4.14Å; P288-L291 HydrophobicContact CB-CG 4.16Å; P288-L291 HydrophobicContact CG-CD1 4.02Å; P288-L291 WeakPolarHBondContact O-CB 3.48Å; P288-L291 PolarHBondContact O-N 2.83Å; A289-L291 PolarHBondContact O-N 3.24Å
292L57.6Low55.5Low13 Ų1354.6 Ų54.67%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-98.8129.1-173.9-57.2-179.9000111.4F243 V265 V267 W276 C278 L287 A289F243-L292 HydrophobicContact CB-CB 4.17Å; F243-L292 HydrophobicContact CD1-CB 4.34Å; V265-L292 HydrophobicContact CG2-CD1 4.41Å; V265-L292 HydrophobicContact CG2-CD2 3.48Å; V265-L292 VanDerWaalsContact CG2-CD2 3.48Å; V267-L292 HydrophobicContact CG2-CD1 4.13Å; W276-L292 HydrophobicContact CB-CD1 4.31Å; W276-L292 HydrophobicContact CE3-CD1 3.8Å; C278-L292 WeakPolarHBondContact SG-CD1 3.39Å; L287-L292 HydrophobicContact CB-CD1 4.29Å; L287-L292 HydrophobicContact CD1-CD2 4.37Å; A289-L292 PolarHBondContact O-N 3.42Å
293R59.4Low54Low78 Ų7849.9 Ų49.929%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-118.9139.8174.5-68.7-153.4-80.8170.4-11.1111.4F243 C244 E295F243-R293 CarbonylContact C-O 3.57Å; F243-R293 VanDerWaalsContact CA-O 3.26Å; F243-R293 WeakPolarHBondContact CA-O 3.2Å; C244-R293 PolarHBondContact N-O 2.88Å; C244-R293 PolarHBondContact O-N 3.28Å; R293-E295 PolarHBondContact O-N 2.95Å
294P57Low53.2Low72 Ų7244.4 Ų44.447%0.46828%0.275SS..EExtended strand (participates in β ladder)trans-58.7131.5175.3-16.727.1000110.4F243 G296F243-P294 HydrophobicContact CD1-CB 4.47Å; F243-P294 HydrophobicContact CD1-CG 4.37Å; F243-P294 HydrophobicContact CE1-CB 4.29Å; F243-P294 HydrophobicContact CE1-CG 4.01Å; P294-G296 PolarHBondContact O-N 2.83Å; P294-G296 VanDerWaalsContact O-N 3.1Å
295E58Low51.4Low22 Ų2243.1 Ų43.110%0.10329%0.29CS..  trans-69.8105.3175.6-79.2-155.2118.100110.6Q242 C244 R264 R293 A299Q242-E295 PolarHBondContact O-N 2.79Å; Q242-E295 PolarHBondContact OE1-OE2 2.87Å; C244-E295 HydrophobicContact CB-CG 4.13Å; C244-E295 VanDerWaalsContact SG-CD 3.57Å; C244-E295 WeakPolarHBondContact SG-CG 3.17Å; C244-E295 PolarHBondContact SG-OE1 3.25Å; R264-E295 WeakPolarHBondContact CD-OE1 3.26Å; R264-E295 WeakPolarHBondContact CG-OE1 2.96Å; R264-E295 IonicContact CZ-OE2 2.74Å; R264-E295 IonicContact NE-OE1 3.6Å; R264-E295 PolarHBondContact NE-OE1 3.47Å; R264-E295 VanDerWaalsContact NE-OE1 3.15Å; R264-E295 IonicContact NE-OE2 3.86Å; R264-E295 PolarHBondContact NE-OE2 2.78Å; R264-E295 IonicContact NH2-OE2 3.48Å; R264-E295 PolarHBondContact NH2-OE2 2.9Å; R293-E295 PolarHBondContact O-N 2.95Å; E295-A299 WeakPolarHBondContact O-CB 3.42Å
296G54.4Low50Low14 Ų1449.8 Ų49.814%0.14432%0.318CS..Hα-helixtrans-75.3-62170.800000112.5P133 P294 L300P133-G296 VanDerWaalsContact O-CA 3.25Å; P133-G296 WeakPolarHBondContact O-CA 3.47Å; P294-G296 PolarHBondContact O-N 2.83Å; P294-G296 VanDerWaalsContact O-N 3.1Å; G296-L300 WeakPolarHBondContact O-CG 3.5Å; G296-L300 PolarHBondContact O-N 3.29Å
297L51.1Low49.2Very low9 Ų959 Ų595%0.04735%0.349CS..Hα-helixtrans-73.1-37.3-176.9-139.988.5000112.1A25 F37 R39 L135 L300 L301A25-L297 HydrophobicContact CB-CD2 4.15Å; F37-L297 HydrophobicContact CB-CD2 4.23Å; R39-L297 HydrophobicContact CG-CD2 3.94Å; L135-L297 HydrophobicContact CD1-CD1 4.15Å; L135-L297 HydrophobicContact CG-CD1 4.48Å; L297-L300 PolarHBondContact O-N 3.36Å; L297-L301 HydrophobicContact CD2-CD1 3.74Å; L297-L301 HydrophobicContact CG-CD1 3.87Å; L297-L301 WeakPolarHBondContact O-CB 3.4Å; L297-L301 VanDerWaalsContact O-CG 3.25Å; L297-L301 WeakPolarHBondContact O-CG 3.13Å; L297-L301 PolarHBondContact O-N 3.44Å
298G45.5Very low48Very low3 Ų362.3 Ų62.33%0.03138%0.383CS..Hα-helixtrans-64.8-40.4179.700000113L300 L301 S302G298-L300 PolarHBondContact O-N 3.06Å; G298-L301 PolarHBondContact O-N 3.28Å; G298-S302 WeakPolarHBondContact O-CB 3.36Å; G298-S302 PolarHBondContact O-N 3.26Å; G298-S302 PolarHBondContact O-OG 3.24Å
299A51.4Low47Very low66 Ų6664.7 Ų64.755%0.54541%0.41SS..Hα-helixtrans-67.4-34.717500000112.7E295E295-A299 WeakPolarHBondContact O-CB 3.42Å
300L49.7Very low45.8Very low119 Ų11971.6 Ų71.662%0.62345%0.445SS*.Hα-helixtrans-72.1-30.2176.8-69.9171.9000113.1G296 L297 G298G296-L300 WeakPolarHBondContact O-CG 3.5Å; G296-L300 PolarHBondContact O-N 3.29Å; L297-L300 PolarHBondContact O-N 3.36Å; G298-L300 PolarHBondContact O-N 3.06Å
301L51.1Low44.4Very low12 Ų1274.1 Ų74.16%0.06345%0.454CS..Hα-helixtrans-103.1-18.5-174.1-62173.6000113.8A13 A14 F37 L143 L297 G298 T304A13-L301 HydrophobicContact CB-CD1 4.18Å; A14-L301 HydrophobicContact CB-CD2 4.27Å; F37-L301 HydrophobicContact CD1-CB 4.13Å; F37-L301 HydrophobicContact CD1-CD1 3.47Å; F37-L301 VanDerWaalsContact CD1-CD1 3.47Å; F37-L301 HydrophobicContact CD1-CG 4.45Å; F37-L301 HydrophobicContact CE1-CB 3.58Å; F37-L301 HydrophobicContact CE1-CD1 3.77Å; F37-L301 HydrophobicContact CE1-CG 4.31Å; F37-L301 HydrophobicContact CE2-CB 4.26Å; F37-L301 HydrophobicContact CG-CD1 4.02Å; F37-L301 HydrophobicContact CZ-CB 3.66Å; L143-L301 HydrophobicContact CD2-CD2 3.29Å; L297-L301 HydrophobicContact CD2-CD1 3.74Å; L297-L301 HydrophobicContact CG-CD1 3.87Å; L297-L301 WeakPolarHBondContact O-CB 3.4Å; L297-L301 VanDerWaalsContact O-CG 3.25Å; L297-L301 WeakPolarHBondContact O-CG 3.13Å; L297-L301 PolarHBondContact O-N 3.44Å; G298-L301 PolarHBondContact O-N 3.28Å; L301-T304 PolarHBondContact O-OG1 3.43Å
302S45.2Very low43.4Very low48 Ų4879.1 Ų79.134%0.33649%0.488SS..THydrogen-bonded Turntrans-83.7-9.2-179.6-58.20000114.1R264 G298 T304R264-S302 PolarHBondContact NH2-OG 2.78Å; G298-S302 WeakPolarHBondContact O-CB 3.36Å; G298-S302 PolarHBondContact O-N 3.26Å; G298-S302 PolarHBondContact O-OG 3.24Å; S302-T304 PolarHBondContact O-N 3.46Å
303G37.5Very low42Very low71 Ų7183.7 Ų83.773%0.73253%0.528SS*.THydrogen-bonded Turntrans-72.5-7.2175.800000114.4
304T41.6Very low40.4Very low80 Ų8083.4 Ų83.449%0.49155%0.549SS..SBendtrans-114.676.7-173.959.30000111.2L301 S302 F306L301-T304 PolarHBondContact O-OG1 3.43Å; S302-T304 PolarHBondContact O-N 3.46Å; T304-F306 VanDerWaalsContact O-CD2 3.23Å; T304-F306 WeakPolarHBondContact O-CD2 3.46Å; T304-F306 PolarHBondContact O-N 2.93Å
305G34.6Very low38.9Very low77 Ų7789.7 Ų89.779%0.79457%0.572SS**  trans69.26.2142.500000121.7R307G305-R307 PolarHBondContact O-N 3.35Å
306F36.7Very low37.3Very low145 Ų14593.2 Ų93.264%0.63660%0.604SS**  trans-84.175.8177.3-73.1-80.6000112.3T304T304-F306 VanDerWaalsContact O-CD2 3.23Å; T304-F306 WeakPolarHBondContact O-CD2 3.46Å; T304-F306 PolarHBondContact O-N 2.93Å
307R36Very low35.9Very low246 Ų246104.9 Ų104.993%0.92864%0.644SS**  trans-120.284.5168.7-142.2178.3-174.1-119.8-3109G305G305-R307 PolarHBondContact O-N 3.35Å
308G28.4Very low34.5Very low70 Ų70107.7 Ų107.772%0.72268%0.675SS**  trans-79.4123.7166.100000108.5
309G29.8Very low33.5Very low64 Ų64113.2 Ų113.266%0.6671%0.713SS**  trans-68.5154.4179.900000113.1
310D28.1Very low32.2Very low162 Ų162121.9 Ų121.987%0.86673%0.732SS**  169.4111.1115-79.7-25.5000108.1
311D27.5Very low31Very low167 Ų167125.2 Ų125.289%0.89374%0.744SS**  trans-114.7123.8167.8-84.7-55.3000108.1
312P30.7Very low29.6Very low123 Ų123128.9 Ų128.980%0.79978%0.776SS**  trans-89.4144.6165.133.3-26.4000111.1
313A28.8Very low28.6Very low110 Ų110132.5 Ų132.591%0.90980%0.802SS**  trans-62.9157.1-174.700000115.4
314G24.7Very low28.1Very low71 Ų71138.6 Ų138.673%0.73281%0.811SS**  trans-179.385.2167.600000115.8
315E25.3Very low27.3Very low205 Ų205139.6 Ų139.696%0.95883%0.828SS**  trans61.3121.2142.9-68.9178.9119.100123.1
316A26.2Very low27.2Very low95 Ų95143 Ų14379%0.78583%0.833SS**  trans-93.3149.316900000112.4
317R24.9Very low26.8Very low260 Ų260140.2 Ų140.298%0.98184%0.837SS**  trans179.5131.6153-97.5165.6-169.1-153.75.5106.2
318G22Very low26.6Very low68 Ų68134.2 Ų134.270%0.70183%0.83SS**  cis-175147.4-2.100000108.9
319S23.7Very low26.7Very low118 Ų118136.5 Ų136.583%0.82583%0.832SS**  trans34.8125.7148.3-38.30000122.5
320R24.7Very low26.7Very low248 Ų248139.4 Ų139.494%0.93684%0.839SS**  -170.6141.7110-107.5173.3162.5166.2-4.7113.7
321E22.8Very low27Very low189 Ų189138.4 Ų138.488%0.88384%0.839SS**  trans-64.5154.1-178.4-71.3155.7113.400114.7
322A22.3Very low27.3Very low89 Ų89134.2 Ų134.274%0.73682%0.819SS**  -174.6126.5117.500000113.1
323S25.1Very low27.3Very low124 Ų124132.9 Ų132.987%0.86781%0.811SS**  trans76.5117135.6-55.40000121.4
324Q27.4Very low27.6Very low200 Ų200134.3 Ų134.394%0.93581%0.808SS**  trans-63.3142.6171.6-67.4163.8-9.300112.8
325A24.3Very low27.8Very low101 Ų101136.9 Ų136.984%0.83580%0.796SS**  trans-147.8125.3149.500000110.1
326T31.6Very low28.1Very low148 Ų148130.4 Ų130.491%0.90877%0.772SS**  trans-57.1135179.2-55.70000112.9
327A28.3Very low28.9Very low87 Ų87129.6 Ų129.672%0.71976%0.76SS**  trans-118.5142.3173.600000112
328P33Very low29.6Very low119 Ų119122.1 Ų122.177%0.77375%0.745SS**PPolyproline II helixtrans-81.4166-172.433.3-35.6000114.4
329P30.8Very low30.5Very low118 Ų118121.4 Ų121.477%0.76674%0.738SS**PPolyproline II helixtrans-72.6151.1-17128.6-35.5000114.6
330P29.7Very low31.2Very low126 Ų126118.4 Ų118.482%0.81872%0.721SS**PPolyproline II helixtrans-79.1142.1-17731.2-34.6000114
331T32.6Very low32.1Very low140 Ų140109.4 Ų109.486%0.85969%0.691SS**PPolyproline II helixtrans-77.7135.7-175.2-44.20000113.4
332V34.2Very low32.9Very low80 Ų80106.1 Ų106.149%0.48568%0.675SS.*PPolyproline II helixtrans-77.3130.5-178.1179.60000112.2Y219Y219-V332 HydrophobicContact CE2-CG2 4.44Å
333P31.8Very low33.9Very low94 Ų94106 Ų10661%0.6167%0.669SS**PPolyproline II helixtrans-73.3140.7171.9-1428.3000113
334T34.5Very low34.7Very low141 Ų141110.8 Ų110.887%0.86567%0.668SS**PPolyproline II helixtrans-68135.6-17880000113.2P336T334-P336 WeakPolarHBondContact O-CD 3.44Å
335R28.4Very low35.1Very low124 Ų124103.1 Ų103.147%0.46864%0.636SS.*PPolyproline II helixtrans-67.7122.8-177.6178-175-99.2-160.7-9.1111.7W202W202-R335 HydrophobicContact CH2-CB 4.47Å; W202-R335 HydrophobicContact CZ2-CB 3.95Å; W202-R335 HydrophobicContact CZ2-CG 4.29Å
336P32.5Very low35.8Very low70 Ų70102.8 Ų102.846%0.45563%0.626SS.*PPolyproline II helixtrans-75154.7171.528.6-31.7000112.4T334T334-P336 WeakPolarHBondContact O-CD 3.44Å
337S41.6Very low36.4Very low78 Ų78100.9 Ų100.955%0.54562%0.615SS.*PPolyproline II helixtrans-72.8150.9-169.964.90000114.1G339 A340S337-G339 PolarHBondContact O-N 3.28Å; S337-G339 VanDerWaalsContact O-N 3.1Å; S337-A340 PolarHBondContact O-N 3.05Å
338P40.9Very low36.9Very low102 Ų102102.3 Ų102.366%0.66261%0.614SS**Hα-helixtrans-59.6-26.6-173.2-2332.4000114.8A340 I341P338-A340 PolarHBondContact O-N 3.15Å; P338-I341 PolarHBondContact O-N 2.93Å
339G40.9Very low37.4Very low54 Ų5499.4 Ų99.456%0.55759%0.594SS**Hα-helixtrans-70.9-27-178.700000114.1S337 I341S337-G339 PolarHBondContact O-N 3.28Å; S337-G339 VanDerWaalsContact O-N 3.1Å; G339-I341 VanDerWaalsContact C-N 3.31Å; G339-I341 PolarHBondContact O-N 2.93Å
340A39Very low38.1Very low55 Ų5599.7 Ų99.746%0.45558%0.58SS.*Hα-helixtrans-74.4-23.8179.900000112.8S337 P338 S343S337-A340 PolarHBondContact O-N 3.05Å; P338-A340 PolarHBondContact O-N 3.15Å; A340-S343 PolarHBondContact O-OG 3.35Å; A340-S343 VanDerWaalsContact O-OG 3.12Å
341I41.7Very low38.6Very low59 Ų59103 Ų10330%0.30358%0.576SS.*Hα-helixtrans-80.7-32.9-177.5-57.7172.4000110.8P338 G339 S343 R344 C345P338-I341 PolarHBondContact O-N 2.93Å; G339-I341 VanDerWaalsContact C-N 3.31Å; G339-I341 PolarHBondContact O-N 2.93Å; I341-S343 VanDerWaalsContact C-N 3.31Å; I341-S343 PolarHBondContact O-N 3.4Å; I341-R344 PolarHBondContact O-N 2.91Å; I341-C345 PolarHBondContact O-SG 2.84Å
342Q41.6Very low39Very low120 Ų120100 Ų10056%0.56157%0.565SS**Hα-helixtrans-71.5-21.7-179.3-69.7-177.8500113.9R344Q342-R344 VanDerWaalsContact C-N 3.33Å; Q342-R344 PolarHBondContact O-N 3.49Å
343S42.9Very low39.3Very low85 Ų85101.3 Ų101.359%0.59457%0.569SS**THydrogen-bonded Turntrans-78.1-15.6-179.5700000114A340 I341A340-S343 PolarHBondContact O-OG 3.35Å; A340-S343 VanDerWaalsContact O-OG 3.12Å; I341-S343 VanDerWaalsContact C-N 3.31Å; I341-S343 PolarHBondContact O-N 3.4Å
344R41Very low39.8Very low226 Ų226102.6 Ų102.685%0.85357%0.567SS**SBendtrans-1192.9-173.3-77.6-176.1163.3-117.5-0.6115.4I341 Q342I341-R344 PolarHBondContact O-N 2.91Å; Q342-R344 VanDerWaalsContact C-N 3.33Å; Q342-R344 PolarHBondContact O-N 3.49Å
345C35.8Very low40Very low38 Ų38106.6 Ų106.626%0.25757%0.566SS.*  trans-81.4137177.3-72.80000112.1I341I341-C345 PolarHBondContact O-SG 2.84Å
346C39.6Very low40.3Very low94 Ų94111.4 Ų111.464%0.63558%0.584SS**  trans-63.1159.7174-63.80000111.8V348 T349 R350C346-V348 PolarHBondContact O-N 2.82Å; C346-T349 PolarHBondContact N-OG1 3.47Å; C346-T349 PolarHBondContact O-N 2.95Å; C346-T349 PolarHBondContact O-OG1 3.05Å; C346-R350 PolarHBondContact O-N 3.08Å; C346-R350 VanDerWaalsContact O-N 3.12Å
347T42.7Very low40.4Very low109 Ų109114.4 Ų114.467%0.66960%0.603SS**Hα-helixtrans-54-26.8-177.342.60000114.5R350 R351T347-R350 PolarHBondContact O-N 3.05Å; T347-R351 PolarHBondContact O-N 3.31Å
348V40.4Very low39.9Very low117 Ų117113.9 Ų113.971%0.70961%0.611SS**Hα-helixtrans-67.5-46.9175.4178.10000111.6C346 R350 R351 A352C346-V348 PolarHBondContact O-N 2.82Å; V348-R350 VanDerWaalsContact C-N 3.34Å; V348-R351 PolarHBondContact O-N 3.16Å; V348-A352 PolarHBondContact O-N 2.91Å; V348-A352 VanDerWaalsContact O-N 3.11Å
349T43.8Very low39.6Very low57 Ų57120.6 Ų120.635%0.3562%0.623SS.*Hα-helixtrans-67.2-32.6173.98.30000112.5C346 A352 L353C346-T349 PolarHBondContact N-OG1 3.47Å; C346-T349 PolarHBondContact O-N 2.95Å; C346-T349 PolarHBondContact O-OG1 3.05Å; T349-A352 PolarHBondContact O-N 3.49Å; T349-L353 WeakPolarHBondContact O-CB 3.49Å; T349-L353 WeakPolarHBondContact O-CD1 3.38Å; T349-L353 WeakPolarHBondContact O-CG 3.09Å; T349-L353 PolarHBondContact O-N 3.44Å; T349-L353 VanDerWaalsContact O-N 3.08Å
350R44Very low39.1Very low124 Ų124127.5 Ų127.547%0.46864%0.64SS.*Hα-helixtrans-63.7-45.6172.7-124.6-174.3-169.4118.8-1.7111.2C346 T347 V348 A352 L353 E354C346-R350 PolarHBondContact O-N 3.08Å; C346-R350 VanDerWaalsContact O-N 3.12Å; T347-R350 PolarHBondContact O-N 3.05Å; V348-R350 VanDerWaalsContact C-N 3.34Å; R350-A352 VanDerWaalsContact C-N 3.33Å; R350-A352 PolarHBondContact O-N 3.12Å; R350-L353 CarbonylContact O-C 3.55Å; R350-L353 PolarHBondContact O-N 3.04Å; R350-E354 VanDerWaalsContact O-CB 3.22Å; R350-E354 WeakPolarHBondContact O-CB 3.34Å; R350-E354 WeakPolarHBondContact O-CG 3.47Å; R350-E354 PolarHBondContact O-N 3.1Å
351R41.4Very low38.7Very low197 Ų197128.2 Ų128.274%0.74365%0.653SS**Hα-helixtrans-65.4-30.5175.8-82.5-176174.4-178.3-1.4114.2T347 V348T347-R351 PolarHBondContact O-N 3.31Å; V348-R351 PolarHBondContact O-N 3.16Å
352A40.3Very low38.8Very low75 Ų75131.2 Ų131.262%0.6268%0.677SS**Hα-helixtrans-70.6-36.5172.900000112.1V348 T349 R350V348-A352 PolarHBondContact O-N 2.91Å; V348-A352 VanDerWaalsContact O-N 3.11Å; T349-A352 PolarHBondContact O-N 3.49Å; R350-A352 VanDerWaalsContact C-N 3.33Å; R350-A352 PolarHBondContact O-N 3.12Å
353L40.4Very low38.2Very low109 Ų109130 Ų13057%0.57168%0.681SS**Hα-helixtrans-79.3-24.8175.1-73.7163.3000113.6T349 R350 R355T349-L353 WeakPolarHBondContact O-CB 3.49Å; T349-L353 WeakPolarHBondContact O-CD1 3.38Å; T349-L353 WeakPolarHBondContact O-CG 3.09Å; T349-L353 PolarHBondContact O-N 3.44Å; T349-L353 VanDerWaalsContact O-N 3.08Å; R350-L353 CarbonylContact O-C 3.55Å; R350-L353 PolarHBondContact O-N 3.04Å; L353-R355 VanDerWaalsContact C-N 3.33Å; L353-R355 PolarHBondContact O-N 3.37Å
354E42.1Very low37.6Very low120 Ų120135.3 Ų135.356%0.56170%0.697SS**THydrogen-bonded Turntrans-85.85.1-178.3-78.8170.1-17400114R350 R356R350-E354 VanDerWaalsContact O-CB 3.22Å; R350-E354 WeakPolarHBondContact O-CB 3.34Å; R350-E354 WeakPolarHBondContact O-CG 3.47Å; R350-E354 PolarHBondContact O-N 3.1Å; E354-R356 PolarHBondContact O-N 3.25Å
355R39.7Very low37Very low226 Ų226128.2 Ų128.285%0.85369%0.694SS**  trans-71.662.8160.9-72-163.7-179.4-139.53.7110.2L353 P357L353-R355 VanDerWaalsContact C-N 3.33Å; L353-R355 PolarHBondContact O-N 3.37Å; R355-P357 WeakPolarHBondContact O-CD 2.99Å
356R33.8Very low36.6Very low225 Ų225132.1 Ų132.185%0.84972%0.72SS**  trans-78.9122.6159.5-79.4-172.4171.5-169.4-2.2107.9E354 G358E354-R356 PolarHBondContact O-N 3.25Å; R356-G358 PolarHBondContact O-N 2.6Å
357P33.8Very low36.3Very low132 Ų132134.7 Ų134.786%0.85773%0.733SS**  trans-81.5107.2153.930.4-22.7000107.7R355R355-P357 WeakPolarHBondContact O-CD 2.99Å
358G32.9Very low36Very low68 Ų68136 Ų13670%0.70174%0.736SS**  trans-120.3131.6146.300000105.1R356R356-G358 PolarHBondContact O-N 2.6Å
359R34.4Very low35.8Very low242 Ų242136.7 Ų136.791%0.91374%0.743SS**  cis-155.7149.317.8-80.1171157.4-172.1-5.2106.3
360Q28.9Very low35.4Very low199 Ų199139.2 Ų139.293%0.9376%0.758SS**  trans-170.9117.2133-103.2169.149.200107.7
361G32.4Very low35.4Very low70 Ų70138.7 Ų138.772%0.72277%0.77SS**  trans-75.8-173.7153.900000109.5
362P42.2Very low35.2Very low123 Ų123135 Ų13580%0.79977%0.769SS**  cis-138.5-169.223.937.5-15.7000115.1
363S29.3Very low35.5Very low94 Ų94137 Ų13766%0.65778%0.776SS**  trans79118.5149.859.40000123
364Q31.1Very low35.3Very low196 Ų196140.3 Ų140.392%0.91679%0.788SS**  76.5132.1127.1-76.4179-33.700121.7
365G27.3Very low35.7Very low77 Ų77139.5 Ų139.579%0.79479%0.794SS**  trans15877.4159.100000114.1
366C28.6Very low35.5Very low120 Ų120134.6 Ų134.681%0.81179%0.789SS**  trans-56.6152.8170.8-53.80000113.1
367V32.8Very low35.6Very low148 Ų148128.6 Ų128.690%0.89778%0.777SS**  -165.1127.8115.1-120.30000111.6
368D36.7Very low35.9Very low138 Ų138130.4 Ų130.474%0.73878%0.775SS**  trans-62.9167.8159-70.2-63.8000111.4
369P36.5Very low36.2Very low130 Ų130141.7 Ų141.784%0.84480%0.796SS**  -141.9138.996.332.2-14.7000115.6
370V35.2Very low36.3Very low110 Ų110136.7 Ų136.767%0.66779%0.79SS**  trans-89.3153.8157.4178.90000106.1V372V370-V372 HydrophobicContact CG1-CG2 4.21Å
371P44Very low36.7Very low113 Ų113133.4 Ų133.473%0.73478%0.783SS**  cis-150.2152.848.827.7-0.5000121.2
372V36.5Very low36.9Very low119 Ų119136.9 Ų136.972%0.72179%0.786SS**  50139.7120.1-157.20000117.3V370V370-V372 HydrophobicContact CG1-CG2 4.21Å
373P46.2Very low36.6Very low119 Ų119137.7 Ų137.777%0.77379%0.785SS**  cis-148.2156.34741.1-18.8000120.6
374H37.4Very low37Very low177 Ų177140.4 Ų140.482%0.81979%0.793SS**  trans-74.3162.6152.4-64.9-84.8000109.6
375P49.3Very low37.4Very low104 Ų104136.7 Ų136.768%0.67579%0.785SS**  -149.8167.684.335.6-15.2000115.8
376T35.8Very low38.2Very low123 Ų123141 Ų14176%0.75578%0.784SS**  trans70.5140.7141.846.80000118.2
377T36.9Very low38.9Very low98 Ų98142.6 Ų142.660%0.60178%0.782SS**  cis-179.6147.37.2-88.10000107.5
378E39.5Very low39.4Very low171 Ų171142.2 Ų142.280%0.79977%0.773SS**  trans57141.2156.5-70.8170.1141.700118.9
379R38.9Very low39.7Very low304 Ų304142.5 Ų142.5100%1.14778%0.776SS**  cis-160.2032.9-146.6177.4-165.4-163.73.2110.7

Retrieved 379 of 379 residues in 115.8 ms (Link to these results)

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