A0A087X257_HUMAN Loading...

Phosphoinositide-3-kinase regulatory subunit 2

AlphaFold DB , UniProt , Accession A0A087X257, Species HUMAN (Homo sapiens, Human), Gene PIK3R2, Length 223 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
1M43.7Very low83.3Confident242 Ų24261.6 Ų61.6100%1.19235%0.345SS*.  0127.40-74.8168.8163.900107.8G3M1-G3 PolarHBondContact O-N 3.32Å
2A63.7Low84.6Confident99 Ų9962.4 Ų62.482%0.81835%0.347SS*.PPolyproline II helixtrans-62.6130.3173.300000108.5
3G64.7Low85.5Confident38 Ų3866.5 Ų66.539%0.39236%0.355SS..PPolyproline II helixtrans-64164.5176.400000111.5M1 E5M1-G3 PolarHBondContact O-N 3.32Å; G3-E5 PolarHBondContact O-N 3.19Å
4P76.6Confident86.4Confident49 Ų4966.5 Ų66.532%0.31836%0.36SS..PPolyproline II helixtrans-58132.9179.526.3-34.8000110.8F7 R35 P80P4-F7 HydrophobicContact CG-CE1 4.24Å; P4-F7 HydrophobicContact CG-CZ 4.45Å; P4-R35 VanDerWaalsContact O-CD 3.25Å; P4-R35 WeakPolarHBondContact O-CD 3.38Å; P4-P80 HydrophobicContact CB-CB 3.49Å; P4-P80 VanDerWaalsContact CB-CB 3.49Å; P4-P80 HydrophobicContact CG-CB 4.08Å
5E87.5Confident87.1Confident77 Ų7763.1 Ų63.136%0.3634%0.341SS..SBendtrans-80.9-23.3-177.9-60.9-163.8177.500111.9G3 R35 V81 L83G3-E5 PolarHBondContact O-N 3.19Å; E5-R35 WeakPolarHBondContact O-CB 3.46Å; E5-R35 PolarHBondContact O-N 3.2Å; E5-V81 PolarHBondContact N-O 3.34Å; E5-L83 HydrophobicContact CB-CB 3.88Å; E5-L83 HydrophobicContact CB-CD1 4.17Å; E5-L83 HydrophobicContact CB-CG 3.9Å; E5-L83 WeakPolarHBondContact O-CD1 3.42Å
6G93Very high87.6Confident0 Ų071.9 Ų71.90%037%0.368CS..EExtended strand (participates in β ladder)trans-158.9-173175.400000113.3V33 P80 V81G6-V33 CarbonylContact C-O 3.58Å; G6-V33 WeakPolarHBondContact CA-O 3.35Å; G6-P80 WeakPolarHBondContact O-CA 3.33Å; G6-V81 PolarHBondContact N-O 3.37Å; G6-V81 PolarHBondContact O-N 3.24Å
7F95.9Very high88Confident8 Ų874.2 Ų74.24%0.03537%0.371CS..EExtended strand (participates in β ladder)trans-134.6149.1-178.1-57-73.6000110.3P4 Y9 V33 R35 L38 E48 F77 G79 P80P4-F7 HydrophobicContact CG-CE1 4.24Å; P4-F7 HydrophobicContact CG-CZ 4.45Å; F7-Y9 HydrophobicContact CB-CE2 3.9Å; F7-V33 PolarHBondContact N-O 2.81Å; F7-V33 PolarHBondContact O-N 3.18Å; F7-R35 HydrophobicContact CE2-CB 4.17Å; F7-R35 HydrophobicContact CE2-CG 4.18Å; F7-L38 HydrophobicContact CD2-CD1 3.54Å; F7-L38 HydrophobicContact CE2-CD1 3.89Å; F7-E48 HydrophobicContact CD1-CB 4.25Å; F7-E48 HydrophobicContact CD1-CG 3.74Å; F7-E48 HydrophobicContact CD2-CB 3.99Å; F7-E48 HydrophobicContact CD2-CG 4.29Å; F7-E48 HydrophobicContact CE1-CB 4.31Å; F7-E48 HydrophobicContact CE1-CG 3.56Å; F7-E48 HydrophobicContact CE2-CB 4.03Å; F7-E48 HydrophobicContact CE2-CG 4.11Å; F7-E48 HydrophobicContact CG-CB 4.08Å; F7-E48 HydrophobicContact CG-CG 4.1Å; F7-E48 HydrophobicContact CZ-CB 4.18Å; F7-E48 HydrophobicContact CZ-CG 3.74Å; F7-F77 HydrophobicContact CB-CE2 4.06Å; F7-F77 AromaticContact CD1-CE2 3.86Å; F7-F77 HydrophobicContact CD1-CE2 3.86Å; F7-F77 HydrophobicContact CD1-CZ 4.25Å; F7-F77 HydrophobicContact CG-CE2 4.25Å; F7-G79 WeakPolarHBondContact CA-O 3.19Å; F7-P80 HydrophobicContact CD1-CB 4.23Å; F7-P80 HydrophobicContact CE1-CB 4.31Å
8Q97Very high88.4Confident48 Ų4878.6 Ų78.622%0.22439%0.39CS..EExtended strand (participates in β ladder)trans-108.4141.1177.3-76.7178.189.600111V30 L31 V32 L78 G79 V81Q8-V30 HydrophobicContact CG-CG1 4.38Å; Q8-L31 CarbonylContact C-O 3.46Å; Q8-L31 WeakPolarHBondContact CA-O 3.1Å; Q8-V32 HydrophobicContact CG-CG2 4.27Å; Q8-L78 HydrophobicContact CB-CB 4.04Å; Q8-L78 HydrophobicContact CB-CD1 4.36Å; Q8-L78 PolarHBondContact O-N 3.17Å; Q8-G79 PolarHBondContact N-O 3.19Å; Q8-G79 PolarHBondContact O-N 3.42Å; Q8-V81 HydrophobicContact CG-CB 3.83Å; Q8-V81 HydrophobicContact CG-CG1 3.86Å; Q8-V81 HydrophobicContact CG-CG2 4.28Å
9Y98Very high88.7Confident0 Ų079.9 Ų79.90%039%0.39CS..EExtended strand (participates in β ladder)trans-130.3153174.5-58.7-91.1000109.8F7 V30 L31 V33 E48 P51 M57 V75 E76 F77F7-Y9 HydrophobicContact CB-CE2 3.9Å; Y9-V30 CarbonylContact O-C 3.58Å; Y9-V30 WeakPolarHBondContact O-CA 3.4Å; Y9-L31 PolarHBondContact N-O 3.14Å; Y9-L31 PolarHBondContact O-N 2.9Å; Y9-V33 HydrophobicContact CD2-CB 4.3Å; Y9-V33 HydrophobicContact CD2-CG2 3.7Å; Y9-V33 HydrophobicContact CE2-CB 3.86Å; Y9-V33 HydrophobicContact CE2-CG2 3.63Å; Y9-E48 WeakPolarHBondContact CE1-O 3.47Å; Y9-E48 PolarHBondContact OH-O 2.83Å; Y9-P51 HydrophobicContact CD1-CB 3.97Å; Y9-P51 HydrophobicContact CD1-CG 4.13Å; Y9-P51 HydrophobicContact CE1-CB 3.71Å; Y9-P51 HydrophobicContact CE1-CG 4.05Å; Y9-M57 HydrophobicContact CE1-CE 4.34Å; Y9-V75 HydrophobicContact CD1-CG2 3.82Å; Y9-V75 HydrophobicContact CG-CG2 4.07Å; Y9-E76 CarbonylContact C-O 3.58Å; Y9-E76 WeakPolarHBondContact CA-O 3.37Å; Y9-E76 WeakPolarHBondContact CB-O 3.33Å; Y9-F77 HydrophobicContact CD1-CB 4.15Å; Y9-F77 HydrophobicContact CD1-CD2 4.27Å; Y9-F77 HydrophobicContact CE1-CB 4.02Å; Y9-F77 AromaticContact CE1-CD2 3.67Å; Y9-F77 HydrophobicContact CE1-CD2 3.67Å; Y9-F77 HydrophobicContact CE1-CG 4.35Å; Y9-F77 AromaticContact CZ-CD2 3.97Å
10R98.3Very high89Confident115 Ų11582.5 Ų82.543%0.43441%0.413SS..EExtended strand (participates in β ladder)trans-117.2128.1174.1-174.8171174.2-135.14.9109.9L12 D29 V75 E76 L78R10-L12 PolarHBondContact O-N 3.33Å; R10-D29 CarbonylContact C-O 3.45Å; R10-D29 WeakPolarHBondContact CA-O 3.42Å; R10-V75 CarbonylContact O-C 3.54Å; R10-V75 WeakPolarHBondContact O-CA 3.21Å; R10-V75 WeakPolarHBondContact O-CB 3.43Å; R10-E76 HydrophobicContact CB-CG 3.78Å; R10-E76 WeakPolarHBondContact CD-OE1 3.41Å; R10-E76 PolarHBondContact N-O 3.14Å; R10-E76 IonicContact NH1-OE1 3.68Å; R10-E76 PolarHBondContact NH1-OE1 3.42Å; R10-E76 PolarHBondContact O-N 2.9Å; R10-L78 HydrophobicContact CB-CD1 3.93Å; R10-L78 HydrophobicContact CB-CD2 3.93Å; R10-L78 HydrophobicContact CB-CG 3.92Å
11A98.2Very high89.3Confident2 Ų282.6 Ų82.62%0.01741%0.412CS..EExtended strand (participates in β ladder)trans-69.8130.3175.800000110.6L25 L26 P27 G28 D29 V75A11-L25 HydrophobicContact CB-CB 4.14Å; A11-L25 HydrophobicContact CB-CD1 4.34Å; A11-L26 VanDerWaalsContact CB-O 3.27Å; A11-L26 WeakPolarHBondContact CB-O 3.43Å; A11-P27 WeakPolarHBondContact O-CA 3.41Å; A11-G28 PolarHBondContact O-N 2.79Å; A11-D29 HydrophobicContact CB-CB 4.15Å; A11-D29 PolarHBondContact N-O 2.97Å; A11-V75 HydrophobicContact CB-CG1 4.46Å
12L98.1Very high91.8Very high71 Ų7171.3 Ų71.337%0.37236%0.356SS..  trans-94.5-32176.9-63.9177.5000111.6R10 Y74 E76R10-L12 PolarHBondContact O-N 3.33Å; L12-Y74 PolarHBondContact N-O 2.71Å; L12-E76 HydrophobicContact CD1-CB 4.21Å; L12-E76 HydrophobicContact CD2-CB 4.34Å; L12-E76 HydrophobicContact CD2-CG 3.92Å; L12-E76 HydrophobicContact CG-CB 4.33Å; L12-E76 HydrophobicContact CG-CG 4.3Å
13Y97.1Very high93.4Very high116 Ų11666.7 Ų66.746%0.45532%0.318SS..SBendtrans-129.1150.5-173.2-54.7-70.6000111.2
14P97.3Very high94.9Very high66 Ų6668.1 Ų68.143%0.42932%0.315SS..  trans-68139.2172.129.5-32.6000110.3L25P14-L25 CarbonylContact C-O 3.55Å; P14-L25 VanDerWaalsContact CA-O 3.28Å; P14-L25 WeakPolarHBondContact CA-O 3.48Å
15F97.3Very high95.9Very high16 Ų1665.9 Ų65.97%0.0730%0.3CS..BIsolated β-bridgetrans-133.9121.6173.8174.9-106.2000109.2E18 D22 L23 E24 L25 W56 P71 Y74F15-E18 HydrophobicContact CZ-CG 4.38Å; F15-D22 HydrophobicContact CE1-CB 4.2Å; F15-L23 WeakPolarHBondContact CD1-O 3.27Å; F15-E24 WeakPolarHBondContact O-CA 3.39Å; F15-E24 WeakPolarHBondContact O-CG 3.35Å; F15-L25 HydrophobicContact CB-CB 3.93Å; F15-L25 HydrophobicContact CB-CD1 4.1Å; F15-L25 HydrophobicContact CB-CG 4.01Å; F15-L25 HydrophobicContact CD1-CG 4.42Å; F15-L25 PolarHBondContact N-O 3.35Å; F15-L25 PolarHBondContact O-N 3.28Å; F15-W56 HydrophobicContact CE1-CH2 4.45Å; F15-W56 AromaticContact CZ-CH2 3.79Å; F15-W56 HydrophobicContact CZ-CH2 3.79Å; F15-W56 HydrophobicContact CZ-CZ3 4.28Å; F15-P71 HydrophobicContact CD1-CG 4.3Å; F15-P71 HydrophobicContact CD2-CG 4.02Å; F15-P71 HydrophobicContact CE1-CG 4.46Å; F15-P71 HydrophobicContact CE2-CG 4.21Å; F15-P71 HydrophobicContact CG-CG 4.08Å; F15-P71 HydrophobicContact CZ-CG 4.44Å; F15-Y74 HydrophobicContact CB-CD1 3.93Å; F15-Y74 HydrophobicContact CB-CE1 4.22Å; F15-Y74 HydrophobicContact CD2-CE1 4.31Å
16R95.8Very high96.4Very high204 Ų20465.8 Ų65.877%0.7730%0.301SS*.  trans-89.1132.5176.8-62.7-176.675.11722.5108.7E18R16-E18 PolarHBondContact O-N 2.85Å
17R94.4Very high96.6Very high111 Ų11169.4 Ų69.442%0.41933%0.325SS..  trans-54.5124.9176.568.9-175.382.7-159.3-4.6110.4D22 E24R17-D22 HydrophobicContact CB-CB 4.01Å; R17-E24 IonicContact CZ-OE2 3.55Å; R17-E24 IonicContact NE-OE2 3.34Å; R17-E24 PolarHBondContact NE-OE2 3.09Å; R17-E24 IonicContact NH2-OE2 3.84Å; R17-E24 PolarHBondContact NH2-OE2 3.08Å
18E94Very high96.7Very high152 Ų15270.7 Ų70.771%0.7134%0.34SS*.SBendtrans-95.8-27.8175.4-62.3-175.8174.900111F15 R16 D22F15-E18 HydrophobicContact CZ-CG 4.38Å; R16-E18 PolarHBondContact O-N 2.85Å; E18-D22 WeakPolarHBondContact CB-OD2 3.34Å; E18-D22 PolarHBondContact N-OD2 2.86Å; E18-D22 VanDerWaalsContact N-OD2 3.09Å
19R94.6Very high96.8Very high105 Ų10568.9 Ų68.940%0.39633%0.332SS..SBendtrans-124.7160.4179.7-52.9177.9178-131.1-5.1111.5E21 D22 R192R19-E21 VanDerWaalsContact CB-CD 3.48Å; R19-E21 HydrophobicContact CB-CG 3.97Å; R19-E21 VanDerWaalsContact CD-OE1 3.24Å; R19-E21 WeakPolarHBondContact CD-OE1 3.4Å; R19-E21 IonicContact NH1-OE1 3.6Å; R19-E21 PolarHBondContact O-N 3.34Å; R19-D22 HydrophobicContact CB-CB 4.48Å; R19-D22 PolarHBondContact N-OD2 3.1Å; R19-D22 WeakPolarHBondContact O-CB 3.27Å; R19-D22 PolarHBondContact O-N 3.08Å; R19-R192 VanDerWaalsContact NH1-NH2 3.13Å
20P94.8Very high96.8Very high130 Ų13070.6 Ų70.684%0.84434%0.343SS*.THydrogen-bonded Turntrans-58.5-31.7175.2-24.734.8000113.9D22P20-D22 VanDerWaalsContact C-N 3.34Å
21E95.9Very high96.7Very high85 Ų8565.1 Ų65.140%0.39732%0.322SS..THydrogen-bonded Turntrans-77.7-14.1176.457.6-92.4-15300114.4R19 G68 D69R19-E21 VanDerWaalsContact CB-CD 3.48Å; R19-E21 HydrophobicContact CB-CG 3.97Å; R19-E21 VanDerWaalsContact CD-OE1 3.24Å; R19-E21 WeakPolarHBondContact CD-OE1 3.4Å; R19-E21 IonicContact NH1-OE1 3.6Å; R19-E21 PolarHBondContact O-N 3.34Å; E21-G68 CarbonylContact O-C 3.56Å; E21-G68 WeakPolarHBondContact O-CA 3.28Å; E21-D69 PolarHBondContact O-N 2.83Å
22D96.4Very high96.7Very high5 Ų565.9 Ų65.93%0.02733%0.326CS..BIsolated β-bridgetrans-80.2140.1-175-65.2-13.1000111.8F15 R17 E18 R19 P20 W56 D69F15-D22 HydrophobicContact CE1-CB 4.2Å; R17-D22 HydrophobicContact CB-CB 4.01Å; E18-D22 WeakPolarHBondContact CB-OD2 3.34Å; E18-D22 PolarHBondContact N-OD2 2.86Å; E18-D22 VanDerWaalsContact N-OD2 3.09Å; R19-D22 HydrophobicContact CB-CB 4.48Å; R19-D22 PolarHBondContact N-OD2 3.1Å; R19-D22 WeakPolarHBondContact O-CB 3.27Å; R19-D22 PolarHBondContact O-N 3.08Å; P20-D22 VanDerWaalsContact C-N 3.34Å; D22-W56 WeakPolarHBondContact OD1-CZ3 3.24Å; D22-D69 CarbonylContact C-O 3.56Å; D22-D69 WeakPolarHBondContact CA-O 3.32Å
23L96.6Very high96.6Very high2 Ų262.5 Ų62.51%0.0131%0.309CS..PPolyproline II helixtrans-94.6121.7177.6-174.962.2000110.5F15 L25 L31 N61 Q66 D69 F70F15-L23 WeakPolarHBondContact CD1-O 3.27Å; L23-L25 HydrophobicContact CG-CD2 4.35Å; L23-L31 HydrophobicContact CD2-CD2 3.79Å; L23-N61 HydrophobicContact CD1-CB 4.24Å; L23-N61 HydrophobicContact CD2-CB 4.1Å; L23-N61 HydrophobicContact CG-CB 4.45Å; L23-Q66 HydrophobicContact CD1-CB 3.57Å; L23-Q66 WeakPolarHBondContact CD1-O 3.37Å; L23-D69 PolarHBondContact N-O 2.79Å; L23-F70 HydrophobicContact CB-CB 4.33Å; L23-F70 HydrophobicContact CD2-CD1 4.13Å
24E96.6Very high96.5Very high69 Ų6959.1 Ų59.132%0.32230%0.302SS..PPolyproline II helixtrans-71134.5175.6-176.1169.2-158.800111.5F15 R17F15-E24 WeakPolarHBondContact O-CA 3.39Å; F15-E24 WeakPolarHBondContact O-CG 3.35Å; R17-E24 IonicContact CZ-OE2 3.55Å; R17-E24 IonicContact NE-OE2 3.34Å; R17-E24 PolarHBondContact NE-OE2 3.09Å; R17-E24 IonicContact NH2-OE2 3.84Å; R17-E24 PolarHBondContact NH2-OE2 3.08Å
25L97.6Very high96.3Very high1 Ų159.1 Ų59.11%0.00529%0.294CS..BIsolated β-bridgetrans-119.1142-177.3-51.9-176.7000111A11 P14 F15 L23 L31 F70 V75A11-L25 HydrophobicContact CB-CB 4.14Å; A11-L25 HydrophobicContact CB-CD1 4.34Å; P14-L25 CarbonylContact C-O 3.55Å; P14-L25 VanDerWaalsContact CA-O 3.28Å; P14-L25 WeakPolarHBondContact CA-O 3.48Å; F15-L25 HydrophobicContact CB-CB 3.93Å; F15-L25 HydrophobicContact CB-CD1 4.1Å; F15-L25 HydrophobicContact CB-CG 4.01Å; F15-L25 HydrophobicContact CD1-CG 4.42Å; F15-L25 PolarHBondContact N-O 3.35Å; F15-L25 PolarHBondContact O-N 3.28Å; L23-L25 HydrophobicContact CG-CD2 4.35Å; L25-L31 HydrophobicContact CD1-CD1 4.39Å; L25-L31 HydrophobicContact CD2-CD1 3.72Å; L25-L31 HydrophobicContact CD2-CD2 3.63Å; L25-L31 HydrophobicContact CD2-CG 4.25Å; L25-F70 HydrophobicContact CD1-CB 4.05Å; L25-F70 HydrophobicContact CD1-CD2 4.36Å; L25-F70 HydrophobicContact CD2-CB 4.06Å; L25-F70 HydrophobicContact CD2-CG 4.42Å; L25-F70 HydrophobicContact CG-CB 4.28Å; L25-V75 HydrophobicContact CD1-CG1 4.08Å
26L97.6Very high96Very high75 Ų7561.5 Ų61.539%0.39332%0.316SS..  trans-119150.8162.9-63.4179.7000110.2A11 G28 D29A11-L26 VanDerWaalsContact CB-O 3.27Å; A11-L26 WeakPolarHBondContact CB-O 3.43Å; L26-G28 PolarHBondContact O-N 3.32Å; L26-D29 PolarHBondContact N-OD2 2.83Å; L26-D29 VanDerWaalsContact O-CB 3.27Å; L26-D29 WeakPolarHBondContact O-CB 3.48Å; L26-D29 VanDerWaalsContact O-CG 3.32Å; L26-D29 PolarHBondContact O-N 3.48Å
27P98.2Very high95.9Very high76 Ų7652.7 Ų52.749%0.49429%0.287SS..THydrogen-bonded Turntrans-54.2130.9174.6-25.635.2000111.7A11A11-P27 WeakPolarHBondContact O-CA 3.41Å
28G97.6Very high95.9Very high35 Ų3547.7 Ų47.736%0.36127%0.269SS..THydrogen-bonded Turntrans89.9-8.3-176.900000115.2A11 L26 V30A11-G28 PolarHBondContact O-N 2.79Å; L26-G28 PolarHBondContact O-N 3.32Å; G28-V30 PolarHBondContact O-N 3.45Å
29D97.7Very high95.8Very high10 Ų1045.6 Ų45.65%0.05326%0.259CS..  trans-62.3133.5176.1-77.8-9.2000111R10 A11 L26 N61 R63R10-D29 CarbonylContact C-O 3.45Å; R10-D29 WeakPolarHBondContact CA-O 3.42Å; A11-D29 HydrophobicContact CB-CB 4.15Å; A11-D29 PolarHBondContact N-O 2.97Å; L26-D29 PolarHBondContact N-OD2 2.83Å; L26-D29 VanDerWaalsContact O-CB 3.27Å; L26-D29 WeakPolarHBondContact O-CB 3.48Å; L26-D29 VanDerWaalsContact O-CG 3.32Å; L26-D29 PolarHBondContact O-N 3.48Å; D29-N61 PolarHBondContact OD2-ND2 2.92Å; D29-R63 WeakPolarHBondContact OD1-CD 3.44Å; D29-R63 IonicContact OD1-CZ 3.34Å; D29-R63 IonicContact OD1-NE 2.71Å; D29-R63 PolarHBondContact OD1-NE 2.84Å; D29-R63 IonicContact OD1-NH2 3.28Å; D29-R63 IonicContact OD2-CZ 2.8Å; D29-R63 IonicContact OD2-NE 3.35Å; D29-R63 PolarHBondContact OD2-NE 3.05Å; D29-R63 IonicContact OD2-NH2 3.63Å; D29-R63 PolarHBondContact OD2-NH2 2.7Å
30V98Very high95.7Very high36 Ų3644.9 Ų44.922%0.21828%0.276CS..EExtended strand (participates in β ladder)trans-93.7127.6174.3-176.80000109.3Q8 Y9 G28 E62 L78Q8-V30 HydrophobicContact CG-CG1 4.38Å; Y9-V30 CarbonylContact O-C 3.58Å; Y9-V30 WeakPolarHBondContact O-CA 3.4Å; G28-V30 PolarHBondContact O-N 3.45Å; V30-E62 HydrophobicContact CB-CB 4.47Å; V30-E62 HydrophobicContact CB-CG 4.33Å; V30-E62 HydrophobicContact CG1-CG 4.3Å; V30-E62 WeakPolarHBondContact CG1-OE2 3.12Å; V30-E62 PolarHBondContact O-N 3.22Å; V30-L78 HydrophobicContact CG1-CD1 4.36Å
31L97.4Very high95.6Very high0 Ų043 Ų430%026%0.258CS..EExtended strand (participates in β ladder)trans-116.8129.3-175.8-58.4162.8000109.1Q8 Y9 L23 L25 L60 N61 F70 V75Q8-L31 CarbonylContact C-O 3.46Å; Q8-L31 WeakPolarHBondContact CA-O 3.1Å; Y9-L31 PolarHBondContact N-O 3.14Å; Y9-L31 PolarHBondContact O-N 2.9Å; L23-L31 HydrophobicContact CD2-CD2 3.79Å; L25-L31 HydrophobicContact CD1-CD1 4.39Å; L25-L31 HydrophobicContact CD2-CD1 3.72Å; L25-L31 HydrophobicContact CD2-CD2 3.63Å; L25-L31 HydrophobicContact CD2-CG 4.25Å; L31-L60 CarbonylContact C-O 3.47Å; L31-L60 WeakPolarHBondContact CA-O 3.48Å; L31-N61 HydrophobicContact CD2-CB 3.76Å; L31-F70 HydrophobicContact CB-CE1 4.31Å; L31-F70 HydrophobicContact CB-CZ 4.2Å; L31-F70 HydrophobicContact CD1-CD1 4.29Å; L31-F70 HydrophobicContact CD1-CD2 3.83Å; L31-F70 HydrophobicContact CD1-CE1 4.16Å; L31-F70 HydrophobicContact CD1-CE2 3.7Å; L31-F70 HydrophobicContact CD1-CG 4.13Å; L31-F70 HydrophobicContact CD1-CZ 3.86Å; L31-V75 HydrophobicContact CD1-CG1 3.58Å
32V97Very high95.4Very high18 Ų1842 Ų4211%0.10927%0.271CS..EExtended strand (participates in β ladder)trans-106.5121.9178.6-179.60000109.4Q8 G59 L60 E62 V81 L83Q8-V32 HydrophobicContact CG-CG2 4.27Å; V32-G59 WeakPolarHBondContact O-CA 3.42Å; V32-L60 PolarHBondContact N-O 3.4Å; V32-L60 PolarHBondContact O-N 3.07Å; V32-E62 HydrophobicContact CG2-CG 3.79Å; V32-V81 HydrophobicContact CG1-CG1 4.09Å; V32-L83 HydrophobicContact CG1-CD2 3.28Å
33V96.4Very high95.2Very high0 Ų043.2 Ų43.20%028%0.278CS..EExtended strand (participates in β ladder)trans-114.8128.8177.3-179.70000108.9G6 F7 Y9 A37 L38 P58 F70G6-V33 CarbonylContact C-O 3.58Å; G6-V33 WeakPolarHBondContact CA-O 3.35Å; F7-V33 PolarHBondContact N-O 2.81Å; F7-V33 PolarHBondContact O-N 3.18Å; Y9-V33 HydrophobicContact CD2-CB 4.3Å; Y9-V33 HydrophobicContact CD2-CG2 3.7Å; Y9-V33 HydrophobicContact CE2-CB 3.86Å; Y9-V33 HydrophobicContact CE2-CG2 3.63Å; V33-A37 HydrophobicContact CG1-CB 4.49Å; V33-L38 HydrophobicContact CG1-CD1 4.31Å; V33-L38 HydrophobicContact CG1-CD2 3.84Å; V33-L38 HydrophobicContact CG1-CG 3.75Å; V33-P58 WeakPolarHBondContact CG1-O 3.43Å; V33-F70 HydrophobicContact CG2-CE1 3.91Å; V33-F70 HydrophobicContact CG2-CZ 3.74Å
34S94.6Very high94.9Very high46 Ų4646.7 Ų46.732%0.32231%0.307SS..EExtended strand (participates in β ladder)trans-74.4145.317768.30000111.8A36 A37 L38S34-A36 PolarHBondContact O-N 3.05Å; S34-A37 WeakPolarHBondContact O-CB 3.17Å; S34-A37 PolarHBondContact O-N 2.92Å; S34-A37 WeakPolarHBondContact OG-CB 3.38Å; S34-A37 PolarHBondContact OG-N 3.25Å; S34-L38 PolarHBondContact O-N 2.96Å
35R93.1Very high94.5Very high66 Ų6649.5 Ų49.525%0.24932%0.32CS..Hα-helixtrans-58.2-38.2176.2-176.7173-178.4-164.1-0.7112P4 E5 F7 A37 L38 Q39 E45P4-R35 VanDerWaalsContact O-CD 3.25Å; P4-R35 WeakPolarHBondContact O-CD 3.38Å; E5-R35 WeakPolarHBondContact O-CB 3.46Å; E5-R35 PolarHBondContact O-N 3.2Å; F7-R35 HydrophobicContact CE2-CB 4.17Å; F7-R35 HydrophobicContact CE2-CG 4.18Å; R35-A37 VanDerWaalsContact C-N 3.26Å; R35-A37 PolarHBondContact O-N 3.09Å; R35-L38 PolarHBondContact O-N 3.35Å; R35-Q39 WeakPolarHBondContact O-CG 3.38Å; R35-Q39 PolarHBondContact O-N 3.27Å; R35-E45 IonicContact CZ-OE1 3.67Å; R35-E45 IonicContact CZ-OE2 3.71Å; R35-E45 IonicContact NE-OE1 3.8Å; R35-E45 IonicContact NE-OE2 2.7Å; R35-E45 IonicContact NH2-OE1 2.77Å; R35-E45 PolarHBondContact NH2-OE1 3.09Å; R35-E45 IonicContact NH2-OE2 3.03Å; R35-E45 PolarHBondContact NH2-OE2 3.29Å
36A92.6Very high94.1Very high66 Ų6650.5 Ų50.555%0.54533%0.331SS..Hα-helixtrans-60.7-34.1177.100000113S34 A40S34-A36 PolarHBondContact O-N 3.05Å; A36-A40 WeakPolarHBondContact O-CB 3.33Å; A36-A40 PolarHBondContact O-N 3.04Å
37A93.2Very high93.8Very high19 Ų1948.1 Ų48.116%0.15732%0.324CS..Hα-helixtrans-71-42.617900000112.4V33 S34 R35 Q39 A40 L41 P58V33-A37 HydrophobicContact CG1-CB 4.49Å; S34-A37 WeakPolarHBondContact O-CB 3.17Å; S34-A37 PolarHBondContact O-N 2.92Å; S34-A37 WeakPolarHBondContact OG-CB 3.38Å; S34-A37 PolarHBondContact OG-N 3.25Å; R35-A37 VanDerWaalsContact C-N 3.26Å; R35-A37 PolarHBondContact O-N 3.09Å; A37-Q39 VanDerWaalsContact C-N 3.33Å; A37-Q39 PolarHBondContact O-N 2.95Å; A37-A40 PolarHBondContact O-N 3.5Å; A37-L41 PolarHBondContact O-N 2.89Å; A37-L41 VanDerWaalsContact O-N 3.13Å; A37-P58 HydrophobicContact CB-CG 3.75Å
38L93.3Very high93.6Very high5 Ų545.2 Ų45.23%0.02631%0.305CS..Hα-helixtrans-64.6-38.8174.2-65.5-176.6000111.7F7 V33 S34 R35 A40 L41 G42 V43 E48 V54 M57F7-L38 HydrophobicContact CD2-CD1 3.54Å; F7-L38 HydrophobicContact CE2-CD1 3.89Å; V33-L38 HydrophobicContact CG1-CD1 4.31Å; V33-L38 HydrophobicContact CG1-CD2 3.84Å; V33-L38 HydrophobicContact CG1-CG 3.75Å; S34-L38 PolarHBondContact O-N 2.96Å; R35-L38 PolarHBondContact O-N 3.35Å; L38-A40 VanDerWaalsContact C-N 3.33Å; L38-A40 PolarHBondContact O-N 3.06Å; L38-L41 HydrophobicContact CD2-CD1 4.43Å; L38-L41 WeakPolarHBondContact O-CB 3.33Å; L38-L41 PolarHBondContact O-N 3.3Å; L38-G42 PolarHBondContact O-N 3.17Å; L38-V43 HydrophobicContact CB-CB 4.22Å; L38-V43 HydrophobicContact CB-CG2 4.43Å; L38-V43 HydrophobicContact CD2-CG2 4.48Å; L38-V43 WeakPolarHBondContact O-CB 3.45Å; L38-V43 PolarHBondContact O-N 3.45Å; L38-V43 VanDerWaalsContact O-N 3.07Å; L38-E48 HydrophobicContact CD1-CB 3.67Å; L38-V54 HydrophobicContact CD2-CG1 4.35Å; L38-M57 HydrophobicContact CD2-CG 4.22Å; L38-M57 HydrophobicContact CD2-SD 3.73Å
39Q92.9Very high93.5Very high108 Ų10851.1 Ų51.151%0.50532%0.316SS..Hα-helixtrans-63.4-38.7173.6-73.2177.6-1.400112.3R35 A37 L41 G42R35-Q39 WeakPolarHBondContact O-CG 3.38Å; R35-Q39 PolarHBondContact O-N 3.27Å; A37-Q39 VanDerWaalsContact C-N 3.33Å; A37-Q39 PolarHBondContact O-N 2.95Å; Q39-L41 PolarHBondContact O-N 2.8Å; Q39-G42 PolarHBondContact O-N 2.83Å
40A92.6Very high93.4Very high91 Ų9153.1 Ų53.175%0.75233%0.33SS*.Hα-helixtrans-65.7-27.917600000112.8A36 A37 L38 G42A36-A40 WeakPolarHBondContact O-CB 3.33Å; A36-A40 PolarHBondContact O-N 3.04Å; A37-A40 PolarHBondContact O-N 3.5Å; L38-A40 VanDerWaalsContact C-N 3.33Å; L38-A40 PolarHBondContact O-N 3.06Å; A40-G42 VanDerWaalsContact C-N 3.25Å
41L91.6Very high93.2Very high90 Ų9051.5 Ų51.547%0.47132%0.32SS..THydrogen-bonded Turntrans-78.2-6.3171.5-70.9166.6000113.2A37 L38 Q39 V43 V54 M57A37-L41 PolarHBondContact O-N 2.89Å; A37-L41 VanDerWaalsContact O-N 3.13Å; L38-L41 HydrophobicContact CD2-CD1 4.43Å; L38-L41 WeakPolarHBondContact O-CB 3.33Å; L38-L41 PolarHBondContact O-N 3.3Å; Q39-L41 PolarHBondContact O-N 2.8Å; L41-V43 HydrophobicContact CB-CG2 4.09Å; L41-V54 HydrophobicContact CD1-CG1 4.29Å; L41-M57 HydrophobicContact CD1-CG 4.47Å
42G92.4Very high93Very high65 Ų6556.7 Ų56.767%0.6734%0.344SS*.THydrogen-bonded Turntrans78.119.3-178.300000114L38 Q39 A40 A44L38-G42 PolarHBondContact O-N 3.17Å; Q39-G42 PolarHBondContact O-N 2.83Å; A40-G42 VanDerWaalsContact C-N 3.25Å; G42-A44 PolarHBondContact O-N 2.85Å
43V91.9Very high92.9Very high29 Ų2960.5 Ų60.518%0.17637%0.372CS..PPolyproline II helixtrans-72124.6175.8-176.10000109.1L38 L41 V54L38-V43 HydrophobicContact CB-CB 4.22Å; L38-V43 HydrophobicContact CB-CG2 4.43Å; L38-V43 HydrophobicContact CD2-CG2 4.48Å; L38-V43 WeakPolarHBondContact O-CB 3.45Å; L38-V43 PolarHBondContact O-N 3.45Å; L38-V43 VanDerWaalsContact O-N 3.07Å; L41-V43 HydrophobicContact CB-CG2 4.09Å; V43-V54 HydrophobicContact CG1-CG2 4.02Å; V43-V54 HydrophobicContact CG2-CB 4.31Å; V43-V54 HydrophobicContact CG2-CG1 3.56Å; V43-V54 HydrophobicContact CG2-CG2 3.87Å
44A90.2Very high92.8Very high76 Ų7662 Ų6263%0.62838%0.381SS*.PPolyproline II helixtrans-68.9155.3174.400000111.2G42 G46 G47G42-A44 PolarHBondContact O-N 2.85Å; A44-G46 PolarHBondContact O-N 3.18Å; A44-G47 PolarHBondContact O-N 2.85Å
45E88.9Confident92.8Very high127 Ų12761 Ų6159%0.59338%0.378SS*.THydrogen-bonded Turntrans-56.8128.4175-157.692.5-163.100110.3R35R35-E45 IonicContact CZ-OE1 3.67Å; R35-E45 IonicContact CZ-OE2 3.71Å; R35-E45 IonicContact NE-OE1 3.8Å; R35-E45 IonicContact NE-OE2 2.7Å; R35-E45 IonicContact NH2-OE1 2.77Å; R35-E45 PolarHBondContact NH2-OE1 3.09Å; R35-E45 IonicContact NH2-OE2 3.03Å; R35-E45 PolarHBondContact NH2-OE2 3.29Å
46G89.6Confident93Very high22 Ų2260.8 Ų60.823%0.22738%0.377CS..THydrogen-bonded Turntrans96.2-21-17300000114.1A44 E48 R49A44-G46 PolarHBondContact O-N 3.18Å; G46-E48 VanDerWaalsContact C-OE2 3.23Å; G46-E48 WeakPolarHBondContact CA-OE1 3.2Å; G46-E48 WeakPolarHBondContact CA-OE2 3.43Å; G46-E48 PolarHBondContact N-OE1 2.9Å; G46-E48 PolarHBondContact N-OE2 2.9Å; G46-E48 PolarHBondContact O-N 2.79Å; G46-R49 PolarHBondContact O-N 2.85Å
47G90.8Very high93.1Very high25 Ų2557.6 Ų57.626%0.25835%0.351SS..G310 helixtrans-67.7-19177.100000113.6A44 R49 C50A44-G47 PolarHBondContact O-N 2.85Å; G47-R49 PolarHBondContact O-N 2.89Å; G47-C50 PolarHBondContact O-N 2.79Å; G47-C50 VanDerWaalsContact O-N 3.17Å
48E93.4Very high93.3Very high16 Ų1658.9 Ų58.98%0.07536%0.357CS..G310 helixtrans-60.1-24.9175.567.9-82.6178.100113.7F7 Y9 L38 G46 C50 F77F7-E48 HydrophobicContact CD1-CB 4.25Å; F7-E48 HydrophobicContact CD1-CG 3.74Å; F7-E48 HydrophobicContact CD2-CB 3.99Å; F7-E48 HydrophobicContact CD2-CG 4.29Å; F7-E48 HydrophobicContact CE1-CB 4.31Å; F7-E48 HydrophobicContact CE1-CG 3.56Å; F7-E48 HydrophobicContact CE2-CB 4.03Å; F7-E48 HydrophobicContact CE2-CG 4.11Å; F7-E48 HydrophobicContact CG-CB 4.08Å; F7-E48 HydrophobicContact CG-CG 4.1Å; F7-E48 HydrophobicContact CZ-CB 4.18Å; F7-E48 HydrophobicContact CZ-CG 3.74Å; Y9-E48 WeakPolarHBondContact CE1-O 3.47Å; Y9-E48 PolarHBondContact OH-O 2.83Å; L38-E48 HydrophobicContact CD1-CB 3.67Å; G46-E48 VanDerWaalsContact C-OE2 3.23Å; G46-E48 WeakPolarHBondContact CA-OE1 3.2Å; G46-E48 WeakPolarHBondContact CA-OE2 3.43Å; G46-E48 PolarHBondContact N-OE1 2.9Å; G46-E48 PolarHBondContact N-OE2 2.9Å; G46-E48 PolarHBondContact O-N 2.79Å; E48-C50 PolarHBondContact O-N 2.88Å; E48-F77 HydrophobicContact CB-CE2 4.4Å; E48-F77 HydrophobicContact CG-CE2 3.9Å; E48-F77 HydrophobicContact CG-CZ 4.27Å; E48-F77 WeakPolarHBondContact O-CD2 3.46Å
49R95.7Very high93.5Very high158 Ų15859.1 Ų59.160%0.59636%0.362SS*.G310 helixtrans-73.5-17.6-179.4-62.2-172.9178.299-1.2112.9G46 G47 P51 F77G46-R49 PolarHBondContact O-N 2.85Å; G47-R49 PolarHBondContact O-N 2.89Å; R49-P51 VanDerWaalsContact C-CD 3.41Å; R49-P51 WeakPolarHBondContact O-CD 3.35Å; R49-F77 HydrophobicContact CB-CD1 4.44Å; R49-F77 HydrophobicContact CG-CD1 4.19Å; R49-F77 HydrophobicContact CG-CE1 3.95Å; R49-F77 HydrophobicContact CG-CZ 4.24Å
50C95.2Very high93.6Very high52 Ų5255.7 Ų55.735%0.35135%0.346SS..  trans-116.370.4-178.6-62.60000109.8G47 E48 Q52 S53 V54G47-C50 PolarHBondContact O-N 2.79Å; G47-C50 VanDerWaalsContact O-N 3.17Å; E48-C50 PolarHBondContact O-N 2.88Å; C50-Q52 PolarHBondContact O-N 3.12Å; C50-Q52 VanDerWaalsContact O-N 3.14Å; C50-S53 WeakPolarHBondContact O-CB 3.41Å; C50-S53 PolarHBondContact O-N 2.88Å; C50-V54 PolarHBondContact O-N 2.75Å
51P94.7Very high93.8Very high2 Ų251.4 Ų51.41%0.01331%0.311CS..Hα-helixtrans-56.8-31.8-176.924.8-35.5000113Y9 R49 S53 V54 G55 M57 G72 V75Y9-P51 HydrophobicContact CD1-CB 3.97Å; Y9-P51 HydrophobicContact CD1-CG 4.13Å; Y9-P51 HydrophobicContact CE1-CB 3.71Å; Y9-P51 HydrophobicContact CE1-CG 4.05Å; R49-P51 VanDerWaalsContact C-CD 3.41Å; R49-P51 WeakPolarHBondContact O-CD 3.35Å; P51-S53 VanDerWaalsContact C-N 3.27Å; P51-S53 PolarHBondContact O-N 2.83Å; P51-V54 PolarHBondContact O-N 3.06Å; P51-G55 PolarHBondContact O-N 3.01Å; P51-M57 HydrophobicContact CB-CE 3.54Å; P51-G72 WeakPolarHBondContact CB-O 3.21Å; P51-G72 WeakPolarHBondContact O-CA 3.31Å; P51-V75 HydrophobicContact CB-CG2 3.78Å; P51-V75 HydrophobicContact CG-CG2 4.03Å; P51-V75 WeakPolarHBondContact CG-O 3.49Å
52Q93.9Very high94Very high109 Ų10950.7 Ų50.751%0.50931%0.305SS..Hα-helixtrans-61.3-31174.266.8-81.616.200113.7C50 T73C50-Q52 PolarHBondContact O-N 3.12Å; C50-Q52 VanDerWaalsContact O-N 3.14Å; Q52-T73 HydrophobicContact CB-CG2 4.05Å
53S93.3Very high94.2Very high98 Ų9854.1 Ų54.169%0.68530%0.298SS*.Hα-helixtrans-81.7-25.9178.9-57.40000112.3C50 P51C50-S53 WeakPolarHBondContact O-CB 3.41Å; C50-S53 PolarHBondContact O-N 2.88Å; P51-S53 VanDerWaalsContact C-N 3.27Å; P51-S53 PolarHBondContact O-N 2.83Å
54V94.6Very high94.3Very high32 Ų3254.7 Ų54.719%0.19430%0.301CS..Hα-helixtrans-73.7-35174.9-176.80000110.9L38 L41 V43 C50 P51 M57L38-V54 HydrophobicContact CD2-CG1 4.35Å; L41-V54 HydrophobicContact CD1-CG1 4.29Å; V43-V54 HydrophobicContact CG1-CG2 4.02Å; V43-V54 HydrophobicContact CG2-CB 4.31Å; V43-V54 HydrophobicContact CG2-CG1 3.56Å; V43-V54 HydrophobicContact CG2-CG2 3.87Å; C50-V54 PolarHBondContact O-N 2.75Å; P51-V54 PolarHBondContact O-N 3.06Å; V54-M57 HydrophobicContact CB-CG 4.08Å; V54-M57 HydrophobicContact CB-SD 3.82Å; V54-M57 HydrophobicContact CG1-CG 3.47Å; V54-M57 VanDerWaalsContact CG1-CG 3.47Å; V54-M57 HydrophobicContact CG1-SD 3.69Å; V54-M57 HydrophobicContact CG2-SD 4.23Å
55G95.3Very high94.5Very high24 Ų2459 Ų5925%0.24730%0.301CS..  trans85-119.7-177.600000111.1P51 G72P51-G55 PolarHBondContact O-N 3.01Å; G55-G72 WeakPolarHBondContact O-CA 3.47Å; G55-G72 PolarHBondContact O-N 3.46Å
56W96.2Very high94.9Very high62 Ų6256.7 Ų56.724%0.23529%0.29CS..EExtended strand (participates in β ladder)trans-85.2132.8-178.2-72.872.8000111F15 D22 D69 F70F15-W56 HydrophobicContact CE1-CH2 4.45Å; F15-W56 AromaticContact CZ-CH2 3.79Å; F15-W56 HydrophobicContact CZ-CH2 3.79Å; F15-W56 HydrophobicContact CZ-CZ3 4.28Å; D22-W56 WeakPolarHBondContact OD1-CZ3 3.24Å; W56-D69 HydrophobicContact CE3-CB 4.14Å; W56-F70 WeakPolarHBondContact CA-O 3.15Å
57M96.3Very high95.2Very high0 Ų065.5 Ų65.50%032%0.317CS..EExtended strand (participates in β ladder)trans-133.5138.7-175.8-61.2-175.6-67.500111.5Y9 L38 L41 P51 V54 D69 F70 V75Y9-M57 HydrophobicContact CE1-CE 4.34Å; L38-M57 HydrophobicContact CD2-CG 4.22Å; L38-M57 HydrophobicContact CD2-SD 3.73Å; L41-M57 HydrophobicContact CD1-CG 4.47Å; P51-M57 HydrophobicContact CB-CE 3.54Å; V54-M57 HydrophobicContact CB-CG 4.08Å; V54-M57 HydrophobicContact CB-SD 3.82Å; V54-M57 HydrophobicContact CG1-CG 3.47Å; V54-M57 VanDerWaalsContact CG1-CG 3.47Å; V54-M57 HydrophobicContact CG1-SD 3.69Å; V54-M57 HydrophobicContact CG2-SD 4.23Å; M57-D69 WeakPolarHBondContact O-CA 3.36Å; M57-F70 HydrophobicContact CB-CE1 4.38Å; M57-F70 HydrophobicContact CB-CZ 4.17Å; M57-F70 HydrophobicContact CE-CE2 3.73Å; M57-F70 HydrophobicContact CE-CZ 3.98Å; M57-F70 PolarHBondContact N-O 3.35Å; M57-F70 WeakPolarHBondContact O-CD1 3.48Å; M57-F70 WeakPolarHBondContact O-CE1 3.34Å; M57-F70 PolarHBondContact O-N 2.86Å; M57-V75 HydrophobicContact CE-CG2 4.38Å
58P97Very high95.5Very high45 Ų4565 Ų6529%0.29231%0.312SS..EExtended strand (participates in β ladder)trans-79.4133.9171.731.8-34.8000110.5V33 A37 G68 D69V33-P58 WeakPolarHBondContact CG1-O 3.43Å; A37-P58 HydrophobicContact CB-CG 3.75Å; P58-G68 WeakPolarHBondContact CA-O 3.48Å; P58-D69 WeakPolarHBondContact CA-OD1 3.27Å; P58-D69 VanDerWaalsContact CB-OD1 3.31Å; P58-D69 WeakPolarHBondContact CB-OD1 3.49Å
59G96.2Very high95.7Very high11 Ų1166.9 Ų66.911%0.11332%0.322CS..EExtended strand (participates in β ladder)trans-153.3-178.5173.900000114.2V32 R67 G68V32-G59 WeakPolarHBondContact O-CA 3.42Å; G59-R67 VanDerWaalsContact O-CA 3.27Å; G59-R67 WeakPolarHBondContact O-CA 3.34Å; G59-G68 PolarHBondContact N-O 2.95Å; G59-G68 PolarHBondContact O-N 2.74Å; G59-G68 VanDerWaalsContact O-N 3.12Å
60L96.6Very high95.7Very high36 Ų3659.4 Ų59.419%0.18829%0.294CS..EExtended strand (participates in β ladder)trans-116.7124.1176.217574.8000108.6L31 V32 R65 Q66 R67L31-L60 CarbonylContact C-O 3.47Å; L31-L60 WeakPolarHBondContact CA-O 3.48Å; V32-L60 PolarHBondContact N-O 3.4Å; V32-L60 PolarHBondContact O-N 3.07Å; L60-R65 WeakPolarHBondContact CD1-O 3.44Å; L60-Q66 WeakPolarHBondContact CA-O 3.49Å; L60-R67 HydrophobicContact CB-CG 4.21Å; L60-R67 HydrophobicContact CD1-CG 3.49Å; L60-R67 VanDerWaalsContact CD1-CG 3.49Å; L60-R67 HydrophobicContact CG-CG 4.46Å
61N96.7Very high95.8Very high0 Ų057.1 Ų57.10%028%0.279CS..EExtended strand (participates in β ladder)trans-80.2124.6170.9-175.2-27.7000109.8L23 D29 L31 R63 T64 R65 Q66L23-N61 HydrophobicContact CD1-CB 4.24Å; L23-N61 HydrophobicContact CD2-CB 4.1Å; L23-N61 HydrophobicContact CG-CB 4.45Å; D29-N61 PolarHBondContact OD2-ND2 2.92Å; L31-N61 HydrophobicContact CD2-CB 3.76Å; N61-R63 VanDerWaalsContact C-N 3.35Å; N61-R63 PolarHBondContact O-N 2.86Å; N61-R63 WeakPolarHBondContact OD1-CB 3.43Å; N61-R63 PolarHBondContact OD1-N 3.17Å; N61-T64 WeakPolarHBondContact CB-OG1 3.32Å; N61-R65 WeakPolarHBondContact O-CA 3.46Å; N61-R65 PolarHBondContact O-N 2.9Å; N61-Q66 PolarHBondContact N-O 3.33Å
62E95.4Very high95.9Very high76 Ų7657 Ų5736%0.35528%0.278SS..THydrogen-bonded Turntrans-67.8-34.7-178.2-65.3-152.4107.900112.9V30 V32 R65V30-E62 HydrophobicContact CB-CB 4.47Å; V30-E62 HydrophobicContact CB-CG 4.33Å; V30-E62 HydrophobicContact CG1-CG 4.3Å; V30-E62 WeakPolarHBondContact CG1-OE2 3.12Å; V30-E62 PolarHBondContact O-N 3.22Å; V32-E62 HydrophobicContact CG2-CG 3.79Å; E62-R65 WeakPolarHBondContact O-CD 3.44Å; E62-R65 PolarHBondContact O-NE 3.45Å
63R95.3Very high96.1Very high136 Ų13655 Ų5551%0.51327%0.273SS..THydrogen-bonded Turntrans-67.9-48.8179.7-179.3-177.659.685.93.3111.5D29 N61D29-R63 WeakPolarHBondContact OD1-CD 3.44Å; D29-R63 IonicContact OD1-CZ 3.34Å; D29-R63 IonicContact OD1-NE 2.71Å; D29-R63 PolarHBondContact OD1-NE 2.84Å; D29-R63 IonicContact OD1-NH2 3.28Å; D29-R63 IonicContact OD2-CZ 2.8Å; D29-R63 IonicContact OD2-NE 3.35Å; D29-R63 PolarHBondContact OD2-NE 3.05Å; D29-R63 IonicContact OD2-NH2 3.63Å; D29-R63 PolarHBondContact OD2-NH2 2.7Å; N61-R63 VanDerWaalsContact C-N 3.35Å; N61-R63 PolarHBondContact O-N 2.86Å; N61-R63 WeakPolarHBondContact OD1-CB 3.43Å; N61-R63 PolarHBondContact OD1-N 3.17Å
64T94.6Very high96.3Very high41 Ų4152.4 Ų52.425%0.25225%0.249SC..THydrogen-bonded Turntrans-95.7-12.7-174.164.20000113.5N61 Q66N61-T64 WeakPolarHBondContact CB-OG1 3.32Å; T64-Q66 PolarHBondContact O-N 2.8Å; T64-Q66 VanDerWaalsContact O-N 3.08Å; T64-Q66 WeakPolarHBondContact OG1-CB 3.49Å; T64-Q66 PolarHBondContact OG1-N 3.47Å
65R95.4Very high96.5Very high167 Ų16751.2 Ų51.263%0.6324%0.242SC*.  trans54.319-170-56.1-61.6-171.6-175.5-2.8113.8L60 N61 E62L60-R65 WeakPolarHBondContact CD1-O 3.44Å; N61-R65 WeakPolarHBondContact O-CA 3.46Å; N61-R65 PolarHBondContact O-N 2.9Å; E62-R65 WeakPolarHBondContact O-CD 3.44Å; E62-R65 PolarHBondContact O-NE 3.45Å
66Q95.8Very high96.6Very high78 Ų7853.4 Ų53.436%0.36425%0.246SC..  trans-84.1143.5176.6-65.9-177.722.200110.4L23 L60 N61 T64L23-Q66 HydrophobicContact CD1-CB 3.57Å; L23-Q66 WeakPolarHBondContact CD1-O 3.37Å; L60-Q66 WeakPolarHBondContact CA-O 3.49Å; N61-Q66 PolarHBondContact N-O 3.33Å; T64-Q66 PolarHBondContact O-N 2.8Å; T64-Q66 VanDerWaalsContact O-N 3.08Å; T64-Q66 WeakPolarHBondContact OG1-CB 3.49Å; T64-Q66 PolarHBondContact OG1-N 3.47Å
67R96.5Very high96.6Very high208 Ų20853 Ų5379%0.78525%0.246SC*.EExtended strand (participates in β ladder)trans-109141.1173.6-65.9-176.8175.2-144.8-2.8109.6G59 L60G59-R67 VanDerWaalsContact O-CA 3.27Å; G59-R67 WeakPolarHBondContact O-CA 3.34Å; L60-R67 HydrophobicContact CB-CG 4.21Å; L60-R67 HydrophobicContact CD1-CG 3.49Å; L60-R67 VanDerWaalsContact CD1-CG 3.49Å; L60-R67 HydrophobicContact CG-CG 4.46Å
68G96.8Very high96.6Very high14 Ų1457 Ų5714%0.14427%0.267CS..EExtended strand (participates in β ladder)trans174.9-176.4176.100000111.3E21 P58 G59E21-G68 CarbonylContact O-C 3.56Å; E21-G68 WeakPolarHBondContact O-CA 3.28Å; P58-G68 WeakPolarHBondContact CA-O 3.48Å; G59-G68 PolarHBondContact N-O 2.95Å; G59-G68 PolarHBondContact O-N 2.74Å; G59-G68 VanDerWaalsContact O-N 3.12Å
69D97.5Very high96.6Very high56 Ų5655.4 Ų55.430%0.29926%0.258SS..EExtended strand (participates in β ladder)trans-90.5136.7178.6-64.6-42.8000110.6E21 D22 L23 W56 M57 P58E21-D69 PolarHBondContact O-N 2.83Å; D22-D69 CarbonylContact C-O 3.56Å; D22-D69 WeakPolarHBondContact CA-O 3.32Å; L23-D69 PolarHBondContact N-O 2.79Å; W56-D69 HydrophobicContact CE3-CB 4.14Å; M57-D69 WeakPolarHBondContact O-CA 3.36Å; P58-D69 WeakPolarHBondContact CA-OD1 3.27Å; P58-D69 VanDerWaalsContact CB-OD1 3.31Å; P58-D69 WeakPolarHBondContact CB-OD1 3.49Å
70F97.4Very high96.5Very high0 Ų058.8 Ų58.80%028%0.278CS..EExtended strand (participates in β ladder)trans-134.3153.6176.866.7-89.7000111.4L23 L25 L31 V33 W56 M57 G72 V75L23-F70 HydrophobicContact CB-CB 4.33Å; L23-F70 HydrophobicContact CD2-CD1 4.13Å; L25-F70 HydrophobicContact CD1-CB 4.05Å; L25-F70 HydrophobicContact CD1-CD2 4.36Å; L25-F70 HydrophobicContact CD2-CB 4.06Å; L25-F70 HydrophobicContact CD2-CG 4.42Å; L25-F70 HydrophobicContact CG-CB 4.28Å; L31-F70 HydrophobicContact CB-CE1 4.31Å; L31-F70 HydrophobicContact CB-CZ 4.2Å; L31-F70 HydrophobicContact CD1-CD1 4.29Å; L31-F70 HydrophobicContact CD1-CD2 3.83Å; L31-F70 HydrophobicContact CD1-CE1 4.16Å; L31-F70 HydrophobicContact CD1-CE2 3.7Å; L31-F70 HydrophobicContact CD1-CG 4.13Å; L31-F70 HydrophobicContact CD1-CZ 3.86Å; V33-F70 HydrophobicContact CG2-CE1 3.91Å; V33-F70 HydrophobicContact CG2-CZ 3.74Å; W56-F70 WeakPolarHBondContact CA-O 3.15Å; M57-F70 HydrophobicContact CB-CE1 4.38Å; M57-F70 HydrophobicContact CB-CZ 4.17Å; M57-F70 HydrophobicContact CE-CE2 3.73Å; M57-F70 HydrophobicContact CE-CZ 3.98Å; M57-F70 PolarHBondContact N-O 3.35Å; M57-F70 WeakPolarHBondContact O-CD1 3.48Å; M57-F70 WeakPolarHBondContact O-CE1 3.34Å; M57-F70 PolarHBondContact O-N 2.86Å; F70-G72 PolarHBondContact O-N 3.06Å; F70-V75 HydrophobicContact CD2-CG1 3.82Å; F70-V75 HydrophobicContact CE2-CB 4.46Å; F70-V75 HydrophobicContact CE2-CG1 3.76Å; F70-V75 HydrophobicContact CE2-CG2 3.9Å
71P97.1Very high96.2Very high5 Ų558.6 Ų58.63%0.03228%0.278CS..EExtended strand (participates in β ladder)trans-75.9122177.529.3-33.4000111.1F15 T73 Y74F15-P71 HydrophobicContact CD1-CG 4.3Å; F15-P71 HydrophobicContact CD2-CG 4.02Å; F15-P71 HydrophobicContact CE1-CG 4.46Å; F15-P71 HydrophobicContact CE2-CG 4.21Å; F15-P71 HydrophobicContact CG-CG 4.08Å; F15-P71 HydrophobicContact CZ-CG 4.44Å; P71-T73 PolarHBondContact O-N 3.25Å; P71-Y74 HydrophobicContact CB-CD2 3.87Å; P71-Y74 HydrophobicContact CB-CE2 4.41Å; P71-Y74 HydrophobicContact CG-CD2 3.55Å; P71-Y74 HydrophobicContact CG-CE2 4.12Å; P71-Y74 HydrophobicContact CG-CG 3.86Å; P71-Y74 PolarHBondContact O-N 2.93Å; P71-Y74 VanDerWaalsContact O-N 3.09Å
72G96.9Very high95.7Very high0 Ų062.7 Ų62.70%031%0.312CS..G310 helixtrans-63.3-19176.600000114.4P51 G55 F70 Y74 V75P51-G72 WeakPolarHBondContact CB-O 3.21Å; P51-G72 WeakPolarHBondContact O-CA 3.31Å; G55-G72 WeakPolarHBondContact O-CA 3.47Å; G55-G72 PolarHBondContact O-N 3.46Å; F70-G72 PolarHBondContact O-N 3.06Å; G72-Y74 PolarHBondContact O-N 2.9Å; G72-V75 WeakPolarHBondContact O-CG2 3.25Å; G72-V75 PolarHBondContact O-N 3.41Å
73T97.1Very high94.8Very high67 Ų6761.6 Ų61.641%0.41131%0.308SS..G310 helixtrans-70.7-11.6174.155.50000113.4Q52 P71Q52-T73 HydrophobicContact CB-CG2 4.05Å; P71-T73 PolarHBondContact O-N 3.25Å
74Y97.6Very high93.4Very high42 Ų4259.7 Ų59.717%0.16532%0.322CS..G310 helixtrans-99.42-178.5-77.5-121.6000112.7L12 F15 P71 G72L12-Y74 PolarHBondContact N-O 2.71Å; F15-Y74 HydrophobicContact CB-CD1 3.93Å; F15-Y74 HydrophobicContact CB-CE1 4.22Å; F15-Y74 HydrophobicContact CD2-CE1 4.31Å; P71-Y74 HydrophobicContact CB-CD2 3.87Å; P71-Y74 HydrophobicContact CB-CE2 4.41Å; P71-Y74 HydrophobicContact CG-CD2 3.55Å; P71-Y74 HydrophobicContact CG-CE2 4.12Å; P71-Y74 HydrophobicContact CG-CG 3.86Å; P71-Y74 PolarHBondContact O-N 2.93Å; P71-Y74 VanDerWaalsContact O-N 3.09Å; G72-Y74 PolarHBondContact O-N 2.9Å
75V97.8Very high91.9Very high8 Ų867.4 Ų67.45%0.04835%0.346CS..EExtended strand (participates in β ladder)trans-132.9152.6-170.5-47.30000111.5Y9 R10 A11 L25 L31 P51 M57 F70 G72Y9-V75 HydrophobicContact CD1-CG2 3.82Å; Y9-V75 HydrophobicContact CG-CG2 4.07Å; R10-V75 CarbonylContact O-C 3.54Å; R10-V75 WeakPolarHBondContact O-CA 3.21Å; R10-V75 WeakPolarHBondContact O-CB 3.43Å; A11-V75 HydrophobicContact CB-CG1 4.46Å; L25-V75 HydrophobicContact CD1-CG1 4.08Å; L31-V75 HydrophobicContact CD1-CG1 3.58Å; P51-V75 HydrophobicContact CB-CG2 3.78Å; P51-V75 HydrophobicContact CG-CG2 4.03Å; P51-V75 WeakPolarHBondContact CG-O 3.49Å; M57-V75 HydrophobicContact CE-CG2 4.38Å; F70-V75 HydrophobicContact CD2-CG1 3.82Å; F70-V75 HydrophobicContact CE2-CB 4.46Å; F70-V75 HydrophobicContact CE2-CG1 3.76Å; F70-V75 HydrophobicContact CE2-CG2 3.9Å; G72-V75 WeakPolarHBondContact O-CG2 3.25Å; G72-V75 PolarHBondContact O-N 3.41Å
76E97.6Very high90.1Very high70 Ų7065.5 Ų65.533%0.32736%0.355SS..EExtended strand (participates in β ladder)trans-104.2148.8168.262.2-178.8174.200110.7Y9 R10 L12Y9-E76 CarbonylContact C-O 3.58Å; Y9-E76 WeakPolarHBondContact CA-O 3.37Å; Y9-E76 WeakPolarHBondContact CB-O 3.33Å; R10-E76 HydrophobicContact CB-CG 3.78Å; R10-E76 WeakPolarHBondContact CD-OE1 3.41Å; R10-E76 PolarHBondContact N-O 3.14Å; R10-E76 IonicContact NH1-OE1 3.68Å; R10-E76 PolarHBondContact NH1-OE1 3.42Å; R10-E76 PolarHBondContact O-N 2.9Å; L12-E76 HydrophobicContact CD1-CB 4.21Å; L12-E76 HydrophobicContact CD2-CB 4.34Å; L12-E76 HydrophobicContact CD2-CG 3.92Å; L12-E76 HydrophobicContact CG-CB 4.33Å; L12-E76 HydrophobicContact CG-CG 4.3Å
77F97.6Very high88.1Confident54 Ų5464.2 Ų64.224%0.23736%0.363CS..EExtended strand (participates in β ladder)trans-78.8127.4174.4174.8-100.4000110.4F7 Y9 E48 R49 G79F7-F77 HydrophobicContact CB-CE2 4.06Å; F7-F77 AromaticContact CD1-CE2 3.86Å; F7-F77 HydrophobicContact CD1-CE2 3.86Å; F7-F77 HydrophobicContact CD1-CZ 4.25Å; F7-F77 HydrophobicContact CG-CE2 4.25Å; Y9-F77 HydrophobicContact CD1-CB 4.15Å; Y9-F77 HydrophobicContact CD1-CD2 4.27Å; Y9-F77 HydrophobicContact CE1-CB 4.02Å; Y9-F77 AromaticContact CE1-CD2 3.67Å; Y9-F77 HydrophobicContact CE1-CD2 3.67Å; Y9-F77 HydrophobicContact CE1-CG 4.35Å; Y9-F77 AromaticContact CZ-CD2 3.97Å; E48-F77 HydrophobicContact CB-CE2 4.4Å; E48-F77 HydrophobicContact CG-CE2 3.9Å; E48-F77 HydrophobicContact CG-CZ 4.27Å; E48-F77 WeakPolarHBondContact O-CD2 3.46Å; R49-F77 HydrophobicContact CB-CD1 4.44Å; R49-F77 HydrophobicContact CG-CD1 4.19Å; R49-F77 HydrophobicContact CG-CE1 3.95Å; R49-F77 HydrophobicContact CG-CZ 4.24Å; F77-G79 VanDerWaalsContact CZ-CA 3.42Å
78L96.6Very high86.6Confident84 Ų8460.4 Ų60.444%0.4437%0.365SS..EExtended strand (participates in β ladder)trans-95.4-43.6176.2-67.2-178000112.3Q8 R10 V30Q8-L78 HydrophobicContact CB-CB 4.04Å; Q8-L78 HydrophobicContact CB-CD1 4.36Å; Q8-L78 PolarHBondContact O-N 3.17Å; R10-L78 HydrophobicContact CB-CD1 3.93Å; R10-L78 HydrophobicContact CB-CD2 3.93Å; R10-L78 HydrophobicContact CB-CG 3.92Å; V30-L78 HydrophobicContact CG1-CD1 4.36Å
79G95.1Very high85.1Confident10 Ų1070.5 Ų70.510%0.10340%0.399CS..EExtended strand (participates in β ladder)trans156.8173.2-176.100000115F7 Q8 F77F7-G79 WeakPolarHBondContact CA-O 3.19Å; Q8-G79 PolarHBondContact N-O 3.19Å; Q8-G79 PolarHBondContact O-N 3.42Å; F77-G79 VanDerWaalsContact CZ-CA 3.42Å
80P94.4Very high83.7Confident83 Ų8373.9 Ų73.954%0.53942%0.424SS..EExtended strand (participates in β ladder)trans-65.9148.4170.827.2-32.3000111.9P4 G6 F7P4-P80 HydrophobicContact CB-CB 3.49Å; P4-P80 VanDerWaalsContact CB-CB 3.49Å; P4-P80 HydrophobicContact CG-CB 4.08Å; G6-P80 WeakPolarHBondContact O-CA 3.33Å; F7-P80 HydrophobicContact CD1-CB 4.23Å; F7-P80 HydrophobicContact CE1-CB 4.31Å
81V91.8Very high82.3Confident32 Ų3285 Ų8519%0.19447%0.466CS..EExtended strand (participates in β ladder)trans-132.8139.1174.867.30000111.3E5 G6 Q8 V32 L83E5-V81 PolarHBondContact N-O 3.34Å; G6-V81 PolarHBondContact N-O 3.37Å; G6-V81 PolarHBondContact O-N 3.24Å; Q8-V81 HydrophobicContact CG-CB 3.83Å; Q8-V81 HydrophobicContact CG-CG1 3.86Å; Q8-V81 HydrophobicContact CG-CG2 4.28Å; V32-V81 HydrophobicContact CG1-CG1 4.09Å; V81-L83 HydrophobicContact CG1-CD2 3.86Å; V81-L83 PolarHBondContact O-N 2.77Å
82A84.8Confident81.1Confident85 Ų8587.3 Ų87.370%0.70249%0.491SS*.  trans-77.1110.2166.200000107.8A84A82-A84 PolarHBondContact O-N 3.19Å
83L77.7Confident79.9Confident53 Ų5393.6 Ų93.628%0.27753%0.531SS..  trans-70.2117.9169.8-56.6178.9000106E5 V32 V81 R85E5-L83 HydrophobicContact CB-CB 3.88Å; E5-L83 HydrophobicContact CB-CD1 4.17Å; E5-L83 HydrophobicContact CB-CG 3.9Å; E5-L83 WeakPolarHBondContact O-CD1 3.42Å; V32-L83 HydrophobicContact CG1-CD2 3.28Å; V81-L83 HydrophobicContact CG1-CD2 3.86Å; V81-L83 PolarHBondContact O-N 2.77Å; L83-R85 PolarHBondContact O-N 2.97Å
84A66.1Low78.9Confident97 Ų97100.4 Ų100.480%0.80255%0.55SS*.  trans-61.4112.2173.700000107.6A82 P86A82-A84 PolarHBondContact O-N 3.19Å; A84-P86 WeakPolarHBondContact O-CD 3.46Å
85R61.4Low77.8Confident202 Ų202104 Ų10476%0.76258%0.578SS**  trans-55.4126.2163.9-89.3-179.3162.9177-3.7106.4L83 G87L83-R85 PolarHBondContact O-N 2.97Å; R85-G87 PolarHBondContact O-N 2.82Å
86P59.1Low76.6Confident127 Ų127111 Ų11183%0.82561%0.614SS**  trans-53.9115169.7-0.12.9000106A84A84-P86 WeakPolarHBondContact O-CD 3.46Å
87G53.9Low75.2Confident51 Ų51113.2 Ų113.253%0.52664%0.635SS.*  trans-52147.9-178.200000109.2R85 R89R85-G87 PolarHBondContact O-N 2.82Å; G87-R89 VanDerWaalsContact C-N 3.34Å; G87-R89 PolarHBondContact O-N 3.34Å
88P64.2Low73.7Confident128 Ų128115.3 Ų115.383%0.83166%0.662SS**  trans-54.5105.6174.722.4-30.4000107P90P88-P90 VanDerWaalsContact O-CD 3.32Å; P88-P90 WeakPolarHBondContact O-CD 3.36Å
89R66Low72.1Confident227 Ų227122.4 Ų122.486%0.85768%0.683SS**  trans-55.1122171.7-79.2-177.3179.8-179.5-0.9104.9G87 R91G87-R89 VanDerWaalsContact C-N 3.34Å; G87-R89 PolarHBondContact O-N 3.34Å; R89-R91 PolarHBondContact O-N 3.13Å
90P66.9Low70.5Confident126 Ų126127.7 Ų127.782%0.81872%0.716SS**  trans-55.4110.817515.1-22.3000106.2P88 G92P88-P90 VanDerWaalsContact O-CD 3.32Å; P88-P90 WeakPolarHBondContact O-CD 3.36Å; P90-G92 PolarHBondContact O-N 3.42Å
91R68.1Low68.7Low234 Ų234135.3 Ų135.388%0.88373%0.734SS**PPolyproline II helixtrans-60.9117.5173.1-66.3-178-178.9-174.4-0.4103.8R89R89-R91 PolarHBondContact O-N 3.13Å
92G72.8Confident67.1Low54 Ų54142.2 Ų142.256%0.55777%0.769SS**PPolyproline II helixtrans-51.4157.4173.800000110.2P90 R94P90-G92 PolarHBondContact O-N 3.42Å; G92-R94 PolarHBondContact O-N 3.23Å
93P70.9Confident65.2Low131 Ų131141.2 Ų141.285%0.85177%0.768SS**PPolyproline II helixtrans-51119.5-178.220.2-30.7000109.1P95P93-P95 WeakPolarHBondContact O-CD 3.4Å
94R77.3Confident63.7Low211 Ų211143 Ų14380%0.79679%0.79SS**PPolyproline II helixtrans-55.6124.4173.3178.4-173.7-75174.6-5.2106.2G92 L96G92-R94 PolarHBondContact O-N 3.23Å; R94-L96 PolarHBondContact O-N 3.5Å; R94-L96 VanDerWaalsContact O-N 3.07Å
95P73.7Confident62.8Low117 Ų117144.4 Ų144.476%0.7679%0.791SS**PPolyproline II helixtrans-52.6121.8173.3-23.231.9000108.6P93P93-P95 WeakPolarHBondContact O-CD 3.4Å
96L71.6Confident62Low154 Ų154143.2 Ų143.281%0.80679%0.794SS**PPolyproline II helixtrans-68.9142.8174.5-64.5175.4000108.1R94 A98R94-L96 PolarHBondContact O-N 3.5Å; R94-L96 VanDerWaalsContact O-N 3.07Å; L96-A98 PolarHBondContact O-N 3.35Å
97P70.3Confident61.5Low118 Ų118143 Ų14377%0.76679%0.792SS**PPolyproline II helixtrans-56137.217023.9-31.6000109.2R99P97-R99 PolarHBondContact O-N 2.95Å
98A65.2Low61.3Low98 Ų98143.7 Ų143.781%0.8180%0.8SS**PPolyproline II helixtrans-57.8130.2178.900000109.5L96L96-A98 PolarHBondContact O-N 3.35Å
99R63.5Low60.3Low232 Ų232145.6 Ų145.688%0.87580%0.802SS**PPolyproline II helixtrans-62.1136.7173.9-73.2-175.5176.7176.3-1.4108.9P97 R101P97-R99 PolarHBondContact O-N 2.95Å; R99-R101 PolarHBondContact O-N 3.3Å
100P60.4Low59.5Low122 Ų122141.7 Ų141.779%0.79280%0.804SS**PPolyproline II helixtrans-52126.2167.4-22.933.1000108.7
101R57.9Low58.8Low243 Ų243142.8 Ų142.892%0.91780%0.802SS**PPolyproline II helixtrans-77.4122.7178.7-152.8174.6-178.2-177.5-1106.4R99 G103R99-R101 PolarHBondContact O-N 3.3Å; R101-G103 VanDerWaalsContact C-N 3.29Å; R101-G103 PolarHBondContact O-N 3.04Å
102D56.3Low58.2Low176 Ų176136 Ų13694%0.94179%0.788SS**  trans-64.393.8170.1-69.9-46.6000108.2
103G44.9Very low57.5Low65 Ų65138.8 Ų138.867%0.6779%0.79SS**  trans-136.6131.7176.100000108.4R101R101-G103 VanDerWaalsContact C-N 3.29Å; R101-G103 PolarHBondContact O-N 3.04Å
104A47.9Very low56.9Low90 Ų90137.5 Ų137.574%0.74478%0.776SS**  trans-46.8154.4-173.100000115.1E106A104-E106 PolarHBondContact O-N 3.33Å
105P46.6Very low55.9Low126 Ų126131.6 Ų131.682%0.81877%0.765SS**  trans-76107.2-172.230.7-32000110.8
106E44Very low55.3Low178 Ų178133 Ų13383%0.83276%0.761SS**  trans-92.7132.4164.3-78.2-73102.800109.6A104A104-E106 PolarHBondContact O-N 3.33Å
107P49.9Very low54.7Low121 Ų121132.2 Ų132.279%0.78675%0.754SS**SBendtrans-82.5125.7-173.432.7-31.4000109.9
108G49.8Very low54.1Low67 Ų67134.2 Ų134.269%0.69175%0.75SS**  trans165.1-2.4169.200000120.2
109L42.2Very low53.8Low168 Ų168132.8 Ų132.888%0.8874%0.735SS**  trans-135.385.1174.4-63.8173.8000108.9L111L109-L111 PolarHBondContact O-N 3.27Å
110T49.5Very low53.6Low144 Ų144127 Ų12788%0.88373%0.727SS**  trans-53.3103.6163.336.40000107.9
111L52.1Low53.7Low149 Ų149125.7 Ų125.778%0.7872%0.719SS**PPolyproline II helixtrans-47128.8163.5-84.9165.7000107.6L109 D113L109-L111 PolarHBondContact O-N 3.27Å; L111-D113 PolarHBondContact O-N 3.21Å
112P54.5Low54Low91 Ų91122.3 Ų122.359%0.59172%0.719SS**PPolyproline II helixtrans-54.4130.9168.2-20.431.4000108.3L114P112-L114 PolarHBondContact O-N 3.26Å
113D60Low54.7Low113 Ų113119.6 Ų119.660%0.60471%0.708SS**PPolyproline II helixtrans-55.2124.2-177.1-145.4-11.5000108.9L111 P115 E116L111-D113 PolarHBondContact O-N 3.21Å; D113-P115 VanDerWaalsContact C-N 3.29Å; D113-P115 HydrophobicContact CB-CG 4.26Å; D113-P115 WeakPolarHBondContact O-CD 3.43Å; D113-P115 VanDerWaalsContact OD1-CD 3.32Å; D113-P115 WeakPolarHBondContact OD1-CD 3.32Å; D113-E116 PolarHBondContact O-N 3.38Å
114L57.1Low55.9Low104 Ų104118.9 Ų118.955%0.54570%0.696SS.*Hα-helixtrans-54.7-28.1-177.9-90.8112.4000115.6P112 E116 Q117 F118P112-L114 PolarHBondContact O-N 3.26Å; L114-E116 VanDerWaalsContact C-N 3.29Å; L114-E116 PolarHBondContact O-N 3.32Å; L114-Q117 PolarHBondContact O-N 2.75Å; L114-F118 HydrophobicContact CD2-CE2 4.07Å
115P57.5Low57.3Low88 Ų88117.7 Ų117.757%0.57168%0.681SS**Hα-helixtrans-66.3-26.8178.624.6-34.8000114D113 S119D113-P115 VanDerWaalsContact C-N 3.29Å; D113-P115 HydrophobicContact CB-CG 4.26Å; D113-P115 WeakPolarHBondContact O-CD 3.43Å; D113-P115 VanDerWaalsContact OD1-CD 3.32Å; D113-P115 WeakPolarHBondContact OD1-CD 3.32Å; P115-S119 PolarHBondContact O-N 3.32Å
116E59.4Low58.6Low146 Ų146116.8 Ų116.868%0.68268%0.675SS**Hα-helixtrans-77.5-31.6176.4-106.6134.6156.400112.3D113 L114 F118 S119D113-E116 PolarHBondContact O-N 3.38Å; L114-E116 VanDerWaalsContact C-N 3.29Å; L114-E116 PolarHBondContact O-N 3.32Å; E116-F118 VanDerWaalsContact C-N 3.3Å; E116-F118 PolarHBondContact O-N 3.37Å; E116-S119 WeakPolarHBondContact O-CB 3.49Å; E116-S119 PolarHBondContact O-N 2.94Å; E116-S119 PolarHBondContact O-OG 2.8Å
117Q59Low60.3Low138 Ų138114.8 Ų114.865%0.64567%0.669SS**Hα-helixtrans-73.3-23.4-175.7-139.2177.17.400113.6L114L114-Q117 PolarHBondContact O-N 2.75Å
118F58.2Low61.7Low159 Ų159113.6 Ų113.670%0.69766%0.655SS**THydrogen-bonded Turntrans-109.412174.1-69.2-82.2000112.8L114 E116 P120L114-F118 HydrophobicContact CD2-CE2 4.07Å; E116-F118 VanDerWaalsContact C-N 3.3Å; E116-F118 PolarHBondContact O-N 3.37Å; F118-P120 WeakPolarHBondContact O-CD 3.3Å
119S59.7Low63.2Low69 Ų69114.1 Ų114.148%0.48365%0.645SS.*PPolyproline II helixtrans-60.7122.5169.761.90000108.1P115 E116P115-S119 PolarHBondContact O-N 3.32Å; E116-S119 WeakPolarHBondContact O-CB 3.49Å; E116-S119 PolarHBondContact O-N 2.94Å; E116-S119 PolarHBondContact O-OG 2.8Å
120P58.6Low65.1Low110 Ų110112.8 Ų112.871%0.71463%0.632SS**PPolyproline II helixtrans-59.1136.2174.424.5-31.1000107.3F118 D122F118-P120 WeakPolarHBondContact O-CD 3.3Å; P120-D122 PolarHBondContact O-N 3.03Å; P120-D122 VanDerWaalsContact O-N 3.09Å
121P63.5Low66.7Low95 Ų95110.9 Ų110.962%0.61762%0.616SS**PPolyproline II helixtrans-54.5124.817721.1-30.9000108.4V123P121-V123 CarbonylContact O-C 3.52Å; P121-V123 PolarHBondContact O-N 3.07Å
122D63.8Low68.3Low172 Ų172107.1 Ų107.192%0.9260%0.599SS**SBendtrans-56.2-21.7-176.8-163.538.9000111.8P120P120-D122 PolarHBondContact O-N 3.03Å; P120-D122 VanDerWaalsContact O-N 3.09Å
123V71.6Confident69.6Low118 Ų118106.2 Ų106.272%0.71559%0.587SS**SBendtrans-104.1112.6172.6-178.40000110.4P121P121-V123 CarbonylContact O-C 3.52Å; P121-V123 PolarHBondContact O-N 3.07Å
124A69.7Low70.5Confident51 Ų51103.2 Ų103.242%0.42158%0.578SS.*  trans-58.4131.3172.700000110.8V129A124-V129 HydrophobicContact CB-CG2 4.13Å
125P76.7Confident71.8Confident65 Ų65101.6 Ų101.642%0.42257%0.569SS.*  trans-49.5136173.2-3032.8000111.9L127 L128 V129P125-L127 PolarHBondContact O-N 3.19Å; P125-L128 HydrophobicContact CG-CD1 4.4Å; P125-L128 WeakPolarHBondContact O-CB 3.48Å; P125-L128 PolarHBondContact O-N 3.38Å; P125-V129 PolarHBondContact O-N 3.29Å
126P73.9Confident73Confident106 Ų106104.4 Ų104.469%0.68857%0.574SS**Hα-helixtrans-55.5-26-172.6-26.732.3000114.5K130P126-K130 VanDerWaalsContact O-CG 3.3Å; P126-K130 WeakPolarHBondContact O-CG 3.44Å; P126-K130 PolarHBondContact O-N 2.99Å
127L78.9Confident73.6Confident136 Ų136106.3 Ų106.371%0.71258%0.575SS**Hα-helixtrans-65.8-38.9176.9-171.467.1000112.3P125 K130 L131P125-L127 PolarHBondContact O-N 3.19Å; L127-K130 PolarHBondContact O-N 2.95Å; L127-L131 WeakPolarHBondContact O-CB 3.23Å; L127-L131 PolarHBondContact O-N 3.39Å
128L81.1Confident74.1Confident96 Ų96105 Ų10550%0.50358%0.577SS.*Hα-helixtrans-69.7-41.7178.2-73.4172.6000110.7P125 K130 L131 V132P125-L128 HydrophobicContact CG-CD1 4.4Å; P125-L128 WeakPolarHBondContact O-CB 3.48Å; P125-L128 PolarHBondContact O-N 3.38Å; L128-K130 VanDerWaalsContact C-N 3.33Å; L128-K130 PolarHBondContact O-N 3.35Å; L128-L131 WeakPolarHBondContact O-CB 3.33Å; L128-L131 PolarHBondContact O-N 3.34Å; L128-L131 VanDerWaalsContact O-N 3.15Å; L128-V132 WeakPolarHBondContact O-CG2 3.43Å; L128-V132 PolarHBondContact O-N 3.22Å
129V81.1Confident74.5Confident79 Ų7999.1 Ų99.148%0.47956%0.562SS.*Hα-helixtrans-57.4-47.9174.1-179.70000110.6A124 P125 L131 V132 E133A124-V129 HydrophobicContact CB-CG2 4.13Å; P125-V129 PolarHBondContact O-N 3.29Å; V129-L131 VanDerWaalsContact C-N 3.3Å; V129-L131 PolarHBondContact O-N 3.38Å; V129-V132 PolarHBondContact O-N 3.47Å; V129-E133 VanDerWaalsContact O-CB 3.23Å; V129-E133 WeakPolarHBondContact O-CB 3.49Å; V129-E133 PolarHBondContact O-N 3.41Å
130K80.4Confident74.4Confident140 Ų140102.7 Ų102.761%0.60957%0.574SS**Hα-helixtrans-64.1-33.6177.6-72.7-179.668.1175.80113.5P126 L127 L128 A134P126-K130 VanDerWaalsContact O-CG 3.3Å; P126-K130 WeakPolarHBondContact O-CG 3.44Å; P126-K130 PolarHBondContact O-N 2.99Å; L127-K130 PolarHBondContact O-N 2.95Å; L128-K130 VanDerWaalsContact C-N 3.33Å; L128-K130 PolarHBondContact O-N 3.35Å; K130-A134 WeakPolarHBondContact O-CB 3.18Å; K130-A134 PolarHBondContact O-N 3.24Å
131L83.1Confident74.2Confident103 Ų103104.9 Ų104.954%0.53958%0.58SS.*Hα-helixtrans-69.9-47.5177.6-167.287.6000110.4L127 L128 V129 A134 I135L127-L131 WeakPolarHBondContact O-CB 3.23Å; L127-L131 PolarHBondContact O-N 3.39Å; L128-L131 WeakPolarHBondContact O-CB 3.33Å; L128-L131 PolarHBondContact O-N 3.34Å; L128-L131 VanDerWaalsContact O-N 3.15Å; V129-L131 VanDerWaalsContact C-N 3.3Å; V129-L131 PolarHBondContact O-N 3.38Å; L131-A134 WeakPolarHBondContact O-CB 3.45Å; L131-A134 PolarHBondContact O-N 2.77Å; L131-I135 HydrophobicContact CD2-CD1 4.35Å; L131-I135 HydrophobicContact CG-CD1 4.17Å; L131-I135 WeakPolarHBondContact O-CD1 3.48Å; L131-I135 VanDerWaalsContact O-CG1 3.23Å; L131-I135 WeakPolarHBondContact O-CG1 3.33Å; L131-I135 PolarHBondContact O-N 3.09Å
132V85.8Confident73.6Confident70 Ų70103 Ų10342%0.42457%0.569SS.*Hα-helixtrans-62.4-48.1177.9172.40000110.4L128 V129 A134 I135 E136L128-V132 WeakPolarHBondContact O-CG2 3.43Å; L128-V132 PolarHBondContact O-N 3.22Å; V129-V132 PolarHBondContact O-N 3.47Å; V132-A134 VanDerWaalsContact C-N 3.28Å; V132-A134 PolarHBondContact O-N 2.92Å; V132-I135 WeakPolarHBondContact O-CB 3.37Å; V132-I135 PolarHBondContact O-N 2.96Å; V132-I135 VanDerWaalsContact O-N 3.07Å; V132-E136 HydrophobicContact CG1-CG 4.34Å; V132-E136 WeakPolarHBondContact CG1-OE1 3.39Å; V132-E136 WeakPolarHBondContact O-CG 3.34Å; V132-E136 PolarHBondContact O-N 2.67Å
133E82.2Confident73.1Confident73 Ų73104 Ų10434%0.34157%0.568SS.*Hα-helixtrans-61.4-36.5176.7-170.1-172.6-170.500111.9V129 R137V129-E133 VanDerWaalsContact O-CB 3.23Å; V129-E133 WeakPolarHBondContact O-CB 3.49Å; V129-E133 PolarHBondContact O-N 3.41Å; E133-R137 VanDerWaalsContact O-CB 3.28Å; E133-R137 WeakPolarHBondContact O-CB 3.28Å; E133-R137 WeakPolarHBondContact O-CG 3.5Å; E133-R137 PolarHBondContact O-N 3.45Å; E133-R137 IonicContact OE1-CZ 2.85Å; E133-R137 IonicContact OE1-NH1 2.86Å; E133-R137 PolarHBondContact OE1-NH1 3.36Å; E133-R137 IonicContact OE1-NH2 3.54Å; E133-R137 PolarHBondContact OE1-NH2 3.44Å; E133-R137 IonicContact OE2-NH1 2.68Å
134A79.7Confident72.3Confident49 Ų49101.3 Ų101.341%0.40556%0.555SS.*Hα-helixtrans-65.1-44.6173.700000111.2K130 L131 V132 R137 T138K130-A134 WeakPolarHBondContact O-CB 3.18Å; K130-A134 PolarHBondContact O-N 3.24Å; L131-A134 WeakPolarHBondContact O-CB 3.45Å; L131-A134 PolarHBondContact O-N 2.77Å; V132-A134 VanDerWaalsContact C-N 3.28Å; V132-A134 PolarHBondContact O-N 2.92Å; A134-R137 PolarHBondContact O-N 3.06Å; A134-T138 WeakPolarHBondContact O-CB 3.23Å; A134-T138 WeakPolarHBondContact O-CG2 3.46Å; A134-T138 PolarHBondContact O-N 2.87Å; A134-T138 PolarHBondContact O-OG1 3.48Å
135I83.1Confident71.4Confident71 Ų71105.5 Ų105.536%0.36457%0.565SS.*Hα-helixtrans-61.5-48177.9-67.9161.4000110.4L131 V132 T138 G139 L140L131-I135 HydrophobicContact CD2-CD1 4.35Å; L131-I135 HydrophobicContact CG-CD1 4.17Å; L131-I135 WeakPolarHBondContact O-CD1 3.48Å; L131-I135 VanDerWaalsContact O-CG1 3.23Å; L131-I135 WeakPolarHBondContact O-CG1 3.33Å; L131-I135 PolarHBondContact O-N 3.09Å; V132-I135 WeakPolarHBondContact O-CB 3.37Å; V132-I135 PolarHBondContact O-N 2.96Å; V132-I135 VanDerWaalsContact O-N 3.07Å; I135-T138 PolarHBondContact O-N 3.28Å; I135-T138 PolarHBondContact O-OG1 3.37Å; I135-G139 PolarHBondContact O-N 2.99Å; I135-L140 HydrophobicContact CG2-CD1 3.63Å; I135-L140 HydrophobicContact CG2-CG 4.03Å
136E83Confident70Confident146 Ų146113.3 Ų113.368%0.68259%0.588SS**Hα-helixtrans-64.2-40179.1-70.6174.5171.100112.1V132V132-E136 HydrophobicContact CG1-CG 4.34Å; V132-E136 WeakPolarHBondContact CG1-OE1 3.39Å; V132-E136 WeakPolarHBondContact O-CG 3.34Å; V132-E136 PolarHBondContact O-N 2.67Å
137R73.6Confident68.3Low186 Ų186118.3 Ų118.370%0.70259%0.593SS**Hα-helixtrans-70.1-33.5174.5-78.7-160.3179.6105.410113.6E133 A134E133-R137 VanDerWaalsContact O-CB 3.28Å; E133-R137 WeakPolarHBondContact O-CB 3.28Å; E133-R137 WeakPolarHBondContact O-CG 3.5Å; E133-R137 PolarHBondContact O-N 3.45Å; E133-R137 IonicContact OE1-CZ 2.85Å; E133-R137 IonicContact OE1-NH1 2.86Å; E133-R137 PolarHBondContact OE1-NH1 3.36Å; E133-R137 IonicContact OE1-NH2 3.54Å; E133-R137 PolarHBondContact OE1-NH2 3.44Å; E133-R137 IonicContact OE2-NH1 2.68Å; A134-R137 PolarHBondContact O-N 3.06Å
138T69.6Low66.9Low110 Ų110117.7 Ų117.768%0.67560%0.597SS**Hα-helixtrans-83.2-16.8179.752.80000113.4A134 I135A134-T138 WeakPolarHBondContact O-CB 3.23Å; A134-T138 WeakPolarHBondContact O-CG2 3.46Å; A134-T138 PolarHBondContact O-N 2.87Å; A134-T138 PolarHBondContact O-OG1 3.48Å; I135-T138 PolarHBondContact O-N 3.28Å; I135-T138 PolarHBondContact O-OG1 3.37Å
139G64.8Low64.7Low37 Ų37121.3 Ų121.338%0.38161%0.612SS.*  trans71.1136.2-174.700000112.3I135 D141I135-G139 PolarHBondContact O-N 2.99Å; G139-D141 PolarHBondContact O-N 3.15Å
140L57.8Low62.8Low143 Ų143125.5 Ų125.575%0.74963%0.63SS**SBendtrans-83.99.9172.9-107.1154.1000112.5I135 S142I135-L140 HydrophobicContact CG2-CD1 3.63Å; I135-L140 HydrophobicContact CG2-CG 4.03Å; L140-S142 PolarHBondContact O-N 3Å
141D54.4Low61.4Low156 Ų156124.4 Ų124.483%0.83464%0.638SS**  trans-83.949.1-176.1-60.3-41.6000112.9G139 E143G139-D141 PolarHBondContact O-N 3.15Å; D141-E143 VanDerWaalsContact C-N 3.28Å; D141-E143 PolarHBondContact O-N 3.48Å
142S51.7Low59.2Low56 Ų56124 Ų12439%0.39265%0.65SS.*  trans-85.681159.6600000108.7L140 S144L140-S142 PolarHBondContact O-N 3Å; S142-S144 PolarHBondContact O-N 3.42Å
143E53.6Low57.1Low192 Ų192126.5 Ų126.590%0.89767%0.667SS**  trans-62.962.7176.5-142.3-106.3148.100111.2D141D141-E143 VanDerWaalsContact C-N 3.28Å; D141-E143 PolarHBondContact O-N 3.48Å
144S53.8Low55.1Low62 Ų62134.2 Ų134.243%0.43469%0.693SS.*  trans-159.331.7-178.3600000114.2S142 R164S142-S144 PolarHBondContact O-N 3.42Å; S144-R164 PolarHBondContact OG-NH1 3.35Å
145H52Low53Low139 Ų139138.9 Ų138.964%0.64472%0.717SS**SBendtrans-122.43.7-178.7-71.2-57.8000116.8
146Y46.5Very low50.6Low229 Ų229138.7 Ų138.790%0.89873%0.732SS**SBendtrans-146.180.4168-104.4-85.4000112.6
147R38.8Very low48.2Very low212 Ų212139 Ų13980%0.874%0.744SS**  trans-156.7120.4145.8-154.6170.4-179.4142.4-1.7111.1
148P49.4Very low46.6Very low122 Ų122135.7 Ų135.779%0.79275%0.749SS**  trans-85.2125.7172.531.8-28.1000109.5
149E35.3Very low45.6Very low173 Ų173136.4 Ų136.481%0.80876%0.755SS**  trans-137.9133.3167.6-126.8171-164.400111.7
150L39.5Very low44Very low166 Ų166139.1 Ų139.187%0.86977%0.774SS**  trans-75.9168.6-170.1-77.7164.9000113.1
151P52.3Low43.4Very low118 Ų118140.8 Ų140.877%0.76678%0.783SS**  trans-99.7161.8-155.937.3-33.4000117
152A36.6Very low42.5Very low95 Ų95139.4 Ų139.479%0.78578%0.78SS**  trans97.5160.2152.800000118
153P41Very low42.3Very low121 Ų121142 Ų14279%0.78680%0.798SS**  cis-129164.5-6.533-12.2000116.4
154R39.8Very low41.8Very low236 Ų236142 Ų14289%0.89179%0.79SS**  trans-8.9133.6165.1-57.1178.5171.9-150.8-4.3120.6
155T35.8Very low41.4Very low147 Ų147150.5 Ų150.590%0.90281%0.813SS**  -170.7137.1113.927.20000112.3
156G33.1Very low41.3Very low66 Ų66149.2 Ų149.268%0.6882%0.818SS**  trans91.5110.8139.600000119.9
157V33.6Very low40.7Very low154 Ų154148.7 Ų148.793%0.93382%0.815SS**  trans62.6120147.3-73.70000121.3
158S38.3Very low40.6Very low116 Ų116150.3 Ų150.381%0.81182%0.821SS**  trans-74.6-172.7170.2-37.40000112.2
159P49.4Very low40.1Very low124 Ų124155.4 Ų155.481%0.80582%0.824SS**  cis-130.8143.3-16.132.8-14.4000112.9
160A30.8Very low40.5Very low94 Ų94150.8 Ų150.878%0.77781%0.811SS**  trans-150.4107.4159.200000110.2T162A160-T162 PolarHBondContact O-N 2.86Å
161L45.7Very low40.9Very low179 Ų179147.7 Ų147.794%0.93780%0.802SS**  trans-60.7111161.9-88147.7000108.8
162T35.7Very low40Very low126 Ų126151.2 Ų151.277%0.77381%0.806SS**  trans-146.2125.1151.244.40000111.3A160A160-T162 PolarHBondContact O-N 2.86Å
163S46.9Very low40.1Very low111 Ų111156.2 Ų156.278%0.77680%0.804SS**SBendtrans60.695.4136.9-153.50000117.9
164R44.7Very low40Very low191 Ų191156.6 Ų156.672%0.72180%0.8SS**SBendtrans174.7-0.6136.8-97.2167.7-176.3-135.72.9116.4S144S144-R164 PolarHBondContact OG-NH1 3.35Å
165R44.8Very low40Very low241 Ų241151.5 Ų151.591%0.90980%0.795SS**SBendtrans-96.9-0.3176.3-80-174.2-169-110.70.7116.5
166C48.7Very low40.3Very low112 Ų112156.5 Ų156.576%0.75780%0.798SS**SBendtrans-90.6-11.2-174.9-74.60000115.9
167W34.8Very low40.7Very low218 Ų218162 Ų16283%0.82680%0.803SS**SBendtrans-82-37.8-171-116.460.8000114.6R169 S170W167-R169 VanDerWaalsContact C-N 3.34Å; W167-R169 PolarHBondContact O-N 2.89Å; W167-S170 PolarHBondContact O-N 3.42Å
168W37.4Very low40.8Very low247 Ų247160.4 Ų160.494%0.93680%0.798SS**Hα-helixtrans-74.2-23.4-176.6-142.9-67.2000114S170W168-S170 VanDerWaalsContact C-N 3.27Å; W168-S170 PolarHBondContact O-N 2.79Å
169R39Very low40.8Very low228 Ų228164.8 Ų164.886%0.8680%0.797SS**Hα-helixtrans-77.7-9.5176.2-92.6-179.4160.5-137.7-1.8113.8W167W167-R169 VanDerWaalsContact C-N 3.34Å; W167-R169 PolarHBondContact O-N 2.89Å
170S43.1Very low40.3Very low76 Ų76168.8 Ų168.853%0.53180%0.796SS.*Hα-helixtrans-96.4-23.4-173.9-155.30000114.7W167 W168W167-S170 PolarHBondContact O-N 3.42Å; W168-S170 VanDerWaalsContact C-N 3.27Å; W168-S170 PolarHBondContact O-N 2.79Å
171C47Very low40.6Very low101 Ų101172.7 Ų172.768%0.68280%0.803SS**Hα-helixtrans-90.4-20.5-176.6-72.50000115.3
172F33.8Very low39.9Very low193 Ų193175.5 Ų175.585%0.84680%0.801SS**THydrogen-bonded Turntrans-89.3-1.3177.6-139.9-95.4000114
173R37.8Very low40Very low199 Ų199175.4 Ų175.475%0.75180%0.803SS**THydrogen-bonded Turntrans-97.515.1-178.8-137.2176-152-134.71.8114
174N39.5Very low39.3Very low130 Ų130179 Ų17970%0.69581%0.807SS**SBendtrans-116.335.7-172.7-80.7-6.3000114.8
175T41Very low38.7Very low128 Ų128180.4 Ų180.479%0.78581%0.813SS**SBendtrans-125.95.916430.30000114.6
176W40.5Very low38.1Very low253 Ų253175.2 Ų175.296%0.95881%0.812SS**SBendtrans-127.820.5178.5-109.259.7000114.8
177K41.8Very low37.4Very low181 Ų181180.2 Ų180.279%0.78782%0.815SS**  trans-141.464.2170.9-79.8-170.7175.9-173.80111.6
178S37.1Very low37.4Very low120 Ų120178.1 Ų178.184%0.83982%0.818SS**  trans-144.277.3161.6-85.50000110.3
179R37.7Very low37.2Very low209 Ų209173.4 Ų173.479%0.78981%0.812SS**SBendtrans-149.6108.6142.1-114172.4-165.7-128-0.5110.7
180R38.1Very low37.2Very low207 Ų207166.8 Ų166.878%0.78180%0.798SS**  trans8396.9156.3-65-173-104.7-105.99.3118.1
181L37.3Very low37.1Very low176 Ų176168.2 Ų168.292%0.92181%0.806SS**  trans-57.9131.5145.1-69.3159.1000110.4
182R32.2Very low37.3Very low239 Ų239169.6 Ų169.690%0.90280%0.796SS**  -153.3149.5119.2-98.4-166.3-164-137.43.6109.8
183P37.6Very low37.8Very low124 Ų124168.2 Ų168.281%0.80579%0.793SS**  trans-87.7122.2-166.833.6-30.1000110.5
184Q31Very low38.3Very low187 Ų187162 Ų16287%0.87478%0.78SS**  trans-121.6106157-85.5-171.46.900108.4
185R31.6Very low38.8Very low220 Ų220165.4 Ų165.483%0.8378%0.783SS**  trans23.3108.9141.4-153170.7-168.4-124.82114.6R187R185-R187 PolarHBondContact O-N 3.07Å
186C33.5Very low38.9Very low131 Ų131164.3 Ų164.389%0.88578%0.778SS**  trans-48.197.3169.4-55.60000110.7
187R33Very low39.1Very low218 Ų218156.3 Ų156.382%0.82376%0.759SS**  trans-92.7114149.8-74.1-165.8-174.2-140.84.6105.5R185 N189R185-R187 PolarHBondContact O-N 3.07Å; R187-N189 PolarHBondContact O-N 2.94Å
188L36.3Very low39.1Very low173 Ų173154.5 Ų154.591%0.90675%0.753SS**  trans-50108.7163.5-75.6150.3000107
189N32Very low39.3Very low149 Ų149154.4 Ų154.480%0.79775%0.753SS**PPolyproline II helixtrans-68.1127.6167.7-112.9-47.5000106.3R187R187-N189 PolarHBondContact O-N 2.94Å
190P40.4Very low40.1Very low88 Ų88154.5 Ų154.557%0.57175%0.753SS**PPolyproline II helixtrans-64.2163.5175.328.8-32.7000109.8R192P190-R192 PolarHBondContact O-N 3.32Å
191P39.7Very low40.3Very low106 Ų106149.6 Ų149.669%0.68875%0.748SS**PPolyproline II helixtrans-50.7137.6172.922.1-33.1000109.4Q193P191-Q193 PolarHBondContact O-N 3.29Å
192R51.9Low40.5Very low130 Ų130150.6 Ų150.649%0.49175%0.75SS.*  trans-59.288.2174-87-170.3-177.5-1418.9108R19 P190 S194R19-R192 VanDerWaalsContact NH1-NH2 3.13Å; P190-R192 PolarHBondContact O-N 3.32Å; R192-S194 PolarHBondContact O-N 2.86Å
193Q43.6Very low41Very low164 Ų164148 Ų14877%0.76675%0.749SS**  trans-7297.1170.7-71.3-178.447.100106.6P191 R195P191-Q193 PolarHBondContact O-N 3.29Å; Q193-R195 PolarHBondContact O-N 2.9Å
194S49.4Very low41Very low69 Ų69145.6 Ų145.648%0.48375%0.746SS.*PPolyproline II helixtrans-54.6117.2154.733.80000106.8R192R192-S194 PolarHBondContact O-N 2.86Å
195R49.1Very low41.4Very low201 Ų201141.2 Ų141.276%0.75874%0.742SS**PPolyproline II helixtrans-56.7135.9167.3-77.1-179.7174.1-168.6-2.2107.5Q193Q193-R195 PolarHBondContact O-N 2.9Å
196P43.5Very low41.9Very low106 Ų106139.6 Ų139.669%0.68874%0.743SS**PPolyproline II helixtrans-56.2150.7170.225.2-32.4000108.9Q198P196-Q198 PolarHBondContact O-N 2.91Å; P196-Q198 VanDerWaalsContact O-N 3.08Å
197P44Very low42.8Very low84 Ų84138.6 Ų138.655%0.54574%0.735SS.*PPolyproline II helixtrans-53.8123.4176.923.5-31.9000107.8S199P197-S199 PolarHBondContact O-N 2.7Å; P197-S199 VanDerWaalsContact O-N 3.09Å
198Q41.3Very low43.3Very low143 Ų143133.7 Ų133.767%0.66873%0.732SS**PPolyproline II helixtrans-54.8121.9173.9-72.5-178.731.200107P196 W200P196-Q198 PolarHBondContact O-N 2.91Å; P196-Q198 VanDerWaalsContact O-N 3.08Å; Q198-W200 VanDerWaalsContact O-CD1 3.28Å; Q198-W200 PolarHBondContact O-N 2.68Å; Q198-W200 VanDerWaalsContact O-N 3.1Å
199S43.2Very low43.4Very low119 Ų119131.6 Ų131.683%0.83273%0.73SS**  trans-55.3115.3172.648.30000108.1P197P197-S199 PolarHBondContact O-N 2.7Å; P197-S199 VanDerWaalsContact O-N 3.09Å
200W54.1Low43.9Very low211 Ų211135.8 Ų135.880%0.79973%0.734SS**  trans-78.5146.3171.8-67.691.5000109.7Q198 M202Q198-W200 VanDerWaalsContact O-CD1 3.28Å; Q198-W200 PolarHBondContact O-N 2.68Å; Q198-W200 VanDerWaalsContact O-N 3.1Å; W200-M202 PolarHBondContact O-N 3.42Å
201P41.8Very low43.8Very low103 Ų103140 Ų14067%0.66975%0.749SS**  trans-65.2125.717228.4-31.3000108.5E203P201-E203 VanDerWaalsContact C-N 3.29Å; P201-E203 PolarHBondContact O-N 2.93Å
202M42.3Very low44Very low197 Ų197143.3 Ų143.397%0.9776%0.76SS**  trans-64.692.7161.8-81-78.7-161.800107.7W200W200-M202 PolarHBondContact O-N 3.42Å
203E42.4Very low43.7Very low186 Ų186142 Ų14287%0.86977%0.771SS**  trans-138.8109.8169.3-157.9155.8117.600109.2P201P201-E203 VanDerWaalsContact C-N 3.29Å; P201-E203 PolarHBondContact O-N 2.93Å
204G36.6Very low43.8Very low73 Ų73137.9 Ų137.975%0.75377%0.772SS**  trans160.453.5177.700000116.5
205A39Very low43.7Very low95 Ų95140.9 Ų140.979%0.78579%0.788SS**  trans44.3101.5145.800000118.9
206H43Very low43.4Very low185 Ų185135.5 Ų135.586%0.85679%0.794SS**PPolyproline II helixtrans-59.9128.8146-76.9-99.9000109.4
207P51.8Low43.3Very low110 Ų110134.1 Ų134.171%0.71480%0.799SS**PPolyproline II helixtrans-71.9135.2158.128.7-29.1000108.5C209P207-C209 PolarHBondContact O-N 3.17Å
208P44.7Very low43.6Very low116 Ų116137.1 Ų137.175%0.75382%0.816SS**PPolyproline II helixtrans-68.7131172.527.6-30.9000109.1R210P208-R210 PolarHBondContact O-N 3.28Å
209C37.7Very low43.7Very low129 Ų129140 Ų14087%0.87283%0.827SS**  trans-53.7103.3165.3-71.90000109P207 M211P207-C209 PolarHBondContact O-N 3.17Å; C209-M211 PolarHBondContact O-N 3.25Å; C209-M211 VanDerWaalsContact O-N 3.14Å
210R41.4Very low43.9Very low236 Ų236143.9 Ų143.989%0.89183%0.832SS**  trans-68107.5167.5-103.4-175.3169.3177.9-2.8107.8P208 L212P208-R210 PolarHBondContact O-N 3.28Å; R210-L212 PolarHBondContact O-N 3.27Å
211M39.9Very low43.6Very low178 Ų178136.5 Ų136.588%0.87782%0.821SS**  trans-52.7114.6158-72.8-79.8-147.900108.2C209 S213C209-M211 PolarHBondContact O-N 3.25Å; C209-M211 VanDerWaalsContact O-N 3.14Å; M211-S213 PolarHBondContact O-N 2.71Å
212L43.7Very low43.8Very low174 Ų174143.3 Ų143.391%0.91183%0.834SS**  trans-79.193.5164.9-73.9166.7000107.3R210 G214R210-L212 PolarHBondContact O-N 3.27Å; L212-G214 PolarHBondContact O-N 3.21Å
213S44.9Very low44.1Very low104 Ų104149.4 Ų149.473%0.72785%0.846SS**  trans-66.9103.4162.533.30000108.9M211 T215M211-S213 PolarHBondContact O-N 2.71Å; S213-T215 PolarHBondContact O-N 2.97Å
214G46.6Very low44.2Very low77 Ų77147.6 Ų147.679%0.79485%0.845SS**  trans-69.4113.7168.600000110.2L212L212-G214 PolarHBondContact O-N 3.21Å
215T47.1Very low44.6Very low132 Ų132151.5 Ų151.581%0.8185%0.849SS**  trans-143.9123.116536.60000110.4S213S213-T215 PolarHBondContact O-N 2.97Å
216G42.3Very low44.9Very low87 Ų87154.6 Ų154.690%0.89785%0.853SS**  trans73.5101.314300000118.9
217G41.3Very low45Very low77 Ų77152.8 Ų152.879%0.79485%0.853SS**  trans-149.696.9161.600000110.5
218T51.4Low44.6Very low147 Ų147155.5 Ų155.590%0.90286%0.861SS**  trans-62.4127.8179.434.40000112.2
219F42.4Very low44.6Very low203 Ų203158.1 Ų158.189%0.8987%0.869SS**  trans-93.3100.5172.7-162.7-97.6000109
220Q47.7Very low45.1Very low202 Ų202160.2 Ų160.294%0.94487%0.868SS**  trans-87.3105.1163.5-101.9-171.358.100108.5
221G47Very low45.4Very low55 Ų55154.4 Ų154.457%0.56787%0.867SS**  trans-110.7119.1172.700000110.4
222R47.4Very low45.8Very low246 Ų246152.4 Ų152.493%0.92887%0.866SS**  trans-35.5137.9174.1-65.8170176.8-162.6-3.5115.6
223R48.1Very low46Very low325 Ų325150.5 Ų150.5100%1.22686%0.862SS**  -154.50114.8-101.5-174.9-160.9-129.23.6110

Retrieved 223 of 223 residues in 34.3 ms (Link to these results)

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