A0A077Z9Z6_TRITR Loading...

FERM N domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9Z6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 117 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
1M42.5Very low80.3Confident226 Ų22684.5 Ų84.5100%1.11345%0.45SS*.  0136.40-63.3-173.9175.400106.9E3M1-E3 PolarHBondContact O-N 2.86Å
2P53.9Low81.2Confident128 Ų12879.4 Ų79.483%0.83143%0.425SS*.  trans-66.9119.2179.226.7-30.9000108.8K4P2-K4 PolarHBondContact O-N 3.4Å; P2-K4 VanDerWaalsContact O-N 3.13Å
3E67Low81.4Confident118 Ų11888 Ų8855%0.55146%0.464SS*.  trans-54.4119.1170.3-99.2125.27500108.4M1 S5 Q22M1-E3 PolarHBondContact O-N 2.86Å; E3-S5 PolarHBondContact O-N 2.98Å; E3-Q22 PolarHBondContact OE1-NE2 3Å
4K78.3Confident81.8Confident171 Ų17193.6 Ų93.674%0.74350%0.495SS*.  trans-62.2115.4175.1-80.4-163.1167.593.40108.5P2 S23P2-K4 PolarHBondContact O-N 3.4Å; P2-K4 VanDerWaalsContact O-N 3.13Å; K4-S23 PolarHBondContact O-N 3.11Å
5S85.1Confident82.4Confident88 Ų8890.4 Ų90.462%0.61549%0.487SS*.EExtended strand (participates in β ladder)trans-75.6143.2168.251.80000110.1E3 I21E3-S5 PolarHBondContact O-N 2.98Å; S5-I21 CarbonylContact C-O 3.56Å; S5-I21 VanDerWaalsContact CA-O 3.26Å; S5-I21 WeakPolarHBondContact CA-O 3.49Å
6V88.2Confident83.1Confident22 Ų2290.6 Ų90.613%0.13348%0.484CS..EExtended strand (participates in β ladder)trans-119.1126.2176.7-179.10000108V8 I21 V67 L79V6-V8 HydrophobicContact CG1-CG2 4.43Å; V6-I21 HydrophobicContact CB-CG1 4.18Å; V6-I21 PolarHBondContact N-O 3.26Å; V6-I21 WeakPolarHBondContact O-CG1 3.36Å; V6-I21 PolarHBondContact O-N 2.92Å; V6-V67 HydrophobicContact CG2-CG1 3.89Å; V6-L79 HydrophobicContact CG1-CD1 3.66Å; V6-L79 HydrophobicContact CG1-CG 4.01Å
7S90.9Very high83.8Confident61 Ų6187.5 Ų87.543%0.42747%0.467SS..EExtended strand (participates in β ladder)trans-80.8132.9174.7-55.80000110.2F19 P78 L79S7-F19 CarbonylContact C-O 3.53Å; S7-P78 CarbonylContact O-C 3.6Å; S7-P78 WeakPolarHBondContact O-CA 3.42Å; S7-L79 PolarHBondContact O-N 2.83Å
8V92.6Very high84.4Confident0 Ų089.8 Ų89.80%047%0.474CS..EExtended strand (participates in β ladder)trans-130.4127.4-175-177.90000108.8V6 V10 E18 F19 I21 L30 V66 L79 F81V6-V8 HydrophobicContact CG1-CG2 4.43Å; V8-V10 HydrophobicContact CG1-CG2 4.13Å; V8-E18 CarbonylContact O-C 3.6Å; V8-E18 WeakPolarHBondContact O-CA 3.42Å; V8-F19 HydrophobicContact CB-CB 4.48Å; V8-F19 PolarHBondContact N-O 3.46Å; V8-F19 PolarHBondContact O-N 2.72Å; V8-I21 HydrophobicContact CG2-CD1 3.61Å; V8-I21 HydrophobicContact CG2-CG1 3.71Å; V8-L30 HydrophobicContact CB-CD1 4.45Å; V8-L30 HydrophobicContact CG1-CD1 4.08Å; V8-L30 HydrophobicContact CG1-CD2 3.93Å; V8-V66 HydrophobicContact CG2-CG1 4.46Å; V8-L79 CarbonylContact C-O 3.58Å; V8-L79 HydrophobicContact CG1-CB 4.44Å; V8-L79 HydrophobicContact CG2-CB 4.28Å; V8-L79 HydrophobicContact CG2-CD1 4.21Å; V8-F81 HydrophobicContact CG1-CD2 3.32Å; V8-F81 HydrophobicContact CG1-CE2 3.52Å; V8-F81 HydrophobicContact CG1-CG 4.49Å
9R94.5Very high84.8Confident73 Ų7386.2 Ų86.228%0.27546%0.455SS..EExtended strand (participates in β ladder)trans-108124.3176.4-162.6171-156.3-134.5-2.2109.4E16 L17 E18 P78 L79 Q80 F81R9-E16 IonicContact CZ-OE1 3.15Å; R9-E16 IonicContact CZ-OE2 3.09Å; R9-E16 IonicContact NE-OE1 3.62Å; R9-E16 IonicContact NH1-OE1 2.75Å; R9-E16 PolarHBondContact NH1-OE1 2.75Å; R9-E16 IonicContact NH1-OE2 3.58Å; R9-E16 PolarHBondContact NH1-OE2 3.29Å; R9-E16 VanDerWaalsContact NH1-OE2 3.09Å; R9-E16 VanDerWaalsContact NH2-CD 3.27Å; R9-E16 IonicContact NH2-OE1 2.75Å; R9-E16 IonicContact NH2-OE2 3.1Å; R9-E16 PolarHBondContact NH2-OE2 3.4Å; R9-L17 CarbonylContact C-O 3.55Å; R9-L17 WeakPolarHBondContact CA-O 3.49Å; R9-E18 HydrophobicContact CB-CG 4.29Å; R9-E18 HydrophobicContact CG-CG 4.3Å; R9-E18 IonicContact NE-OE2 3.69Å; R9-P78 HydrophobicContact CB-CB 4.13Å; R9-P78 HydrophobicContact CB-CG 3.94Å; R9-L79 PolarHBondContact N-O 3.16Å; R9-L79 VanDerWaalsContact O-O 3.13Å; R9-Q80 CarbonylContact O-C 3.5Å; R9-Q80 WeakPolarHBondContact O-CA 3.4Å; R9-F81 PolarHBondContact O-N 3.45Å
10V95.1Very high85.2Confident0 Ų085.7 Ų85.70%046%0.463CS..EExtended strand (participates in β ladder)trans-115.6107.7-178.8-1760000108.7V8 L17 F19 V34 L48 F81 F83V8-V10 HydrophobicContact CG1-CG2 4.13Å; V10-L17 PolarHBondContact N-O 2.9Å; V10-L17 PolarHBondContact O-N 3.42Å; V10-F19 HydrophobicContact CB-CD2 4.39Å; V10-F19 HydrophobicContact CB-CE2 4.06Å; V10-F19 HydrophobicContact CG2-CD2 3.81Å; V10-F19 HydrophobicContact CG2-CE2 3.86Å; V10-V34 HydrophobicContact CB-CG2 4.27Å; V10-V34 HydrophobicContact CG1-CG1 3.99Å; V10-V34 HydrophobicContact CG1-CG2 4.1Å; V10-V34 HydrophobicContact CG2-CG2 3.78Å; V10-L48 HydrophobicContact CG1-CD2 3.65Å; V10-L48 HydrophobicContact CG2-CD2 4.42Å; V10-F81 CarbonylContact C-O 3.44Å; V10-F81 VanDerWaalsContact CA-O 3.32Å; V10-F81 WeakPolarHBondContact CA-O 3.42Å; V10-F81 HydrophobicContact CG2-CB 4.29Å; V10-F83 HydrophobicContact CG1-CB 3.9Å
11T94.9Very high85.5Confident42 Ų4281.9 Ų81.926%0.25844%0.442SS..EExtended strand (participates in β ladder)trans-84115.6174.3-49.80000109.2E16 F81 K82 F83T11-E16 HydrophobicContact CG2-CG 3.96Å; T11-E16 PolarHBondContact OG1-OE1 3.09Å; T11-F81 PolarHBondContact N-O 2.96Å; T11-K82 CarbonylContact O-C 3.54Å; T11-K82 WeakPolarHBondContact O-CA 3.24Å; T11-F83 PolarHBondContact O-N 3.21Å
12T90.8Very high87.8Confident24 Ų2475.1 Ų75.115%0.14741%0.408CS..  trans-92.5-176.117173.30000109.9D14 A15 L17 I38 F83T12-D14 VanDerWaalsContact C-N 3.29Å; T12-D14 PolarHBondContact O-N 3.49Å; T12-D14 PolarHBondContact OG1-N 2.84Å; T12-A15 WeakPolarHBondContact CA-O 3.29Å; T12-A15 WeakPolarHBondContact CB-O 3.38Å; T12-A15 PolarHBondContact N-O 2.79Å; T12-A15 PolarHBondContact OG1-N 3.43Å; T12-A15 PolarHBondContact OG1-O 3.47Å; T12-L17 HydrophobicContact CG2-CD1 3.99Å; T12-L17 HydrophobicContact CG2-CG 4.46Å; T12-I38 HydrophobicContact CG2-CD1 3.57Å; T12-I38 HydrophobicContact CG2-CG1 4.2Å; T12-F83 HydrophobicContact CG2-CB 4.07Å
13M84.9Confident89.4Confident191 Ų19171.3 Ų71.394%0.94138%0.384SS*.SBendtrans-67.1-30.3176.6-69.5-171.271.400113.3
14D86.2Confident90.5Very high166 Ų16668.6 Ų68.689%0.88838%0.378SS*.SBendtrans-113.9-26.5-171.3-156.3-102000112.8T12T12-D14 VanDerWaalsContact C-N 3.29Å; T12-D14 PolarHBondContact O-N 3.49Å; T12-D14 PolarHBondContact OG1-N 2.84Å
15A91.4Very high91.2Very high46 Ų4661.3 Ų61.338%0.3835%0.348SS..  trans-145.2157.7-173.400000113.9T12T12-A15 WeakPolarHBondContact CA-O 3.29Å; T12-A15 WeakPolarHBondContact CB-O 3.38Å; T12-A15 PolarHBondContact N-O 2.79Å; T12-A15 PolarHBondContact OG1-N 3.43Å; T12-A15 PolarHBondContact OG1-O 3.47Å
16E93.6Very high91.7Very high93 Ų9359.1 Ų59.144%0.43533%0.331SS..EExtended strand (participates in β ladder)trans-102.3125166.9-67.5-171.399.800110R9 T11R9-E16 IonicContact CZ-OE1 3.15Å; R9-E16 IonicContact CZ-OE2 3.09Å; R9-E16 IonicContact NE-OE1 3.62Å; R9-E16 IonicContact NH1-OE1 2.75Å; R9-E16 PolarHBondContact NH1-OE1 2.75Å; R9-E16 IonicContact NH1-OE2 3.58Å; R9-E16 PolarHBondContact NH1-OE2 3.29Å; R9-E16 VanDerWaalsContact NH1-OE2 3.09Å; R9-E16 VanDerWaalsContact NH2-CD 3.27Å; R9-E16 IonicContact NH2-OE1 2.75Å; R9-E16 IonicContact NH2-OE2 3.1Å; R9-E16 PolarHBondContact NH2-OE2 3.4Å; T11-E16 HydrophobicContact CG2-CG 3.96Å; T11-E16 PolarHBondContact OG1-OE1 3.09Å
17L94.4Very high91.9Very high39 Ų3958 Ų5820%0.20433%0.325CS..EExtended strand (participates in β ladder)trans-109.4141.3-179.6-61.3173.1000109.5R9 V10 T12 F19 T37 I38R9-L17 CarbonylContact C-O 3.55Å; R9-L17 WeakPolarHBondContact CA-O 3.49Å; V10-L17 PolarHBondContact N-O 2.9Å; V10-L17 PolarHBondContact O-N 3.42Å; T12-L17 HydrophobicContact CG2-CD1 3.99Å; T12-L17 HydrophobicContact CG2-CG 4.46Å; L17-F19 HydrophobicContact CB-CD2 4.34Å; L17-F19 HydrophobicContact CB-CE2 3.43Å; L17-F19 VanDerWaalsContact CB-CE2 3.43Å; L17-F19 HydrophobicContact CB-CZ 3.85Å; L17-F19 HydrophobicContact CD1-CE2 4.26Å; L17-F19 HydrophobicContact CD1-CZ 4.06Å; L17-F19 HydrophobicContact CG-CE2 4.49Å; L17-T37 HydrophobicContact CD1-CG2 4.03Å; L17-T37 HydrophobicContact CD2-CG2 4.07Å; L17-I38 HydrophobicContact CD1-CD1 4.22Å; L17-I38 HydrophobicContact CD1-CG1 3.71Å
18E94.1Very high92Very high128 Ų12860.7 Ų60.760%0.59833%0.329SS*.EExtended strand (participates in β ladder)trans-119.7131.4178.1-132.4172.6100.700110.5V8 R9V8-E18 CarbonylContact O-C 3.6Å; V8-E18 WeakPolarHBondContact O-CA 3.42Å; R9-E18 HydrophobicContact CB-CG 4.29Å; R9-E18 HydrophobicContact CG-CG 4.3Å; R9-E18 IonicContact NE-OE2 3.69Å
19F93.4Very high92.1Very high22 Ų2265.6 Ų65.610%0.09635%0.352CS..EExtended strand (participates in β ladder)trans-127.9140.1-175.2-60.7-87.3000109.8S7 V8 V10 L17 I21 L30 Q33 V34 T37S7-F19 CarbonylContact C-O 3.53Å; V8-F19 HydrophobicContact CB-CB 4.48Å; V8-F19 PolarHBondContact N-O 3.46Å; V8-F19 PolarHBondContact O-N 2.72Å; V10-F19 HydrophobicContact CB-CD2 4.39Å; V10-F19 HydrophobicContact CB-CE2 4.06Å; V10-F19 HydrophobicContact CG2-CD2 3.81Å; V10-F19 HydrophobicContact CG2-CE2 3.86Å; L17-F19 HydrophobicContact CB-CD2 4.34Å; L17-F19 HydrophobicContact CB-CE2 3.43Å; L17-F19 VanDerWaalsContact CB-CE2 3.43Å; L17-F19 HydrophobicContact CB-CZ 3.85Å; L17-F19 HydrophobicContact CD1-CE2 4.26Å; L17-F19 HydrophobicContact CD1-CZ 4.06Å; L17-F19 HydrophobicContact CG-CE2 4.49Å; F19-I21 HydrophobicContact CB-CG2 4.46Å; F19-L30 HydrophobicContact CB-CD1 4.33Å; F19-L30 HydrophobicContact CD2-CD1 4.48Å; F19-L30 HydrophobicContact CG-CD1 4.42Å; F19-Q33 HydrophobicContact CD1-CB 4.37Å; F19-Q33 HydrophobicContact CE1-CB 4.27Å; F19-V34 HydrophobicContact CD2-CG2 4.22Å; F19-V34 HydrophobicContact CE2-CG2 3.6Å; F19-V34 HydrophobicContact CZ-CB 4.38Å; F19-V34 HydrophobicContact CZ-CG2 3.82Å; F19-T37 WeakPolarHBondContact CE1-OG1 3.32Å; F19-T37 HydrophobicContact CZ-CG2 4.33Å
20A92.5Very high92.1Very high76 Ų7662.1 Ų62.163%0.62834%0.339SS*.EExtended strand (participates in β ladder)trans-102.7114.6167.500000108.6
21I91.8Very high92Very high5 Ų562.9 Ų62.93%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-112160179.166.4169.8000110.8S5 V6 V8 F19 T25 L30 V66S5-I21 CarbonylContact C-O 3.56Å; S5-I21 VanDerWaalsContact CA-O 3.26Å; S5-I21 WeakPolarHBondContact CA-O 3.49Å; V6-I21 HydrophobicContact CB-CG1 4.18Å; V6-I21 PolarHBondContact N-O 3.26Å; V6-I21 WeakPolarHBondContact O-CG1 3.36Å; V6-I21 PolarHBondContact O-N 2.92Å; V8-I21 HydrophobicContact CG2-CD1 3.61Å; V8-I21 HydrophobicContact CG2-CG1 3.71Å; F19-I21 HydrophobicContact CB-CG2 4.46Å; I21-T25 HydrophobicContact CB-CG2 3.86Å; I21-T25 HydrophobicContact CD1-CG2 4.24Å; I21-T25 HydrophobicContact CG2-CG2 4Å; I21-L30 HydrophobicContact CG2-CD1 3.96Å; I21-V66 HydrophobicContact CD1-CB 3.45Å; I21-V66 VanDerWaalsContact CD1-CB 3.45Å; I21-V66 HydrophobicContact CD1-CG1 3.58Å; I21-V66 HydrophobicContact CD1-CG2 3.76Å
22Q91.1Very high92Very high85 Ų8564.6 Ų64.640%0.39735%0.349SS..EExtended strand (participates in β ladder)trans-87.4162.2173.6-61.9-169.6-65.300110.7E3 S24 T25E3-Q22 PolarHBondContact OE1-NE2 3Å; Q22-S24 PolarHBondContact O-N 3.46Å; Q22-S24 VanDerWaalsContact O-N 3.14Å; Q22-T25 PolarHBondContact N-OG1 2.69Å; Q22-T25 WeakPolarHBondContact O-CB 3.47Å; Q22-T25 PolarHBondContact O-N 3.28Å; Q22-T25 PolarHBondContact O-OG1 2.74Å; Q22-T25 VanDerWaalsContact O-OG1 3.07Å
23S87.3Confident92.1Very high47 Ų4767.4 Ų67.433%0.32936%0.361SS..THydrogen-bonded Turntrans-63.8-17.6175.660.60000114.4K4 V67K4-S23 PolarHBondContact O-N 3.11Å; S23-V67 VanDerWaalsContact O-CG2 3.27Å; S23-V67 WeakPolarHBondContact O-CG2 2.94Å
24S89.5Confident92.5Very high61 Ų6158.3 Ų58.343%0.42732%0.316SS..THydrogen-bonded Turntrans-81.2-15.3172.459.80000113.4Q22 T26Q22-S24 PolarHBondContact O-N 3.46Å; Q22-S24 VanDerWaalsContact O-N 3.14Å; S24-T26 PolarHBondContact O-N 2.8Å
25T93.1Very high92.8Very high18 Ų1851 Ų5111%0.1128%0.278CS..  trans-66.6125.3-173.1-55.80000111.2I21 Q22 Q29 V66I21-T25 HydrophobicContact CB-CG2 3.86Å; I21-T25 HydrophobicContact CD1-CG2 4.24Å; I21-T25 HydrophobicContact CG2-CG2 4Å; Q22-T25 PolarHBondContact N-OG1 2.69Å; Q22-T25 WeakPolarHBondContact O-CB 3.47Å; Q22-T25 PolarHBondContact O-N 3.28Å; Q22-T25 PolarHBondContact O-OG1 2.74Å; Q22-T25 VanDerWaalsContact O-OG1 3.07Å; T25-Q29 HydrophobicContact CG2-CB 3.6Å; T25-V66 PolarHBondContact O-N 2.99Å; T25-V66 VanDerWaalsContact O-N 3.09Å
26T94.6Very high92.8Very high42 Ų4257 Ų5726%0.25830%0.295SS..BIsolated β-bridgetrans-83.6160.2175.4600000111.5S24 K28 Q29 L30 K64S24-T26 PolarHBondContact O-N 2.8Å; T26-K28 PolarHBondContact O-N 2.76Å; T26-Q29 WeakPolarHBondContact O-CB 3.33Å; T26-Q29 PolarHBondContact O-N 2.78Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.32Å; T26-Q29 PolarHBondContact OG1-N 2.93Å; T26-L30 PolarHBondContact O-N 3.28Å; T26-K64 CarbonylContact C-O 3.58Å; T26-K64 WeakPolarHBondContact CA-O 3.26Å
27G93Very high92.7Very high0 Ų056.3 Ų56.30%030%0.297CS..Hα-helixtrans-56.9-34.1174.300000111.9L30 F31 K64G27-L30 PolarHBondContact O-N 2.73Å; G27-F31 WeakPolarHBondContact O-CB 3.37Å; G27-F31 PolarHBondContact O-N 2.75Å; G27-K64 PolarHBondContact N-O 2.73Å
28K93.5Very high92.5Very high117 Ų11757.5 Ų57.551%0.50930%0.303SS..Hα-helixtrans-60.2-46.1172.6-170.8176.2-177-65.40112.4T26 F31 D32 L62T26-K28 PolarHBondContact O-N 2.76Å; K28-F31 PolarHBondContact O-N 3.41Å; K28-D32 WeakPolarHBondContact O-CB 3.45Å; K28-D32 PolarHBondContact O-N 3.12Å; K28-L62 HydrophobicContact CB-CB 4.03Å; K28-L62 WeakPolarHBondContact CB-O 3.29Å; K28-L62 PolarHBondContact N-O 2.68Å
29Q94.7Very high92.3Very high103 Ų10354.4 Ų54.448%0.48131%0.305SS..Hα-helixtrans-65.8-43.8-179.9-69.5-74103.900111.5T25 T26 D32 Q33T25-Q29 HydrophobicContact CG2-CB 3.6Å; T26-Q29 WeakPolarHBondContact O-CB 3.33Å; T26-Q29 PolarHBondContact O-N 2.78Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.32Å; T26-Q29 PolarHBondContact OG1-N 2.93Å; Q29-D32 PolarHBondContact O-N 3.17Å; Q29-Q33 WeakPolarHBondContact O-CG 3.26Å; Q29-Q33 PolarHBondContact O-N 3.24Å; Q29-Q33 VanDerWaalsContact O-N 3.11Å
30L94.5Very high91.8Very high0 Ų056.2 Ų56.20%032%0.316CS..Hα-helixtrans-61.1-46.1174.5174.665.3000110.9V8 F19 I21 T26 G27 D32 Q33 V34 L48 L60 V66 F81V8-L30 HydrophobicContact CB-CD1 4.45Å; V8-L30 HydrophobicContact CG1-CD1 4.08Å; V8-L30 HydrophobicContact CG1-CD2 3.93Å; F19-L30 HydrophobicContact CB-CD1 4.33Å; F19-L30 HydrophobicContact CD2-CD1 4.48Å; F19-L30 HydrophobicContact CG-CD1 4.42Å; I21-L30 HydrophobicContact CG2-CD1 3.96Å; T26-L30 PolarHBondContact O-N 3.28Å; G27-L30 PolarHBondContact O-N 2.73Å; L30-D32 PolarHBondContact O-N 3.39Å; L30-Q33 PolarHBondContact O-N 3.02Å; L30-V34 HydrophobicContact CD1-CG2 4.32Å; L30-V34 VanDerWaalsContact O-CG2 3.26Å; L30-V34 WeakPolarHBondContact O-CG2 3.35Å; L30-V34 PolarHBondContact O-N 3.43Å; L30-L48 HydrophobicContact CD2-CD1 3.91Å; L30-L48 HydrophobicContact CG-CD1 3.94Å; L30-L60 HydrophobicContact CD2-CD2 4.06Å; L30-V66 HydrophobicContact CB-CG2 4.02Å; L30-V66 HydrophobicContact CD2-CG1 4.08Å; L30-V66 HydrophobicContact CD2-CG2 3.87Å; L30-F81 HydrophobicContact CD2-CD2 4.39Å; L30-F81 HydrophobicContact CD2-CE2 4.27Å
31F93.8Very high91.4Very high15 Ų1563.3 Ų63.37%0.06633%0.326CS..Hα-helixtrans-59.7-44.6178.3-177.7-99.6000112.4G27 K28 Q33 V34 V35 I43 F46 L48 L62 F83G27-F31 WeakPolarHBondContact O-CB 3.37Å; G27-F31 PolarHBondContact O-N 2.75Å; K28-F31 PolarHBondContact O-N 3.41Å; F31-Q33 PolarHBondContact O-N 3.46Å; F31-V34 PolarHBondContact O-N 2.91Å; F31-V35 HydrophobicContact CD1-CG2 4.07Å; F31-V35 HydrophobicContact CE1-CG2 3.69Å; F31-V35 HydrophobicContact CE2-CG2 4.23Å; F31-V35 HydrophobicContact CZ-CG2 3.77Å; F31-V35 WeakPolarHBondContact O-CB 3.34Å; F31-V35 WeakPolarHBondContact O-CG2 3.19Å; F31-V35 PolarHBondContact O-N 2.88Å; F31-I43 HydrophobicContact CE1-CB 4.09Å; F31-I43 HydrophobicContact CE1-CD1 4.22Å; F31-I43 HydrophobicContact CE1-CG1 4.46Å; F31-I43 HydrophobicContact CZ-CB 4.22Å; F31-I43 WeakPolarHBondContact CZ-O 3.2Å; F31-F46 HydrophobicContact CE2-CB 4.22Å; F31-F46 HydrophobicContact CZ-CB 4.23Å; F31-L48 HydrophobicContact CB-CD1 4.17Å; F31-L48 HydrophobicContact CD2-CD1 4.27Å; F31-L48 HydrophobicContact CD2-CG 4.16Å; F31-L62 HydrophobicContact CB-CD2 3.73Å; F31-L62 HydrophobicContact CD2-CD2 4.42Å; F31-L62 HydrophobicContact CG-CD2 4Å; F31-F83 HydrophobicContact CD2-CE2 4.24Å; F31-F83 HydrophobicContact CE2-CD2 4.4Å; F31-F83 AromaticContact CE2-CE2 3.65Å; F31-F83 HydrophobicContact CE2-CE2 3.65Å; F31-F83 HydrophobicContact CE2-CZ 4.49Å; F31-F83 HydrophobicContact CZ-CE2 4.35Å
32D93.3Very high91Very high78 Ų7869.1 Ų69.142%0.41735%0.354SS..Hα-helixtrans-59.5-43.7176.7-168.6-95.8000111.9K28 Q29 L30 V35 K36K28-D32 WeakPolarHBondContact O-CB 3.45Å; K28-D32 PolarHBondContact O-N 3.12Å; Q29-D32 PolarHBondContact O-N 3.17Å; L30-D32 PolarHBondContact O-N 3.39Å; D32-V35 PolarHBondContact O-N 3.38Å; D32-K36 VanDerWaalsContact O-CB 3.24Å; D32-K36 WeakPolarHBondContact O-CB 3.39Å; D32-K36 PolarHBondContact O-N 3.04Å
33Q93.3Very high90.7Very high84 Ų8467.1 Ų67.139%0.39335%0.345SS..Hα-helixtrans-63.6-42.8175.6-72.1-162.79.600112.8F19 Q29 L30 F31 K36 T37F19-Q33 HydrophobicContact CD1-CB 4.37Å; F19-Q33 HydrophobicContact CE1-CB 4.27Å; Q29-Q33 WeakPolarHBondContact O-CG 3.26Å; Q29-Q33 PolarHBondContact O-N 3.24Å; Q29-Q33 VanDerWaalsContact O-N 3.11Å; L30-Q33 PolarHBondContact O-N 3.02Å; F31-Q33 PolarHBondContact O-N 3.46Å; Q33-K36 PolarHBondContact O-N 3.43Å; Q33-T37 WeakPolarHBondContact O-CB 3.48Å; Q33-T37 PolarHBondContact O-N 2.97Å; Q33-T37 PolarHBondContact O-OG1 3.07Å
34V93.4Very high90.5Very high0 Ų075.4 Ų75.40%037%0.369CS..Hα-helixtrans-61.2-51.1177.41720000110.2V10 F19 L30 F31 K36 T37 I38 F83V10-V34 HydrophobicContact CB-CG2 4.27Å; V10-V34 HydrophobicContact CG1-CG1 3.99Å; V10-V34 HydrophobicContact CG1-CG2 4.1Å; V10-V34 HydrophobicContact CG2-CG2 3.78Å; F19-V34 HydrophobicContact CD2-CG2 4.22Å; F19-V34 HydrophobicContact CE2-CG2 3.6Å; F19-V34 HydrophobicContact CZ-CB 4.38Å; F19-V34 HydrophobicContact CZ-CG2 3.82Å; L30-V34 HydrophobicContact CD1-CG2 4.32Å; L30-V34 VanDerWaalsContact O-CG2 3.26Å; L30-V34 WeakPolarHBondContact O-CG2 3.35Å; L30-V34 PolarHBondContact O-N 3.43Å; F31-V34 PolarHBondContact O-N 2.91Å; V34-K36 VanDerWaalsContact C-N 3.33Å; V34-K36 PolarHBondContact O-N 3.45Å; V34-T37 PolarHBondContact O-N 2.85Å; V34-T37 VanDerWaalsContact O-N 3.16Å; V34-I38 HydrophobicContact CG1-CD1 3.58Å; V34-I38 HydrophobicContact CG1-CG1 4.46Å; V34-I38 VanDerWaalsContact O-CG1 3.29Å; V34-I38 WeakPolarHBondContact O-CG1 3.2Å; V34-I38 PolarHBondContact O-N 3.01Å; V34-F83 HydrophobicContact CG1-CD2 3.59Å; V34-F83 HydrophobicContact CG1-CE2 3.96Å; V34-F83 HydrophobicContact CG1-CG 4.19Å
35V92Very high90.3Very high13 Ų1378 Ų788%0.07937%0.37CS..Hα-helixtrans-55.7-47.4177.3156.30000111.7F31 D32 T37 I38 G39 L40 I43 F83F31-V35 HydrophobicContact CD1-CG2 4.07Å; F31-V35 HydrophobicContact CE1-CG2 3.69Å; F31-V35 HydrophobicContact CE2-CG2 4.23Å; F31-V35 HydrophobicContact CZ-CG2 3.77Å; F31-V35 WeakPolarHBondContact O-CB 3.34Å; F31-V35 WeakPolarHBondContact O-CG2 3.19Å; F31-V35 PolarHBondContact O-N 2.88Å; D32-V35 PolarHBondContact O-N 3.38Å; V35-T37 VanDerWaalsContact C-N 3.29Å; V35-T37 PolarHBondContact O-N 3.06Å; V35-I38 PolarHBondContact O-N 2.83Å; V35-G39 PolarHBondContact O-N 2.76Å; V35-L40 PolarHBondContact O-N 2.77Å; V35-I43 HydrophobicContact CB-CG2 4.02Å; V35-I43 HydrophobicContact CG1-CB 4.26Å; V35-I43 HydrophobicContact CG1-CG2 3.2Å; V35-I43 HydrophobicContact CG2-CB 3.93Å; V35-I43 HydrophobicContact CG2-CG2 3.59Å; V35-F83 HydrophobicContact CG2-CE2 4.26Å; V35-F83 HydrophobicContact CG2-CZ 4.43Å
36K91.9Very high90.1Very high170 Ų17080 Ų8074%0.73938%0.378SS*.Hα-helixtrans-64.3-35.4-180-174.7178.2-178.3179.30112.1D32 Q33 V34D32-K36 VanDerWaalsContact O-CB 3.24Å; D32-K36 WeakPolarHBondContact O-CB 3.39Å; D32-K36 PolarHBondContact O-N 3.04Å; Q33-K36 PolarHBondContact O-N 3.43Å; V34-K36 VanDerWaalsContact C-N 3.33Å; V34-K36 PolarHBondContact O-N 3.45Å
37T91.8Very high90Very high80 Ų8078 Ų7849%0.49137%0.366SS..Hα-helixtrans-71.6-41.4178.9-58.10000111.7L17 F19 Q33 V34 V35 G39L17-T37 HydrophobicContact CD1-CG2 4.03Å; L17-T37 HydrophobicContact CD2-CG2 4.07Å; F19-T37 WeakPolarHBondContact CE1-OG1 3.32Å; F19-T37 HydrophobicContact CZ-CG2 4.33Å; Q33-T37 WeakPolarHBondContact O-CB 3.48Å; Q33-T37 PolarHBondContact O-N 2.97Å; Q33-T37 PolarHBondContact O-OG1 3.07Å; V34-T37 PolarHBondContact O-N 2.85Å; V34-T37 VanDerWaalsContact O-N 3.16Å; V35-T37 VanDerWaalsContact C-N 3.29Å; V35-T37 PolarHBondContact O-N 3.06Å; T37-G39 VanDerWaalsContact C-N 3.33Å
38I90.4Very high90Very high64 Ų6478.1 Ų78.133%0.32837%0.367SS..Hα-helixtrans-76.8-24.7177.9-54.4162.5000110.9T12 L17 V34 V35 L40 F83T12-I38 HydrophobicContact CG2-CD1 3.57Å; T12-I38 HydrophobicContact CG2-CG1 4.2Å; L17-I38 HydrophobicContact CD1-CD1 4.22Å; L17-I38 HydrophobicContact CD1-CG1 3.71Å; V34-I38 HydrophobicContact CG1-CD1 3.58Å; V34-I38 HydrophobicContact CG1-CG1 4.46Å; V34-I38 VanDerWaalsContact O-CG1 3.29Å; V34-I38 WeakPolarHBondContact O-CG1 3.2Å; V34-I38 PolarHBondContact O-N 3.01Å; V35-I38 PolarHBondContact O-N 2.83Å; I38-L40 HydrophobicContact CB-CD1 4.35Å; I38-L40 HydrophobicContact CB-CG 4.13Å; I38-L40 HydrophobicContact CD1-CD1 4.4Å; I38-L40 HydrophobicContact CG2-CD1 3.93Å; I38-L40 HydrophobicContact CG2-CD2 4.21Å; I38-L40 HydrophobicContact CG2-CG 3.67Å; I38-F83 HydrophobicContact CD1-CD1 4.06Å; I38-F83 HydrophobicContact CD1-CE1 4.13Å; I38-F83 HydrophobicContact CD1-CG 4.26Å; I38-F83 HydrophobicContact CD1-CZ 4.38Å
39G88.7Confident89.9Confident62 Ų6273.5 Ų73.564%0.63935%0.347SS*.THydrogen-bonded Turntrans78.127.5-178.100000113.7V35 T37V35-G39 PolarHBondContact O-N 2.76Å; T37-G39 VanDerWaalsContact C-N 3.33Å
40L84.5Confident89.8Confident61 Ų6169.9 Ų69.932%0.31933%0.329SS..  trans-78.3138.4-179.7-67.9174.5000112.2V35 I38 I43 F46 F83V35-L40 PolarHBondContact O-N 2.77Å; I38-L40 HydrophobicContact CB-CD1 4.35Å; I38-L40 HydrophobicContact CB-CG 4.13Å; I38-L40 HydrophobicContact CD1-CD1 4.4Å; I38-L40 HydrophobicContact CG2-CD1 3.93Å; I38-L40 HydrophobicContact CG2-CD2 4.21Å; I38-L40 HydrophobicContact CG2-CG 3.67Å; L40-I43 HydrophobicContact CB-CG2 4.34Å; L40-I43 WeakPolarHBondContact O-CG2 3.39Å; L40-F46 HydrophobicContact CD1-CD2 4.46Å; L40-F46 HydrophobicContact CD1-CE2 4.29Å; L40-F46 HydrophobicContact CD1-CZ 4.38Å; L40-F83 HydrophobicContact CD1-CD1 4.5Å; L40-F83 HydrophobicContact CD1-CE1 3.35Å; L40-F83 HydrophobicContact CD1-CZ 3.55Å
41R83.6Confident89.5Confident225 Ų22573 Ų7385%0.84935%0.348SS*.SBendtrans-95.7-42.3177.3-167.3176.7-75.4176.5-2.2112.3I43R41-I43 PolarHBondContact O-N 2.77Å; R41-I43 VanDerWaalsContact O-N 3.12Å
42E82.7Confident89.1Confident127 Ų12773.7 Ų73.759%0.59335%0.353SS*.  trans-85.966.8178.3-66.1106.482.800114.2W44 Y45 F46E42-W44 VanDerWaalsContact C-N 3.33Å; E42-W44 PolarHBondContact O-N 3.33Å; E42-Y45 HydrophobicContact CB-CD2 4.07Å; E42-Y45 HydrophobicContact CB-CE2 4.36Å; E42-F46 WeakPolarHBondContact O-CD2 3.48Å; E42-F46 WeakPolarHBondContact O-CE2 3.35Å
43I84.6Confident88.6Confident43 Ų4373.9 Ų73.922%0.22136%0.356CS..G310 helixtrans-77.3-20.3-17066.4169.4000113.6F31 V35 L40 R41 Y45 F46F31-I43 HydrophobicContact CE1-CB 4.09Å; F31-I43 HydrophobicContact CE1-CD1 4.22Å; F31-I43 HydrophobicContact CE1-CG1 4.46Å; F31-I43 HydrophobicContact CZ-CB 4.22Å; F31-I43 WeakPolarHBondContact CZ-O 3.2Å; V35-I43 HydrophobicContact CB-CG2 4.02Å; V35-I43 HydrophobicContact CG1-CB 4.26Å; V35-I43 HydrophobicContact CG1-CG2 3.2Å; V35-I43 HydrophobicContact CG2-CB 3.93Å; V35-I43 HydrophobicContact CG2-CG2 3.59Å; L40-I43 HydrophobicContact CB-CG2 4.34Å; L40-I43 WeakPolarHBondContact O-CG2 3.39Å; R41-I43 PolarHBondContact O-N 2.77Å; R41-I43 VanDerWaalsContact O-N 3.12Å; I43-Y45 PolarHBondContact O-N 3.07Å; I43-F46 PolarHBondContact O-N 3.13Å
44W83Confident88.2Confident220 Ų22077.6 Ų77.683%0.83337%0.371SS*.G310 helixtrans-63.9-27.3-174-61.398.1000113.4E42 F46E42-W44 VanDerWaalsContact C-N 3.33Å; E42-W44 PolarHBondContact O-N 3.33Å; W44-F46 VanDerWaalsContact C-N 3.32Å
45Y85.4Confident87.8Confident115 Ų11580 Ų8045%0.45140%0.396SS..G310 helixtrans-81.2-13.2177.8-58.2-85.2000112.4E42 I43 A85 K86 F87E42-Y45 HydrophobicContact CB-CD2 4.07Å; E42-Y45 HydrophobicContact CB-CE2 4.36Å; I43-Y45 PolarHBondContact O-N 3.07Å; Y45-A85 CarbonylContact O-C 3.38Å; Y45-A85 VanDerWaalsContact O-CA 3.23Å; Y45-A85 WeakPolarHBondContact O-CA 2.89Å; Y45-K86 PolarHBondContact O-N 3.11Å; Y45-F87 HydrophobicContact CD1-CB 3.72Å; Y45-F87 HydrophobicContact CE1-CB 4.5Å; Y45-F87 PolarHBondContact O-N 2.76Å
46F89.3Confident87.6Confident60 Ų6087.1 Ų87.126%0.26342%0.423SS..EExtended strand (participates in β ladder)trans-101.8160.5-174.3-64.5-88.9000113.4F31 L40 E42 I43 W44 F83 R84 A85F31-F46 HydrophobicContact CE2-CB 4.22Å; F31-F46 HydrophobicContact CZ-CB 4.23Å; L40-F46 HydrophobicContact CD1-CD2 4.46Å; L40-F46 HydrophobicContact CD1-CE2 4.29Å; L40-F46 HydrophobicContact CD1-CZ 4.38Å; E42-F46 WeakPolarHBondContact O-CD2 3.48Å; E42-F46 WeakPolarHBondContact O-CE2 3.35Å; I43-F46 PolarHBondContact O-N 3.13Å; W44-F46 VanDerWaalsContact C-N 3.32Å; F46-F83 HydrophobicContact CB-CE1 3.83Å; F46-F83 HydrophobicContact CB-CE2 3.8Å; F46-F83 HydrophobicContact CB-CZ 3.31Å; F46-F83 AromaticContact CD1-CD1 3.9Å; F46-F83 HydrophobicContact CD1-CD1 3.9Å; F46-F83 AromaticContact CD1-CE1 3.19Å; F46-F83 HydrophobicContact CD1-CE1 3.19Å; F46-F83 AromaticContact CD1-CZ 3.66Å; F46-F83 HydrophobicContact CD1-CZ 3.66Å; F46-F83 HydrophobicContact CD2-CE1 4.33Å; F46-F83 HydrophobicContact CD2-CZ 4.18Å; F46-F83 HydrophobicContact CE1-CD1 4.47Å; F46-F83 AromaticContact CE1-CE1 3.77Å; F46-F83 HydrophobicContact CE1-CE1 3.77Å; F46-F83 AromaticContact CG-CE1 3.52Å; F46-F83 HydrophobicContact CG-CE1 3.52Å; F46-F83 HydrophobicContact CG-CE2 4.4Å; F46-F83 AromaticContact CG-CZ 3.45Å; F46-F83 HydrophobicContact CG-CZ 3.45Å; F46-F83 VanDerWaalsContact CG-CZ 3.45Å; F46-R84 CarbonylContact C-O 3.58Å; F46-R84 WeakPolarHBondContact CA-O 3.21Å; F46-A85 HydrophobicContact CD1-CB 4.24Å; F46-A85 HydrophobicContact CE1-CB 4.23Å
47G91.9Very high87.4Confident2 Ų283 Ų832%0.02141%0.411CS..EExtended strand (participates in β ladder)trans-157173.4172.200000111.7R84G47-R84 PolarHBondContact N-O 3.19Å; G47-R84 PolarHBondContact O-N 3.05Å; G47-R84 VanDerWaalsContact O-O 3.09Å
48L93.5Very high87.3Confident1 Ų181.6 Ų81.61%0.00540%0.403CS..EExtended strand (participates in β ladder)trans-102.4125.5174.3-67.9165.9000109V10 L30 F31 L60 F81 K82 F83V10-L48 HydrophobicContact CG1-CD2 3.65Å; V10-L48 HydrophobicContact CG2-CD2 4.42Å; L30-L48 HydrophobicContact CD2-CD1 3.91Å; L30-L48 HydrophobicContact CG-CD1 3.94Å; F31-L48 HydrophobicContact CB-CD1 4.17Å; F31-L48 HydrophobicContact CD2-CD1 4.27Å; F31-L48 HydrophobicContact CD2-CG 4.16Å; L48-L60 HydrophobicContact CB-CB 3.96Å; L48-L60 HydrophobicContact CB-CD2 4.09Å; L48-L60 HydrophobicContact CD1-CD2 3.82Å; L48-L60 WeakPolarHBondContact O-CB 3.4Å; L48-L60 PolarHBondContact O-N 3.37Å; L48-F81 HydrophobicContact CB-CD1 4.22Å; L48-F81 HydrophobicContact CD2-CB 4.18Å; L48-K82 WeakPolarHBondContact CA-O 3.49Å; L48-F83 HydrophobicContact CD2-CB 4.26Å; L48-F83 HydrophobicContact CD2-CD2 4.01Å
49Q92.6Very high87.4Confident20 Ų2082.6 Ų82.69%0.09340%0.403CS..EExtended strand (participates in β ladder)trans-102.4146.4172.1-67.9178.542.800109.8V57 T58 W59 F81 K82Q49-V57 HydrophobicContact CB-CG1 3.93Å; Q49-V57 HydrophobicContact CG-CG1 4.26Å; Q49-T58 CarbonylContact C-O 3.54Å; Q49-T58 VanDerWaalsContact CA-O 3.29Å; Q49-T58 WeakPolarHBondContact CA-O 3.45Å; Q49-W59 HydrophobicContact CG-CD2 3.63Å; Q49-W59 HydrophobicContact CG-CE3 3.4Å; Q49-W59 HydrophobicContact CG-CG 4.45Å; Q49-W59 HydrophobicContact CG-CH2 3.73Å; Q49-W59 HydrophobicContact CG-CZ2 3.9Å; Q49-W59 HydrophobicContact CG-CZ3 3.44Å; Q49-W59 VanDerWaalsContact CG-CZ3 3.44Å; Q49-F81 CarbonylContact O-C 3.48Å; Q49-F81 WeakPolarHBondContact O-CA 3.39Å; Q49-K82 HydrophobicContact CB-CB 4.38Å; Q49-K82 PolarHBondContact N-O 3.4Å; Q49-K82 PolarHBondContact O-N 3.22Å
50Y91.1Very high87.5Confident27 Ų2779.7 Ų79.711%0.10637%0.373CS..EExtended strand (participates in β ladder)trans-136.3158.7169.667.5-85.1000110V57 T58 L60 V69 L73 F81Y50-V57 WeakPolarHBondContact O-CA 3.23Å; Y50-T58 HydrophobicContact CD1-CG2 3.99Å; Y50-T58 HydrophobicContact CD2-CG2 3.92Å; Y50-T58 HydrophobicContact CE1-CG2 3.47Å; Y50-T58 VanDerWaalsContact CE1-CG2 3.47Å; Y50-T58 HydrophobicContact CE2-CG2 3.41Å; Y50-T58 VanDerWaalsContact CE2-CG2 3.41Å; Y50-T58 HydrophobicContact CG-CG2 4.2Å; Y50-T58 PolarHBondContact N-O 2.89Å; Y50-T58 PolarHBondContact O-N 3.35Å; Y50-T58 WeakPolarHBondContact OH-CG2 3.49Å; Y50-L60 HydrophobicContact CD1-CB 4.28Å; Y50-L60 HydrophobicContact CE1-CB 4.47Å; Y50-V69 HydrophobicContact CD1-CG1 4.49Å; Y50-V69 HydrophobicContact CE1-CB 4.28Å; Y50-V69 HydrophobicContact CE1-CG1 3.68Å; Y50-V69 HydrophobicContact CE2-CB 4.08Å; Y50-V69 HydrophobicContact CE2-CG1 4.12Å; Y50-V69 VanDerWaalsContact CZ-CG1 3.45Å; Y50-V69 WeakPolarHBondContact OH-CG1 3.49Å; Y50-L73 HydrophobicContact CD2-CD1 4.46Å; Y50-L73 HydrophobicContact CD2-CD2 3.81Å; Y50-L73 HydrophobicContact CD2-CG 4.17Å; Y50-F81 HydrophobicContact CD1-CD1 4.38Å; Y50-F81 AromaticContact CD1-CE1 3.94Å; Y50-F81 HydrophobicContact CD1-CE1 3.94Å; Y50-F81 HydrophobicContact CG-CD1 4.47Å; Y50-F81 HydrophobicContact CG-CE1 4.09Å
51T88.9Confident87.8Confident66 Ų6683.7 Ų83.741%0.40539%0.387SS..EExtended strand (participates in β ladder)trans-98.4112.3176.9-54.20000108.7Y56 L73T51-Y56 WeakPolarHBondContact CA-O 3.43Å; T51-L73 WeakPolarHBondContact O-CD2 3.47Å
52D85.4Confident88.2Confident30 Ų3076 Ų7616%0.1636%0.363CS..  trans-61.2163.9177.1-175-108.8000112.6K54 G55 Y56D52-K54 PolarHBondContact O-N 3.41Å; D52-K54 WeakPolarHBondContact OD1-CB 3.46Å; D52-K54 WeakPolarHBondContact OD1-CG 3.49Å; D52-K54 PolarHBondContact OD1-N 3.44Å; D52-K54 VanDerWaalsContact OD1-N 3.07Å; D52-G55 PolarHBondContact O-N 3.49Å; D52-Y56 PolarHBondContact N-O 3.03Å
53T82.4Confident88.5Confident81 Ų8176.7 Ų76.750%0.49737%0.37SS..THydrogen-bonded Turntrans-53.6-24.6172.739.40000114.3G55 D72 K74T53-G55 VanDerWaalsContact C-N 3.29Å; T53-D72 VanDerWaalsContact CB-O 3.26Å; T53-D72 WeakPolarHBondContact CB-O 3.27Å; T53-D72 WeakPolarHBondContact CG2-O 3.08Å; T53-D72 PolarHBondContact N-O 3.25Å; T53-D72 VanDerWaalsContact N-O 3.13Å; T53-D72 PolarHBondContact OG1-O 3.28Å; T53-K74 HydrophobicContact CG2-CB 3.9Å
54K85.1Confident88.8Confident162 Ų16279.5 Ų79.570%0.70438%0.381SS*.THydrogen-bonded Turntrans-81-2.4174.6-64.5178.7-177.5177.90114.5D52 Y56D52-K54 PolarHBondContact O-N 3.41Å; D52-K54 WeakPolarHBondContact OD1-CB 3.46Å; D52-K54 WeakPolarHBondContact OD1-CG 3.49Å; D52-K54 PolarHBondContact OD1-N 3.44Å; D52-K54 VanDerWaalsContact OD1-N 3.07Å; K54-Y56 VanDerWaalsContact C-N 3.31Å; K54-Y56 HydrophobicContact CB-CD2 3.44Å; K54-Y56 VanDerWaalsContact CB-CD2 3.44Å; K54-Y56 HydrophobicContact CB-CE2 3.64Å; K54-Y56 HydrophobicContact CD-CD2 4.21Å; K54-Y56 HydrophobicContact CD-CE2 4.13Å; K54-Y56 HydrophobicContact CG-CD2 4.48Å
55G84.5Confident89.2Confident50 Ų5074 Ų7452%0.51536%0.363SS..SBendtrans82.43.9-176.200000114.4D52 T53D52-G55 PolarHBondContact O-N 3.49Å; T53-G55 VanDerWaalsContact C-N 3.29Å
56Y87.6Confident89.5Confident163 Ų16368.5 Ų68.564%0.63934%0.342SS*.  trans-81.3132177-63.1-67.5000111.1T51 D52 K54T51-Y56 WeakPolarHBondContact CA-O 3.43Å; D52-Y56 PolarHBondContact N-O 3.03Å; K54-Y56 VanDerWaalsContact C-N 3.31Å; K54-Y56 HydrophobicContact CB-CD2 3.44Å; K54-Y56 VanDerWaalsContact CB-CD2 3.44Å; K54-Y56 HydrophobicContact CB-CE2 3.64Å; K54-Y56 HydrophobicContact CD-CD2 4.21Å; K54-Y56 HydrophobicContact CD-CE2 4.13Å; K54-Y56 HydrophobicContact CG-CD2 4.48Å
57V88Confident89.2Confident83 Ų8367.2 Ų67.250%0.50334%0.339SS..EExtended strand (participates in β ladder)trans-79.2122.9171.6-177.20000108.8Q49 Y50Q49-V57 HydrophobicContact CB-CG1 3.93Å; Q49-V57 HydrophobicContact CG-CG1 4.26Å; Y50-V57 WeakPolarHBondContact O-CA 3.23Å
58T90.2Very high88.8Confident52 Ų5270.5 Ų70.532%0.31936%0.355SS..EExtended strand (participates in β ladder)trans-135.3159.8-178.8-175.10000111.1Q49 Y50Q49-T58 CarbonylContact C-O 3.54Å; Q49-T58 VanDerWaalsContact CA-O 3.29Å; Q49-T58 WeakPolarHBondContact CA-O 3.45Å; Y50-T58 HydrophobicContact CD1-CG2 3.99Å; Y50-T58 HydrophobicContact CD2-CG2 3.92Å; Y50-T58 HydrophobicContact CE1-CG2 3.47Å; Y50-T58 VanDerWaalsContact CE1-CG2 3.47Å; Y50-T58 HydrophobicContact CE2-CG2 3.41Å; Y50-T58 VanDerWaalsContact CE2-CG2 3.41Å; Y50-T58 HydrophobicContact CG-CG2 4.2Å; Y50-T58 PolarHBondContact N-O 2.89Å; Y50-T58 PolarHBondContact O-N 3.35Å; Y50-T58 WeakPolarHBondContact OH-CG2 3.49Å
59W91.4Very high88Confident85 Ų8570.8 Ų70.832%0.32236%0.357SS..EExtended strand (participates in β ladder)trans-90.8130.5-176.9-66.495.4000111.3Q49 K61 R84 A85 K86Q49-W59 HydrophobicContact CG-CD2 3.63Å; Q49-W59 HydrophobicContact CG-CE3 3.4Å; Q49-W59 HydrophobicContact CG-CG 4.45Å; Q49-W59 HydrophobicContact CG-CH2 3.73Å; Q49-W59 HydrophobicContact CG-CZ2 3.9Å; Q49-W59 HydrophobicContact CG-CZ3 3.44Å; Q49-W59 VanDerWaalsContact CG-CZ3 3.44Å; W59-K61 PolarHBondContact O-N 3.14Å; W59-R84 HydrophobicContact CH2-CB 4.19Å; W59-R84 HydrophobicContact CZ3-CB 4.48Å; W59-A85 WeakPolarHBondContact CH2-O 3.26Å; W59-K86 HydrophobicContact CD2-CD 4.35Å; W59-K86 HydrophobicContact CD2-CG 3.87Å; W59-K86 HydrophobicContact CE3-CD 4.1Å; W59-K86 HydrophobicContact CE3-CG 3.57Å; W59-K86 HydrophobicContact CH2-CB 3.97Å; W59-K86 HydrophobicContact CH2-CG 3.25Å; W59-K86 HydrophobicContact CZ2-CB 4.21Å; W59-K86 HydrophobicContact CZ2-CG 3.61Å; W59-K86 HydrophobicContact CZ3-CB 4.39Å; W59-K86 HydrophobicContact CZ3-CD 4.21Å; W59-K86 HydrophobicContact CZ3-CG 3.25Å
60L91.7Very high87.1Confident1 Ų172.2 Ų72.21%0.00537%0.365CS..PPolyproline II helixtrans-62120.8170.2-177.366.3000109.4L30 L48 Y50 L62 V66 V69 F81L30-L60 HydrophobicContact CD2-CD2 4.06Å; L48-L60 HydrophobicContact CB-CB 3.96Å; L48-L60 HydrophobicContact CB-CD2 4.09Å; L48-L60 HydrophobicContact CD1-CD2 3.82Å; L48-L60 WeakPolarHBondContact O-CB 3.4Å; L48-L60 PolarHBondContact O-N 3.37Å; Y50-L60 HydrophobicContact CD1-CB 4.28Å; Y50-L60 HydrophobicContact CE1-CB 4.47Å; L60-L62 PolarHBondContact O-N 3.38Å; L60-V66 HydrophobicContact CD2-CG2 4.39Å; L60-V69 HydrophobicContact CD1-CG1 3.91Å; L60-V69 HydrophobicContact CD1-CG2 3.92Å; L60-F81 HydrophobicContact CB-CD1 4.46Å; L60-F81 HydrophobicContact CB-CE1 4.2Å; L60-F81 HydrophobicContact CD1-CE1 4.02Å; L60-F81 HydrophobicContact CD2-CD1 4.27Å; L60-F81 HydrophobicContact CD2-CE1 3.88Å; L60-F81 HydrophobicContact CD2-CZ 4.42Å; L60-F81 HydrophobicContact CG-CE1 4.26Å
61K91.3Very high86.3Confident145 Ų14579 Ų7963%0.6340%0.398SS*.PPolyproline II helixtrans-75.5121.2173.9-64.8-177.4-179.5-179.50108.9W59 D63 K64W59-K61 PolarHBondContact O-N 3.14Å; K61-D63 PolarHBondContact O-N 3.48Å; K61-K64 HydrophobicContact CB-CB 4.17Å; K61-K64 HydrophobicContact CB-CG 3.84Å; K61-K64 HydrophobicContact CD-CG 4.28Å; K61-K64 PolarHBondContact O-N 3.23Å
62L90.5Very high85.3Confident63 Ų6379.1 Ų79.133%0.3340%0.396SS..THydrogen-bonded Turntrans-62.7-27.8-178.2-58.2-177.1000112.9K28 F31 L60 K64K28-L62 HydrophobicContact CB-CB 4.03Å; K28-L62 WeakPolarHBondContact CB-O 3.29Å; K28-L62 PolarHBondContact N-O 2.68Å; F31-L62 HydrophobicContact CB-CD2 3.73Å; F31-L62 HydrophobicContact CD2-CD2 4.42Å; F31-L62 HydrophobicContact CG-CD2 4Å; L60-L62 PolarHBondContact O-N 3.38Å; L62-K64 VanDerWaalsContact C-N 3.32Å
63D90.1Very high84.4Confident141 Ų14178.3 Ų78.375%0.75439%0.391SS*.THydrogen-bonded Turntrans-73.7-19.2177.1-172.5-107.9000113.6K61K61-D63 PolarHBondContact O-N 3.48Å
64K91.6Very high83.5Confident103 Ų10382 Ų8245%0.44840%0.401SS..SBendtrans-97154.6-176.1-63.4-65.6-178179.70111.7T26 G27 K61 L62 I68T26-K64 CarbonylContact C-O 3.58Å; T26-K64 WeakPolarHBondContact CA-O 3.26Å; G27-K64 PolarHBondContact N-O 2.73Å; K61-K64 HydrophobicContact CB-CB 4.17Å; K61-K64 HydrophobicContact CB-CG 3.84Å; K61-K64 HydrophobicContact CD-CG 4.28Å; K61-K64 PolarHBondContact O-N 3.23Å; L62-K64 VanDerWaalsContact C-N 3.32Å; K64-I68 HydrophobicContact CB-CD1 4.47Å; K64-I68 HydrophobicContact CD-CD1 4.45Å
65K91.4Very high82.6Confident104 Ų10483.3 Ų83.345%0.45241%0.406SS..BIsolated β-bridgetrans-71.3139.5172.7-60.8-176.2179.5178.50110.6V67 I68K65-V67 HydrophobicContact CB-CG2 3.94Å; K65-V67 HydrophobicContact CD-CG2 4.48Å; K65-V67 PolarHBondContact O-N 2.8Å; K65-I68 HydrophobicContact CB-CD1 3.97Å; K65-I68 HydrophobicContact CB-CG1 4.14Å; K65-I68 WeakPolarHBondContact O-CB 3.27Å; K65-I68 PolarHBondContact O-N 2.81Å; K65-I68 VanDerWaalsContact O-N 3.11Å
66V90.4Very high81.9Confident0 Ų085.4 Ų85.40%040%0.403CS..Hα-helixtrans-65.5-28.8179-1740000111.1V8 I21 T25 L30 L60 I68 V69 N70 L79 F81V8-V66 HydrophobicContact CG2-CG1 4.46Å; I21-V66 HydrophobicContact CD1-CB 3.45Å; I21-V66 VanDerWaalsContact CD1-CB 3.45Å; I21-V66 HydrophobicContact CD1-CG1 3.58Å; I21-V66 HydrophobicContact CD1-CG2 3.76Å; T25-V66 PolarHBondContact O-N 2.99Å; T25-V66 VanDerWaalsContact O-N 3.09Å; L30-V66 HydrophobicContact CB-CG2 4.02Å; L30-V66 HydrophobicContact CD2-CG1 4.08Å; L30-V66 HydrophobicContact CD2-CG2 3.87Å; L60-V66 HydrophobicContact CD2-CG2 4.39Å; V66-I68 PolarHBondContact O-N 2.92Å; V66-V69 HydrophobicContact CG1-CG2 4.21Å; V66-V69 WeakPolarHBondContact O-CG2 3.43Å; V66-V69 PolarHBondContact O-N 3.24Å; V66-N70 PolarHBondContact O-N 3.5Å; V66-L79 HydrophobicContact CG1-CD1 3.99Å; V66-F81 HydrophobicContact CG1-CE2 3.91Å; V66-F81 HydrophobicContact CG1-CZ 3.67Å
67V84.5Confident81.4Confident33 Ų3383 Ų8320%0.241%0.41CS..Hα-helixtrans-67.5-20.8176-630000114.5V6 S23 K65 N70V6-V67 HydrophobicContact CG2-CG1 3.89Å; S23-V67 VanDerWaalsContact O-CG2 3.27Å; S23-V67 WeakPolarHBondContact O-CG2 2.94Å; K65-V67 HydrophobicContact CB-CG2 3.94Å; K65-V67 HydrophobicContact CD-CG2 4.48Å; K65-V67 PolarHBondContact O-N 2.8Å; V67-N70 WeakPolarHBondContact O-CB 3.13Å; V67-N70 PolarHBondContact O-N 2.78Å
68I81.7Confident81.4Confident71 Ų7181 Ų8136%0.36440%0.398SS..Hα-helixtrans-65.3-47.7174.8-65.5164.9000108.3K64 K65 V66 N70 Q71 D72K64-I68 HydrophobicContact CB-CD1 4.47Å; K64-I68 HydrophobicContact CD-CD1 4.45Å; K65-I68 HydrophobicContact CB-CD1 3.97Å; K65-I68 HydrophobicContact CB-CG1 4.14Å; K65-I68 WeakPolarHBondContact O-CB 3.27Å; K65-I68 PolarHBondContact O-N 2.81Å; K65-I68 VanDerWaalsContact O-N 3.11Å; V66-I68 PolarHBondContact O-N 2.92Å; I68-N70 PolarHBondContact O-N 3.34Å; I68-Q71 WeakPolarHBondContact O-CB 2.87Å; I68-Q71 PolarHBondContact O-N 3.09Å; I68-D72 PolarHBondContact O-N 3.14Å
69V78.1Confident81.3Confident7 Ų778.5 Ų78.54%0.04238%0.383CS..Hα-helixtrans-66.6-23.3177.8-58.70000112.5Y50 L60 V66 Q71 D72 L73 F81Y50-V69 HydrophobicContact CD1-CG1 4.49Å; Y50-V69 HydrophobicContact CE1-CB 4.28Å; Y50-V69 HydrophobicContact CE1-CG1 3.68Å; Y50-V69 HydrophobicContact CE2-CB 4.08Å; Y50-V69 HydrophobicContact CE2-CG1 4.12Å; Y50-V69 VanDerWaalsContact CZ-CG1 3.45Å; Y50-V69 WeakPolarHBondContact OH-CG1 3.49Å; L60-V69 HydrophobicContact CD1-CG1 3.91Å; L60-V69 HydrophobicContact CD1-CG2 3.92Å; V66-V69 HydrophobicContact CG1-CG2 4.21Å; V66-V69 WeakPolarHBondContact O-CG2 3.43Å; V66-V69 PolarHBondContact O-N 3.24Å; V69-Q71 PolarHBondContact O-N 2.94Å; V69-D72 CarbonylContact O-C 3.53Å; V69-D72 PolarHBondContact O-N 2.88Å; V69-D72 VanDerWaalsContact O-N 3.15Å; V69-L73 VanDerWaalsContact O-CB 3.27Å; V69-L73 WeakPolarHBondContact O-CB 3.37Å; V69-L73 WeakPolarHBondContact O-CG 3.33Å; V69-L73 PolarHBondContact O-N 3.27Å; V69-F81 HydrophobicContact CG2-CE1 4.09Å; V69-F81 HydrophobicContact CG2-CZ 3.68Å
70N73.5Confident81.3Confident50 Ų5079 Ų7927%0.26739%0.389SS..Hα-helixtrans-61.9-31.3170.5-170.723.9000113.2V66 V67 I68 L79V66-N70 PolarHBondContact O-N 3.5Å; V67-N70 WeakPolarHBondContact O-CB 3.13Å; V67-N70 PolarHBondContact O-N 2.78Å; I68-N70 PolarHBondContact O-N 3.34Å; N70-L79 HydrophobicContact CB-CD1 3.93Å; N70-L79 HydrophobicContact CB-CD2 3.87Å; N70-L79 HydrophobicContact CB-CG 4.48Å; N70-L79 WeakPolarHBondContact OD1-CD2 3.4Å
71Q73.4Confident81.4Confident169 Ų16979 Ų7979%0.7939%0.389SS*.Hα-helixtrans-72.8-34.4174.6-59.8-175.3-76.800111.4I68 V69I68-Q71 WeakPolarHBondContact O-CB 2.87Å; I68-Q71 PolarHBondContact O-N 3.09Å; V69-Q71 PolarHBondContact O-N 2.94Å
72D67.9Low81.5Confident69 Ų6976.6 Ų76.637%0.36938%0.378SS..Hα-helixtrans-77.2-25.1175.8-63.1-70.1000113.1T53 I68 V69T53-D72 VanDerWaalsContact CB-O 3.26Å; T53-D72 WeakPolarHBondContact CB-O 3.27Å; T53-D72 WeakPolarHBondContact CG2-O 3.08Å; T53-D72 PolarHBondContact N-O 3.25Å; T53-D72 VanDerWaalsContact N-O 3.13Å; T53-D72 PolarHBondContact OG1-O 3.28Å; I68-D72 PolarHBondContact O-N 3.14Å; V69-D72 CarbonylContact O-C 3.53Å; V69-D72 PolarHBondContact O-N 2.88Å; V69-D72 VanDerWaalsContact O-N 3.15Å
73L66.3Low81.7Confident12 Ų1274.1 Ų74.16%0.06337%0.365CS..THydrogen-bonded Turntrans-80.1151.7174.3-72.8171.8000110.2Y50 T51 V69 K75 L79Y50-L73 HydrophobicContact CD2-CD1 4.46Å; Y50-L73 HydrophobicContact CD2-CD2 3.81Å; Y50-L73 HydrophobicContact CD2-CG 4.17Å; T51-L73 WeakPolarHBondContact O-CD2 3.47Å; V69-L73 VanDerWaalsContact O-CB 3.27Å; V69-L73 WeakPolarHBondContact O-CB 3.37Å; V69-L73 WeakPolarHBondContact O-CG 3.33Å; V69-L73 PolarHBondContact O-N 3.27Å; L73-K75 PolarHBondContact O-N 3.3Å; L73-L79 HydrophobicContact CB-CD2 4.32Å; L73-L79 HydrophobicContact CD1-CB 4.36Å; L73-L79 HydrophobicContact CD1-CD2 3.55Å; L73-L79 HydrophobicContact CD1-CG 4.41Å
74K64.4Low81.7Confident160 Ų16073.1 Ų73.170%0.69635%0.35SS*.THydrogen-bonded Turntrans-74.456.4-174.2-164.4179.8175.4-171.30111.7T53 E76T53-K74 HydrophobicContact CG2-CB 3.9Å; K74-E76 PolarHBondContact O-N 3.23Å
75K66.5Low81.5Confident189 Ų18969.2 Ų69.282%0.82234%0.338SS*.SBendtrans36.939.1-174.2-72.5-177.2177.9-178.80112.7L73 S77L73-K75 PolarHBondContact O-N 3.3Å; K75-S77 PolarHBondContact O-N 3.31Å
76E69.8Low81Confident94 Ų9468.7 Ų68.744%0.43934%0.335SS..  trans-81.2117.4177.6-89.7-171.979.300107.6K74 P78 L79K74-E76 PolarHBondContact O-N 3.23Å; E76-P78 CarbonylContact O-C 3.35Å; E76-L79 WeakPolarHBondContact O-CD2 3.4Å; E76-L79 PolarHBondContact O-N 2.74Å
77S77.5Confident80.3Confident113 Ų11375.3 Ų75.379%0.7937%0.365SS*.SBendtrans-118.3118.7174.5570000108.4K75K75-S77 PolarHBondContact O-N 3.31Å
78P86.7Confident79Confident39 Ų3982.1 Ų82.125%0.25339%0.388SS..SBendcis-73.9156.2331.2-35.6000113.7S7 R9 E76 Q80S7-P78 CarbonylContact O-C 3.6Å; S7-P78 WeakPolarHBondContact O-CA 3.42Å; R9-P78 HydrophobicContact CB-CB 4.13Å; R9-P78 HydrophobicContact CB-CG 3.94Å; E76-P78 CarbonylContact O-C 3.35Å; P78-Q80 PolarHBondContact O-N 2.87Å
79L89.2Confident77.4Confident1 Ų181.7 Ų81.71%0.00539%0.39CS..EExtended strand (participates in β ladder)trans-66.3124.5175.7-65.2179.4000110.7V6 S7 V8 R9 V66 N70 L73 E76 F81V6-L79 HydrophobicContact CG1-CD1 3.66Å; V6-L79 HydrophobicContact CG1-CG 4.01Å; S7-L79 PolarHBondContact O-N 2.83Å; V8-L79 CarbonylContact C-O 3.58Å; V8-L79 HydrophobicContact CG1-CB 4.44Å; V8-L79 HydrophobicContact CG2-CB 4.28Å; V8-L79 HydrophobicContact CG2-CD1 4.21Å; R9-L79 PolarHBondContact N-O 3.16Å; R9-L79 VanDerWaalsContact O-O 3.13Å; V66-L79 HydrophobicContact CG1-CD1 3.99Å; N70-L79 HydrophobicContact CB-CD1 3.93Å; N70-L79 HydrophobicContact CB-CD2 3.87Å; N70-L79 HydrophobicContact CB-CG 4.48Å; N70-L79 WeakPolarHBondContact OD1-CD2 3.4Å; L73-L79 HydrophobicContact CB-CD2 4.32Å; L73-L79 HydrophobicContact CD1-CB 4.36Å; L73-L79 HydrophobicContact CD1-CD2 3.55Å; L73-L79 HydrophobicContact CD1-CG 4.41Å; E76-L79 WeakPolarHBondContact O-CD2 3.4Å; E76-L79 PolarHBondContact O-N 2.74Å; L79-F81 HydrophobicContact CB-CD2 4.32Å; L79-F81 HydrophobicContact CB-CE2 3.68Å; L79-F81 HydrophobicContact CD1-CE2 4.22Å
80Q91.7Very high76.2Confident96 Ų9690 Ų9045%0.44943%0.428SS..EExtended strand (participates in β ladder)trans-91.2121.2-178.3-61-168.2-31.100112.3R9 P78R9-Q80 CarbonylContact O-C 3.5Å; R9-Q80 WeakPolarHBondContact O-CA 3.4Å; P78-Q80 PolarHBondContact O-N 2.87Å
81F93.7Very high74.9Confident1 Ų192.6 Ų92.60%0.00444%0.442CS..EExtended strand (participates in β ladder)trans-121.6152.8170-64.7-89.6000110.7V8 R9 V10 T11 L30 L48 Q49 Y50 L60 V66 V69 L79V8-F81 HydrophobicContact CG1-CD2 3.32Å; V8-F81 HydrophobicContact CG1-CE2 3.52Å; V8-F81 HydrophobicContact CG1-CG 4.49Å; R9-F81 PolarHBondContact O-N 3.45Å; V10-F81 CarbonylContact C-O 3.44Å; V10-F81 VanDerWaalsContact CA-O 3.32Å; V10-F81 WeakPolarHBondContact CA-O 3.42Å; V10-F81 HydrophobicContact CG2-CB 4.29Å; T11-F81 PolarHBondContact N-O 2.96Å; L30-F81 HydrophobicContact CD2-CD2 4.39Å; L30-F81 HydrophobicContact CD2-CE2 4.27Å; L48-F81 HydrophobicContact CB-CD1 4.22Å; L48-F81 HydrophobicContact CD2-CB 4.18Å; Q49-F81 CarbonylContact O-C 3.48Å; Q49-F81 WeakPolarHBondContact O-CA 3.39Å; Y50-F81 HydrophobicContact CD1-CD1 4.38Å; Y50-F81 AromaticContact CD1-CE1 3.94Å; Y50-F81 HydrophobicContact CD1-CE1 3.94Å; Y50-F81 HydrophobicContact CG-CD1 4.47Å; Y50-F81 HydrophobicContact CG-CE1 4.09Å; L60-F81 HydrophobicContact CB-CD1 4.46Å; L60-F81 HydrophobicContact CB-CE1 4.2Å; L60-F81 HydrophobicContact CD1-CE1 4.02Å; L60-F81 HydrophobicContact CD2-CD1 4.27Å; L60-F81 HydrophobicContact CD2-CE1 3.88Å; L60-F81 HydrophobicContact CD2-CZ 4.42Å; L60-F81 HydrophobicContact CG-CE1 4.26Å; V66-F81 HydrophobicContact CG1-CE2 3.91Å; V66-F81 HydrophobicContact CG1-CZ 3.67Å; V69-F81 HydrophobicContact CG2-CE1 4.09Å; V69-F81 HydrophobicContact CG2-CZ 3.68Å; L79-F81 HydrophobicContact CB-CD2 4.32Å; L79-F81 HydrophobicContact CB-CE2 3.68Å; L79-F81 HydrophobicContact CD1-CE2 4.22Å
82K93.3Very high73.9Confident93 Ų9389.3 Ų89.340%0.40443%0.433SS..EExtended strand (participates in β ladder)trans-116.4121.5173.6-65.8-179.4179.4176.40109.2T11 L48 Q49 R84T11-K82 CarbonylContact O-C 3.54Å; T11-K82 WeakPolarHBondContact O-CA 3.24Å; L48-K82 WeakPolarHBondContact CA-O 3.49Å; Q49-K82 HydrophobicContact CB-CB 4.38Å; Q49-K82 PolarHBondContact N-O 3.4Å; Q49-K82 PolarHBondContact O-N 3.22Å; K82-R84 HydrophobicContact CB-CG 4.41Å; K82-R84 PolarHBondContact O-N 2.89Å
83F93.3Very high73.1Confident11 Ų1190.3 Ų90.35%0.04845%0.446CS..EExtended strand (participates in β ladder)trans-80.5114.2173.4-172.8-96.2000108.9V10 T11 T12 F31 V34 V35 I38 L40 F46 L48V10-F83 HydrophobicContact CG1-CB 3.9Å; T11-F83 PolarHBondContact O-N 3.21Å; T12-F83 HydrophobicContact CG2-CB 4.07Å; F31-F83 HydrophobicContact CD2-CE2 4.24Å; F31-F83 HydrophobicContact CE2-CD2 4.4Å; F31-F83 AromaticContact CE2-CE2 3.65Å; F31-F83 HydrophobicContact CE2-CE2 3.65Å; F31-F83 HydrophobicContact CE2-CZ 4.49Å; F31-F83 HydrophobicContact CZ-CE2 4.35Å; V34-F83 HydrophobicContact CG1-CD2 3.59Å; V34-F83 HydrophobicContact CG1-CE2 3.96Å; V34-F83 HydrophobicContact CG1-CG 4.19Å; V35-F83 HydrophobicContact CG2-CE2 4.26Å; V35-F83 HydrophobicContact CG2-CZ 4.43Å; I38-F83 HydrophobicContact CD1-CD1 4.06Å; I38-F83 HydrophobicContact CD1-CE1 4.13Å; I38-F83 HydrophobicContact CD1-CG 4.26Å; I38-F83 HydrophobicContact CD1-CZ 4.38Å; L40-F83 HydrophobicContact CD1-CD1 4.5Å; L40-F83 HydrophobicContact CD1-CE1 3.35Å; L40-F83 HydrophobicContact CD1-CZ 3.55Å; F46-F83 HydrophobicContact CB-CE1 3.83Å; F46-F83 HydrophobicContact CB-CE2 3.8Å; F46-F83 HydrophobicContact CB-CZ 3.31Å; F46-F83 AromaticContact CD1-CD1 3.9Å; F46-F83 HydrophobicContact CD1-CD1 3.9Å; F46-F83 AromaticContact CD1-CE1 3.19Å; F46-F83 HydrophobicContact CD1-CE1 3.19Å; F46-F83 AromaticContact CD1-CZ 3.66Å; F46-F83 HydrophobicContact CD1-CZ 3.66Å; F46-F83 HydrophobicContact CD2-CE1 4.33Å; F46-F83 HydrophobicContact CD2-CZ 4.18Å; F46-F83 HydrophobicContact CE1-CD1 4.47Å; F46-F83 AromaticContact CE1-CE1 3.77Å; F46-F83 HydrophobicContact CE1-CE1 3.77Å; F46-F83 AromaticContact CG-CE1 3.52Å; F46-F83 HydrophobicContact CG-CE1 3.52Å; F46-F83 HydrophobicContact CG-CE2 4.4Å; F46-F83 AromaticContact CG-CZ 3.45Å; F46-F83 HydrophobicContact CG-CZ 3.45Å; F46-F83 VanDerWaalsContact CG-CZ 3.45Å; L48-F83 HydrophobicContact CD2-CB 4.26Å; L48-F83 HydrophobicContact CD2-CD2 4.01Å
84R91.1Very high72.2Confident120 Ų12097.5 Ų97.545%0.45348%0.479SS..EExtended strand (participates in β ladder)trans-142.4150.8-173.4-78-175.5167.8-164.9-7.1111.1F46 G47 W59 K82 K86F46-R84 CarbonylContact C-O 3.58Å; F46-R84 WeakPolarHBondContact CA-O 3.21Å; G47-R84 PolarHBondContact N-O 3.19Å; G47-R84 PolarHBondContact O-N 3.05Å; G47-R84 VanDerWaalsContact O-O 3.09Å; W59-R84 HydrophobicContact CH2-CB 4.19Å; W59-R84 HydrophobicContact CZ3-CB 4.48Å; K82-R84 HydrophobicContact CB-CG 4.41Å; K82-R84 PolarHBondContact O-N 2.89Å; R84-K86 PolarHBondContact O-N 2.87Å
85A87.3Confident71.2Confident22 Ų2297.1 Ų97.118%0.18248%0.48CS..EExtended strand (participates in β ladder)trans-67128.7169.800000110.6Y45 F46 W59Y45-A85 CarbonylContact O-C 3.38Å; Y45-A85 VanDerWaalsContact O-CA 3.23Å; Y45-A85 WeakPolarHBondContact O-CA 2.89Å; F46-A85 HydrophobicContact CD1-CB 4.24Å; F46-A85 HydrophobicContact CE1-CB 4.23Å; W59-A85 WeakPolarHBondContact CH2-O 3.26Å
86K81.7Confident70.3Confident92 Ų9294.1 Ų94.140%0.447%0.471SS..SBendtrans-78-50.2169-76.6-177.1173.9179.70110.9Y45 W59 R84Y45-K86 PolarHBondContact O-N 3.11Å; W59-K86 HydrophobicContact CD2-CD 4.35Å; W59-K86 HydrophobicContact CD2-CG 3.87Å; W59-K86 HydrophobicContact CE3-CD 4.1Å; W59-K86 HydrophobicContact CE3-CG 3.57Å; W59-K86 HydrophobicContact CH2-CB 3.97Å; W59-K86 HydrophobicContact CH2-CG 3.25Å; W59-K86 HydrophobicContact CZ2-CB 4.21Å; W59-K86 HydrophobicContact CZ2-CG 3.61Å; W59-K86 HydrophobicContact CZ3-CB 4.39Å; W59-K86 HydrophobicContact CZ3-CD 4.21Å; W59-K86 HydrophobicContact CZ3-CG 3.25Å; R84-K86 PolarHBondContact O-N 2.87Å
87F74.6Confident69.7Low140 Ų14095.9 Ų95.961%0.61448%0.482SS*.  trans-97.799.1176.2-78.1-87.8000106.6Y45Y45-F87 HydrophobicContact CD1-CB 3.72Å; Y45-F87 HydrophobicContact CE1-CB 4.5Å; Y45-F87 PolarHBondContact O-N 2.76Å
88Y57.7Low68.1Low175 Ų17599 Ų9969%0.68648%0.484SS*.  trans-70.5119.6141.4-65.9-90.5000103.4E90Y88-E90 VanDerWaalsContact C-N 3.35Å; Y88-E90 PolarHBondContact O-N 3.46Å
89P47.2Very low66.3Low62 Ų62104.8 Ų104.840%0.40351%0.513SS..  trans-55.8109.9165.924.4-31.1000106.2D91 V92P89-D91 PolarHBondContact O-N 3.15Å; P89-V92 HydrophobicContact CB-CG1 4.31Å; P89-V92 HydrophobicContact CG-CG1 3.86Å
90E52.6Low64.7Low181 Ų181110.9 Ų110.985%0.84655%0.55SS**G310 helixtrans-60.1-19.6163.5-74-172.981.400109.5Y88 V92 S93Y88-E90 VanDerWaalsContact C-N 3.35Å; Y88-E90 PolarHBondContact O-N 3.46Å; E90-V92 VanDerWaalsContact C-N 3.27Å; E90-V92 PolarHBondContact O-N 3.35Å; E90-V92 VanDerWaalsContact O-N 3.14Å; E90-S93 PolarHBondContact O-N 2.97Å
91D48.1Very low62.8Low105 Ų105111.6 Ų111.656%0.56156%0.561SS**G310 helixtrans-77.121.9176.2-106.4-72.6000116.8P89P89-D91 PolarHBondContact O-N 3.15Å
92V51.3Low60.6Low100 Ų100120.2 Ų120.261%0.60661%0.607SS**G310 helixtrans-99.3-3.1161.1-63.40000113P89 E90 I96P89-V92 HydrophobicContact CB-CG1 4.31Å; P89-V92 HydrophobicContact CG-CG1 3.86Å; E90-V92 VanDerWaalsContact C-N 3.27Å; E90-V92 PolarHBondContact O-N 3.35Å; E90-V92 VanDerWaalsContact O-N 3.14Å; V92-I96 WeakPolarHBondContact O-CG1 3.43Å
93S50.2Low58.6Low91 Ų91121.1 Ų121.164%0.63662%0.62SS**SBendtrans-102.4-18.3171.7-55.20000113.4E90 I96E90-S93 PolarHBondContact O-N 2.97Å; S93-I96 WeakPolarHBondContact O-CG1 3.42Å
94E48.1Very low56.7Low163 Ų163131.1 Ų131.176%0.76266%0.657SS**SBendtrans-101.3-11.4176.9-77.8-159.281.300114.7
95E44.4Very low54.9Low152 Ų152132.6 Ų132.671%0.7167%0.673SS**SBendtrans-102.918.2166.1-77.9-135.9104.100113.7I97E95-I97 PolarHBondContact O-N 2.82Å
96I46.3Very low53.4Low125 Ų125137.2 Ų137.264%0.64170%0.701SS**  trans-8070.8154.613-179.4000108.4V92 S93 Q98V92-I96 WeakPolarHBondContact O-CG1 3.43Å; S93-I96 WeakPolarHBondContact O-CG1 3.42Å; I96-Q98 PolarHBondContact O-N 3.03Å
97I57.6Low52.1Low132 Ų132140.4 Ų140.468%0.67772%0.715SS**  trans-89.224.1165.2-58.3166.7000109.7E95E95-I97 PolarHBondContact O-N 2.82Å
98Q44.1Very low50.5Low178 Ų178141.6 Ų141.683%0.83273%0.727SS**SBendtrans-12699172-73.4-173-19.600111.4I96 V100I96-Q98 PolarHBondContact O-N 3.03Å; Q98-V100 PolarHBondContact O-N 2.91Å
99D49.8Very low50.2Low161 Ų161139.3 Ų139.386%0.86173%0.731SS**  trans-12.2109.2162.9-82.9-100.7000116.3
100V55.6Low50.4Low128 Ų128142.3 Ų142.378%0.77675%0.748SS**  167.2117.9116.162.80000108.3Q98Q98-V100 PolarHBondContact O-N 2.91Å
101T51.2Low50.5Low111 Ų111140.2 Ų140.268%0.68175%0.747SS**  trans153.148.5140.4-51.30000110.9V103T101-V103 VanDerWaalsContact C-N 3.27Å; T101-V103 HydrophobicContact CG2-CG2 4.4Å; T101-V103 PolarHBondContact O-N 3.13Å; T101-V103 VanDerWaalsContact O-N 3.17Å
102L46.9Very low50.3Low183 Ų183139.9 Ų139.996%0.95875%0.753SS**  trans-7969.4159.3-71.7177.7000110.1
103V52.1Low50.1Low112 Ų112140.6 Ų140.668%0.67976%0.76SS**  trans-133.1-1.9-176.7-1480000117.2T101T101-V103 VanDerWaalsContact C-N 3.27Å; T101-V103 HydrophobicContact CG2-CG2 4.4Å; T101-V103 PolarHBondContact O-N 3.13Å; T101-V103 VanDerWaalsContact O-N 3.17Å
104R53.7Low49.9Very low220 Ų220142.5 Ų142.583%0.8377%0.772SS**SBendtrans-13326.1-172-58-140.6-159.4-112.94.9119.5
105L52.1Low49.6Very low151 Ų151139.8 Ų139.879%0.79177%0.768SS**  trans-131.271.7170.7-63.8166.9000113.3F107L105-F107 HydrophobicContact CD2-CE1 3.72Å; L105-F107 HydrophobicContact CD2-CZ 4.23Å; L105-F107 PolarHBondContact O-N 3.07Å
106P55.9Low49.6Very low120 Ų120140.4 Ų140.478%0.77978%0.776SS**  trans-91.646.617538.2-35.7000113.5
107F55.1Low49.9Very low158 Ų158143.1 Ų143.169%0.69381%0.806SS**  trans-139.760.4176.568.8-84.5000113.7L105L105-F107 HydrophobicContact CD2-CE1 3.72Å; L105-F107 HydrophobicContact CD2-CZ 4.23Å; L105-F107 PolarHBondContact O-N 3.07Å
108L40.9Very low49.5Very low165 Ų165143.7 Ų143.786%0.86481%0.812SS**  trans-127.967.8151.2-16268.3000109.3
109V51.3Low49.8Very low127 Ų127141.8 Ų141.877%0.7781%0.811SS**  trans-101.2134.6161-100.90000108.1
110V51.1Low49.8Very low125 Ų125140.8 Ų140.876%0.75881%0.808SS**  trans84.570.4168.7-169.80000115.8
111V54Low49.5Very low137 Ų137141.5 Ų141.583%0.8381%0.81SS**  trans-80.5104137.2-97.10000107
112S45Very low49.4Very low98 Ų98143.4 Ų143.469%0.68582%0.818SS**PPolyproline II helixtrans-60.3136.5-178.6-145.40000111.3
113P46Very low49.5Very low115 Ų115140.8 Ų140.875%0.74781%0.809SS**PPolyproline II helixtrans-76.7130.7178.929.2-31.7000111.5P115P113-P115 VanDerWaalsContact O-CD 3.31Å; P113-P115 WeakPolarHBondContact O-CD 3.31Å
114C46.2Very low49.3Very low132 Ų132142.9 Ų142.989%0.89282%0.818SS**PPolyproline II helixtrans-57.9124.7174.7-630000112.6
115P42.2Very low49Very low105 Ų105136.9 Ų136.968%0.68282%0.817SS**  trans-104.6154.3156.941-29.6000108.2P113P113-P115 VanDerWaalsContact O-CD 3.31Å; P113-P115 WeakPolarHBondContact O-CD 3.31Å
116L44.8Very low48.7Very low165 Ų165135.8 Ų135.886%0.86482%0.82SS**  cis-157.2149.123.4-110.1127.6000107
117S52.3Low48.1Very low182 Ų182137.2 Ų137.2100%1.27382%0.823SS**  trans-67.40160-175.30000111.9

Retrieved 117 of 117 residues in 52.2 ms (Link to these results)

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